HEADER IMMUNOGLOBULIN 13-JUN-83 2RHE 2RHE 3 COMPND BENCE-*JONES PROTEIN (LAMBDA, VARIABLE DOMAIN) 2RHE 4 SOURCE HUMAN (HOMO SAPIENS) MYELOMA PATIENT RHE URINE 2RHE 5 AUTHOR W.FUREY *JUNIOR,B.C.WANG,C.S.YOO,M.SAX 2RHE 6 REVDAT 3 09-OCT-88 2RHEB 1 FORMUL 2RHEB 1 REVDAT 2 30-SEP-83 2RHEA 1 REVDAT 2RHEA 1 REVDAT 1 15-SEP-83 2RHE 0 2RHEA 2 SPRSDE 15-SEP-83 2RHE 1RHE 2RHEA 3 JRNL AUTH W.FUREY *JUNIOR,B.C.WANG,C.S.YOO,M.SAX 2RHE 7 JRNL TITL STRUCTURE OF A NOVEL BENCE-*JONES PROTEIN (RHE) 2RHE 8 JRNL TITL 2 FRAGMENT AT 1.6 ANGSTROMS RESOLUTION 2RHE 9 JRNL REF J.MOL.BIOL. V. 167 661 1983 2RHE 10 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 070 2RHE 11 REMARK 1 2RHE 12 REMARK 1 REFERENCE 1 2RHE 13 REMARK 1 AUTH W.FUREY *JUNIOR,B.C.WANG,C.S.YOO,M.SAX 2RHE 14 REMARK 1 TITL PHASE EXTENSION AND REFINEMENT OF BENCE-*JONES 2RHE 15 REMARK 1 TITL 2 PROTEIN RHE (1.9 ANGSTROMS) 2RHE 16 REMARK 1 REF ACTA CRYSTALLOGR.,SECT.A V. 35 810 1979 2RHE 17 REMARK 1 REFN ASTM ACACBN DK ISSN 0567-7394 108 2RHE 18 REMARK 1 REFERENCE 2 2RHE 19 REMARK 1 AUTH B.-*C.WANG,C.S.YOO,M.SAX 2RHE 20 REMARK 1 TITL CRYSTAL STRUCTURE OF BENCE JONES PROTEIN RHE (3 2RHE 21 REMARK 1 TITL 2 ANGSTROMS) AND ITS UNIQUE DOMAIN-*DOMAIN 2RHE 22 REMARK 1 TITL 3 ASSOCIATION 2RHE 23 REMARK 1 REF J.MOL.BIOL. V. 129 657 1979 2RHE 24 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 2RHE 25 REMARK 1 REFERENCE 3 2RHE 26 REMARK 1 AUTH B.-*C.WANG,M.SAX 2RHE 27 REMARK 1 TITL STRUCTURE OF A DIMERIC FRAGMENT RELATED TO THE 2RHE 28 REMARK 1 TITL 2 LAMBDA-TYPE BENCE-*JONES PROTEIN. A PRELIMINARY 2RHE 29 REMARK 1 TITL 3 STUDY 2RHE 30 REMARK 1 REF J.MOL.BIOL. V. 87 505 1974 2RHE 31 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 2RHE 32 REMARK 2 2RHE 33 REMARK 2 RESOLUTION. 1.6 ANGSTROMS. 2RHE 34 REMARK 3 2RHE 35 REMARK 3 REFINEMENT. RESTRAINED RECIPROCAL SPACE REFINEMENT. THE 2RHE 36 REMARK 3 R-VALUE IS 0.149 FOR 12763 REFLECTIONS WITH D SPACINGS 2RHE 37 REMARK 3 BETWEEN 10.0 AND 1.6 ANGSTROMS RESOLUTION. THE RMS 2RHE 38 REMARK 3 DEVIATION FROM IDEALITY OF THE BOND LENGTHS IS 0.024 2RHE 39 REMARK 3 ANGSTROMS. THE RMS DEVIATION FROM PLANARITY FOR 2RHE 40 REMARK 3 APPROPRIATE GROUPS (INCLUDING PRPTIDE LINKS) IS 0.020 2RHE 41 REMARK 3 ANGSTROMS. 2RHE 42 REMARK 4 2RHE 43 REMARK 4 THE DIFFRACTOMETER DATA WERE COLLECTED BY THETA - 2 * THETA 2RHE 44 REMARK 4 SCANS. ALL DATA WERE COLLECTED FROM ONE CRYSTAL WITH A 2RHE 45 REMARK 4 MAXIMUM DECREASE OF 15 PER CENT IN STANDARD REFLECTION 2RHE 46 REMARK 4 INTENSITIES. 77 PER CENT OF ALL REFLECTIONS TO 1.6 2RHE 47 REMARK 4 ANGSTROMS RESOLUTION WERE OBSERVED WITH I.GT.3*SIGMA(I). 2RHE 48 REMARK 5 2RHE 49 REMARK 5 THIS MOLECULE EXISTS AS A DIMER BOTH IN SOLUTION AND IN THE 2RHE 50 REMARK 5 CRYSTALS, BUT THE TWO-FOLD AXIS OF DIMERIZATION IS ALIGNED 2RHE 51 REMARK 5 WITH THE CRYSTALLOGRAPHIC Z-AXIS. THUS THE ASYMMETRIC UNIT 2RHE 52 REMARK 5 CONTAINS ONLY A MONOMER. TO GENERATE THE INTACT DIMER, 2RHE 53 REMARK 5 APPLY THE OPERATION -X, -Y, Z TO THE COORDINATES BELOW. 2RHE 54 REMARK 6 2RHE 55 REMARK 6 ALTHOUGH THE CHEMICAL EVIDENCE INDICATES THAT RESIDUE 1 IS 2RHE 56 REMARK 6 PCA (PYROLLIDONE CARBOXYLIC ACID) WHICH IS A CYCLIZED 2RHE 57 REMARK 6 GLUTAMIC ACID, THE COORDINATES GIVEN BELOW ARE THOSE OF THE 2RHE 58 REMARK 6 UNCYCLIZED GLUTAMIC ACID (GLU) WHICH WAS USED IN THE 2RHE 59 REMARK 6 REFINEMENT PROCESS. ALMOST NO ELECTRON DENSITY WAS 2RHE 60 REMARK 6 OBSERVED FOR THIS RESIDUE IN THE CRYSTALLOGRAPHIC STUDY 2RHE 61 REMARK 6 INDICATING THAT THIS RESIDUE IS BADLY DISORDERED AND DOES 2RHE 62 REMARK 6 NOT PACK WELL INTO THE LATTICE. THEREFORE NO ATTEMPT WAS 2RHE 63 REMARK 6 MADE TO FIT A PCA GROUP TO THE DATA. THIS DISCREPANCY HAS 2RHE 64 REMARK 6 NO EFFECT ON THE REMAINDER OF THE STRUCTURE. 2RHE 65 REMARK 7 2RHE 66 REMARK 7 THE SOLVENT STRUCTURE HAS BEEN DETERMINED TO THE EXTENT 2RHE 67 REMARK 7 THAT 35 PER CENT OF ALL WATERS WERE FOUND AND REFINED. THE 2RHE 68 REMARK 7 FIRST 102 WATER SITES ARE FULLY OCCUPIED AND ARE BELIEVED 2RHE 69 REMARK 7 TO BE ACCURATELY PLACED. OCCUPANCIES WERE REFINED FOR THE 2RHE 70 REMARK 7 REMAINING WATER SITES, AND THEIR POSITIONS ARE LIKELY TO BE 2RHE 71 REMARK 7 KNOWN WITH LESS ACCURACY. ALL WATER SITES INCLUDED IN THIS 2RHE 72 REMARK 7 ENTRY ARE CHEMICALLY SENSIBLE IN THAT HYDROGEN BONDS ARE 2RHE 73 REMARK 7 FORMED TO SUITABLE DONORS OR ACCEPTORS AND NO BAD PACKING 2RHE 74 REMARK 7 CONTACTS ARE FORMED. WATERS 115, 117, 118, 121 AND 123 2RHE 75 REMARK 7 ARE PARTICULARLY SIGNIFICANT AND APPEAR TO BE INTEGRAL 2RHE 76 REMARK 7 PARTS OF THE PROTEIN STRUCTURE. 2RHE 77 REMARK 8 2RHEA 4 REMARK 8 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83. 2RHEA 5 REMARK 9 2RHEB 2 REMARK 9 CORRECTION. CORRECT FORMAT OF FORMUL RECORD. 09-OCT-88. 2RHEB 3 SEQRES 1 114 GLU SER VAL LEU THR GLN PRO PRO SER ALA SER GLY THR 2RHE 78 SEQRES 2 114 PRO GLY GLN ARG VAL THR ILE SER CYS THR GLY SER ALA 2RHE 79 SEQRES 3 114 THR ASP ILE GLY SER ASN SER VAL ILE TRP TYR GLN GLN 2RHE 80 SEQRES 4 114 VAL PRO GLY LYS ALA PRO LYS LEU LEU ILE TYR TYR ASN 2RHE 81 SEQRES 5 114 ASP LEU LEU PRO SER GLY VAL SER ASP ARG PHE SER ALA 2RHE 82 SEQRES 6 114 SER LYS SER GLY THR SER ALA SER LEU ALA ILE SER GLY 2RHE 83 SEQRES 7 114 LEU GLU SER GLU ASP GLU ALA ASP TYR TYR CYS ALA ALA 2RHE 84 SEQRES 8 114 TRP ASN ASP SER LEU ASP GLU PRO GLY PHE GLY GLY GLY 2RHE 85 SEQRES 9 114 THR LYS LEU THR VAL LEU GLY GLN PRO LYS 2RHE 86 FTNOTE 1 2RHE 87 FTNOTE 1 SEE REMARK 6. 2RHE 88 FTNOTE 2 2RHE 89 FTNOTE 2 THE SIDE CHAIN OF RESIDUE ILE 35 IS SLIGHTLY DISORDERED. 2RHE 90 FORMUL 2 HOH *186(H2 O1) 2RHEB 4 HELIX 1 A SER 25 ASN 32 1 NON-STANDARD TORSION ANGLES 2RHE 92 SHEET 1 A 3 GLY 15 GLY 24 0 2RHE 93 SHEET 2 A 3 THR 70 LEU 79 -1 O THR 70 N GLY 24 2RHE 94 SHEET 3 A 3 ARG 62 SER 68 -1 O ARG 62 N SER 77 2RHE 95 SHEET 1 B 4 LYS 46 ILE 49 0 2RHE 96 SHEET 2 B 4 ILE 35 GLN 39 -1 N TRP 36 O ILE 49 2RHE 97 SHEET 3 B 4 ALA 85 ALA 91 -1 O ASP 86 N GLN 39 2RHE 98 SHEET 4 B 4 GLY 100 LEU 107 -1 N GLY 100 O ALA 91 2RHE 99 TURN 1 A THR 13 GLN 16 2RHE 100 TURN 2 B VAL 40 LYS 43 2RHE 101 TURN 3 C TYR 51 ASP 53 GAMMA BEND 2RHE 102 TURN 4 D SER 60 PHE 63 2RHE 103 TURN 5 E SER 68 SER 71 2RHE 104 TURN 6 F GLU 80 ASP 83 2RHE 105 TURN 7 G ASN 93 LEU 96 2RHE 106 SSBOND 1 CYS 22 CYS 89 2RHE 107 CRYST1 54.630 52.220 42.620 90.00 90.00 90.00 P 21 21 2 4 2RHE 108 ORIGX1 1.000000 0.000000 0.000000 0.00000 2RHE 109 ORIGX2 0.000000 1.000000 0.000000 0.00000 2RHE 110 ORIGX3 0.000000 0.000000 1.000000 0.00000 2RHE 111 SCALE1 .018305 0.000000 0.000000 0.00000 2RHE 112 SCALE2 0.000000 .019150 0.000000 0.00000 2RHE 113 SCALE3 0.000000 0.000000 .023463 0.00000 2RHE 114 ATOM 1 N GLU 1 -15.930 3.280 12.250 1.00 50.18 1 2RHE 115 ATOM 2 CA GLU 1 -17.000 2.360 11.880 1.00 51.64 1 2RHE 116 ATOM 3 C GLU 1 -17.770 2.720 10.610 1.00 50.06 1 2RHE 117 ATOM 4 O GLU 1 -17.680 3.670 9.810 1.00 51.42 1 2RHE 118 ATOM 5 CB GLU 1 -17.990 2.180 13.040 1.00 54.84 1 2RHE 119 ATOM 6 CG GLU 1 -19.280 1.390 12.930 1.00 58.68 1 2RHE 120 ATOM 7 CD GLU 1 -20.490 2.200 12.510 1.00 61.66 1 2RHE 121 ATOM 8 OE1 GLU 1 -20.460 3.370 12.090 1.00 61.96 1 2RHE 122 ATOM 9 OE2 GLU 1 -21.560 1.520 12.560 1.00 63.51 1 2RHE 123 ATOM 10 N SER 2 -18.670 1.800 10.340 1.00 45.61 2RHE 124 ATOM 11 CA SER 2 -19.680 1.580 9.360 1.00 40.41 2RHE 125 ATOM 12 C SER 2 -19.000 1.320 8.030 1.00 33.98 2RHE 126 ATOM 13 O SER 2 -19.790 .740 7.250 1.00 36.62 2RHE 127 ATOM 14 CB SER 2 -20.990 2.310 9.300 1.00 44.00 2RHE 128 ATOM 15 OG SER 2 -21.360 3.380 8.440 1.00 46.28 2RHE 129 ATOM 16 N VAL 3 -17.700 1.620 7.900 1.00 23.49 2RHE 130 ATOM 17 CA VAL 3 -17.210 1.260 6.520 1.00 16.42 2RHE 131 ATOM 18 C VAL 3 -17.050 -.280 6.490 1.00 12.20 2RHE 132 ATOM 19 O VAL 3 -17.450 -.970 5.560 1.00 13.09 2RHE 133 ATOM 20 CB VAL 3 -16.090 2.160 6.100 1.00 17.75 2RHE 134 ATOM 21 CG1 VAL 3 -15.160 1.720 5.030 1.00 17.97 2RHE 135 ATOM 22 CG2 VAL 3 -16.700 3.550 5.790 1.00 18.56 2RHE 136 ATOM 23 N LEU 4 -16.400 -.720 7.570 1.00 9.01 2RHE 137 ATOM 24 CA LEU 4 -16.150 -2.180 7.720 1.00 8.29 2RHE 138 ATOM 25 C LEU 4 -17.110 -2.740 8.730 1.00 6.47 2RHE 139 ATOM 26 O LEU 4 -17.420 -2.050 9.730 1.00 12.65 2RHE 140 ATOM 27 CB LEU 4 -14.670 -2.300 8.150 1.00 6.36 2RHE 141 ATOM 28 CG LEU 4 -13.650 -1.710 7.200 1.00 6.59 2RHE 142 ATOM 29 CD1 LEU 4 -12.230 -2.140 7.660 1.00 8.30 2RHE 143 ATOM 30 CD2 LEU 4 -13.780 -2.110 5.760 1.00 9.32 2RHE 144 ATOM 31 N THR 5 -17.580 -4.000 8.570 1.00 8.40 2RHE 145 ATOM 32 CA THR 5 -18.520 -4.590 9.500 1.00 7.24 2RHE 146 ATOM 33 C THR 5 -17.820 -5.690 10.350 1.00 9.09 2RHE 147 ATOM 34 O THR 5 -17.300 -6.610 9.740 1.00 9.25 2RHE 148 ATOM 35 CB THR 5 -19.720 -5.240 8.760 1.00 10.96 2RHE 149 ATOM 36 OG1 THR 5 -20.230 -4.300 7.810 1.00 14.54 2RHE 150 ATOM 37 CG2 THR 5 -20.770 -5.710 9.740 1.00 14.64 2RHE 151 ATOM 38 N GLN 6 -17.930 -5.570 11.620 1.00 8.75 