USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 988 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 SER OG : rot 117:sc= -0.631 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -172:sc= 0.143 (180deg=0.123) USER MOD Set 2.1: B 20 THR OG1 : rot 44:sc= -3.37! USER MOD Set 2.2: B 68 SER OG : rot 68:sc= -2.23! USER MOD Set 3.1: B 21 GLN :FLIP amide:sc= -2.64! C(o=-4.5!,f=-1.8!) USER MOD Set 3.2: B 24 SER OG : rot 101:sc= 0.885 USER MOD Set 4.1: A 23 SER OG : rot 118:sc= -0.561 USER MOD Set 4.2: A 74 LYS NZ :NH3+ -172:sc= 0.138 (180deg=0.123) USER MOD Set 5.1: A 21 GLN :FLIP amide:sc= -2.61! C(o=-4.5!,f=-1.7!) USER MOD Set 5.2: A 24 SER OG : rot 104:sc= 0.873 USER MOD Set 6.1: A 20 THR OG1 : rot 33:sc= -3.38! USER MOD Set 6.2: A 68 SER OG : rot 63:sc= -2.22! USER MOD Single : A 4 SER OG : rot 29:sc= 0.142 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0331 (180deg=-0.328) USER MOD Single : A 12 TYR OH : rot -87:sc= -1.76! USER MOD Single : A 13 ASN :FLIP amide:sc= -15.2! C(o=-22!,f=-15!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.657 F(o=-7.7!,f=-0.66) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -1.28 USER MOD Single : A 40 SER OG : rot -97:sc= 0.355 USER MOD Single : A 41 SER OG : rot 86:sc= 1.09 USER MOD Single : A 64 THR OG1 : rot -47:sc= 0.155 USER MOD Single : A 66 THR OG1 : rot 148:sc= -3.89! USER MOD Single : A 67 SER OG : rot -133:sc= -1.72! USER MOD Single : A 70 THR OG1 : rot -152:sc= 2.03 USER MOD Single : B 4 SER OG : rot 38:sc= 0.133 USER MOD Single : B 11 LYS NZ :NH3+ -165:sc= -0.0537 (180deg=-0.32) USER MOD Single : B 12 TYR OH : rot -88:sc= -1.75! USER MOD Single : B 13 ASN :FLIP amide:sc= -15.2! C(o=-21!,f=-15!) USER MOD Single : B 27 ASN :FLIP amide:sc= -0.717 F(o=-7.8!,f=-0.72) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -1.25 USER MOD Single : B 40 SER OG : rot -96:sc= 0.364 USER MOD Single : B 41 SER OG : rot 99:sc= 1.06 USER MOD Single : B 64 THR OG1 : rot -51:sc= 0.151 USER MOD Single : B 66 THR OG1 : rot 149:sc= -3.91! USER MOD Single : B 67 SER OG : rot -134:sc= -1.59! USER MOD Single : B 70 THR OG1 : rot -162:sc= 2.05 USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -13.404 10.252 -5.171 1.00 0.00 N ATOM 47 CA SER A 4 -14.080 9.002 -5.502 1.00 0.00 C ATOM 48 C SER A 4 -13.139 7.825 -5.332 1.00 0.00 C ATOM 49 O SER A 4 -11.995 8.005 -4.942 1.00 0.00 O ATOM 50 CB SER A 4 -14.583 9.038 -6.941 1.00 0.00 C ATOM 51 OG SER A 4 -15.393 10.177 -7.174 1.00 0.00 O ATOM 0 HA SER A 4 -14.925 8.885 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.734 9.046 -7.625 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.154 8.134 -7.152 1.00 0.00 H new ATOM 0 HG SER A 4 -15.113 10.905 -6.580 1.00 0.00 H new ATOM 57 N VAL A 5 -13.624 6.620 -5.614 1.00 0.00 N ATOM 58 CA VAL A 5 -12.789 5.431 -5.501 1.00 0.00 C ATOM 59 C VAL A 5 -11.875 5.298 -6.723 1.00 0.00 C ATOM 60 O VAL A 5 -10.659 5.180 -6.586 1.00 0.00 O ATOM 61 CB VAL A 5 -13.621 4.136 -5.310 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.094 4.455 -5.079 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.435 3.172 -6.483 1.00 0.00 C ATOM 0 H VAL A 5 -14.581 6.442 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.179 5.557 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.248 3.635 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.651 3.527 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.197 5.069 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.488 4.997 -5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.032 2.276 -6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.756 3.655 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.383 2.897 -6.565 1.00 0.00 H new ATOM 73 N GLY A 6 -12.469 5.312 -7.918 1.00 0.00 N ATOM 74 CA GLY A 6 -11.682 5.191 -9.133 1.00 0.00 C ATOM 75 C GLY A 6 -10.766 6.382 -9.314 1.00 0.00 C ATOM 76 O GLY A 6 -9.587 6.232 -9.648 1.00 0.00 O ATOM 0 H GLY A 6 -13.474 5.404 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.090 4.276 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.347 5.106 -9.993 1.00 0.00 H new ATOM 80 N ASP A 7 -11.310 7.573 -9.082 1.00 0.00 N ATOM 81 CA ASP A 7 -10.530 8.796 -9.190 1.00 0.00 C ATOM 82 C ASP A 7 -9.439 8.786 -8.139 1.00 0.00 C ATOM 83 O ASP A 7 -8.340 9.294 -8.360 1.00 0.00 O ATOM 84 CB ASP A 7 -11.421 10.023 -9.002 1.00 0.00 C ATOM 85 CG ASP A 7 -12.414 10.199 -10.135 1.00 0.00 C ATOM 86 OD1 ASP A 7 -13.497 9.580 -10.077 1.00 0.00 O ATOM 87 OD2 ASP A 7 -12.108 10.956 -11.080 1.00 0.00 O ATOM 0 H ASP A 7 -12.285 7.714 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.085 8.845 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.962 9.934 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.797 10.914 -8.929 1.00 0.00 H new ATOM 92 N ALA A 8 -9.759 8.205 -6.985 1.00 0.00 N ATOM 93 CA ALA A 8 -8.805 8.103 -5.901 1.00 0.00 C ATOM 94 C ALA A 8 -7.536 7.460 -6.395 1.00 0.00 C ATOM 95 O ALA A 8 -6.445 7.955 -6.145 1.00 0.00 O ATOM 96 CB ALA A 8 -9.356 7.278 -4.760 1.00 0.00 C ATOM 0 H ALA A 8 -10.673 7.800 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.603 9.112 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.616 7.220 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.265 7.745 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.586 6.273 -5.115 1.00 0.00 H new ATOM 102 N PHE A 9 -7.694 6.342 -7.099 1.00 0.00 N ATOM 103 CA PHE A 9 -6.565 5.619 -7.625 1.00 0.00 C ATOM 104 C PHE A 9 -5.674 6.528 -8.464 1.00 0.00 C ATOM 105 O PHE A 9 -4.501 6.648 -8.179 1.00 0.00 O ATOM 106 CB PHE A 9 -7.022 4.386 -8.388 1.00 0.00 C ATOM 107 CG PHE A 9 -7.200 3.226 -7.467 1.00 0.00 C ATOM 108 CD1 PHE A 9 -6.153 2.360 -7.195 1.00 0.00 C ATOM 109 CD2 PHE A 9 -8.415 3.020 -6.847 1.00 0.00 C ATOM 110 CE1 PHE A 9 -6.326 1.311 -6.318 1.00 0.00 C ATOM 111 CE2 PHE A 9 -8.590 1.973 -5.974 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.548 1.119 -5.707 1.00 0.00 C ATOM 0 H PHE A 9 -8.600 5.925 -7.313 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.957 5.270 -6.790 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.961 4.597 -8.899 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.290 4.137 -9.156 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.196 2.508 -7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.238 3.689 -7.050 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.506 0.640 -6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.547 1.822 -5.498 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.685 0.298 -5.019 1.00 0.00 H new ATOM 122 N ASP A 10 -6.236 7.248 -9.427 1.00 0.00 N ATOM 123 CA ASP A 10 -5.413 8.122 -10.274 1.00 0.00 C ATOM 124 C ASP A 10 -4.415 8.894 -9.410 1.00 0.00 C ATOM 125 O ASP A 10 -3.198 8.870 -9.644 1.00 0.00 O ATOM 126 CB ASP A 10 -6.299 9.097 -11.053 1.00 0.00 C ATOM 127 CG ASP A 10 -5.493 10.070 -11.891 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.140 11.149 -11.372 1.00 0.00 O ATOM 129 OD2 ASP A 10 -5.216 9.752 -13.067 1.00 0.00 O ATOM 0 H ASP A 10 -7.233 7.250 -9.643 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.865 7.506 -10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.971 8.534 -11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.923 9.654 -10.354 1.00 0.00 H new ATOM 134 N LYS A 11 -4.949 9.541 -8.388 1.00 0.00 N ATOM 135 CA LYS A 11 -4.149 10.307 -7.434 1.00 0.00 C ATOM 136 C LYS A 11 -3.216 9.362 -6.684 1.00 0.00 C ATOM 137 O LYS A 11 -2.015 9.596 -6.556 1.00 0.00 O ATOM 138 CB LYS A 11 -5.084 11.006 -6.449 1.00 0.00 C ATOM 139 CG LYS A 11 -4.545 12.318 -5.906 1.00 0.00 C ATOM 140 CD LYS A 11 -3.318 12.096 -5.043 1.00 0.00 C ATOM 141 CE LYS A 11 -2.731 13.411 -4.556 1.00 0.00 C ATOM 142 NZ LYS A 11 -2.287 14.273 -5.686 1.00 0.00 N ATOM 0 H LYS A 11 -5.950 9.553 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.553 11.053 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.038 11.194 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.283 10.334 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.294 12.981 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.318 12.817 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.582 11.476 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.566 11.550 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.475 13.944 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.885 13.210 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.659 15.020 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.775 13.695 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.117 14.706 -6.139 1.00 0.00 H new ATOM 156 N TYR A 12 -3.820 8.298 -6.192 1.00 0.00 N ATOM 157 CA TYR A 12 -3.153 7.234 -5.460 1.00 0.00 C ATOM 158 C TYR A 12 -1.876 6.800 -6.159 1.00 0.00 C ATOM 159 O TYR A 12 -0.778 6.976 -5.648 1.00 0.00 O ATOM 160 CB TYR A 12 -4.103 6.041 -5.465 1.00 0.00 C ATOM 161 CG TYR A 12 -4.383 5.369 -4.151 1.00 0.00 C ATOM 162 CD1 TYR A 12 -4.824 6.092 -3.050 1.00 0.00 C ATOM 163 CD2 TYR A 12 -4.261 3.989 -4.033 1.00 0.00 C ATOM 164 CE1 TYR A 12 -5.123 5.459 -1.860 1.00 0.00 C ATOM 165 CE2 TYR A 12 -4.570 3.355 -2.850 1.00 0.00 C ATOM 166 CZ TYR A 12 -4.996 4.090 -1.770 1.00 0.00 C ATOM 167 OH TYR A 12 -5.288 3.446 -0.595 1.00 0.00 O ATOM 0 H TYR A 12 -4.823 8.143 -6.293 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.903 7.582 -4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.054 6.371 -5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.698 5.292 -6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.934 7.164 -3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.920 3.408 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.454 6.032 -1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.478 2.282 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.491 3.429 -0.025 1.00 0.00 H new ATOM 177 N ASN A 13 -2.066 6.282 -7.366 1.00 0.00 N ATOM 178 CA ASN A 13 -0.999 5.740 -8.190 1.00 0.00 C ATOM 179 C ASN A 13 0.239 6.606 -8.199 1.00 0.00 C ATOM 180 O ASN A 13 1.311 6.168 -7.789 1.00 0.00 O ATOM 181 CB ASN A 13 -1.481 5.582 -9.626 1.00 0.00 C ATOM 182 CG ASN A 13 -2.971 5.303 -9.758 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.564 4.636 -8.769 1.00 0.00 O flip ATOM 184 ND2 ASN A 13 -3.589 5.685 -10.751 1.00 0.00 N flip ATOM 0 H ASN A 13 -2.985 6.227 -7.806 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.734 4.777 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.243 6.490 -10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.928 4.769 -10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.103 6.193 -11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.587 5.493 -10.835 1.00 0.00 H new ATOM 191 N GLU A 14 0.096 7.828 -8.679 1.00 0.00 N ATOM 192 CA GLU A 14 1.231 8.732 -8.742 1.00 0.00 C ATOM 193 C GLU A 14 1.928 8.784 -7.381 1.00 0.00 C ATOM 194 O GLU A 14 3.158 8.751 -7.281 1.00 0.00 O ATOM 195 CB GLU A 14 0.755 10.127 -9.172 1.00 0.00 C ATOM 196 CG GLU A 14 0.230 10.980 -8.032 1.00 0.00 C ATOM 197 CD GLU A 14 1.259 11.966 -7.515 1.00 0.00 C ATOM 198 OE1 GLU A 14 2.091 11.570 -6.672 1.00 0.00 O ATOM 199 OE2 GLU A 14 1.231 13.136 -7.952 1.00 0.00 O ATOM 0 H GLU A 14 -0.782 8.214 -9.027 1.00 0.00 H new ATOM 0 HA GLU A 14 1.949 8.371 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.582 10.650 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.030 10.017 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.652 11.525 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.088 10.332 -7.215 1.00 0.00 H new ATOM 206 N ALA A 15 1.110 8.774 -6.340 1.00 0.00 N ATOM 207 CA ALA A 15 1.570 8.864 -4.965 1.00 0.00 C ATOM 208 C ALA A 15 2.237 7.595 -4.467 1.00 0.00 C ATOM 209 O ALA A 15 3.230 7.656 -3.741 1.00 0.00 O ATOM 210 CB ALA A 15 0.380 9.183 -4.075 1.00 0.00 C ATOM 0 H ALA A 15 0.096 8.702 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 15 2.324 9.650 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.710 9.254 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.060 10.132 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.365 8.392 -4.166 1.00 0.00 H new ATOM 216 N VAL A 16 1.711 6.447 -4.856 1.00 0.00 N ATOM 217 CA VAL A 16 2.245 5.204 -4.360 1.00 0.00 C ATOM 218 C VAL A 16 3.379 4.697 -5.187 1.00 0.00 C ATOM 219 O VAL A 16 4.433 4.340 -4.664 1.00 0.00 O ATOM 220 CB VAL A 16 1.166 4.127 -4.223 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.177 4.206 -5.375 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.803 2.746 -4.126 1.00 0.00 C ATOM 0 H VAL A 16 0.928 6.355 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 16 2.633 5.426 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 16 0.611 4.304 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.581 3.432 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.302 5.185 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.704 4.058 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.023 1.991 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.387 2.551 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.456 2.707 -3.254 1.00 0.00 H new ATOM 232 N ARG A 17 3.156 4.649 -6.471 1.00 0.00 N ATOM 233 CA ARG A 17 4.159 4.163 -7.363 1.00 0.00 C ATOM 234 C ARG A 17 5.479 4.817 -7.095 1.00 0.00 C ATOM 235 O ARG A 17 6.533 4.174 -7.144 1.00 0.00 O ATOM 236 CB ARG A 17 3.687 4.300 -8.803 1.00 0.00 C ATOM 237 CG ARG A 17 2.440 3.480 -9.095 1.00 0.00 C ATOM 238 CD ARG A 17 2.297 2.288 -8.160 1.00 0.00 C ATOM 239 NE ARG A 17 0.991 2.201 -7.589 1.00 0.00 N ATOM 240 CZ ARG A 17 0.713 1.393 -6.609 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.530 0.407 -6.297 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.400 1.540 -5.965 1.00 0.00 N ATOM 0 H ARG A 17 2.287 4.941 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 17 4.320 3.099 -7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.484 5.350 -9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.487 3.988 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.560 4.117 -9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.473 3.128 -10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.513 1.371 -8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.036 2.364 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 17 0.250 2.794 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.391 0.271 -6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.301 -0.220 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.047 2.283 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.630 0.913 -5.194 1.00 0.00 H new ATOM 256 N VAL A 18 5.439 6.069 -6.744 1.00 0.00 N ATOM 257 CA VAL A 18 6.660 6.737 -6.443 1.00 0.00 C ATOM 258 C VAL A 18 7.149 6.336 -5.057 1.00 0.00 C ATOM 259 O VAL A 18 8.317 6.051 -4.881 1.00 0.00 O ATOM 260 CB VAL A 18 6.498 8.261 -6.526 1.00 0.00 C ATOM 261 CG1 VAL A 18 5.963 8.643 -7.896 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.577 8.763 -5.419 1.00 