2RHE 152 ATOM 39 CA GLN 6 -17.430 -6.460 12.660 1.00 9.38 2RHE 153 ATOM 40 C GLN 6 -18.590 -6.780 13.600 1.00 10.01 2RHE 154 ATOM 41 O GLN 6 -19.380 -5.850 13.890 1.00 10.99 2RHE 155 ATOM 42 CB GLN 6 -16.360 -5.760 13.540 1.00 9.56 2RHE 156 ATOM 43 CG GLN 6 -15.090 -5.290 12.960 1.00 11.45 2RHE 157 ATOM 44 CD GLN 6 -14.150 -4.790 14.020 1.00 7.49 2RHE 158 ATOM 45 OE1 GLN 6 -13.750 -3.640 13.870 1.00 7.72 2RHE 159 ATOM 46 NE2 GLN 6 -13.760 -5.580 15.010 1.00 7.94 2RHE 160 ATOM 47 N PRO 7 -18.610 -7.980 14.190 1.00 8.80 2RHE 161 ATOM 48 CA PRO 7 -19.700 -8.270 15.140 1.00 10.89 2RHE 162 ATOM 49 C PRO 7 -19.470 -7.430 16.330 1.00 8.68 2RHE 163 ATOM 50 O PRO 7 -18.290 -7.170 16.740 1.00 8.90 2RHE 164 ATOM 51 CB PRO 7 -19.470 -9.730 15.570 1.00 10.42 2RHE 165 ATOM 52 CG PRO 7 -18.200 -10.140 14.960 1.00 13.02 2RHE 166 ATOM 53 CD PRO 7 -17.680 -9.110 13.930 1.00 11.14 2RHE 167 ATOM 54 N PRO 8 -20.450 -6.930 17.060 1.00 8.91 2RHE 168 ATOM 55 CA PRO 8 -20.260 -6.120 18.220 1.00 10.30 2RHE 169 ATOM 56 C PRO 8 -19.620 -6.760 19.450 1.00 8.30 2RHE 170 ATOM 57 O PRO 8 -18.920 -6.160 20.270 1.00 9.84 2RHE 171 ATOM 58 CB PRO 8 -21.680 -5.680 18.620 1.00 13.78 2RHE 172 ATOM 59 CG PRO 8 -22.420 -5.950 17.360 1.00 14.17 2RHE 173 ATOM 60 CD PRO 8 -21.880 -7.090 16.580 1.00 12.65 2RHE 174 ATOM 61 N SER 9 -19.850 -8.060 19.620 1.00 10.35 2RHE 175 ATOM 62 CA SER 9 -19.520 -8.920 20.730 1.00 9.68 2RHE 176 ATOM 63 C SER 9 -18.940 -10.260 20.300 1.00 7.09 2RHE 177 ATOM 64 O SER 9 -19.390 -10.770 19.290 1.00 9.15 2RHE 178 ATOM 65 CB SER 9 -20.940 -9.420 21.380 1.00 16.23 2RHE 179 ATOM 66 OG SER 9 -20.740 -8.460 22.350 1.00 23.31 2RHE 180 ATOM 67 N ALA 10 -18.030 -10.730 21.160 1.00 7.27 2RHE 181 ATOM 68 CA ALA 10 -17.460 -12.090 20.950 1.00 6.21 2RHE 182 ATOM 69 C ALA 10 -17.130 -12.590 22.330 1.00 6.21 2RHE 183 ATOM 70 O ALA 10 -16.840 -11.880 23.270 1.00 7.44 2RHE 184 ATOM 71 CB ALA 10 -16.340 -12.290 19.940 1.00 7.08 2RHE 185 ATOM 72 N SER 11 -17.280 -13.940 22.570 1.00 6.87 2RHE 186 ATOM 73 CA SER 11 -17.010 -14.520 23.890 1.00 6.07 2RHE 187 ATOM 74 C SER 11 -16.450 -15.950 23.710 1.00 5.04 2RHE 188 ATOM 75 O SER 11 -16.680 -16.590 22.700 1.00 7.06 2RHE 189 ATOM 76 CB SER 11 -18.100 -14.460 24.920 1.00 8.60 2RHE 190 ATOM 77 OG SER 11 -19.190 -15.300 24.450 1.00 6.73 2RHE 191 ATOM 78 N GLY 12 -15.720 -16.380 24.730 1.00 6.70 2RHE 192 ATOM 79 CA GLY 12 -15.150 -17.750 24.730 1.00 6.17 2RHE 193 ATOM 80 C GLY 12 -14.660 -18.070 26.130 1.00 5.26 2RHE 194 ATOM 81 O GLY 12 -14.500 -17.220 26.980 1.00 5.52 2RHE 195 ATOM 82 N THR 13 -14.310 -19.350 26.270 1.00 6.06 2RHE 196 ATOM 83 CA THR 13 -13.730 -19.910 27.510 1.00 7.33 2RHE 197 ATOM 84 C THR 13 -12.240 -20.090 27.310 1.00 4.48 2RHE 198 ATOM 85 O THR 13 -11.770 -20.190 26.180 1.00 6.44 2RHE 199 ATOM 86 CB THR 13 -14.560 -21.220 27.850 1.00 5.56 2RHE 200 ATOM 87 OG1 THR 13 -14.510 -22.120 26.710 1.00 6.66 2RHE 201 ATOM 88 CG2 THR 13 -16.010 -20.910 28.230 1.00 8.07 2RHE 202 ATOM 89 N PRO 14 -11.470 -20.100 28.400 1.00 7.50 2RHE 203 ATOM 90 CA PRO 14 -10.010 -20.250 28.360 1.00 7.91 2RHE 204 ATOM 91 C PRO 14 -9.560 -21.400 27.550 1.00 8.54 2RHE 205 ATOM 92 O PRO 14 -10.160 -22.460 27.740 1.00 10.60 2RHE 206 ATOM 93 CB PRO 14 -9.580 -20.300 29.820 1.00 9.92 2RHE 207 ATOM 94 CG PRO 14 -10.650 -19.560 30.550 1.00 9.57 2RHE 208 ATOM 95 CD PRO 14 -11.950 -19.980 29.770 1.00 9.78 2RHE 209 ATOM 96 N GLY 15 -8.660 -21.270 26.660 1.00 9.32 2RHE 210 ATOM 97 CA GLY 15 -8.110 -22.270 25.820 1.00 12.03 2RHE 211 ATOM 98 C GLY 15 -8.750 -22.390 24.470 1.00 13.38 2RHE 212 ATOM 99 O GLY 15 -8.170 -23.090 23.600 1.00 12.37 2RHE 213 ATOM 100 N GLN 16 -9.900 -21.750 24.220 1.00 9.72 2RHE 214 ATOM 101 CA GLN 16 -10.510 -21.800 22.910 1.00 9.40 2RHE 215 ATOM 102 C GLN 16 -9.820 -20.970 21.820 1.00 7.92 2RHE 216 ATOM 103 O GLN 16 -9.130 -20.060 22.220 1.00 10.46 2RHE 217 ATOM 104 CB GLN 16 -11.980 -21.240 22.980 1.00 8.80 2RHE 218 ATOM 105 CG GLN 16 -12.880 -22.150 23.690 1.00 10.90 2RHE 219 ATOM 106 CD GLN 16 -14.340 -21.820 23.370 1.00 11.11 2RHE 220 ATOM 107 OE1 GLN 16 -14.840 -20.730 23.710 1.00 10.68 2RHE 221 ATOM 108 NE2 GLN 16 -15.150 -22.750 22.780 1.00 10.21 2RHE 222 ATOM 109 N ARG 17 -10.080 -21.360 20.610 1.00 9.53 2RHE 223 ATOM 110 CA ARG 17 -9.550 -20.570 19.470 1.00 10.18 2RHE 224 ATOM 111 C ARG 17 -10.790 -19.750 19.040 1.00 13.11 2RHE 225 ATOM 112 O ARG 17 -11.790 -20.400 18.640 1.00 14.57 2RHE 226 ATOM 113 CB ARG 17 -9.140 -21.420 18.350 1.00 12.24 2RHE 227 ATOM 114 CG ARG 17 -8.700 -20.610 17.130 1.00 15.84 2RHE 228 ATOM 115 CD ARG 17 -8.330 -21.450 15.990 1.00 20.67 2RHE 229 ATOM 116 NE ARG 17 -8.450 -20.860 14.650 1.00 24.66 2RHE 230 ATOM 117 CZ ARG 17 -7.380 -20.430 14.000 1.00 29.61 2RHE 231 ATOM 118 NH1 ARG 17 -7.450 -20.030 12.710 1.00 31.18 2RHE 232 ATOM 119 NH2 ARG 17 -6.180 -20.370 14.640 1.00 32.35 2RHE 233 ATOM 120 N VAL 18 -10.820 -18.430 19.080 1.00 10.85 2RHE 234 ATOM 121 CA VAL 18 -11.970 -17.590 18.700 1.00 11.37 2RHE 235 ATOM 122 C VAL 18 -11.600 -16.770 17.440 1.00 12.66 2RHE 236 ATOM 123 O VAL 18 -10.410 -16.410 17.320 1.00 13.08 2RHE 237 ATOM 124 CB VAL 18 -12.360 -16.640 19.840 1.00 13.02 2RHE 238 ATOM 125 CG1 VAL 18 -13.510 -15.650 19.490 1.00 17.32 2RHE 239 ATOM 126 CG2 VAL 18 -12.800 -17.370 21.100 1.00 15.25 2RHE 240 ATOM 127 N THR 19 -12.550 -16.550 16.540 1.00 11.14 2RHE 241 ATOM 128 CA THR 19 -12.260 -15.770 15.340 1.00 11.24 2RHE 242 ATOM 129 C THR 19 -13.140 -14.520 15.340 1.00 11.92 2RHE 243 ATOM 130 O THR 19 -14.280 -14.600 15.880 1.00 12.89 2RHE 244 ATOM 131 CB THR 19 -12.410 -16.660 14.060 1.00 16.48 2RHE 245 ATOM 132 OG1 THR 19 -11.380 -17.720 14.180 1.00 19.41 2RHE 246 ATOM 133 CG2 THR 19 -11.960 -15.920 12.800 1.00 18.01 2RHE 247 ATOM 134 N ILE 20 -12.600 -13.420 14.800 1.00 9.13 2RHE 248 ATOM 135 CA ILE 20 -13.350 -12.150 14.690 1.00 8.76 2RHE 249 ATOM 136 C ILE 20 -13.370 -11.780 13.240 1.00 9.28 2RHE 250 ATOM 137 O ILE 20 -12.270 -11.670 12.690 1.00 9.01 2RHE 251 ATOM 138 CB ILE 20 -12.740 -11.050 15.600 1.00 10.02 2RHE 252 ATOM 139 CG1 ILE 20 -12.850 -11.400 17.080 1.00 11.52 2RHE 253 ATOM 140 CG2 ILE 20 -13.490 -9.660 15.420 1.00 14.34 2RHE 254 ATOM 141 CD1 ILE 20 -12.040 -10.380 17.990 1.00 15.48 2RHE 255 ATOM 142 N SER 21 -14.470 -11.610 12.540 1.00 7.28 2RHE 256 ATOM 143 CA SER 21 -14.540 -11.280 11.130 1.00 8.58 2RHE 257 ATOM 144 C SER 21 -14.680 -9.750 10.930 1.00 7.17 2RHE 258 ATOM 145 O SER 21 -15.100 -9.060 11.850 1.00 10.48 2RHE 259 ATOM 146 CB SER 21 -15.710 -12.000 10.450 1.00 13.54 2RHE 260 ATOM 147 OG SER 21 -16.870 -11.670 11.200 1.00 19.66 2RHE 261 ATOM 148 N CYS 22 -14.250 -9.400 9.760 1.00 7.35 2RHE 262 ATOM 149 CA CYS 22 -14.310 -7.970 9.340 1.00 6.95 2RHE 263 ATOM 150 C CYS 22 -14.620 -8.000 7.880 1.00 7.98 2RHE 264 ATOM 151 O CYS 22 -13.830 -8.520 7.060 1.00 9.66 2RHE 265 ATOM 152 CB CYS 22 -12.960 -7.390 9.740 1.00 8.90 2RHE 266 ATOM 153 SG CYS 22 -12.710 -5.680 9.080 1.00 10.23 2RHE 267 ATOM 154 N THR 23 -15.770 -7.420 7.490 1.00 8.93 2RHE 268 ATOM 155 CA THR 23 -16.190 -7.440 6.090 1.00 10.51 2RHE 269 ATOM 156 C THR 23 -16.240 -6.060 5.470 1.00 7.64 2RHE 270 ATOM 157 O THR 23 -16.670 -5.160 6.180 1.00 10.28 2RHE 271 ATOM 158 CB THR 23 -17.710 -7.960 6.050 1.00 11.88 2RHE 272 ATOM 159 OG1 THR 23 -17.730 -9.120 6.890 1.00 22.63 2RHE 273 ATOM 160 CG2 THR 23 -18.350 -8.150 4.680 1.00 14.32 2RHE 274 ATOM 161 N GLY 24 -15.810 -5.970 4.250 1.00 10.86 2RHE 275 ATOM 162 CA GLY 24 -15.730 -4.730 3.540 1.00 12.04 2RHE 276 ATOM 163 C GLY 24 -16.150 -4.820 2.080 1.00 12.30 2RHE 277 ATOM 164 O GLY 24 -17.050 -5.600 1.730 1.00 14.99 2RHE 278 ATOM 165 N SER 25 -15.420 -4.090 1.300 1.00 12.47 2RHE 279 ATOM 166 CA SER 25 -15.690 -4.020 -.140 1.00 13.86 2RHE 280 ATOM 167 C SER 25 -14.490 -3.980 -1.020 1.00 11.66 2RHE 281 ATOM 168 O SER 25 -13.380 -4.010 -.470 1.00 12.22 2RHE 282 ATOM 169 CB SER 25 -16.580 -2.770 -.430 1.00 15.93 2RHE 283 ATOM 170 OG SER 25 -15.790 -1.620 -.140 1.00 22.16 2RHE 284 ATOM 171 N ALA 26 -14.680 -3.930 -2.340 1.00 11.70 2RHE 285 ATOM 172 CA ALA 26 -13.580 -3.850 -3.300 1.00 13.45 2RHE 286 ATOM 173 C ALA 26 -12.620 -2.670 -3.070 1.00 14.44 2RHE 287 ATOM 174 O ALA 26 -11.400 -2.760 -3.270 1.00 17.76 2RHE 288 ATOM 175 CB ALA 26 -14.190 -3.700 -4.740 1.00 16.54 2RHE 289 ATOM 176 N THR 27 -13.160 -1.570 -2.580 1.00 15.67 2RHE 290 ATOM 177 CA THR 27 -12.370 -.330 -2.390 1.00 15.06 2RHE 291 ATOM 178 C THR 27 -11.560 -.300 -1.090 1.00 11.47 2RHE 292 ATOM 179 O THR 27 -10.640 .520 -1.080 1.00 12.70 2RHE 293 ATOM 180 CB THR 27 -13.340 .910 -2.480 1.00 18.80 2RHE 294 ATOM 181 OG1 THR 27 -14.250 .920 -1.360 1.00 20.69 2RHE 295 ATOM 182 CG2 THR 27 -14.170 .840 -3.760 1.00 22.31 2RHE 296 ATOM 183 N ASP 28 -11.850 -1.160 -.160 1.00 9.19 2RHE 297 ATOM 184 CA ASP 28 -11.030 -1.230 1.060 1.00 6.71 2RHE 298 ATOM 185 C ASP 28 -10.270 -2.560 