0.00 C ATOM 0 H VAL A 18 4.593 6.633 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 18 7.400 6.437 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 18 7.471 8.733 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.849 9.725 -7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.661 8.311 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.995 8.167 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.474 9.846 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.597 8.297 -5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.001 8.505 -4.448 1.00 0.00 H new ATOM 272 N PHE A 19 6.233 6.204 -4.100 1.00 0.00 N ATOM 273 CA PHE A 19 6.621 5.910 -2.728 1.00 0.00 C ATOM 274 C PHE A 19 7.274 4.527 -2.548 1.00 0.00 C ATOM 275 O PHE A 19 8.341 4.409 -1.914 1.00 0.00 O ATOM 276 CB PHE A 19 5.413 6.178 -1.775 1.00 0.00 C ATOM 277 CG PHE A 19 4.504 5.025 -1.374 1.00 0.00 C ATOM 278 CD1 PHE A 19 4.993 3.796 -0.995 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.133 5.212 -1.344 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.147 2.773 -0.612 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.276 4.195 -0.967 1.00 0.00 C ATOM 282 CZ PHE A 19 2.785 2.971 -0.604 1.00 0.00 C ATOM 0 H PHE A 19 5.228 6.295 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 19 7.423 6.593 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.811 6.614 -0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.789 6.938 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.060 3.628 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.724 6.173 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.555 1.817 -0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.209 4.362 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.121 2.170 -0.314 1.00 0.00 H new ATOM 292 N THR A 20 6.712 3.482 -3.146 1.00 0.00 N ATOM 293 CA THR A 20 7.270 2.161 -2.919 1.00 0.00 C ATOM 294 C THR A 20 8.541 1.920 -3.706 1.00 0.00 C ATOM 295 O THR A 20 9.550 1.518 -3.126 1.00 0.00 O ATOM 296 CB THR A 20 6.273 1.035 -3.192 1.00 0.00 C ATOM 297 OG1 THR A 20 5.290 0.996 -2.172 1.00 0.00 O ATOM 298 CG2 THR A 20 6.986 -0.296 -3.280 1.00 0.00 C ATOM 0 H THR A 20 5.903 3.521 -3.767 1.00 0.00 H new ATOM 0 HA THR A 20 7.515 2.144 -1.857 1.00 0.00 H new ATOM 0 HB THR A 20 5.784 1.229 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.117 1.905 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.260 -1.085 -3.475 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.715 -0.265 -4.090 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.498 -0.498 -2.339 1.00 0.00 H new ATOM 306 N GLN A 21 8.525 2.152 -5.016 1.00 0.00 N ATOM 307 CA GLN A 21 9.736 1.921 -5.773 1.00 0.00 C ATOM 308 C GLN A 21 10.804 2.893 -5.321 1.00 0.00 C ATOM 309 O GLN A 21 11.971 2.736 -5.651 1.00 0.00 O ATOM 310 CB GLN A 21 9.506 1.984 -7.277 1.00 0.00 C ATOM 311 CG GLN A 21 9.122 0.630 -7.883 1.00 0.00 C ATOM 312 CD GLN A 21 9.865 -0.534 -7.270 1.00 0.00 C ATOM 313 OE1 GLN A 21 9.281 -1.105 -6.219 1.00 0.00 O flip ATOM 314 NE2 GLN A 21 10.941 -0.917 -7.728 1.00 0.00 N flip ATOM 0 H GLN A 21 7.722 2.485 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 21 10.076 0.905 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.718 2.707 -7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.411 2.349 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.051 0.475 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.317 0.652 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.348 -0.446 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.426 -1.706 -7.300 1.00 0.00 H new ATOM 323 N LEU A 22 10.405 3.910 -4.561 1.00 0.00 N ATOM 324 CA LEU A 22 11.383 4.832 -4.024 1.00 0.00 C ATOM 325 C LEU A 22 12.325 4.024 -3.167 1.00 0.00 C ATOM 326 O LEU A 22 13.541 4.187 -3.236 1.00 0.00 O ATOM 327 CB LEU A 22 10.740 5.944 -3.184 1.00 0.00 C ATOM 328 CG LEU A 22 10.434 7.270 -3.907 1.00 0.00 C ATOM 329 CD1 LEU A 22 11.188 8.410 -3.251 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.758 7.210 -5.402 1.00 0.00 C ATOM 0 H LEU A 22 9.436 4.108 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 22 11.902 5.326 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.808 5.560 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.399 6.159 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 22 9.362 7.445 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.964 9.341 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.884 8.494 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.259 8.215 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.524 8.169 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.817 6.991 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.163 6.427 -5.872 1.00 0.00 H new ATOM 342 N SER A 23 11.749 3.130 -2.362 1.00 0.00 N ATOM 343 CA SER A 23 12.567 2.268 -1.514 1.00 0.00 C ATOM 344 C SER A 23 13.296 1.192 -2.336 1.00 0.00 C ATOM 345 O SER A 23 14.497 0.982 -2.159 1.00 0.00 O ATOM 346 CB SER A 23 11.726 1.624 -0.403 1.00 0.00 C ATOM 347 OG SER A 23 11.482 2.549 0.643 1.00 0.00 O ATOM 0 H SER A 23 10.742 2.987 -2.281 1.00 0.00 H new ATOM 0 HA SER A 23 13.323 2.899 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.779 1.274 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.244 0.750 -0.008 1.00 0.00 H new ATOM 0 HG SER A 23 10.518 2.709 0.720 1.00 0.00 H new ATOM 353 N SER A 24 12.582 0.514 -3.238 1.00 0.00 N ATOM 354 CA SER A 24 13.193 -0.535 -4.062 1.00 0.00 C ATOM 355 C SER A 24 14.211 0.021 -5.038 1.00 0.00 C ATOM 356 O SER A 24 15.383 -0.352 -4.998 1.00 0.00 O ATOM 357 CB SER A 24 12.138 -1.306 -4.839 1.00 0.00 C ATOM 358 OG SER A 24 12.730 -2.102 -5.851 1.00 0.00 O ATOM 0 H SER A 24 11.590 0.669 -3.416 1.00 0.00 H new ATOM 0 HA SER A 24 13.704 -1.205 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.572 -1.941 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.430 -0.609 -5.288 1.00 0.00 H new ATOM 0 HG SER A 24 12.731 -3.041 -5.570 1.00 0.00 H new ATOM 364 N ALA A 25 13.754 0.896 -5.927 1.00 0.00 N ATOM 365 CA ALA A 25 14.634 1.500 -6.912 1.00 0.00 C ATOM 366 C ALA A 25 15.878 2.011 -6.213 1.00 0.00 C ATOM 367 O ALA A 25 16.976 1.981 -6.764 1.00 0.00 O ATOM 368 CB ALA A 25 13.919 2.629 -7.652 1.00 0.00 C ATOM 0 H ALA A 25 12.782 1.200 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 25 14.920 0.753 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.595 3.069 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.041 2.232 -8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.611 3.393 -6.939 1.00 0.00 H new ATOM 374 N ALA A 26 15.691 2.442 -4.970 1.00 0.00 N ATOM 375 CA ALA A 26 16.787 2.954 -4.162 1.00 0.00 C ATOM 376 C ALA A 26 17.873 1.904 -3.960 1.00 0.00 C ATOM 377 O ALA A 26 19.060 2.219 -4.047 1.00 0.00 O ATOM 378 CB ALA A 26 16.277 3.449 -2.816 1.00 0.00 C ATOM 0 H ALA A 26 14.786 2.446 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 26 17.227 3.792 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.112 3.828 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.552 4.248 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.801 2.626 -2.283 1.00 0.00 H new ATOM 384 N ASN A 27 17.481 0.656 -3.691 1.00 0.00 N ATOM 385 CA ASN A 27 18.481 -0.388 -3.474 1.00 0.00 C ATOM 386 C ASN A 27 17.956 -1.821 -3.639 1.00 0.00 C ATOM 387 O ASN A 27 18.672 -2.672 -4.168 1.00 0.00 O ATOM 388 CB ASN A 27 19.104 -0.234 -2.083 1.00 0.00 C ATOM 389 CG ASN A 27 18.109 0.218 -1.025 1.00 0.00 C ATOM 390 OD1 ASN A 27 16.822 -0.029 -1.258 1.00 0.00 O flip ATOM 391 ND2 ASN A 27 18.494 0.795 -0.008 1.00 0.00 N flip ATOM 0 H ASN A 27 16.510 0.351 -3.620 1.00 0.00 H new ATOM 0 HA ASN A 27 19.225 -0.245 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.539 -1.186 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.920 0.487 -2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 27 19.489 0.966 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.818 1.102 0.691 1.00 0.00 H new ATOM 398 N CYS A 28 16.726 -2.103 -3.206 1.00 0.00 N ATOM 399 CA CYS A 28 16.205 -3.469 -3.290 1.00 0.00 C ATOM 400 C CYS A 28 14.745 -3.563 -2.863 1.00 0.00 C ATOM 401 O CYS A 28 14.219 -2.658 -2.245 1.00 0.00 O ATOM 402 CB CYS A 28 17.056 -4.369 -2.387 1.00 0.00 C ATOM 403 SG CYS A 28 16.151 -5.698 -1.539 1.00 0.00 S ATOM 0 H CYS A 28 16.084 -1.421 -2.802 1.00 0.00 H new ATOM 0 HA CYS A 28 16.258 -3.788 -4.331 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.846 -4.817 -2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.542 -3.746 -1.636 1.00 0.00 H new ATOM 408 N ASP A 29 14.102 -4.669 -3.217 1.00 0.00 N ATOM 409 CA ASP A 29 12.709 -4.921 -2.840 1.00 0.00 C ATOM 410 C ASP A 29 12.624 -6.129 -1.907 1.00 0.00 C ATOM 411 O ASP A 29 13.445 -7.041 -2.007 1.00 0.00 O ATOM 412 CB ASP A 29 11.859 -5.180 -4.086 1.00 0.00 C ATOM 413 CG ASP A 29 12.669 -5.772 -5.223 1.00 0.00 C ATOM 414 OD1 ASP A 29 12.813 -7.012 -5.266 1.00 0.00 O ATOM 415 OD2 ASP A 29 13.159 -4.996 -6.070 1.00 0.00 O ATOM 0 H ASP A 29 14.525 -5.415 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 29 12.329 -4.040 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.044 -5.858 -3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.406 -4.245 -4.414 1.00 0.00 H new ATOM 420 N TRP A 30 11.640 -6.152 -0.998 1.00 0.00 N ATOM 421 CA TRP A 30 11.512 -7.292 -0.095 1.00 0.00 C ATOM 422 C TRP A 30 11.105 -8.510 -0.916 1.00 0.00 C ATOM 423 O TRP A 30 11.685 -9.587 -0.777 1.00 0.00 O ATOM 424 CB TRP A 30 10.527 -7.023 1.073 1.00 0.00 C ATOM 425 CG TRP A 30 9.195 -6.503 0.681 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.219 -7.108 -0.052 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.690 -5.242 1.066 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.154 -6.254 -0.190 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.429 -5.100 0.496 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.210 -4.206 1.830 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.681 -3.954 0.664 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.467 -3.071 2.006 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.216 -2.947 1.424 1.00 0.00 C ATOM 0 H TRP A 30 10.944 -5.417 -0.873 1.00 0.00 H new ATOM 0 HA TRP A 30 12.474 -7.475 0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.386 -7.951 1.627 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.988 -6.311 1.757 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.275 -8.106 -0.461 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.301 -6.446 -0.715 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.188 -4.295 2.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.706 -3.853 0.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.860 -2.263 2.605 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.651 -2.039 1.572 1.00 0.00 H new ATOM 444 N ALA A 31 10.124 -8.296 -1.800 1.00 0.00 N ATOM 445 CA ALA A 31 9.617 -9.322 -2.711 1.00 0.00 C ATOM 446 C ALA A 31 8.837 -10.412 -1.979 1.00 0.00 C ATOM 447 O ALA A 31 7.781 -10.856 -2.430 1.00 0.00 O ATOM 448 CB ALA A 31 10.766 -9.924 -3.495 1.00 0.00 C ATOM 0 H ALA A 31 9.656 -7.395 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 31 8.920 -8.841 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.384 -10.688 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.262 -9.143 -4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.480 -10.375 -2.806 1.00 0.00 H new ATOM 454 N ALA A 32 9.366 -10.839 -0.852 1.00 0.00 N ATOM 455 CA ALA A 32 8.731 -11.878 -0.058 1.00 0.00 C ATOM 456 C ALA A 32 7.449 -11.369 0.589 1.00 0.00 C ATOM 457 O ALA A 32 6.421 -12.052 0.588 1.00 0.00 O ATOM 458 CB ALA A 32 9.692 -12.392 1.004 1.00 0.00 C ATOM 0 H ALA A 32 10.238 -10.483 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 32 8.469 -12.700 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.203 -13.170 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.579 -12.804 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.983 -11.571 1.660 1.00 0.00 H new ATOM 464 N CYS A 33 7.510 -10.159 1.129 1.00 0.00 N ATOM 465 CA CYS A 33 6.359 -9.572 1.795 1.00 0.00 C ATOM 466 C CYS A 33 5.227 -9.279 0.829 1.00 0.00 C ATOM 467 O CYS A 33 4.080 -9.584 1.112 1.00 0.00 O ATOM 468 CB CYS A 33 6.741 -8.298 2.529 1.00 0.00 C ATOM 469 SG CYS A 33 6.193 -8.277 4.271 1.00 0.00 S ATOM 0 H CYS A 33 8.341 -9.568 1.118 1.00 0.00 H new ATOM 0 HA CYS A 33 6.009 -10.311 2.515 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.824 -8.178 2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.308 -7.443 2.009 1.00 0.00 H new ATOM 474 N LEU A 34 5.525 -8.680 -0.305 1.00 0.00 N ATOM 475 CA LEU A 34 4.468 -8.376 -1.248 1.00 0.00 C ATOM 476 C LEU A 34 3.665 -9.629 -1.556 1.00 0.00 C ATOM 477 O LEU A 34 2.440 -9.581 -1.645 1.00 0.00 O ATOM 478 CB LEU A 34 5.017 -7.719 -2.503 1.00 0.00 C ATOM 479 CG LEU A 34 6.389 -8.212 -2.929 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.258 -9.223 -4.054 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.260 -7.044 -3.343 1.00 0.00 C ATOM 0 H LEU A 34 6.463 -8.400 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 34 3.791 -7.652 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.316 -7.886 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.067 -6.642 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 34 6.867 -8.707 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.249 -9.568 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.665 -10.072 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.767 -8.756 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.241 -7.411 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.794 -6.521 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.373 -6.359 -2.503 1.00 0.00 H new ATOM 493 N SER A 35 4.347 -10.757 -1.696 1.00 0.00 N ATOM 494 CA SER A 35 3.653 -12.013 -1.928 1.00 0.00 C ATOM 495 C SER A 35 2.630 -12.215 -0.814 1.00 0.00 C ATOM 496 O SER A 35 1.541 -12.747 -1.028 1.00 0.00 O ATOM 497 CB SER A 35 4.645 -13.172 -1.930 1.00 0.00 C ATOM 498 OG SER A 35 4.006 -14.393 -2.262 1.00 0.00 O ATOM 0 H SER A 35 5.364 -10.828 -1.654 1.00 0.00 H new ATOM 0 HA SER A 35 3.154 -11.982 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.443 -12.970 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.111 -13.257 -0.948 1.00 0.00 H new ATOM 0 HG SER A 35 4.665 -15.119 -2.258 1.00 0.00 H new ATOM 504 N SER A 36 3.019 -11.770 0.379 1.00 0.00 N ATOM 505 CA SER A 36 2.182 -11.859 1.583 1.00 0.00 C ATOM 506 C SER A 36 0.784 -11.250 1.377 1.00 0.00 C ATOM 507 O SER A 36 -0.209 -11.828 1.815 1.00 0.00 O ATOM 508 CB SER A 36 2.886 -11.175 2.761 1.00 0.00 C ATOM 509 OG SER A 36 2.524 -11.773 3.994 1.00 0.00 O ATOM 0 H SER A 36 3.927 -11.335 0.543 1.00 0.00 H new ATOM 0 HA SER A 36 2.041 -12.918 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.966 -11.237 2.628 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.627 -10.116 2.778 1.00 0.00 H new ATOM 0 HG SER A 36 2.989 -11.318 4.727 1.00 0.00 H new ATOM 515 N LEU A 37 0.695 -10.079 0.737 1.00 0.00 N ATOM 516 CA LEU A 37 -0.621 -9.463 0.490 1.00 0.00 C ATOM 517 C LEU A 37 -1.365 -10.338 -0.483 1.00 0.00 C ATOM 518 O LEU A 37 -2.496 -10.750 -0.238 1.00 0.00 O ATOM 519 CB LEU A 37 -0.529 -8.038 -0.076 1.00 0.00 C ATOM 520 CG LEU A 37 -1.794 -7.541 -0.776 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.929 -7.374 0.214 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.540 -6.247 -1.510 1.00 0.00 C ATOM 0 H LEU A 37 1.492 -9.548 0.387 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.138 -9.382 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.289 -7.354 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.300 -7.996 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.083 -8.294 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.818 -7.020 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.144 -8.333 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.643 -6.650 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.458 -5.919 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.213 -5.485 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.765 -6.401 -2.261 1.00 0.00 H new ATOM 534 N SER A 38 -0.701 -10.623 -1.594 1.00 0.00 N ATOM 535 CA SER A 38 -1.259 -11.484 -2.615 1.00 0.00 C ATOM 536 C SER A 38 -1.421 -12.901 -2.066 1.00 0.00 C ATOM 537 O SER A 38 -1.827 -13.816 -2.776 1.00 0.00 O ATOM 538 CB SER A 38 -0.361 -11.478 -3.857 1.00 0.00 C ATOM 539 OG SER A 38 -0.161 -12.787 -4.361 1.00 0.00 O ATOM 0 H SER A 38 0.230 -10.266 -1.808 1.00 0.00 H new ATOM 0 HA SER A 38 -2.242 -11.111 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.811 -10.855 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.602 -11.032 -3.609 1.00 0.00 H new ATOM 0 HG SER A 38 0.414 -12.748 -5.153 1.00 0.00 H new ATOM 545 N ALA A 39 -1.092 -13.064 -0.787 1.00 0.00 N ATOM 546 CA ALA A 39 -1.209 -14.350 -0.114 1.00 0.00 C ATOM 547 C ALA A 39 -2.537 -14.434 0.629 1.00 0.00 C ATOM 548 O ALA A 39 -3.325 -15.342 0.370 1.00 0.00 O ATOM 549 CB ALA A 39 -0.044 -14.564 0.842 1.00 0.00 C ATOM 0 H ALA A 39 -0.740 -12.313 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.180 -15.140 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.150 -15.530 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.893 -14.542 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.039 -13.773 1.592 1.00 0.00 H new ATOM 555 N SER A 40 -2.755 -13.473 1.551 1.00 0.00 N ATOM 556 CA SER A 40 -3.993 -13.366 2.351 1.00 0.00 C ATOM 557 C SER A 40 -3.711 -12.923 3.781 1.00 0.00 C ATOM 558 O SER A 40 -2.962 -13.576 4.509 1.00 0.00 O ATOM 559 CB SER A 40 -4.774 -14.684 2.402 1.00 0.00 C ATOM 560 OG SER A 40 -3.971 -15.735 2.911 1.00 0.00 O ATOM 0 H SER A 40 -2.073 -12.745 1.763 1.00 0.00 H new ATOM 0 HA SER A 40 -4.596 -12.612 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.658 -14.562 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.124 -14.941 1.402 1.00 0.00 H new ATOM 0 HG SER A 40 -3.593 -16.248 2.166 1.00 0.00 H new ATOM 566 N SER A 41 -4.317 -11.806 4.176 1.00 0.00 N ATOM 567 CA SER A 41 -4.178 -11.298 5.532 1.00 0.00 C ATOM 568 C SER A 41 -5.559 -11.156 6.140 1.00 0.00 C ATOM 569 O SER A 41 -6.468 -10.622 5.508 1.00 0.00 O ATOM 570 CB SER A 41 -3.463 -9.946 5.560 1.00 0.00 C ATOM 571 OG SER A 41 -2.394 -9.916 4.629 1.00 0.00 O ATOM 0 H SER A 41 -4.910 -11.236 3.572 1.00 0.00 H new ATOM 0 HA SER A 41 -3.574 -12.001 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.172 -9.151 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.082 -9.753 6.563 1.00 0.00 H new ATOM 0 HG SER A 41 -2.735 -9.656 3.748 1.00 0.00 H new ATOM 577 N ALA A 42 -5.709 -11.627 7.366 1.00 0.00 N ATOM 578 CA ALA A 42 -6.992 -11.560 8.061 1.00 0.00 C ATOM 579 C ALA A 42 -7.472 -10.121 8.157 1.00 0.00 C ATOM 580 O ALA A 42 -8.604 -9.848 8.559 1.00 0.00 O ATOM 581 CB ALA A 42 -6.869 -12.167 9.448 1.00 0.00 C ATOM 0 H ALA A 42 -4.960 -12.061 7.905 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.725 -12.131 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.832 -12.111 9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.563 -13.210 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.124 -11.616 10.021 1.00 0.00 H new ATOM 587 N ALA A 43 -6.593 -9.210 7.776 1.00 0.00 N ATOM 588 CA ALA A 43 -6.872 -7.791 7.836 1.00 0.00 C ATOM 589 C ALA A 43 -7.585 -7.262 6.602 1.00 0.00 C ATOM 590 O ALA A 43 -8.695 -6.760 6.712 1.00 0.00 O ATOM 591 CB ALA A 43 -5.570 -7.039 8.064 1.00 0.00 C ATOM 0 H ALA A 43 -5.666 -9.437 7.416 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.558 -7.628 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.771 -5.969 8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.121 -7.365 9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.883 -7.244 7.243 1.00 0.00 H new ATOM 597 N CYS A 44 -6.961 -7.381 5.437 1.00 0.00 N ATOM 598 CA CYS A 44 -7.553 -6.861 4.205 1.00 0.00 C ATOM 599 C CYS A 44 -9.047 -7.150 4.110 1.00 0.00 C ATOM 600 O CYS A 44 -9.811 -6.360 3.550 1.00 0.00 O ATOM 601 CB CYS A 44 -6.812 -7.388 2.983 1.00 0.00 C ATOM 602 SG CYS A 44 -5.695 -8.789 3.316 1.00 0.00 S ATOM 0 H CYS A 44 -6.052 -7.829 5.316 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.445 -5.777 4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.544 -7.694 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.232 -6.574 2.547 1.00 0.00 H new ATOM 607 N ILE A 45 -9.461 -8.275 4.658 1.00 0.00 N ATOM 608 CA ILE A 45 -10.864 -8.651 4.643 1.00 0.00 C ATOM 609 C ILE A 45 -11.614 -7.988 5.797 1.00 0.00 C ATOM 610 O ILE A 45 -12.684 -7.359 5.617 1.00 0.00 O ATOM 611 CB ILE A 45 -11.041 -10.178 4.697 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.761 -10.879 4.239 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.214 -10.603 3.824 1.00 0.00 C ATOM 614 CD1 ILE A 45 -9.102 -11.702 5.324 1.00 0.00 C ATOM 0 H ILE A 45 -8.847 -8.946 5.120 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.287 -8.299 3.702 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.247 -10.468 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.993 -11.527 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.054 -10.130 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.329 -11.686 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.126 -10.126 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.028 -10.302 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.201 -12.170 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.838 -11.056 6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.792 -12.474 5.665 1.00 0.00 H new ATOM 626 N ALA A 46 -11.024 -8.078 6.985 1.00 0.00 N ATOM 627 CA ALA A 46 -11.646 -7.463 8.155 1.00 0.00 C ATOM 628 C ALA A 46 -11.784 -5.989 7.842 1.00 0.00 C ATOM 629 O ALA A 46 -12.594 -5.242 8.406 1.00 0.00 O ATOM 630 CB ALA A 46 -10.809 -7.692 9.404 1.00 0.00 C ATOM 0 H ALA A 46 -10.141 -8.556 7.163 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.620 -7.906 8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.296 -7.223 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.710 -8.762 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.820 -7.255 9.265 1.00 0.00 H new ATOM 636 N ALA A 47 -10.973 -5.614 6.877 1.00 0.00 N ATOM 637 CA ALA A 47 -10.906 -4.278 6.373 1.00 0.00 C ATOM 638 C ALA A 47 -12.166 -3.945 5.609 1.00 0.00 C ATOM 639 O