1.160 1.00 8.56 2RHE 299 ATOM 186 O ASP 28 -9.210 -2.630 .570 1.00 10.59 2RHE 300 ATOM 187 CB ASP 28 -11.820 -.780 2.300 1.00 7.80 2RHE 301 ATOM 188 CG ASP 28 -13.220 -1.290 2.460 1.00 9.72 2RHE 302 ATOM 189 OD1 ASP 28 -14.200 -.480 2.540 1.00 13.52 2RHE 303 ATOM 190 OD2 ASP 28 -13.420 -2.560 2.450 1.00 11.36 2RHE 304 ATOM 191 N ILE 29 -10.830 -3.500 1.840 1.00 8.24 2RHE 305 ATOM 192 CA ILE 29 -10.220 -4.830 2.070 1.00 9.42 2RHE 306 ATOM 193 C ILE 29 -9.780 -5.530 .750 1.00 9.80 2RHE 307 ATOM 194 O ILE 29 -8.710 -6.130 .690 1.00 11.09 2RHE 308 ATOM 195 CB ILE 29 -11.110 -5.700 2.990 1.00 9.93 2RHE 309 ATOM 196 CG1 ILE 29 -11.350 -5.010 4.360 1.00 10.72 2RHE 310 ATOM 197 CG2 ILE 29 -10.410 -7.080 3.160 1.00 9.81 2RHE 311 ATOM 198 CD1 ILE 29 -12.190 -5.840 5.350 1.00 10.82 2RHE 312 ATOM 199 N GLY 30 -10.670 -5.400 -.190 1.00 10.05 2RHE 313 ATOM 200 CA GLY 30 -10.420 -5.950 -1.540 1.00 13.80 2RHE 314 ATOM 201 C GLY 30 -9.190 -5.530 -2.220 1.00 16.26 2RHE 315 ATOM 202 O GLY 30 -8.550 -6.280 -2.990 1.00 19.50 2RHE 316 ATOM 203 N SER 31 -8.680 -4.320 -2.040 1.00 14.55 2RHE 317 ATOM 204 CA SER 31 -7.540 -3.700 -2.660 1.00 14.69 2RHE 318 ATOM 205 C SER 31 -6.360 -3.240 -1.800 1.00 13.52 2RHE 319 ATOM 206 O SER 31 -5.300 -2.840 -2.350 1.00 15.10 2RHE 320 ATOM 207 CB SER 31 -8.150 -2.390 -3.240 1.00 16.92 2RHE 321 ATOM 208 OG SER 31 -9.120 -2.780 -4.200 1.00 23.65 2RHE 322 ATOM 209 N ASN 32 -6.570 -3.150 -.500 1.00 10.32 2RHE 323 ATOM 210 CA ASN 32 -5.610 -2.620 .430 1.00 10.64 2RHE 324 ATOM 211 C ASN 32 -5.450 -3.530 1.650 1.00 9.88 2RHE 325 ATOM 212 O ASN 32 -6.300 -4.370 1.960 1.00 10.77 2RHE 326 ATOM 213 CB ASN 32 -6.190 -1.220 .900 1.00 10.45 2RHE 327 ATOM 214 CG ASN 32 -6.280 -.270 -.310 1.00 11.98 2RHE 328 ATOM 215 OD1 ASN 32 -5.190 .040 -.820 1.00 16.42 2RHE 329 ATOM 216 ND2 ASN 32 -7.450 .150 -.760 1.00 10.41 2RHE 330 ATOM 217 N SER 33 -4.300 -3.330 2.230 1.00 10.43 2RHE 331 ATOM 218 CA SER 33 -3.850 -4.090 3.420 1.00 11.89 2RHE 332 ATOM 219 C SER 33 -4.690 -3.790 4.650 1.00 11.09 2RHE 333 ATOM 220 O SER 33 -5.030 -2.640 4.940 1.00 13.02 2RHE 334 ATOM 221 CB SER 33 -2.400 -3.790 3.700 1.00 13.82 2RHE 335 ATOM 222 OG SER 33 -1.560 -4.840 3.290 1.00 28.51 2RHE 336 ATOM 223 N VAL 34 -5.020 -4.860 5.390 1.00 7.07 2RHE 337 ATOM 224 CA VAL 34 -5.750 -4.760 6.640 1.00 5.44 2RHE 338 ATOM 225 C VAL 34 -4.790 -4.730 7.820 1.00 5.55 2RHE 339 ATOM 226 O VAL 34 -3.760 -5.400 7.900 1.00 6.77 2RHE 340 ATOM 227 CB VAL 34 -6.770 -5.910 6.770 1.00 7.57 2RHE 341 ATOM 228 CG1 VAL 34 -7.480 -5.960 8.110 1.00 7.65 2RHE 342 ATOM 229 CG2 VAL 34 -7.660 -5.940 5.510 1.00 7.10 2RHE 343 ATOM 230 N ILE 35 -5.140 -3.920 8.840 1.00 3.92 2 2RHE 344 ATOM 231 CA ILE 35 -4.470 -3.810 10.110 1.00 6.02 2 2RHE 345 ATOM 232 C ILE 35 -5.470 -4.210 11.150 1.00 4.93 2 2RHE 346 ATOM 233 O ILE 35 -6.670 -3.930 11.010 1.00 7.53 2 2RHE 347 ATOM 234 CB ILE 35 -3.990 -2.340 10.270 1.00 10.46 2 2RHE 348 ATOM 235 CG1 ILE 35 -2.830 -2.000 9.320 1.00 10.95 2 2RHE 349 ATOM 236 CG2 ILE 35 -4.290 -1.390 11.390 1.00 16.76 2 2RHE 350 ATOM 237 CD1 ILE 35 -2.720 -.390 9.180 1.00 19.33 2 2RHE 351 ATOM 238 N TRP 36 -5.030 -4.760 12.240 1.00 3.02 2RHE 352 ATOM 239 CA TRP 36 -5.820 -5.090 13.400 1.00 2.74 2RHE 353 ATOM 240 C TRP 36 -5.130 -4.490 14.620 1.00 4.20 2RHE 354 ATOM 241 O TRP 36 -3.900 -4.610 14.830 1.00 4.29 2RHE 355 ATOM 242 CB TRP 36 -6.090 -6.550 13.700 1.00 4.15 2RHE 356 ATOM 243 CG TRP 36 -6.850 -7.260 12.620 1.00 3.95 2RHE 357 ATOM 244 CD1 TRP 36 -6.390 -7.790 11.460 1.00 4.15 2RHE 358 ATOM 245 CD2 TRP 36 -8.270 -7.590 12.730 1.00 4.91 2RHE 359 ATOM 246 NE1 TRP 36 -7.410 -8.420 10.770 1.00 5.30 2RHE 360 ATOM 247 CE2 TRP 36 -8.530 -8.310 11.530 1.00 3.39 2RHE 361 ATOM 248 CE3 TRP 36 -9.230 -7.350 13.670 1.00 5.31 2RHE 362 ATOM 249 CZ2 TRP 36 -9.840 -8.820 11.290 1.00 5.80 2RHE 363 ATOM 250 CZ3 TRP 36 -10.500 -7.890 13.450 1.00 8.54 2RHE 364 ATOM 251 CH2 TRP 36 -10.800 -8.570 12.260 1.00 4.96 2RHE 365 ATOM 252 N TYR 37 -5.900 -3.910 15.510 1.00 2.56 2RHE 366 ATOM 253 CA TYR 37 -5.420 -3.350 16.760 1.00 4.15 2RHE 367 ATOM 254 C TYR 37 -6.390 -3.480 17.920 1.00 6.06 2RHE 368 ATOM 255 O TYR 37 -7.580 -3.640 17.670 1.00 6.36 2RHE 369 ATOM 256 CB TYR 37 -5.010 -1.870 16.570 1.00 5.25 2RHE 370 ATOM 257 CG TYR 37 -6.010 -.850 16.050 1.00 4.50 2RHE 371 ATOM 258 CD1 TYR 37 -6.100 -.470 14.720 1.00 7.23 2RHE 372 ATOM 259 CD2 TYR 37 -6.840 -.240 16.980 1.00 4.76 2RHE 373 ATOM 260 CE1 TYR 37 -7.060 .420 14.290 1.00 8.55 2RHE 374 ATOM 261 CE2 TYR 37 -7.780 .720 16.610 1.00 3.81 2RHE 375 ATOM 262 CZ TYR 37 -7.890 1.020 15.270 1.00 6.52 2RHE 376 ATOM 263 OH TYR 37 -8.770 2.020 14.900 1.00 8.67 2RHE 377 ATOM 264 N GLN 38 -5.900 -3.480 19.120 1.00 6.62 2RHE 378 ATOM 265 CA GLN 38 -6.670 -3.410 20.330 1.00 5.44 2RHE 379 ATOM 266 C GLN 38 -6.630 -1.920 20.770 1.00 5.77 2RHE 380 ATOM 267 O GLN 38 -5.610 -1.250 20.610 1.00 8.12 2RHE 381 ATOM 268 CB GLN 38 -6.010 -4.170 21.500 1.00 10.58 2RHE 382 ATOM 269 CG GLN 38 -6.000 -5.630 21.450 1.00 16.66 2RHE 383 ATOM 270 CD GLN 38 -5.440 -6.230 22.750 1.00 19.47 2RHE 384 ATOM 271 OE1 GLN 38 -4.890 -5.450 23.530 1.00 22.24 2RHE 385 ATOM 272 NE2 GLN 38 -5.610 -7.540 22.900 1.00 22.18 2RHE 386 ATOM 273 N GLN 39 -7.680 -1.390 21.350 1.00 6.83 2RHE 387 ATOM 274 CA GLN 39 -7.700 -.030 21.870 1.00 7.22 2RHE 388 ATOM 275 C GLN 39 -8.680 .200 23.010 1.00 8.82 2RHE 389 ATOM 276 O GLN 39 -9.800 -.280 22.950 1.00 9.93 2RHE 390 ATOM 277 CB GLN 39 -8.030 .940 20.790 1.00 8.93 2RHE 391 ATOM 278 CG GLN 39 -7.810 2.410 21.160 1.00 9.37 2RHE 392 ATOM 279 CD GLN 39 -8.430 3.410 20.260 1.00 11.81 2RHE 393 ATOM 280 OE1 GLN 39 -9.310 3.110 19.490 1.00 13.15 2RHE 394 ATOM 281 NE2 GLN 39 -7.960 4.660 20.380 1.00 15.17 2RHE 395 ATOM 282 N VAL 40 -8.170 .900 23.980 1.00 9.75 2RHE 396 ATOM 283 CA VAL 40 -9.080 1.480 25.050 1.00 14.82 2RHE 397 ATOM 284 C VAL 40 -9.390 2.860 24.460 1.00 16.32 2RHE 398 ATOM 285 O VAL 40 -8.450 3.560 24.060 1.00 15.57 2RHE 399 ATOM 286 CB VAL 40 -8.260 1.610 26.310 1.00 16.39 2RHE 400 ATOM 287 CG1 VAL 40 -9.140 2.420 27.320 1.00 16.74 2RHE 401 ATOM 288 CG2 VAL 40 -7.740 .320 26.880 1.00 14.97 2RHE 402 ATOM 289 N PRO 41 -10.620 3.320 24.340 1.00 18.20 2RHE 403 ATOM 290 CA PRO 41 -10.950 4.630 23.740 1.00 19.59 2RHE 404 ATOM 291 C PRO 41 -10.160 5.740 24.480 1.00 18.23 2RHE 405 ATOM 292 O PRO 41 -9.910 5.730 25.690 1.00 18.21 2RHE 406 ATOM 293 CB PRO 41 -12.480 4.730 23.750 1.00 21.80 2RHE 407 ATOM 294 CG PRO 41 -12.870 3.280 23.950 1.00 20.50 2RHE 408 ATOM 295 CD PRO 41 -11.800 2.570 24.820 1.00 18.50 2RHE 409 ATOM 296 N GLY 42 -9.640 6.660 23.650 1.00 18.33 2RHE 410 ATOM 297 CA GLY 42 -8.820 7.760 24.110 1.00 19.87 2RHE 411 ATOM 298 C GLY 42 -7.360 7.470 24.410 1.00 19.33 2RHE 412 ATOM 299 O GLY 42 -6.610 8.240 25.050 1.00 20.90 2RHE 413 ATOM 300 N LYS 43 -6.900 6.280 24.030 1.00 16.62 2RHE 414 ATOM 301 CA LYS 43 -5.500 5.860 24.240 1.00 15.37 2RHE 415 ATOM 302 C LYS 43 -5.050 5.370 22.860 1.00 12.65 2RHE 416 ATOM 303 O LYS 43 -5.890 4.930 22.060 1.00 12.75 2RHE 417 ATOM 304 CB LYS 43 -5.300 4.810 25.330 1.00 16.47 2RHE 418 ATOM 305 CG LYS 43 -5.880 5.440 26.620 1.00 21.91 2RHE 419 ATOM 306 CD LYS 43 -5.380 4.630 27.780 1.00 27.54 2RHE 420 ATOM 307 CE LYS 43 -5.690 5.340 29.100 1.00 29.67 2RHE 421 ATOM 308 NZ LYS 43 -4.820 6.570 29.210 1.00 33.81 2RHE 422 ATOM 309 N ALA 44 -3.740 5.420 22.660 1.00 12.20 2RHE 423 ATOM 310 CA ALA 44 -3.150 4.980 21.410 1.00 9.95 2RHE 424 ATOM 311 C ALA 44 -3.400 3.450 21.240 1.00 8.11 2RHE 425 ATOM 312 O ALA 44 -3.430 2.770 22.260 1.00 9.18 2RHE 426 ATOM 313 CB ALA 44 -1.650 5.300 21.460 1.00 11.35 2RHE 427 ATOM 314 N PRO 45 -3.590 3.070 20.020 1.00 8.09 2RHE 428 ATOM 315 CA PRO 45 -3.830 1.640 19.680 1.00 5.51 2RHE 429 ATOM 316 C PRO 45 -2.590 .740 19.880 1.00 6.83 2RHE 430 ATOM 317 O PRO 45 -1.470 1.200 19.670 1.00 6.36 2RHE 431 ATOM 318 CB PRO 45 -4.170 1.700 18.240 1.00 8.14 2RHE 432 ATOM 319 CG PRO 45 -4.370 3.110 17.790 1.00 9.13 2RHE 433 ATOM 320 CD PRO 45 -3.580 3.860 18.790 1.00 6.75 2RHE 434 ATOM 321 N LYS 46 -2.910 -.490 20.240 1.00 6.19 2RHE 435 ATOM 322 CA LYS 46 -1.810 -1.520 20.390 1.00 6.80 2RHE 436 ATOM 323 C LYS 46 -1.940 -2.280 19.090 1.00 5.86 2RHE 437 ATOM 324 O LYS 46 -2.960 -2.980 18.870 1.00 5.32 2RHE 438 ATOM 325 CB LYS 46 -1.950 -2.360 21.630 1.00 11.70 2RHE 439 ATOM 326 CG LYS 46 -1.530 -1.690 22.920 1.00 20.24 2RHE 440 ATOM 327 CD LYS 46 -.660 -1.900 24.100 1.00 24.95 2RHE 441 ATOM 328 CE LYS 46 .830 -1.550 24.060 1.00 26.25 2RHE 442 ATOM 329 NZ LYS 46 1.750 -2.680 24.500 1.00 23.11 2RHE 443 ATOM 330 N LEU 47 -.930 -2.270 18.230 1.00 5.23 2RHE 444 ATOM 331 CA LEU 47 -.990 -2.970 16.960 1.00 4.89 2RHE 445 ATOM 332 C LEU 47 -.740 -4.430 17.050 1.00 5.26 2RHE 446 ATOM 333 O LEU 47 .300 -4.840 17.640 1.00 7.89 2RHE 447 ATOM 334 CB LEU 47 .120 -2.300 16.100 1.00 7.16 2RHE 448 