ALA A 47 -12.766 -2.893 5.821 1.00 0.00 O ATOM 640 CB ALA A 47 -9.706 -4.167 5.464 1.00 0.00 C ATOM 0 H ALA A 47 -10.328 -6.255 6.415 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.812 -3.576 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.640 -3.153 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.801 -4.397 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.809 -4.871 4.638 1.00 0.00 H new ATOM 646 N VAL A 48 -12.580 -4.867 4.738 1.00 0.00 N ATOM 647 CA VAL A 48 -13.769 -4.659 3.923 1.00 0.00 C ATOM 648 C VAL A 48 -14.852 -4.015 4.741 1.00 0.00 C ATOM 649 O VAL A 48 -15.604 -3.172 4.254 1.00 0.00 O ATOM 650 CB VAL A 48 -14.323 -5.983 3.359 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.460 -5.720 2.381 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.227 -6.795 2.701 1.00 0.00 C ATOM 0 H VAL A 48 -12.110 -5.759 4.582 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.473 -4.016 3.094 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.717 -6.564 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.835 -6.668 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.265 -5.192 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.095 -5.111 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.645 -7.723 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.791 -6.222 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.454 -7.025 3.434 1.00 0.00 H new ATOM 662 N GLY A 49 -14.928 -4.422 5.984 1.00 0.00 N ATOM 663 CA GLY A 49 -15.946 -3.866 6.857 1.00 0.00 C ATOM 664 C GLY A 49 -15.580 -2.588 7.605 1.00 0.00 C ATOM 665 O GLY A 49 -16.473 -1.830 7.975 1.00 0.00 O ATOM 0 H GLY A 49 -14.317 -5.118 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.836 -3.668 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.217 -4.625 7.591 1.00 0.00 H new ATOM 669 N GLU A 50 -14.298 -2.304 7.808 1.00 0.00 N ATOM 670 CA GLU A 50 -13.932 -1.144 8.634 1.00 0.00 C ATOM 671 C GLU A 50 -13.498 0.172 7.949 1.00 0.00 C ATOM 672 O GLU A 50 -12.680 0.877 8.524 1.00 0.00 O ATOM 673 CB GLU A 50 -12.947 -1.520 9.724 1.00 0.00 C ATOM 674 CG GLU A 50 -13.256 -0.787 11.010 1.00 0.00 C ATOM 675 CD GLU A 50 -12.043 -0.612 11.901 1.00 0.00 C ATOM 676 OE1 GLU A 50 -11.485 -1.634 12.351 1.00 0.00 O ATOM 677 OE2 GLU A 50 -11.651 0.548 12.150 1.00 0.00 O ATOM 0 H GLU A 50 -13.514 -2.836 7.430 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.907 -0.879 9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.983 -2.596 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.933 -1.283 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.669 0.193 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.025 -1.333 11.557 1.00 0.00 H new ATOM 684 N LEU A 51 -13.892 0.439 6.700 1.00 0.00 N ATOM 685 CA LEU A 51 -13.601 1.747 6.049 1.00 0.00 C ATOM 686 C LEU A 51 -12.553 1.641 4.983 1.00 0.00 C ATOM 687 O LEU A 51 -11.340 1.509 5.257 1.00 0.00 O ATOM 688 CB LEU A 51 -13.235 2.860 7.020 1.00 0.00 C ATOM 689 CG LEU A 51 -13.373 4.271 6.442 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.836 4.638 6.218 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.682 5.296 7.330 1.00 0.00 C ATOM 0 H LEU A 51 -14.409 -0.217 6.114 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.548 2.024 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.868 2.778 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.207 2.714 7.350 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.878 4.280 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.900 5.646 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.285 3.932 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.370 4.599 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.796 6.289 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.132 5.280 8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.622 5.054 7.409 1.00 0.00 H new ATOM 703 N GLY A 52 -13.073 1.729 3.760 1.00 0.00 N ATOM 704 CA GLY A 52 -12.303 1.602 2.557 1.00 0.00 C ATOM 705 C GLY A 52 -11.395 0.442 2.665 1.00 0.00 C ATOM 706 O GLY A 52 -10.466 0.278 1.879 1.00 0.00 O ATOM 0 H GLY A 52 -14.065 1.895 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.966 1.478 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.727 2.511 2.385 1.00 0.00 H new ATOM 710 N LEU A 53 -11.720 -0.360 3.664 1.00 0.00 N ATOM 711 CA LEU A 53 -11.005 -1.544 4.016 1.00 0.00 C ATOM 712 C LEU A 53 -10.011 -1.193 5.104 1.00 0.00 C ATOM 713 O LEU A 53 -8.815 -1.443 4.955 1.00 0.00 O ATOM 714 CB LEU A 53 -10.315 -2.209 2.815 1.00 0.00 C ATOM 715 CG LEU A 53 -11.198 -2.536 1.591 1.00 0.00 C ATOM 716 CD1 LEU A 53 -10.986 -3.974 1.137 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.671 -2.279 1.881 1.00 0.00 C ATOM 0 H LEU A 53 -12.523 -0.185 4.267 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.717 -2.284 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.507 -1.556 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.856 -3.136 3.159 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.896 -1.870 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.619 -4.180 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.941 -4.119 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.246 -4.654 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.263 -2.520 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.992 -2.904 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.813 -1.229 2.138 1.00 0.00 H new ATOM 729 N ASP A 54 -10.525 -0.601 6.210 1.00 0.00 N ATOM 730 CA ASP A 54 -9.681 -0.201 7.331 1.00 0.00 C ATOM 731 C ASP A 54 -8.242 -0.216 6.919 1.00 0.00 C ATOM 732 O ASP A 54 -7.636 -1.279 6.883 1.00 0.00 O ATOM 733 CB ASP A 54 -9.843 -1.157 8.498 1.00 0.00 C ATOM 734 CG ASP A 54 -9.685 -0.467 9.838 1.00 0.00 C ATOM 735 OD1 ASP A 54 -10.190 0.665 9.986 1.00 0.00 O ATOM 736 OD2 ASP A 54 -9.049 -1.056 10.738 1.00 0.00 O ATOM 0 H ASP A 54 -11.516 -0.397 6.337 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.984 0.802 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.826 -1.624 8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.106 -1.956 8.415 1.00 0.00 H new ATOM 741 N VAL A 55 -7.692 0.928 6.578 1.00 0.00 N ATOM 742 CA VAL A 55 -6.288 0.940 6.161 1.00 0.00 C ATOM 743 C VAL A 55 -5.425 0.045 7.041 1.00 0.00 C ATOM 744 O VAL A 55 -4.643 -0.740 6.502 1.00 0.00 O ATOM 745 CB VAL A 55 -5.651 2.344 6.081 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.778 2.657 7.297 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.834 2.443 4.803 1.00 0.00 C ATOM 0 H VAL A 55 -8.163 1.833 6.576 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.314 0.547 5.145 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.453 3.082 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.353 3.655 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.385 2.614 8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.973 1.925 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.380 3.432 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.052 1.684 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.484 2.284 3.942 1.00 0.00 H new ATOM 757 N PRO A 56 -5.565 0.110 8.399 1.00 0.00 N ATOM 758 CA PRO A 56 -4.752 -0.713 9.294 1.00 0.00 C ATOM 759 C PRO A 56 -4.908 -2.176 8.953 1.00 0.00 C ATOM 760 O PRO A 56 -4.103 -3.016 9.357 1.00 0.00 O ATOM 761 CB PRO A 56 -5.311 -0.417 10.690 1.00 0.00 C ATOM 762 CG PRO A 56 -5.991 0.899 10.555 1.00 0.00 C ATOM 763 CD PRO A 56 -6.540 0.927 9.160 1.00 0.00 C ATOM 0 HA PRO A 56 -3.687 -0.492 9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.008 -1.192 11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.516 -0.377 11.434 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.787 1.006 11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.293 1.720 10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.544 0.504 9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.604 1.944 8.772 1.00 0.00 H new ATOM 771 N LEU A 57 -5.996 -2.480 8.265 1.00 0.00 N ATOM 772 CA LEU A 57 -6.259 -3.828 7.836 1.00 0.00 C ATOM 773 C LEU A 57 -5.834 -4.087 6.385 1.00 0.00 C ATOM 774 O LEU A 57 -4.883 -4.817 6.143 1.00 0.00 O ATOM 775 CB LEU A 57 -7.727 -4.179 8.030 1.00 0.00 C ATOM 776 CG LEU A 57 -8.257 -4.017 9.460 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.718 -4.419 9.536 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.433 -4.838 10.440 1.00 0.00 C ATOM 0 H LEU A 57 -6.709 -1.803 7.995 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.649 -4.477 8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.324 -3.554 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.881 -5.212 7.718 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.170 -2.966 9.735 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.076 -4.297 10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.304 -3.788 8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.825 -5.461 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.828 -4.707 11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.484 -5.891 10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.395 -4.505 10.411 1.00 0.00 H new ATOM 790 N ASP A 58 -6.546 -3.475 5.427 1.00 0.00 N ATOM 791 CA ASP A 58 -6.292 -3.698 3.995 1.00 0.00 C ATOM 792 C ASP A 58 -5.007 -3.121 3.452 1.00 0.00 C ATOM 793 O ASP A 58 -4.167 -3.865 2.965 1.00 0.00 O ATOM 794 CB ASP A 58 -7.431 -3.148 3.170 1.00 0.00 C ATOM 795 CG ASP A 58 -7.190 -3.275 1.678 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.254 -4.003 1.288 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.936 -2.645 0.900 1.00 0.00 O ATOM 0 H ASP A 58 -7.304 -2.820 5.618 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.201 -4.781 3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.350 -3.673 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.582 -2.098 3.421 1.00 0.00 H new ATOM 802 N LEU A 59 -4.850 -1.812 3.487 1.00 0.00 N ATOM 803 CA LEU A 59 -3.652 -1.231 2.926 1.00 0.00 C ATOM 804 C LEU A 59 -2.497 -1.563 3.795 1.00 0.00 C ATOM 805 O LEU A 59 -1.360 -1.335 3.443 1.00 0.00 O ATOM 806 CB LEU A 59 -3.778 0.249 2.652 1.00 0.00 C ATOM 807 CG LEU A 59 -3.958 0.567 1.168 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.641 0.473 0.449 1.00 0.00 C ATOM 809 CD2 LEU A 59 -4.965 -0.380 0.513 1.00 0.00 C ATOM 0 H LEU A 59 -5.516 -1.150 3.885 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.486 -1.670 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.627 0.645 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.888 0.759 3.022 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.342 1.585 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.786 0.702 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.938 1.185 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.243 -0.537 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.070 -0.127 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.612 -1.407 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.931 -0.282 1.007 1.00 0.00 H new ATOM 821 N ALA A 60 -2.832 -2.024 4.973 1.00 0.00 N ATOM 822 CA ALA A 60 -1.852 -2.475 5.923 1.00 0.00 C ATOM 823 C ALA A 60 -1.555 -3.927 5.597 1.00 0.00 C ATOM 824 O ALA A 60 -0.462 -4.421 5.835 1.00 0.00 O ATOM 825 CB ALA A 60 -2.371 -2.317 7.327 1.00 0.00 C ATOM 0 H ALA A 60 -3.796 -2.097 5.300 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.939 -1.883 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.617 -2.663 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.592 -1.267 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.280 -2.907 7.448 1.00 0.00 H new ATOM 831 N CYS A 61 -2.578 -4.602 5.063 1.00 0.00 N ATOM 832 CA CYS A 61 -2.450 -5.978 4.600 1.00 0.00 C ATOM 833 C CYS A 61 -1.592 -5.908 3.348 1.00 0.00 C ATOM 834 O CYS A 61 -0.724 -6.745 3.073 1.00 0.00 O ATOM 835 CB CYS A 61 -3.836 -6.560 4.269 1.00 0.00 C ATOM 836 SG CYS A 61 -3.827 -7.984 3.131 1.00 0.00 S ATOM 0 H CYS A 61 -3.511 -4.208 4.942 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.005 -6.622 5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.318 -6.862 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.449 -5.771 3.834 1.00 0.00 H new ATOM 841 N ALA A 62 -1.828 -4.827 2.624 1.00 0.00 N ATOM 842 CA ALA A 62 -1.129 -4.541 1.400 1.00 0.00 C ATOM 843 C ALA A 62 0.233 -3.922 1.699 1.00 0.00 C ATOM 844 O ALA A 62 1.232 -4.264 1.063 1.00 0.00 O ATOM 845 CB ALA A 62 -1.980 -3.630 0.535 1.00 0.00 C ATOM 0 H ALA A 62 -2.519 -4.121 2.879 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.952 -5.467 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.452 -3.412 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.925 -4.123 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.175 -2.700 1.068 1.00 0.00 H new ATOM 851 N ALA A 63 0.260 -3.012 2.680 1.00 0.00 N ATOM 852 CA ALA A 63 1.497 -2.361 3.099 1.00 0.00 C ATOM 853 C ALA A 63 2.393 -3.394 3.715 1.00 0.00 C ATOM 854 O ALA A 63 3.613 -3.343 3.589 1.00 0.00 O ATOM 855 CB ALA A 63 1.236 -1.259 4.106 1.00 0.00 C ATOM 0 H ALA A 63 -0.566 -2.712 3.197 1.00 0.00 H new ATOM 0 HA ALA A 63 1.966 -1.909 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.181 -0.798 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.586 -0.506 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.754 -1.679 4.988 1.00 0.00 H new ATOM 861 N THR A 64 1.763 -4.347 4.382 1.00 0.00 N ATOM 862 CA THR A 64 2.504 -5.430 4.991 1.00 0.00 C ATOM 863 C THR A 64 2.932 -6.370 3.886 1.00 0.00 C ATOM 864 O THR A 64 3.359 -7.497 4.135 1.00 0.00 O ATOM 865 CB THR A 64 1.715 -6.203 6.089 1.00 0.00 C ATOM 866 OG1 THR A 64 2.629 -6.953 6.897 1.00 0.00 O ATOM 867 CG2 THR A 64 0.671 -7.156 5.506 1.00 0.00 C ATOM 0 H THR A 64 0.752 -4.390 4.513 1.00 0.00 H new ATOM 0 HA THR A 64 3.360 -5.000 5.511 1.00 0.00 H new ATOM 0 HB THR A 64 1.187 -5.459 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.259 -7.433 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.152 -7.667 6.317 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.049 -6.590 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.164 -7.891 4.870 1.00 0.00 H new ATOM 875 N ALA A 65 2.809 -5.883 2.641 1.00 0.00 N ATOM 876 CA ALA A 65 3.163 -6.689 1.494 1.00 0.00 C ATOM 877 C ALA A 65 3.369 -5.899 0.185 1.00 0.00 C ATOM 878 O ALA A 65 4.417 -5.306 -0.013 1.00 0.00 O ATOM 879 CB ALA A 65 2.114 -7.744 1.316 1.00 0.00 C ATOM 0 H ALA A 65 2.471 -4.947 2.419 1.00 0.00 H new ATOM 0 HA ALA A 65 4.138 -7.128 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.363 -8.363 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.069 -8.367 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.146 -7.271 1.154 1.00 0.00 H new ATOM 885 N THR A 66 2.379 -5.911 -0.724 1.00 0.00 N ATOM 886 CA THR A 66 2.544 -5.258 -2.039 1.00 0.00 C ATOM 887 C THR A 66 2.317 -3.759 -2.027 1.00 0.00 C ATOM 888 O THR A 66 3.129 -3.030 -2.590 1.00 0.00 O ATOM 889 CB THR