ATOM 335 CG LEU 47 .170 -2.680 14.670 1.00 8.02 2RHE 449 ATOM 336 CD1 LEU 47 -1.100 -2.260 13.910 1.00 9.12 2RHE 450 ATOM 337 CD2 LEU 47 1.470 -2.190 14.100 1.00 12.44 2RHE 451 ATOM 338 N LEU 48 -1.650 -5.230 16.500 1.00 6.34 2RHE 452 ATOM 339 CA LEU 48 -1.580 -6.680 16.520 1.00 6.17 2RHE 453 ATOM 340 C LEU 48 -1.240 -7.310 15.210 1.00 4.14 2RHE 454 ATOM 341 O LEU 48 -.470 -8.330 15.250 1.00 6.49 2RHE 455 ATOM 342 CB LEU 48 -2.930 -7.200 17.070 1.00 6.17 2RHE 456 ATOM 343 CG LEU 48 -3.310 -6.850 18.470 1.00 11.81 2RHE 457 ATOM 344 CD1 LEU 48 -4.730 -7.480 18.600 1.00 15.32 2RHE 458 ATOM 345 CD2 LEU 48 -2.440 -7.240 19.610 1.00 12.79 2RHE 459 ATOM 346 N ILE 49 -1.740 -6.850 14.110 1.00 2.00 2RHE 460 ATOM 347 CA ILE 49 -1.540 -7.370 12.790 1.00 6.18 2RHE 461 ATOM 348 C ILE 49 -1.380 -6.230 11.830 1.00 5.49 2RHE 462 ATOM 349 O ILE 49 -2.120 -5.200 11.890 1.00 5.38 2RHE 463 ATOM 350 CB ILE 49 -2.800 -8.200 12.270 1.00 5.56 2RHE 464 ATOM 351 CG1 ILE 49 -3.090 -9.410 13.220 1.00 6.36 2RHE 465 ATOM 352 CG2 ILE 49 -2.650 -8.580 10.760 1.00 6.65 2RHE 466 ATOM 353 CD1 ILE 49 -2.040 -10.590 13.120 1.00 7.31 2RHE 467 ATOM 354 N TYR 50 -.430 -6.360 10.900 1.00 6.16 2RHE 468 ATOM 355 CA TYR 50 -.270 -5.410 9.810 1.00 4.91 2RHE 469 ATOM 356 C TYR 50 -.090 -6.090 8.540 1.00 2.88 2RHE 470 ATOM 357 O TYR 50 .290 -7.310 8.570 1.00 5.73 2RHE 471 ATOM 358 CB TYR 50 .720 -4.270 10.070 1.00 5.60 2RHE 472 ATOM 359 CG TYR 50 2.120 -4.600 10.440 1.00 7.70 2RHE 473 ATOM 360 CD1 TYR 50 2.640 -5.880 10.410 1.00 7.04 2RHE 474 ATOM 361 CD2 TYR 50 3.020 -3.580 10.850 1.00 9.62 2RHE 475 ATOM 362 CE1 TYR 50 3.960 -6.180 10.730 1.00 7.80 2RHE 476 ATOM 363 CE2 TYR 50 4.320 -3.810 11.190 1.00 9.65 2RHE 477 ATOM 364 CZ TYR 50 4.760 -5.130 11.190 1.00 9.82 2RHE 478 ATOM 365 OH TYR 50 6.060 -5.360 11.510 1.00 9.17 2RHE 479 ATOM 366 N TYR 51 -.280 -5.490 7.390 1.00 4.27 2RHE 480 ATOM 367 CA TYR 51 -.070 -6.080 6.050 1.00 7.28 2RHE 481 ATOM 368 C TYR 51 -.860 -7.370 5.900 1.00 8.18 2RHE 482 ATOM 369 O TYR 51 -.290 -8.380 5.410 1.00 7.11 2RHE 483 ATOM 370 CB TYR 51 1.440 -6.240 5.750 1.00 9.00 2RHE 484 ATOM 371 CG TYR 51 2.230 -4.960 5.890 1.00 7.45 2RHE 485 ATOM 372 CD1 TYR 51 2.070 -3.950 4.960 1.00 9.49 2RHE 486 ATOM 373 CD2 TYR 51 3.030 -4.680 6.960 1.00 8.56 2RHE 487 ATOM 374 CE1 TYR 51 2.780 -2.750 5.060 1.00 9.25 2RHE 488 ATOM 375 CE2 TYR 51 3.770 -3.510 7.110 1.00 8.96 2RHE 489 ATOM 376 CZ TYR 51 3.580 -2.540 6.150 1.00 8.19 2RHE 490 ATOM 377 OH TYR 51 4.310 -1.380 6.250 1.00 11.12 2RHE 491 ATOM 378 N ASN 52 -2.080 -7.360 6.310 1.00 6.86 2RHE 492 ATOM 379 CA ASN 52 -3.060 -8.430 6.260 1.00 8.37 2RHE 493 ATOM 380 C ASN 52 -2.810 -9.590 7.210 1.00 7.80 2RHE 494 ATOM 381 O ASN 52 -3.780 -10.020 7.850 1.00 8.06 2RHE 495 ATOM 382 CB ASN 52 -3.240 -9.050 4.850 1.00 9.02 2RHE 496 ATOM 383 CG ASN 52 -3.580 -8.110 3.710 1.00 10.79 2RHE 497 ATOM 384 OD1 ASN 52 -4.530 -7.350 4.040 1.00 12.36 2RHE 498 ATOM 385 ND2 ASN 52 -2.990 -8.200 2.520 1.00 12.29 2RHE 499 ATOM 386 N ASP 53 -1.600 -10.070 7.280 1.00 6.47 2RHE 500 ATOM 387 CA ASP 53 -1.310 -11.300 8.040 1.00 8.41 2RHE 501 ATOM 388 C ASP 53 -.020 -11.330 8.750 1.00 8.61 2RHE 502 ATOM 389 O ASP 53 .360 -12.430 9.240 1.00 10.01 2RHE 503 ATOM 390 CB ASP 53 -1.650 -12.500 7.110 1.00 11.10 2RHE 504 ATOM 391 CG ASP 53 -.690 -12.480 5.980 1.00 14.52 2RHE 505 ATOM 392 OD1 ASP 53 .340 -11.850 5.900 1.00 15.62 2RHE 506 ATOM 393 OD2 ASP 53 -.910 -13.270 5.030 1.00 22.26 2RHE 507 ATOM 394 N LEU 54 .740 -10.270 8.910 1.00 5.46 2RHE 508 ATOM 395 CA LEU 54 2.010 -10.260 9.590 1.00 7.38 2RHE 509 ATOM 396 C LEU 54 1.940 -9.750 10.990 1.00 5.37 2RHE 510 ATOM 397 O LEU 54 1.180 -8.880 11.300 1.00 7.52 2RHE 511 ATOM 398 CB LEU 54 3.060 -9.490 8.760 1.00 6.27 2RHE 512 ATOM 399 CG LEU 54 3.330 -9.850 7.340 1.00 9.04 2RHE 513 ATOM 400 CD1 LEU 54 4.400 -8.920 6.770 1.00 10.81 2RHE 514 ATOM 401 CD2 LEU 54 3.730 -11.330 7.250 1.00 10.76 2RHE 515 ATOM 402 N LEU 55 2.710 -10.400 11.870 1.00 7.26 2RHE 516 ATOM 403 CA LEU 55 2.830 -10.020 13.260 1.00 6.99 2RHE 517 ATOM 404 C LEU 55 3.960 -9.000 13.460 1.00 6.94 2RHE 518 ATOM 405 O LEU 55 5.090 -9.290 13.040 1.00 8.66 2RHE 519 ATOM 406 CB LEU 55 3.090 -11.270 14.130 1.00 8.57 2RHE 520 ATOM 407 CG LEU 55 1.990 -12.150 14.700 1.00 13.71 2RHE 521 ATOM 408 CD1 LEU 55 .910 -12.430 13.750 1.00 17.05 2RHE 522 ATOM 409 CD2 LEU 55 2.580 -13.360 15.460 1.00 13.33 2RHE 523 ATOM 410 N PRO 56 3.640 -7.890 14.070 1.00 9.13 2RHE 524 ATOM 411 CA PRO 56 4.660 -6.910 14.450 1.00 8.61 2RHE 525 ATOM 412 C PRO 56 5.510 -7.500 15.580 1.00 7.47 2RHE 526 ATOM 413 O PRO 56 5.150 -8.480 16.260 1.00 6.60 2RHE 527 ATOM 414 CB PRO 56 3.840 -5.810 15.130 1.00 10.73 2RHE 528 ATOM 415 CG PRO 56 2.490 -5.930 14.530 1.00 11.61 2RHE 529 ATOM 416 CD PRO 56 2.290 -7.460 14.530 1.00 9.71 2RHE 530 ATOM 417 N SER 57 6.630 -6.820 15.960 1.00 7.68 2RHE 531 ATOM 418 CA SER 57 7.500 -7.150 17.070 1.00 8.53 2RHE 532 ATOM 419 C SER 57 6.770 -7.220 18.400 1.00 9.13 2RHE 533 ATOM 420 O SER 57 5.880 -6.350 18.620 1.00 8.38 2RHE 534 ATOM 421 CB SER 57 8.850 -6.330 17.520 1.00 11.41 2RHE 535 ATOM 422 OG SER 57 8.350 -5.230 16.920 1.00 18.02 2RHE 536 ATOM 423 N GLY 58 7.090 -8.120 19.270 1.00 7.74 2RHE 537 ATOM 424 CA GLY 58 6.490 -8.180 20.600 1.00 8.27 2RHE 538 ATOM 425 C GLY 58 5.120 -8.800 20.630 1.00 10.55 2RHE 539 ATOM 426 O GLY 58 4.670 -8.940 21.750 1.00 12.28 2RHE 540 ATOM 427 N VAL 59 4.530 -9.130 19.520 1.00 8.34 2RHE 541 ATOM 428 CA VAL 59 3.140 -9.700 19.590 1.00 7.40 2RHE 542 ATOM 429 C VAL 59 3.200 -11.230 19.700 1.00 5.44 2RHE 543 ATOM 430 O VAL 59 3.950 -11.910 18.980 1.00 7.22 2RHE 544 ATOM 431 CB VAL 59 2.370 -9.170 18.370 1.00 6.13 2RHE 545 ATOM 432 CG1 VAL 59 1.010 -9.930 18.250 1.00 10.45 2RHE 546 ATOM 433 CG2 VAL 59 2.170 -7.660 18.320 1.00 8.95 2RHE 547 ATOM 434 N SER 60 2.400 -11.790 20.580 1.00 9.30 2RHE 548 ATOM 435 CA SER 60 2.300 -13.220 20.810 1.00 11.83 2RHE 549 ATOM 436 C SER 60 1.940 -14.010 19.540 1.00 12.24 2RHE 550 ATOM 437 O SER 60 1.060 -13.540 18.780 1.00 10.43 2RHE 551 ATOM 438 CB SER 60 1.170 -13.450 21.830 1.00 14.73 2RHE 552 ATOM 439 OG SER 60 .970 -14.820 22.070 1.00 16.88 2RHE 553 ATOM 440 N ASP 61 2.550 -15.140 19.340 1.00 12.54 2RHE 554 ATOM 441 CA ASP 61 2.200 -16.000 18.230 1.00 13.53 2RHE 555 ATOM 442 C ASP 61 .810 -16.700 18.380 1.00 10.77 2RHE 556 ATOM 443 O ASP 61 .450 -17.420 17.450 1.00 13.10 2RHE 557 ATOM 444 CB ASP 61 3.290 -16.900 17.680 1.00 19.83 2RHE 558 ATOM 445 CG ASP 61 3.570 -17.920 18.720 1.00 23.94 2RHE 559 ATOM 446 OD1 ASP 61 3.060 -17.890 19.850 1.00 28.22 2RHE 560 ATOM 447 OD2 ASP 61 4.420 -18.720 18.210 1.00 29.44 2RHE 561 ATOM 448 N ARG 62 .090 -16.410 19.440 1.00 10.00 2RHE 562 ATOM 449 CA ARG 62 -1.290 -16.910 19.600 1.00 9.34 2RHE 563 ATOM 450 C ARG 62 -2.160 -16.160 18.610 1.00 11.16 2RHE 564 ATOM 451 O ARG 62 -3.280 -16.670 18.360 1.00 11.41 2RHE 565 ATOM 452 CB ARG 62 -1.810 -16.720 21.010 1.00 11.04 2RHE 566 ATOM 453 CG ARG 62 -1.080 -17.630 22.030 1.00 12.94 2RHE 567 ATOM 454 CD ARG 62 -1.510 -17.580 23.450 1.00 12.59 2RHE 568 ATOM 455 NE ARG 62 -1.750 -16.270 23.910 1.00 14.53 2RHE 569 ATOM 456 CZ ARG 62 -2.740 -15.420 24.040 1.00 14.12 2RHE 570 ATOM 457 NH1 ARG 62 -4.000 -15.840 23.640 1.00 13.41 2RHE 571 ATOM 458 NH2 ARG 62 -2.550 -14.290 24.670 1.00 15.81 2RHE 572 ATOM 459 N PHE 63 -1.700 -15.000 18.110 1.00 6.96 2RHE 573 ATOM 460 CA PHE 63 -2.490 -14.250 17.170 1.00 8.64 2RHE 574 ATOM 461 C PHE 63 -2.170 -14.560 15.740 1.00 8.67 2RHE 575 ATOM 462 O PHE 63 -.940 -14.730 15.400 1.00 9.79 2RHE 576 ATOM 463 CB PHE 63 -2.430 -12.720 17.420 1.00 8.48 2RHE 577 ATOM 464 CG PHE 63 -2.960 -12.220 18.710 1.00 9.15 2RHE 578 ATOM 465 CD1 PHE 63 -4.270 -11.870 18.860 1.00 12.24 2RHE 579 ATOM 466 CD2 PHE 63 -2.140 -12.150 19.800 1.00 12.60 2RHE 580 ATOM 467 CE1 PHE 63 -4.810 -11.440 20.050 1.00 13.37 2RHE 581 ATOM 468 CE2 PHE 63 -2.630 -11.720 21.050 1.00 15.43 2RHE 582 ATOM 469 CZ PHE 63 -3.990 -11.390 21.160 1.00 13.58 2RHE 583 ATOM 470 N SER 64 -3.160 -14.620 14.850 1.00 9.64 2RHE 584 ATOM 471 CA SER 64 -2.940 -14.840 13.440 1.00 8.92 2RHE 585 ATOM 472 C SER 64 -4.080 -14.130 12.690 1.00 8.15 2RHE 586 ATOM 473 O SER 64 -5.100 -13.870 13.300 1.00 7.83 2RHE 587 ATOM 474 CB SER 64 -2.830 -16.290 12.890 1.00 12.74 2RHE 588 ATOM 475 OG SER 64 -3.930 -17.030 13.410 1.00 10.60 2RHE 589 ATOM 476 N ALA 65 -3.900 -13.930 11.400 1.00 8.57 2RHE 590 ATOM 477 CA ALA 65 -4.910 -13.290 10.600 1.00 8.65 2RHE 591 ATOM 478 C ALA 65 -4.830 -13.740 9.180 1.00 8.53 2RHE 592 ATOM 479 O ALA 65 -3.870 -14.280 8.700 1.00 12.28 2RHE 593 ATOM 480 CB ALA 65 -4.910 -11.750 10.710 1.00 9.02 2RHE 594 ATOM 481 N SER 66 -5.920 -13.550 8.470 1.00 10.03 2RHE 595 ATOM 482 CA SER 66 -6.040 -13.850 7.040 1.00 10.47 2RHE 596 ATOM 483 C SER 66 -7.040 -12.890 6.380 1.00 11.46 2RHE 597 ATOM 484 O SER 66 -7.850 -12.190 7.010 1.00 9.88 2RHE 598 ATOM 485 CB SER 66 -6.550 -15.290 6.860 1.00 15.08 2RHE 599 ATOM 486 OG SER 66 -7.770 -15.510 7.380 1.00 18.52 2RHE 600 ATOM 487 N LYS 67 -6.900 -12.830 5.060 1.00 11.19 2RHE 601 ATOM 488 CA LYS 67 -7.720 -12.000 4.200 1.00 14.70 2RHE 602 ATOM 489 C LYS 67 -8.010 -12.800 2.920 1.00 17.39 2RHE 603 ATOM 490 O LYS 67 -7.070 -13.370 2.360 1.00 20.83 2RHE 604 ATOM 491 CB LYS 67 -7.090 -10.670 3.880 1.00 14.77 2RHE 605 ATOM 492 CG LYS 67 -7.840 -9.550 3.240 1.00 18.49 2RHE 606 ATOM 493 CD LYS 67 -7.610 -9.200 1.810 1.00 20.34 2RHE 607 ATOM 494 CE LYS 67 -6.630 -8.410 1.080 1.00 19.72 2RHE 608 ATOM 495 NZ LYS 67 -6.150 -7.120 1.630 1.00 16.39 2RHE 609 ATOM 496 N SER 68 -9.270 -12.760 2.570 1.00 16.81 2RHE 610 ATOM 497 CA SER 68 -9.720 -13.440 1.330 1.00 19.27 2RHE 611 ATOM 498 C SER 68 -10.800 -12.570 .690 1.00 15.11 2RHE 612 ATOM 499 O SER 68 -11.880 -12.430 1.310 1.00 14.61 2RHE 613 ATOM 500 CB SER 68 -10.220 -14.850 1.590 1.00 22.12 2RHE 614 ATOM 501 OG SER 68 -11.060 -15.490 .580 1.00 26.68 2RHE 615 ATOM 502 N GLY 69 -10.470 -12.090 -.480 1.00 15.12 2RHE 616 ATOM 503 CA GLY 69 -11.420 -11.240 -1.240 1.00 12.44 2RHE 617 ATOM 504 C GLY 69 -11.840 -10.010 -.410 1.00 11.20 2RHE 618 ATOM 505 O GLY 69 -10.830 -9.310 -.270 1.00 14.64 2RHE 619 ATOM 506 N THR 70 -13.070 -9.820 -.040 1.00 12.60 2RHE 620 ATOM 507 CA THR 70 -13.450 -8.590 .710 1.00 11.75 2RHE 621 ATOM 508 C THR 70 -13.670 -8.790 2.170 1.00 11.03 2RHE 622 ATOM 509 O THR 70 -14.250 -7.920 2.860 1.00 11.06 2RHE 623 ATOM 510 CB THR 70 -14.650 -7.900 -.090 1.00 12.93 2RHE 624 ATOM 511 OG1 THR 70 -15.730 -8.840 .020 1.00 14.85 2RHE 625 ATOM 512 CG2 THR 70 -14.360 -7.490 -1.530 1.00 15.41 2RHE 626 ATOM 513 N SER 71 -13.230 -9.910 2.740 1.00 8.23 2RHE 627 ATOM 514 CA SER 71 -13.370 -10.280 4.140 1.00 11.85 2RHE 628 ATOM 515 C SER 71 -11.990 -10.580 4.750 1.00 10.78 2RHE 629 ATOM 516 O SER 71 -11.050 -10.980 4.040 1.00 13.70 2RHE 630 ATOM 517 CB SER 71 -14.130 -11.650 4.290 1.00 16.60 2RHE 631 ATOM 518 OG SER 71 -15.460 -11.170 4.140 1.00 27.18 2RHE 632 ATOM 519 N ALA 72 -11.830 -10.280 6.020 1.00 9.45 2RHE 633 ATOM 520 CA ALA 72 -10.640 -10.490 6.820 1.00 8.83 2RHE 634 ATOM 521 C ALA 72 -11.020 -11.110 8.160 1.00 8.96 2RHE 635 ATOM 522 O ALA 72 -12.140 -10.940 8.620 1.00 11.74 2RHE 636 ATOM 523 CB ALA 72 -9.880 -9.190 6.950 1.00 9.89 2RHE 637 ATOM 524 N SER 73 -10.130 -11.850 8.740 1.00 9.38 2RHE 638 ATOM 525 CA SER 73 -10.330 -12.520 9.990 1.00 9.13 2RHE 639 ATOM 526 C SER 73 -9.130 -12.530 10.910 1.00 6.38 2RHE 640 ATOM 527 O SER 73 -8.050 -12.780 10.400 1.00 11.27 2RHE 641 ATOM 528 CB SER 73 -10.740 -13.940 9.480 1.00 14.90 2RHE 642 ATOM 529 OG SER 73 -11.060 -14.710 10.590 1.00 24.67 2RHE 643 ATOM 530 N LEU 74 -9.380 -12.330 12.160 1.00 5.57 2RHE 644 ATOM 531 CA LEU 74 -8.430 -12.390 13.250 1.00 5.97 2RHE 645 ATOM 532 C LEU 74 -8.690 -13.640 14.090 1.00 8.36 2RHE 646 ATOM 533 O LEU 74 -9.830 -13.760 14.550 1.00 9.30 2RHE 647 ATOM 534 CB LEU 74 -8.430 -11.180 14.150 1.00 6.00 2RHE 648 ATOM 535 CG LEU 74 -7.550 -11.080 15.350 1.00 6.67 2RHE 649 ATOM 536 CD1 LEU 74 -6.060 -10.960 14.960 1.00 9.63 2RHE 650 ATOM 537 CD2 LEU 74 -7.900 -9.960 16.290 1.00 11.11 2RHE 651 ATOM 538 N ALA 75 -7.670 -14.460 14.300 1.00 8.71 2RHE 652 ATOM 539 CA ALA 75 -7.860 -15.650 15.160 1.00 10.23 2RHE 653 ATOM 540 C ALA 75 -7.040 -15.520 16.400 1.00 9.02 2RHE 654 ATOM 541 O ALA 75 -5.830 -15.130 16.270 1.00 10.50 2RHE 655 ATOM 542 CB ALA 75 -7.430 -16.880 14.340 1.00 10.25 2RHE 656 ATOM 543 N ILE 76 -7.500 -15.850 17.570 1.00 8.00 2RHE 657 ATOM 544 CA ILE 76 -6.810 -15.880 18.840 1.00 9.13 2RHE 658 ATOM 545 C ILE 76 -6.830 -17.350 19.270 1.00 11.52 2RHE 659 ATOM 546 O ILE 76 -7.940 -17.890 19.450 1.00 13.23 2RHE 660 ATOM 547 CB ILE 76 -7.470 -14.990 19.920 1.00 9.11 2RHE 661 ATOM 548 CG1 ILE 76 -7.740 -13.600 19.260 1.00 12.93 2RHE 662 ATOM 549 CG2 ILE 76 -6.630 -14.910 21.180 1.00 13.44 2RHE 663 ATOM 550 CD1 ILE 76 -8.650 -12.590 20.030 1.00 16.66 2RHE 664 ATOM 551 N SER 77 -5.700 -18.000 19.310 1.00 12.67 2RHE 665 ATOM 552 CA SER 77 -5.590 -19.410 19.770 1.00 14.60 2RHE 666 ATOM 553 C SER 77 -5.330 -19.240 21.250 1.00 14.25 2RHE 667 ATOM 554 O SER 77 -4.870 -18.210 21.770 1.00 14.83 2RHE 668 ATOM 555 CB SER 77 -4.520 -20.040 18.930 1.00 16.01 2RHE 669 ATOM 556 OG SER 77 -5.030 -20.110 17.580 1.00 19.68 2RHE 670 ATOM 557 N GLY 78 -5.630 -20.220 22.030 1.00 12.23 2RHE 671 ATOM 558 CA GLY 78 -5.380 -20.360 23.460 1.00 10.79 2RHE 672 ATOM 559 C GLY 78 -5.900 -19.230 24.270 1.00 11.63 2RHE 673 ATOM 560 O GLY 78 -5.160 -18.640 25.070 1.00 13.79 2RHE 674 ATOM 561 N LEU 79 -7.170 -18.840 24.020 1.00 10.52 2RHE 675 ATOM 562 CA LEU 79 -7.760 -17.670 24.720 1.00 10.55 2RHE 676 ATOM 563 C LEU 79 -7.430 -17.590 26.180 1.00 11.12 2RHE 677 ATOM 564 O LEU 79 -7.470 -18.570 27.020 1.00 9.76 2RHE 678 ATOM 565 CB LEU 79 -9.300 -17.710 24.570 1.00 12.56 2RHE 679 ATOM 566 CG LEU 79 -10.090 -16.440 24.870 1.00 12.95 2RHE 680 ATOM 567 CD1 LEU 79 -9.650 -15.330 23.930 1.00 12.55 2RHE 681 ATOM 568 CD2 LEU 79 -11.600 -16.770 24.780 1.00 13.14 2RHE 682 ATOM 569 N GLU 80 -6.960 -16.370 26.550 1.00 12.11 2RHE 683 ATOM 570 CA GLU 80 -6.540 -16.100 27.920 1.00 13.71 2RHE 684 ATOM 571 C GLU 80 -7.240 -14.890 28.470 1.00 12.96 2RHE 685 ATOM 572 O GLU 80 -7.690 -14.050 27.710 1.00 10.60 2RHE 686 ATOM 573 CB GLU 80 -5.000 -15.800 28.020 1.00 18.77 2RHE 687 ATOM 574 CG GLU 80 -4.030 -16.800 27.410 1.00 25.59 2RHE 688 ATOM 575 CD GLU 80 -2.570 -16.400 27.590 1.00 30.06 2RHE 689 ATOM 576 OE1 GLU 80 -2.330 -15.340 28.180 1.00 34.27 2RHE 690 ATOM 577 OE2 GLU 80 -1.800 -17.250 27.060 1.00 32.82 2RHE 691 ATOM 578 N SER 81 -7.350 -14.750 29.800 1.00 13.44 2RHE 692 ATOM 579 CA SER 81 -8.030 -13.660 30.420 1.00 15.68 2RHE 693 ATOM 580 C SER 81 -7.550 -12.270 29.950 1.00 16.00 2RHE 694 ATOM 581 O SER 81 -8.330 -11.340 29.760 1.00 14.81 2RHE 695 ATOM 582 CB SER 81 -8.190 -13.890 31.910 1.00 18.62 2RHE 696 ATOM 583 OG SER 81 -7.070 -13.280 32.420 1.00 24.79 2RHE 697 ATOM 584 N GLU 82 -6.240 -12.200 29.720 1.00 17.01 2RHE 698 ATOM 585 CA GLU 82 -5.610 -10.960 29.270 1.00 20.29 2RHE 699 ATOM 586 C GLU 82 -6.090 -10.510 27.910 1.00 17.85 2RHE 700 ATOM 587 O GLU 82 -5.860 -9.340 27.540 1.00 17.49 2RHE 701 ATOM 588 CB GLU 82 -4.080 -11.080 29.290 1.00 25.05 2RHE 702 ATOM 589 CG GLU 82 -3.440 -11.950 28.220 1.00 31.73 2RHE 703 ATOM 590 CD GLU 82 -1.980 -11.580 28.000 1.00 36.83 2RHE 704 ATOM 591 OE1 GLU 82 -1.590 -10.730 27.190 1.00 38.70 2RHE 705 ATOM 592 OE2 GLU 82 -1.290 -12.280 28.810 1.00 38.60 2RHE 706 ATOM 593 N ASP 83 -6.740 -11.360 27.160 1.00 10.96 2RHE 707 ATOM 594 CA ASP 83 -7.260 -11.070 25.840 1.00 10.95 2RHE 708 ATOM 595 C ASP 83 -8.540 -10.290 25.810 1.00 10.06 2RHE 709 ATOM 596 O ASP 83 -8.900 -9.890 24.690 1.00 12.60 2RHE 710 ATOM 597 CB ASP 83 -7.340 -12.280 24.920 1.00 11.70 2RHE 711 ATOM 598 CG ASP 83 -6.110 -13.140 24.790 1.00 12.70 2RHE 712 ATOM 599 OD1 ASP 83 -6.190 -14.340 24.610 1.00 11.24 2RHE 713 ATOM 600 OD2 ASP 83 -5.000 -12.580 24.760 1.00 11.74 2RHE 714 ATOM 601 N GLU 84 -9.150 -10.080 26.930 1.00 10.02 2RHE 715 ATOM 602 CA GLU 84 -10.390 -9.300 27.020 1.00 10.86 2RHE 716 ATOM 603 C GLU 84 -10.010 -7.840 26.700 1.00 10.68 2RHE 717 ATOM 604 O GLU 84 -9.090 -7.240 27.320 1.00 13.72 2RHE 718 ATOM 605 CB GLU 84 -10.920 -9.420 28.440 1.00 14.26 2RHE 719 ATOM 606 CG GLU 84 -12.390 -9.080 28.630 1.00 20.62 2RHE 720 ATOM 607 CD GLU 84 -12.890 -9.800 29.850 1.00 23.76 2RHE 721 ATOM 608 OE1 GLU 84 -13.670 -10.690 29.940 1.00 19.86 2RHE 722 ATOM 609 OE2 GLU 84 -12.290 -9.320 30.860 1.00 28.93 2RHE 723 ATOM 610 N ALA 85 -10.640 -7.410 25.640 1.00 8.94 2RHE 724 ATOM 611 CA ALA 85 -10.390 -6.040 25.110 1.00 10.75 2RHE 725 ATOM 612 C ALA 85 -11.290 -5.760 23.920 1.00 8.07 2RHE 726 ATOM 613 O ALA 85 -12.130 -6.590 23.590 1.00 7.40 2RHE 727 ATOM 614 CB ALA 85 -8.930 -6.070 24.610 1.00 12.45 2RHE 728 ATOM 615 N ASP 86 -11.190 -4.570 23.330 1.00 7.56 2RHE 729 ATOM 616 CA ASP 86 -11.900 -4.140 22.150 1.00 9.19 2RHE 730 ATOM 617 C ASP 86 -10.950 -4.260 20.990 1.00 8.58 2RHE 731 ATOM 618 O ASP 86 -9.890 -3.630 21.030 1.00 8.69 2RHE 732 ATOM 619 CB ASP 86 -12.340 -2.680 22.290 1.00 14.12 2RHE 733 ATOM 620 CG ASP 86 -13.310 -2.450 23.460 1.00 19.05 2RHE 734 ATOM 621 OD1 ASP 86 -12.840 -1.930 24.530 1.00 25.77 2RHE 735 ATOM 622 OD2 ASP 86 -14.400 -2.850 23.120 1.00 19.18 2RHE 736 ATOM 623 N TYR 87 -11.290 -4.960 19.950 1.00 6.81 2RHE 737 ATOM 624 CA TYR 87 -10.580 -5.240 18.740 1.00 6.00 2RHE 738 ATOM 625 C TYR 87 -11.130 -4.520 17.510 1.00 5.91 2RHE 739 ATOM 626 O TYR 87 -12.350 -4.620 17.290 1.00 7.55 2RHE 740 ATOM 627 CB TYR 87 -10.400 -6.700 18.350 1.00 7.06 2RHE 741 ATOM 628 CG TYR 87 -9.740 -7.490 19.490 1.00 6.61 2RHE 742 ATOM 629 CD1 TYR 87 -10.390 -7.850 20.670 1.00 6.94 2RHE 743 ATOM 630 CD2 TYR 87 -8.370 -7.820 19.350 1.00 9.66 2RHE 744 ATOM 631 CE1 TYR 87 -9.680 -8.530 21.650 1.00 8.92 2RHE 745 ATOM 632 CE2 TYR 87 -7.680 -8.520 20.300 1.00 9.99 2RHE 746 ATOM 633 CZ TYR 87 -8.360 -8.880 21.480 1.00 9.52 2RHE 747 ATOM 634 OH TYR 87 -7.620 -9.560 22.440 1.00 11.34 2RHE 748 ATOM 635 N TYR 88 -10.270 -3.860 16.720 1.00 3.86 2RHE 749 ATOM 636 CA TYR 88 -10.720 -3.170 15.540 1.00 3.23 2RHE 750 ATOM 637 C TYR 88 -9.980 -3.580 14.330 1.00 4.45 2RHE 751 ATOM 638 O TYR 88 -8.760 -3.850 14.410 1.00 5.71 2RHE 752 ATOM 639 CB TYR 88 -10.380 -1.620 15.760 1.00 4.71 2RHE 753 ATOM 640 CG TYR 88 -11.120 -.980 16.930 1.00 5.66 2RHE 754 ATOM 641 CD1 TYR 88 -12.370 -.360 16.650 1.00 6.60 2RHE 755 ATOM 642 CD2 TYR 88 -10.670 -1.100 18.220 1.00 6.43 2RHE 756 ATOM 643 CE1 TYR 88 -13.070 .140 17.750 1.00 5.58 2RHE 757 ATOM 644 CE2 TYR 88 -11.390 -.630 19.290 1.00 4.83 2RHE 758 ATOM 645 CZ TYR 88 -12.590 .010 19.040 1.00 3.80 2RHE 759 ATOM 646 OH TYR 88 -13.350 .520 20.110 1.00 8.86 2RHE 760 ATOM 647 N CYS 89 -10.560 -3.610 13.220 1.00 4.14 2RHE 761 ATOM 648 CA CYS 89 -9.980 -3.750 11.890 1.00 2.99 2RHE 762 ATOM 649 C CYS 89 -10.030 -2.400 11.150 1.00 3.65 2RHE 763 ATOM 650 O CYS 89 -10.880 -1.510 11.400 1.00 5.26 2RHE 764 ATOM 651 CB CYS 89 -10.540 -4.800 10.950 1.00 4.74 2RHE 765 ATOM 652 SG CYS 89 -12.370 -4.600 10.760 1.00 8.11 2RHE 766 ATOM 653 N ALA 90 -9.030 -2.160 10.330 1.00 5.25 2RHE 767 ATOM 654 CA ALA 90 -8.910 -.960 9.480 1.00 5.51 2RHE 768 ATOM 655 C ALA 90 -8.290 -1.230 8.150 1.00 6.75 2RHE 769 ATOM 656 O ALA 90 -7.450 -2.160 8.080 1.00 6.19 2RHE 770 ATOM 657 CB ALA 90 -8.180 .200 10.230 1.00 5.92 2RHE 771 ATOM 658 N ALA 91 -8.550 -.460 7.130 1.00 6.42 2RHE 772 ATOM 659 CA ALA 91 -7.890 -.570 5.860 1.00 6.71 2RHE 773 ATOM 660 C ALA 91 -8.090 .750 5.090 1.00 8.35 2RHE 774 ATOM 661 O ALA 91 -9.090 1.400 5.290 1.00 8.38 2RHE 775 ATOM 662 CB ALA 91 -8.430 -1.780 5.060 1.00 8.51 2RHE 776 ATOM 663 N TRP 92 -7.170 1.050 4.250 1.00 7.84 2RHE 777 ATOM 664 CA TRP 92 -7.260 2.240 3.380 1.00 8.36 2RHE 778 ATOM 665 C TRP 92 -8.440 1.980 2.470 1.00 8.92 2RHE 779 ATOM 666 O TRP 92 -8.610 .860 1.960 1.00 8.34 2RHE 780 ATOM 667 CB TRP 92 -6.060 2.410 2.470 1.00 9.24 2RHE 781 ATOM 668 CG TRP 92 -6.050 3.680 1.670 1.00 7.40 2RHE 782 ATOM 669 CD1 TRP 92 -6.520 3.910 .400 1.00 11.04 2RHE 783 ATOM 670 CD2 TRP 92 -5.580 4.960 2.180 1.00 10.82 2RHE 784 ATOM 671 NE1 TRP 92 -6.320 5.240 .070 1.00 11.01 2RHE 785 ATOM 672 CE2 TRP 92 -5.760 5.890 1.140 1.00 12.81 2RHE 786 ATOM 673 CE3 TRP 92 -4.950 5.300 3.380 1.00 10.49 2RHE 787 ATOM 674 CZ2 TRP 92 -5.330 7.190 1.320 1.00 11.88 2RHE 788 ATOM 675 CZ3 TRP 92 -4.550 6.620 3.560 1.00 11.54 2RHE 789 ATOM 676 CH2 TRP 92 -4.730 7.500 2.510 1.00 9.96 2RHE 790 ATOM 677 N ASN 93 -9.240 3.020 2.250 1.00 7.78 2RHE 791 ATOM 678 CA ASN 93 -10.410 2.940 1.380 1.00 8.60 2RHE 792 ATOM 679 C ASN 93 -10.180 3.950 .230 1.00 11.14 2RHE 793 ATOM 680 O ASN 93 -10.070 5.180 .440 1.00 10.99 2RHE 794 ATOM 681 CB ASN 93 -11.660 3.140 2.160 1.00 8.60 2RHE 795 ATOM 682 CG ASN 93 -12.950 2.890 1.390 1.00 13.12 2RHE 796 ATOM 683 OD1 ASN 93 -13.010 3.340 .230 1.00 16.81 2RHE 797 ATOM 684 ND2 ASN 93 -13.920 2.310 1.990 1.00 9.80 2RHE 798 ATOM 685 N ASP 94 -10.170 3.400 -.950 1.00 10.94 2RHE 799 ATOM 686 CA ASP 94 -9.930 4.210 -2.170 1.00 14.08 2RHE 800 ATOM 687 C ASP 94 -11.060 5.210 -2.380 1.00 14.54 2RHE 801 ATOM 688 O ASP 94 -10.820 6.260 -3.030 1.00 19.14 2RHE 802 ATOM 689 CB ASP 94 -9.750 3.260 -3.370 1.00 16.15 2RHE 803 ATOM 690 CG ASP 94 -8.520 2.390 -3.350 1.00 18.79 2RHE 804 ATOM 691 OD1 ASP 94 -8.360 1.350 -4.000 1.00 22.56 2RHE 805 ATOM 692 OD2 ASP 94 -7.550 2.630 -2.640 1.00 20.90 2RHE 806 ATOM 693 N SER 95 -12.220 4.970 -1.890 1.00 14.67 2RHE 807 ATOM 694 CA SER 95 -13.430 5.810 -2.080 1.00 16.83 2RHE 808 ATOM 695 C SER 95 -13.350 6.950 -1.110 1.00 17.56 2RHE 809 ATOM 696 O SER 95 -13.760 8.080 -1.470 1.00 19.86 2RHE 810 ATOM 697 CB SER 95 -14.670 4.960 -2.170 1.00 18.16 2RHE 811 ATOM 698 OG SER 95 -15.100 4.610 -.860 1.00 23.02 2RHE 812 ATOM 699 N LEU 96 -12.830 6.700 .060 1.00 14.19 2RHE 813 ATOM 700 CA LEU 96 -12.710 7.750 1.070 1.00 13.96 2RHE 814 ATOM 701 C LEU 96 -11.420 8.560 .880 1.00 13.16 2RHE 815 ATOM 702 O LEU 96 -11.360 9.660 1.440 1.00 13.33 2RHE 816 ATOM 703 CB LEU 96 -12.590 7.100 2.460 1.00 11.52 2RHE 817 ATOM 704 CG LEU 96 -13.750 6.350 3.050 1.00 14.01 2RHE 818 ATOM 705 CD1 LEU 96 -13.460 6.090 4.540 1.00 13.65 2RHE 819 ATOM 706 CD2 LEU 96 -15.000 7.210 2.950 1.00 17.08 2RHE 820 ATOM 707 N ASP 97 -10.450 8.030 .220 1.00 11.19 2RHE 821 ATOM 708 CA ASP 97 -9.120 8.580 .110 1.00 15.38 2RHE 822 ATOM 709 C ASP 97 -8.500 8.660 1.510 1.00 14.56 2RHE 823 ATOM 710 O ASP 97 -7.830 9.650 1.840 1.00 12.81 2RHE 824 ATOM 711 CB ASP 97 -9.050 9.980 -.520 1.00 19.42 2RHE 825 ATOM 712 CG ASP 97 -8.020 9.880 -1.590 1.00 24.83 2RHE 826 ATOM 713 OD1 ASP 97 -8.640 9.960 -2.680 1.00 30.57 2RHE 827 ATOM 714 OD2 ASP 97 -6.870 9.610 -1.280 1.00 25.68 2RHE 828 ATOM 715 N GLU 98 -8.770 7.700 2.400 1.00 10.48 2RHE 829 ATOM 716 CA GLU 98 -8.220 7.700 3.760 1.00 11.47 2RHE 830 ATOM 717 C GLU 98 -8.660 6.340 4.380 1.00 8.99 2RHE 831 ATOM 718 O GLU 98 -9.360 5.560 3.720 1.00 7.58 2RHE 832 ATOM 719 CB GLU 98 -8.590 8.980 4.400 1.00 23.12 2RHE 833 ATOM 720 CG GLU 98 -9.280 10.310 4.610 1.00 30.47 2RHE 834 ATOM 721 CD GLU 98 -8.940 11.410 5.620 1.00 35.75 2RHE 835 ATOM 722 OE1 GLU 98 -9.870 12.280 5.880 1.00 37.09 2RHE 836 ATOM 723 OE2 GLU 98 -7.780 11.410 6.230 1.00 32.41 2RHE 837 ATOM 724 N PRO 99 -8.240 6.090 5.590 1.00 7.82 2RHE 838 ATOM 725 CA PRO 99 -8.600 4.790 6.200 1.00 7.69 2RHE 839 ATOM 726 C PRO 99 -10.060 4.670 6.570 1.00 7.68 2RHE 840 ATOM 727 O PRO 99 -10.730 5.690 6.950 1.00 8.35 2RHE 841 ATOM 728 CB PRO 99 -7.760 4.770 7.480 1.00 8.28 2RHE 842 ATOM 729 CG PRO 99 -7.070 6.060 7.680 1.00 10.22 2RHE 843 ATOM 730 CD PRO 99 -7.380 6.930 6.440 1.00 10.96 2RHE 844 ATOM 731 N GLY 100 -10.620 3.470 6.510 1.00 6.70 2RHE 845 ATOM 732 CA GLY 100 -11.930 3.050 6.920 1.00 6.85 2RHE 846 ATOM 733 C GLY 100 -11.870 2.090 8.120 1.00 6.79 2RHE 847 ATOM 734 O GLY 100 -10.850 1.380 8.180 1.00 6.99 2RHE 848 ATOM 735 N PHE 101 -12.830 2.110 8.980 1.00 5.00 2RHE 849 ATOM 736 CA PHE 101 -12.780 1.310 10.210 1.00 5.81 2RHE 850 ATOM 737 C PHE 101 -14.040 .500 10.480 1.00 7.73 2RHE 851 ATOM 738 O PHE 101 -15.100 .710 10.030 1.00 9.06 2RHE 852 ATOM 739 CB PHE 101 -12.690 2.280 11.420 1.00 7.00 2RHE 853 ATOM 740 CG PHE 101 -11.520 3.190 11.250 1.00 6.55 2RHE 854 ATOM 741 CD1 PHE 101 -11.620 4.430 10.670 1.00 7.22 2RHE 855 ATOM 742 CD2 PHE 101 -10.280 2.690 11.670 1.00 4.88 2RHE 856 ATOM 743 CE1 PHE 101 -10.510 5.250 10.540 1.00 9.20 2RHE 857 ATOM 744 CE2 PHE 101 -9.130 3.510 11.560 1.00 7.23 2RHE 858 ATOM 745 CZ PHE 101 -9.270 4.770 11.000 1.00 6.48 2RHE 859 ATOM 746 N GLY 102 -13.780 -.550 11.200 1.00 7.70 2RHE 860 ATOM 747 CA GLY 102 -14.820 -1.400 11.750 1.00 6.24 2RHE 861 ATOM 748 C GLY 102 -15.330 -.680 12.990 1.00 7.15 2RHE 862 ATOM 749 O GLY 102 -14.720 .270 13.530 1.00 8.40 2RHE 863 ATOM 750 N GLY 103 -16.430 -1.130 13.570 1.00 7.29 2RHE 864 ATOM 751 CA GLY 103 -17.050 -.600 14.730 1.00 7.03 2RHE 865 ATOM 752 C GLY 103 -16.530 -1.100 16.030 1.00 8.29 2RHE 866 ATOM 753 O GLY 103 -16.970 -.570 17.050 1.00 9.71 2RHE 867 ATOM 754 N GLY 104 -15.640 -2.110 15.950 1.00 8.41 2RHE 868 ATOM 755 CA GLY 104 -15.070 -2.670 17.150 1.00 7.41 2RHE 869 ATOM 756 C GLY 104 -15.890 -3.880 17.640 1.00 9.42 2RHE 870 ATOM 757 O GLY 104 -17.080 -4.040 17.460 1.00 9.06 2RHE 871 ATOM 758 N THR 105 -15.070 -4.800 18.200 1.00 5.65 2RHE 872 ATOM 759 CA THR 105 -15.660 -6.080 18.740 1.00 3.81 2RHE 873 ATOM 760 C THR 105 -15.150 -6.190 20.160 1.00 4.75 2RHE 874 ATOM 761 O THR 105 -13.970 -6.230 20.410 1.00 6.60 2RHE 875 ATOM 762 CB THR 105 -15.290 -7.370 17.950 1.00 4.11 2RHE 876 ATOM 763 OG1 THR 105 -15.610 -7.340 16.580 1.00 6.06 2RHE 877 ATOM 764 CG2 THR 105 -15.810 -8.600 18.720 1.00 6.58 2RHE 878 ATOM 765 N LYS 106 -16.050 -6.220 21.160 1.00 4.37 2RHE 879 ATOM 766 CA LYS 106 -15.720 -6.390 22.560 1.00 4.08 2RHE 880 ATOM 767 C LYS 106 -15.570 -7.890 22.770 1.00 8.65 2RHE 881 ATOM 768 O LYS 106 -16.590 -8.590 22.640 1.00 8.12 2RHE 882 ATOM 769 CB LYS 106 -16.810 -5.780 23.450 1.00 8.94 2RHE 883 ATOM 770 CG LYS 106 -16.540 -6.130 24.900 1.00 14.89 2RHE 884 ATOM 771 CD LYS 106 -15.450 -5.380 25.590 1.00 22.42 2RHE 885 ATOM 772 CE LYS 106 -15.230 -5.940 27.010 1.00 25.57 2RHE 886 ATOM 773 NZ LYS 106 -14.070 -6.900 26.890 1.00 23.04 2RHE 887 ATOM 774 N LEU 107 -14.430 -8.400 23.150 1.00 7.33 2RHE 888 ATOM 775 CA LEU 107 -14.200 -9.810 23.440 1.00 7.69 2RHE 889 ATOM 776 C LEU 107 -14.220 -10.020 24.930 1.00 8.38 2RHE 890 ATOM 777 O LEU 107 -13.440 -9.350 25.660 1.00 8.80 2RHE 891 ATOM 778 CB LEU 107 -12.880 -10.280 22.770 1.00 7.75 2RHE 892 ATOM 779 CG LEU 107 -12.400 -11.650 23.290 1.00 10.07 2RHE 893 ATOM 780 CD1 LEU 107 -13.210 -12.750 22.630 1.00 13.33 2RHE 894 ATOM 781 CD2 LEU 107 -10.960 -11.970 22.800 1.00 13.21 2RHE 895 ATOM 782 N THR 108 -15.040 -10.930 25.420 1.00 6.98 2RHE 896 ATOM 783 CA THR 108 -15.210 -11.290 26.810 1.00 8.99 2RHE 897 ATOM 784 C THR 108 -14.690 -12.700 27.010 1.00 9.01 2RHE 898 ATOM 785 O THR 108 -15.020 -13.620 26.220 1.00 7.02 2RHE 899 ATOM 786 CB THR 108 -16.720 -11.250 27.300 1.00 12.03 2RHE 900 ATOM 787 OG1 THR 108 -17.240 -9.900 27.170 1.00 12.78 2RHE 901 ATOM 788 CG2 THR 108 -16.850 -11.780 28.750 1.00 13.54 2RHE 902 ATOM 789 N VAL 109 -13.890 -12.880 28.020 1.00 6.56 2RHE 903 ATOM 790 CA VAL 109 -13.320 -14.220 28.330 1.00 8.35 2RHE 904 ATOM 791 C VAL 109 -14.050 -14.670 29.600 1.00 7.72 2RHE 905 ATOM 792 O VAL 109 -13.990 -14.040 30.650 1.00 8.94 2RHE 906 ATOM 793 CB VAL 109 -11.770 -14.130 28.430 1.00 8.34 2RHE 907 ATOM 794 CG1 VAL 109 -11.250 -15.540 28.860 1.00 9.90 2RHE 908 ATOM 795 CG2 VAL 109 -11.110 -13.610 27.170 1.00 10.67 2RHE 909 ATOM 796 N LEU 110 -14.730 -15.800 29.520 1.00 6.94 2RHE 910 ATOM 797 CA LEU 110 -15.490 -16.410 30.600 1.00 8.59 2RHE 911 ATOM 798 C LEU 110 -14.630 -17.220 31.530 1.00 11.25 2RHE 912 ATOM 799 O LEU 110 -13.450 -17.450 31.160 1.00 11.52 2RHE 913 ATOM 800 CB LEU 110 -16.700 -17.160 29.950 1.00 9.14 2RHE 914 ATOM 801 CG LEU 110 -17.570 -16.270 29.070 1.00 11.09 2RHE 915 ATOM 802 CD1 LEU 110 -18.520 -17.250 28.420 1.00 13.73 2RHE 916 ATOM 803 CD2 LEU 110 -18.400 -15.280 29.900 1.00 13.24 2RHE 917 ATOM 804 N GLY 111 -15.220 -17.620 32.640 1.00 8.34 2RHE 918 ATOM 805 CA GLY 111 -14.510 -18.430 33.560 1.00 11.38 2RHE 919 ATOM 806 C GLY 111 -13.460 -17.830 34.490 1.00 12.73 2RHE 920 ATOM 807 O GLY 111 -12.650 -18.550 35.040 1.00 13.20 2RHE 921 ATOM 808 N GLN 112 -13.590 -16.540 34.710 1.00 12.01 2RHE 922 ATOM 809 CA GLN 112 -12.650 -15.840 35.590 1.00 13.96 2RHE 923 ATOM 810 C GLN 112 -13.380 -15.700 36.920 1.00 12.55 2RHE 924 ATOM 811 O GLN 112 -14.600 -15.800 37.000 1.00 12.66 2RHE 925 ATOM 812 CB GLN 112 -12.390 -14.450 35.010 1.00 14.33 2RHE 926 ATOM 813 CG GLN 112 -12.050 -14.310 33.520 1.00 20.29 2RHE 927 ATOM 814 CD GLN 112 -11.550 -12.910 33.180 1.00 24.48 2RHE 928 ATOM 815 OE1 GLN 112 -10.750 -12.210 33.870 1.00 26.66 2RHE 929 ATOM 816 NE2 GLN 112 -12.010 -12.340 32.040 1.00 24.14 2RHE 930 ATOM 817 N PRO 113 -12.640 -15.450 38.010 1.00 14.28 2RHE 931 ATOM 818 CA PRO 113 -13.220 -15.160 39.310 1.00 15.28 2RHE 932 ATOM 819 C PRO 113 -14.020 -13.840 39.170 1.00 15.30 2RHE 933 ATOM 820 O PRO 113 -13.710 -12.820 38.500 1.00 15.45 2RHE 934 ATOM 821 CB PRO 113 -12.050 -14.920 40.250 1.00 14.74 2RHE 935 ATOM 822 CG PRO 113 -10.860 -15.380 39.510 1.00 17.16 2RHE 936 ATOM 823 CD PRO 113 -11.170 -15.370 38.010 1.00 14.10 2RHE 937 ATOM 824 N LYS 114 -15.100 -13.860 39.890 1.00 14.70 2RHE 938 ATOM 825 CA LYS 114 -16.080 -12.780 40.000 1.00 19.02 2RHE 939 ATOM 826 C LYS 114 -15.500 -11.630 40.890 1.00 18.67 2RHE 940 ATOM 827 O LYS 114 -15.900 -10.530 40.490 1.00 20.97 2RHE 941 ATOM 828 CB LYS 114 -17.400 -13.220 40.630 1.00 23.06 2RHE 942 ATOM 829 CG LYS 114 -18.580 -12.450 39.980 1.00 29.25 2RHE 943 ATOM 830 CD LYS 114 -19.950 -12.870 40.530 1.00 33.03 2RHE 944 ATOM 831 CE LYS 114 -20.960 -11.760 40.270 1.00 35.22 2RHE 945 ATOM 832 NZ LYS 114 -20.340 -10.430 40.630 1.00 36.70 2RHE 946 ATOM 833 OXT LYS 114 -14.840 -11.950 41.850 1.00 14.95 2RHE 947 TER 834 LYS 114 2RHE 948 HETATM 835 O HOH 115 -21.580 -14.940 25.700 1.00 9.33 2RHE 949 HETATM 836 O HOH 116 6.750 -7.940 11.070 1.00 10.65 2RHE 950 HETATM 837 O HOH 117 4.340 .280 4.110 1.00 8.92 2RHE 951 HETATM 838 O HOH 118 -6.650 -9.710 8.260 1.00 9.67 2RHE 952 HETATM 839 O HOH 119 7.020 -4.480 14.220 1.00 12.72 2RHE 953 HETATM 840 O HOH 120 -10.360 3.040 16.800 1.00 10.62 2RHE 954 HETATM 841 O HOH 121 -18.810 -2.740 12.520 1.00 15.29 2RHE 955 HETATM 842 O HOH 122 -14.820 2.250 15.480 1.00 13.99 2RHE 956 HETATM 843 O HOH 123 -4.290 -17.880 16.010 1.00 13.56 2RHE 957 HETATM 844 O HOH 124 -7.760 -16.110 10.290 1.00 20.84 2RHE 958 HETATM 845 O HOH 125 -18.290 -9.190 24.800 1.00 14.27 2RHE 959 HETATM 846 O HOH 126 -.260 -2.580 6.980 1.00 16.04 2RHE 960 HETATM 847 O HOH 127 -1.070 -14.490 10.640 1.00 12.95 2RHE 961 HETATM 848 O HOH 128 -19.060 -3.510 15.610 1.00 14.61 2RHE 962 HETATM 849 O HOH 129 -10.590 6.750 20.760 1.00 16.44 2RHE 963 HETATM 850 O HOH 130 -16.040 .190 19.750 1.00 14.77 2RHE 964 HETATM 851 O HOH 131 -17.590 -15.580 19.810 1.00 30.81 2RHE 965 HETATM 852 O HOH 132 -15.280 -17.790 17.460 1.00 24.33 2RHE 966 HETATM 853 O HOH 133 -18.950 -12.970 17.560 1.00 23.48 2RHE 967 HETATM 854 O HOH 134 -9.510 -2.670 24.840 1.00 16.28 2RHE 968 HETATM 855 O HOH 135 -15.670 -14.580 34.000 1.00 22.14 2RHE 969 HETATM 856 O HOH 136 -17.170 -1.210 2.910 1.00 23.90 2RHE 970 HETATM 857 O HOH 137 -18.390 -9.330 10.100 1.00 17.53 2RHE 971 HETATM 858 O HOH 138 1.560 -9.510 3.600 1.00 30.20 2RHE 972 HETATM 859 O HOH 139 -5.790 -19.920 28.680 1.00 30.52 2RHE 973 HETATM 860 O HOH 140 -18.540 -3.410 20.340 1.00 20.47 2RHE 974 HETATM 861 O HOH 141 -3.590 -10.150 24.800 1.00 30.12 2RHE 975 HETATM 862 O HOH 142 -8.250 -12.530 -1.980 1.00 31.40 2RHE 976 HETATM 863 O HOH 143 -5.240 11.080 1.030 1.00 36.36 2RHE 977 HETATM 864 O HOH 144 -8.750 -9.370 -1.830 1.00 30.66 2RHE 978 HETATM 865 O HOH 145 -17.470 -4.980 -3.290 1.00 35.89 2RHE 979 HETATM 866 O HOH 146 .890 -16.720 14.830 1.00 24.26 2RHE 980 HETATM 867 O HOH 147 -2.900 -15.910 6.200 1.00 39.89 2RHE 981 HETATM 868 O HOH 148 -12.130 -21.140 15.740 1.00 32.55 2RHE 982 HETATM 869 O HOH 149 -7.020 -17.090 31.900 1.00 37.81 2RHE 983 HETATM 870 O HOH 150 -6.350 10.730 4.000 1.00 20.33 2RHE 984 HETATM 871 O HOH 151 -19.320 -2.900 5.680 1.00 22.36 2RHE 985 HETATM 872 O HOH 152 -22.340 -10.150 18.340 1.00 28.09 2RHE 986 HETATM 873 O HOH 153 .820 -14.290 25.580 1.00 28.70 2RHE 987 HETATM 874 O HOH 154 -11.190 -24.100 20.220 1.00 21.52 2RHE 988 HETATM 875 O HOH 155 6.030 -13.760 20.000 1.00 27.77 2RHE 989 HETATM 876 O HOH 156 .670 -9.980 22.470 1.00 21.42 2RHE 990 HETATM 877 O HOH 157 -17.570 -16.940 33.620 1.00 28.97 2RHE 991 HETATM 878 O HOH 158 -16.810 -13.210 14.150 1.00 21.91 2RHE 992 HETATM 879 O HOH 159 -6.650 -22.720 21.030 1.00 22.18 2RHE 993 HETATM 880 O HOH 160 4.190 -13.230 10.910 1.00 35.40 2RHE 994 HETATM 881 O HOH 161 -2.810 -19.810 26.000 1.00 24.83 2RHE 995 HETATM 882 O HOH 162 -10.130 -18.950 36.180 1.00 24.70 2RHE 996 HETATM 883 O HOH 163 -.450 -11.800 24.580 1.00 33.31 2RHE 997 HETATM 884 O HOH 164 -20.560 -12.950 27.410 1.00 21.55 2RHE 998 HETATM 885 O HOH 165 7.060 -14.770 17.640 1.00 24.79 2RHE 999 HETATM 886 O HOH 166 2.840 -.220 2.040 1.00 25.68 2RHE1000 HETATM 887 O HOH 167 -5.150 1.320 23.990 1.00 18.12 2RHE1001 HETATM 888 O HOH 168 -10.250 -14.590 5.650 1.00 33.29 2RHE1002 HETATM 889 O HOH 169 -5.510 -17.160 10.970 1.00 25.09 2RHE1003 HETATM 890 O HOH 170 -15.670 -15.400 12.420 1.00 29.02 2RHE1004 HETATM 891 O HOH 171 -8.730 -19.630 38.270 1.00 25.99 2RHE1005 HETATM 892 O HOH 172 -1.550 6.480 25.150 1.00 33.93 2RHE1006 HETATM 893 O HOH 173 -16.880 -9.260 38.430 1.00 24.74 2RHE1007 HETATM 894 O HOH 174 -15.830 -2.410 20.880 1.00 33.88 2RHE1008 HETATM 895 O HOH 175 -22.540 -12.010 15.830 1.00 35.85 2RHE1009 HETATM 896 O HOH 176 -4.020 11.290 3.440 1.00 38.33 2RHE1010 HETATM 897 O HOH 177 -1.550 -18.990 16.040 1.00 26.36 2RHE1011 HETATM 898 O HOH 178 4.710 -20.520 20.270 1.00 53.71 2RHE1012 HETATM 899 O HOH 179 -7.400 -21.670 37.940 1.00 40.24 2RHE1013 HETATM 900 O HOH 180 2.050 -14.600 8.310 1.00 29.22 2RHE1014 HETATM 901 O HOH 181 -11.590 -7.080 -4.640 1.00 41.88 2RHE1015 HETATM 902 O HOH 182 5.760 -11.490 11.000 1.00 30.35 2RHE1016 HETATM 903 O HOH 183 -21.050 -12.280 29.870 1.00 27.09 2RHE1017 HETATM 904 O HOH 184 -16.590 2.910 1.430 1.00 32.73 2RHE1018 HETATM 905 O HOH 185 -3.720 -14.120 30.880 1.00 36.65 2RHE1019 HETATM 906 O HOH 186 .750 -15.590 12.620 1.00 28.19 2RHE1020 HETATM 907 O HOH 187 -8.110 -15.860 -.680 1.00 69.18 2RHE1021 HETATM 908 O HOH 188 -23.010 -10.300 14.060 1.00 41.21 2RHE1022 HETATM 909 O HOH 189 -15.090 -11.940 36.440 1.00 47.36 2RHE1023 HETATM 910 O HOH 190 2.050 1.780 .850 1.00 31.13 2RHE1024 HETATM 911 O HOH 191 1.450 4.120 -.480 1.00 51.62 2RHE1025 HETATM 912 O HOH 192 -9.720 -16.870 4.900 1.00 48.99 2RHE1026 HETATM 913 O HOH 193 -9.040 -25.070 8.560 1.00 50.61 2RHE1027 HETATM 914 O HOH 194 -14.040 -9.000 33.200 1.00 60.37 2RHE1028 HETATM 915 O HOH 195 -5.510 -24.460 24.110 1.00 37.52 2RHE1029 HETATM 916 O HOH 196 -9.270 -18.390 .270 1.00 47.37 2RHE1030 HETATM 917 O HOH 197 3.030 -17.450 22.230 1.00 43.03 2RHE1031 HETATM 918 O HOH 198 -7.490 -16.970 -3.640 1.00 67.97 2RHE1032 HETATM 919 O HOH 199 -9.310 -9.520 31.950 1.00 48.00 2RHE1033 HETATM 920 O HOH 200 -4.430 2.730 -2.020 .81 36.92 2RHE1034 HETATM 921 O HOH 201 -19.490 -5.290 4.150 .62 35.10 2RHE1035 HETATM 922 O HOH 202 -11.190 -17.120 8.120 .86 44.32 2RHE1036 HETATM 923 O HOH 203 -9.640 -17.270 10.370 .94 44.72 2RHE1037 HETATM 924 O HOH 204 -9.780 -5.240 -5.610 .43 30.04 2RHE1038 HETATM 925 O HOH 205 -2.020 -16.490 8.310 .72 38.60 2RHE1039 HETATM 926 O HOH 206 -21.020 -1.910 15.910 1.00 32.82 2RHE1040 HETATM 927 O HOH 207 -4.230 -13.920 4.090 .76 31.58 2RHE1041 HETATM 928 O HOH 208 1.660 -16.350 24.880 1.00 40.02 2RHE1042 HETATM 929 O HOH 209 -14.580 -14.090 1.070 1.00 31.07 2RHE1043 HETATM 930 O HOH 210 -5.370 -19.770 31.380 .36 35.87 2RHE1044 HETATM 931 O HOH 211 -4.760 -23.270 16.360 1.00 45.33 2RHE1045 HETATM 932 O HOH 212 -15.800 -20.480 9.360 .52 30.99 2RHE1046 HETATM 933 O HOH 213 -18.530 -13.340 8.920 .35 31.80 2RHE1047 HETATM 934 O HOH 214 -18.620 -12.070 32.270 .62 30.03 2RHE1048 HETATM 935 O HOH 215 -14.430 -23.360 8.350 .71 36.93 2RHE1049 HETATM 936 O HOH 216 -11.270 -28.070 7.600 .74 45.03 2RHE1050 HETATM 937 O HOH 217 -6.440 -4.470 27.390 .73 38.68 2RHE1051 HETATM 938 O HOH 218 -16.140 -6.520 35.370 .65 45.81 2RHE1052 HETATM 939 O HOH 219 -15.820 -12.340 32.220 .56 31.59 2RHE1053 HETATM 940 O HOH 220 -19.380 -13.260 12.940 1.00 43.08 2RHE1054 HETATM 941 O HOH 221 -20.310 -7.410 25.310 .34 20.43 2RHE1055 HETATM 942 O HOH 222 -13.610 -18.330 11.140 .48 34.23 2RHE1056 HETATM 943 O HOH 223 -5.460 -18.350 37.840 .88 47.46 2RHE1057 HETATM 944 O HOH 224 -14.730 8.980 -4.660 .84 49.55 2RHE1058 HETATM 945 O HOH 225 1.400 -.760 -1.730 .93 45.78 2RHE1059 HETATM 946 O HOH 226 -15.710 -9.950 31.890 .64 47.06 2RHE1060 HETATM 947 O HOH 227 -9.970 -7.360 33.410 .47 51.02 2RHE1061 HETATM 948 O HOH 228 -14.360 -30.790 10.430 .54 44.43 2RHE1062 HETATM 949 O HOH 229 -7.830 -18.880 6.500 1.00 44.92 2RHE1063 HETATM 950 O HOH 230 -18.950 1.850 1.990 .64 32.49 2RHE1064 HETATM 951 O HOH 231 -6.410 -8.680 -5.290 .78 53.60 2RHE1065 HETATM 952 O HOH 232 -7.400 10.650 26.160 .92 42.65 2RHE1066 HETATM 953 O HOH 233 -14.360 11.680 -5.720 .49 41.84 2RHE1067 HETATM 954 O HOH 234 4.700 -10.120 23.940 1.00 39.71 2RHE1068 HETATM 955 O HOH 235 -9.830 -25.530 14.530 .62 39.83 2RHE1069 HETATM 956 O HOH 236 -6.790 -3.500 -5.790 .50 30.88 2RHE1070 HETATM 957 O HOH 237 -17.440 -11.530 7.790 .94 42.42 2RHE1071 HETATM 958 O HOH 238 -16.110 -15.590 17.830 1.00 33.91 2RHE1072 HETATM 959 O HOH 239 -12.720 8.150 -5.800 .64 42.04 2RHE1073 HETATM 960 O HOH 240 -13.580 -6.760 34.170 .43 48.54 2RHE1074 HETATM 961 O HOH 241 -8.470 -12.860 35.520 .66 39.14 2RHE1075 HETATM 962 O HOH 242 -6.590 -10.880 -8.230 .97 41.11 2RHE1076 HETATM 963 O HOH 243 -3.870 -23.610 20.760 .77 35.63 2RHE1077 HETATM 964 O HOH 244 -9.160 -21.100 9.630 .79 52.65 2RHE1078 HETATM 965 O HOH 245 -14.010 -26.650 6.130 .98 47.75 2RHE1079 HETATM 966 O HOH 246 -19.400 -16.390 11.150 .25 20.10 2RHE1080 HETATM 967 O HOH 247 -16.620 -.670 -3.460 .81 38.32 2RHE1081 HETATM 968 O HOH 248 -15.010 -24.080 5.910 .68 37.31 2RHE1082 HETATM 969 O HOH 249 -16.560 -12.730 44.490 1.00 40.71 2RHE1083 HETATM 970 O HOH 250 -12.090 -11.040 37.640 .81 38.32 2RHE1084 HETATM 971 O HOH 251 -20.790 .790 15.400 .53 34.53 2RHE1085 HETATM 972 O HOH 252 -4.160 8.610 27.180 .51 41.96 2RHE1086 HETATM 973 O HOH 253 -2.380 -23.060 25.700 .37 31.50 2RHE1087 HETATM 974 O HOH 254 -4.830 -26.570 19.320 .61 33.71 2RHE1088 HETATM 975 O HOH 255 -14.690 -18.930 15.660 .63 38.47 2RHE1089 HETATM 976 O HOH 256 -23.710 -2.570 15.950 .86 40.59 2RHE1090 HETATM 977 O HOH 257 -4.680 -7.540 25.980 .54 33.68 2RHE1091 HETATM 978 O HOH 258 -2.070 -21.580 21.440 1.00 35.22 2RHE1092 HETATM 979 O HOH 259 -1.120 -20.940 19.600 1.00 37.83 2RHE1093 HETATM 980 O HOH 260 -2.290 -8.810 22.360 .72 38.59 2RHE1094 HETATM 981 O HOH 261 -13.100 -19.810 12.700 .46 31.09 2RHE1095 HETATM 982 O HOH 262 -18.310 -6.460 -.390 .56 41.47 2RHE1096 HETATM 983 O HOH 263 -11.280 -24.800 17.010 .67 41.35 2RHE1097 HETATM 984 O HOH 264 -11.940 -20.270 10.530 .58 42.15 2RHE1098 HETATM 985 O HOH 265 -32.130 -4.030 14.860 .96 39.91 2RHE1099 HETATM 986 O HOH 266 -7.300 -26.150 11.030 .63 41.01 2RHE1100 HETATM 987 O HOH 267 -19.720 3.820 .030 .32 37.33 2RHE1101 HETATM 988 O HOH 268 -17.070 -26.010 5.450 .68 41.40 2RHE1102 HETATM 989 O HOH 269 -7.000 -25.550 15.870 .90 41.13 2RHE1103 HETATM 990 O HOH 270 -8.040 -25.620 20.350 .62 43.26 2RHE1104 HETATM 991 O HOH 271 -21.260 -9.510 8.170 .76 39.82 2RHE1105 HETATM 992 O HOH 272 -22.300 -8.480 6.330 .53 39.22 2RHE1106 HETATM 993 O HOH 273 -11.230 4.560 4.380 .74 50.85 2RHE1107 HETATM 994 O HOH 274 -21.220 -9.450 11.050 .67 42.17 2RHE1108 HETATM 995 O HOH 275 -12.280 .600 22.670 .98 35.75 2RHE1109 HETATM 996 O HOH 276 .480 -1.210 2.030 .88 37.59 2RHE1110 HETATM 997 O HOH 277 -.230 -19.680 13.420 .63 41.26 2RHE1111 HETATM 998 O HOH 278 -16.710 .280 -5.780 .58 39.64 2RHE1112 HETATM 999 O HOH 279 -12.960 13.370 -7.770 .77 30.26 2RHE1113 HETATM 1000 O HOH 280 -2.960 -26.200 17.410 .57 36.56 2RHE1114 HETATM 1001 O HOH 281 -19.690 -9.320 28.540 .50 35.49 2RHE1115 HETATM 1002 O HOH 282 2.650 -3.820 .640 1.00 44.65 2RHE1116 HETATM 1003 O HOH 283 -16.370 -8.070 28.950 .34 41.55 2RHE1117 HETATM 1004 O HOH 284 -2.920 -20.080 37.010 .31 25.95 2RHE1118 HETATM 1005 O HOH 285 -9.600 -19.700 11.970 1.00 43.69 2RHE1119 HETATM 1006 O HOH 286 -6.890 -2.640 25.050 .73 32.32 2RHE1120 HETATM 1007 O HOH 287 -3.860 -20.450 12.430 .88 40.98 2RHE1121 HETATM 1008 O HOH 288 -15.440 -7.390 37.610 .91 31.74 2RHE1122 HETATM 1009 O HOH 289 -19.430 -1.960 1.920 .51 33.85 2RHE1123 HETATM 1010 O HOH 290 -16.100 -30.230 12.820 .29 32.96 2RHE1124 HETATM 1011 O HOH 291 -2.650 -2.220 -2.840 .49 36.40 2RHE1125 HETATM 1012 O HOH 292 -12.390 -10.680 34.820 1.00 60.11 2RHE1126 HETATM 1013 O HOH 293 -9.210 -29.120 10.140 .23 20.67 2RHE1127 HETATM 1014 O HOH 294 -21.130 -1.790 9.970 .94 41.34 2RHE1128 HETATM 1015 O HOH 295 -14.900 -30.290 15.710 .89 38.49 2RHE1129 HETATM 1016 O HOH 296 -21.920 -4.890 13.050 .52 30.84 2RHE1130 HETATM 1017 O HOH 297 -8.560 -18.150 8.430 .92 30.56 2RHE1131 HETATM 1018 O HOH 298 -16.940 -2.610 -4.720 .38 30.12 2RHE1132 HETATM 1019 O HOH 299 -30.230 -3.300 13.270 .39 30.88 2RHE1133 HETATM 1020 O HOH 300 -5.600 -24.220 14.090 .59 30.84 2RHE1134 CONECT 23 18 24 738 2RHE1135 CONECT 31 25 32 157 2RHE1136 CONECT 34 33 154 2RHE1137 CONECT 45 44 647 754 2RHE1138 CONECT 46 44 626 763 2RHE1139 CONECT 50 49 763 2RHE1140 CONECT 57 56 765 2RHE1141 CONECT 67 63 68 768 2RHE1142 CONECT 70 69 782 2RHE1143 CONECT 78 74 79 785 2RHE1144 CONECT 81 80 796 2RHE1145 CONECT 82 80 83 107 2RHE1146 CONECT 85 84 100 2RHE1147 CONECT 100 98 101 85 2RHE1148 CONECT 107 106 82 2RHE1149 CONECT 119 117 556 2RHE1150 CONECT 153 152 652 2RHE1151 CONECT 154 150 155 34 2RHE1152 CONECT 157 156 31 2RHE1153 CONECT 165 163 166 190 2RHE1154 CONECT 170 169 181 2RHE1155 CONECT 174 173 208 2RHE1156 CONECT 179 178 216 685 2RHE1157 CONECT 181 180 170 683 2RHE1158 CONECT 189 188 684 2RHE1159 CONECT 190 188 165 191 2RHE1160 CONECT 191 185 192 190 2RHE1161 CONECT 194 193 495 2RHE1162 CONECT 208 207 174 2RHE1163 CONECT 216 214 179 666 2RHE1164 CONECT 216 692 2RHE1165 CONECT 223 219 224 384 2RHE1166 CONECT 226 225 378 2RHE1167 CONECT 281 279 303 2RHE1168 CONECT 303 302 281 2RHE1169 CONECT 354 348 355 397 2RHE1170 CONECT 357 356 394 2RHE1171 CONECT 378 368 379 226 2RHE1172 CONECT 384 383 223 495 2RHE1173 CONECT 394 388 395 357 2RHE1174 CONECT 397 396 354 2RHE1175 CONECT 439 438 448 2RHE1176 CONECT 448 442 449 439 2RHE1177 CONECT 457 456 554 599 2RHE1178 CONECT 458 456 600 2RHE1179 CONECT 495 494 194 384 2RHE1180 CONECT 554 553 457 2RHE1181 CONECT 556 555 119 2RHE1182 CONECT 569 563 570 599 2RHE1183 CONECT 581 580 601 2RHE1184 CONECT 596 595 634 2RHE1185 CONECT 599 598 457 569 2RHE1186 CONECT 600 598 458 2RHE1187 CONECT 601 595 602 581 2RHE1188 CONECT 608 607 789 2RHE1189 CONECT 609 607 816 2RHE1190 CONECT 626 625 46 2RHE1191 CONECT 634 633 596 2RHE1192 CONECT 647 637 648 45 2RHE1193 CONECT 652 153 651 2RHE1194 CONECT 666 665 216 2RHE1195 CONECT 677 665 678 718 2RHE1196 CONECT 680 679 707 2RHE1197 CONECT 683 682 181 693 2RHE1198 CONECT 683 698 2RHE1199 CONECT 684 682 189 2RHE1200 CONECT 685 679 686 179 2RHE1201 CONECT 692 690 216 2RHE1202 CONECT 693 687 694 683 2RHE1203 CONECT 698 697 683 2RHE1204 CONECT 707 701 708 680 2RHE1205 CONECT 718 717 677 2RHE1206 CONECT 738 737 23 2RHE1207 CONECT 754 752 755 45 2RHE1208 CONECT 763 762 50 46 2RHE1209 CONECT 765 760 766 57 2RHE1210 CONECT 768 767 67 2RHE1211 CONECT 773 772 777 2RHE1212 CONECT 777 776 773 2RHE1213 CONECT 782 776 783 70 2RHE1214 CONECT 785 784 78 2RHE1215 CONECT 789 784 790 608 2RHE1216 CONECT 792 791 816 2RHE1217 CONECT 796 791 797 81 2RHE1218 CONECT 816 814 609 792 2RHE1219 MASTER 70 4 0 1 7 7 0 6 1019 1 85 9 2RHEB 5 END 2RHE1221