A 66 1.643 -5.851 -3.132 1.00 0.00 C ATOM 890 OG1 THR A 66 0.366 -5.224 -3.092 1.00 0.00 O ATOM 891 CG2 THR A 66 1.487 -7.351 -2.978 1.00 0.00 C ATOM 0 H THR A 66 1.472 -6.356 -0.580 1.00 0.00 H new ATOM 0 HA THR A 66 3.591 -5.456 -2.269 1.00 0.00 H new ATOM 0 HB THR A 66 2.117 -5.665 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.007 -5.183 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.843 -7.733 -3.770 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.465 -7.827 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.041 -7.573 -2.009 1.00 0.00 H new ATOM 899 N SER A 67 1.227 -3.273 -1.422 1.00 0.00 N ATOM 900 CA SER A 67 1.017 -1.818 -1.410 1.00 0.00 C ATOM 901 C SER A 67 2.339 -1.232 -1.026 1.00 0.00 C ATOM 902 O SER A 67 2.717 -0.126 -1.412 1.00 0.00 O ATOM 903 CB SER A 67 -0.066 -1.368 -0.450 1.00 0.00 C ATOM 904 OG SER A 67 -0.077 0.042 -0.361 1.00 0.00 O ATOM 0 H SER A 67 0.510 -3.830 -0.957 1.00 0.00 H new ATOM 0 HA SER A 67 0.671 -1.484 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.037 -1.727 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.107 -1.802 0.535 1.00 0.00 H new ATOM 0 HG SER A 67 -0.115 0.310 0.581 1.00 0.00 H new ATOM 910 N SER A 68 3.011 -2.034 -0.222 1.00 0.00 N ATOM 911 CA SER A 68 4.351 -1.820 0.174 1.00 0.00 C ATOM 912 C SER A 68 4.572 -0.796 1.243 1.00 0.00 C ATOM 913 O SER A 68 4.435 0.403 1.041 1.00 0.00 O ATOM 914 CB SER A 68 5.211 -1.518 -1.033 1.00 0.00 C ATOM 915 OG SER A 68 6.516 -1.137 -0.644 1.00 0.00 O ATOM 0 H SER A 68 2.604 -2.880 0.178 1.00 0.00 H new ATOM 0 HA SER A 68 4.648 -2.759 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.262 -2.396 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.755 -0.720 -1.618 1.00 0.00 H new ATOM 0 HG SER A 68 6.946 -1.880 -0.171 1.00 0.00 H new ATOM 921 N ALA A 69 4.930 -1.331 2.384 1.00 0.00 N ATOM 922 CA ALA A 69 5.297 -0.552 3.546 1.00 0.00 C ATOM 923 C ALA A 69 5.356 -1.450 4.764 1.00 0.00 C ATOM 924 O ALA A 69 4.852 -1.114 5.836 1.00 0.00 O ATOM 925 CB ALA A 69 4.352 0.612 3.776 1.00 0.00 C ATOM 0 H ALA A 69 4.976 -2.338 2.536 1.00 0.00 H new ATOM 0 HA ALA A 69 6.283 -0.123 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.667 1.168 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.368 1.271 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.340 0.235 3.927 1.00 0.00 H new ATOM 931 N THR A 70 5.985 -2.598 4.577 1.00 0.00 N ATOM 932 CA THR A 70 6.118 -3.579 5.636 1.00 0.00 C ATOM 933 C THR A 70 7.464 -3.445 6.330 1.00 0.00 C ATOM 934 O THR A 70 8.476 -3.971 5.870 1.00 0.00 O ATOM 935 CB THR A 70 5.942 -5.016 5.104 1.00 0.00 C ATOM 936 OG1 THR A 70 6.866 -5.900 5.748 1.00 0.00 O ATOM 937 CG2 THR A 70 6.137 -5.070 3.595 1.00 0.00 C ATOM 0 H THR A 70 6.414 -2.873 3.694 1.00 0.00 H new ATOM 0 HA THR A 70 5.325 -3.384 6.358 1.00 0.00 H new ATOM 0 HB THR A 70 4.925 -5.336 5.329 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.080 -6.644 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.007 -6.095 3.248 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.403 -4.427 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.141 -4.727 3.345 1.00 0.00 H new ATOM 945 N GLU A 71 7.456 -2.725 7.442 1.00 0.00 N ATOM 946 CA GLU A 71 8.656 -2.498 8.233 1.00 0.00 C ATOM 947 C GLU A 71 9.208 -3.815 8.771 1.00 0.00 C ATOM 948 O GLU A 71 10.259 -3.851 9.412 1.00 0.00 O ATOM 949 CB GLU A 71 8.324 -1.517 9.364 1.00 0.00 C ATOM 950 CG GLU A 71 9.415 -1.371 10.417 1.00 0.00 C ATOM 951 CD GLU A 71 9.051 -0.373 11.498 1.00 0.00 C ATOM 952 OE1 GLU A 71 8.418 -0.781 12.495 1.00 0.00 O ATOM 953 OE2 GLU A 71 9.401 0.817 11.350 1.00 0.00 O ATOM 0 H GLU A 71 6.619 -2.282 7.821 1.00 0.00 H new ATOM 0 HA GLU A 71 9.435 -2.063 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.122 -0.538 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.406 -1.844 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.607 -2.342 10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.341 -1.057 9.935 1.00 0.00 H new ATOM 960 N ALA A 72 8.505 -4.904 8.483 1.00 0.00 N ATOM 961 CA ALA A 72 8.925 -6.216 8.941 1.00 0.00 C ATOM 962 C ALA A 72 9.745 -6.959 7.883 1.00 0.00 C ATOM 963 O ALA A 72 10.670 -7.698 8.222 1.00 0.00 O ATOM 964 CB ALA A 72 7.718 -7.043 9.357 1.00 0.00 C ATOM 0 H ALA A 72 7.644 -4.901 7.936 1.00 0.00 H new ATOM 0 HA ALA A 72 9.571 -6.068 9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.049 -8.024 9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.191 -6.537 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.048 -7.162 8.506 1.00 0.00 H new ATOM 970 N CYS A 73 9.411 -6.767 6.606 1.00 0.00 N ATOM 971 CA CYS A 73 10.138 -7.437 5.527 1.00 0.00 C ATOM 972 C CYS A 73 10.933 -6.448 4.719 1.00 0.00 C ATOM 973 O CYS A 73 11.635 -6.828 3.784 1.00 0.00 O ATOM 974 CB CYS A 73 9.190 -8.127 4.548 1.00 0.00 C ATOM 975 SG CYS A 73 7.784 -8.986 5.313 1.00 0.00 S ATOM 0 H CYS A 73 8.651 -6.161 6.296 1.00 0.00 H new ATOM 0 HA CYS A 73 10.786 -8.167 6.012 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.805 -7.381 3.852 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.760 -8.847 3.961 1.00 0.00 H new ATOM 980 N LYS A 74 10.836 -5.183 5.073 1.00 0.00 N ATOM 981 CA LYS A 74 11.491 -4.172 4.287 1.00 0.00 C ATOM 982 C LYS A 74 13.000 -4.220 4.307 1.00 0.00 C ATOM 983 O LYS A 74 13.623 -5.254 4.062 1.00 0.00 O ATOM 984 CB LYS A 74 11.008 -2.767 4.617 1.00 0.00 C ATOM 985 CG LYS A 74 11.244 -1.809 3.456 1.00 0.00 C ATOM 986 CD LYS A 74 12.353 -0.800 3.735 1.00 0.00 C ATOM 987 CE LYS A 74 12.676 0.078 2.540 1.00 0.00 C ATOM 988 NZ LYS A 74 13.572 1.209 2.910 1.00 0.00 N ATOM 0 H LYS A 74 10.320 -4.840 5.883 1.00 0.00 H new ATOM 0 HA LYS A 74 11.194 -4.419 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.945 -2.794 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.527 -2.401 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.497 -2.382 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.319 -1.274 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.058 -0.168 4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.253 -1.334 4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.151 -0.523 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.751 0.470 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.661 1.860 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.171 1.718 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.511 0.840 3.162 1.00 0.00 H new ATOM 1002 N GLY A 75 13.568 -3.076 4.605 1.00 0.00 N ATOM 1003 CA GLY A 75 14.980 -2.907 4.530 1.00 0.00 C ATOM 1004 C GLY A 75 15.324 -2.924 3.064 1.00 0.00 C ATOM 1005 O GLY A 75 16.462 -3.186 2.676 1.00 0.00 O ATOM 0 H GLY A 75 13.057 -2.245 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.285 -1.968 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.497 -3.706 5.061 1.00 0.00 H new ATOM 1009 N CYS A 76 14.295 -2.625 2.238 1.00 0.00 N ATOM 1010 CA CYS A 76 14.442 -2.667 0.803 1.00 0.00 C ATOM 1011 C CYS A 76 13.338 -1.932 0.011 1.00 0.00 C ATOM 1012 O CYS A 76 13.613 -0.948 -0.670 1.00 0.00 O ATOM 1013 CB CYS A 76 14.404 -4.133 0.372 1.00 0.00 C ATOM 1014 SG CYS A 76 16.010 -4.990 0.361 1.00 0.00 S ATOM 0 H CYS A 76 13.365 -2.355 2.560 1.00 0.00 H new ATOM 0 HA CYS A 76 15.381 -2.160 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.729 -4.672 1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.976 -4.188 -0.629 1.00 0.00 H new ATOM 1019 N LEU A 77 12.086 -2.395 0.140 1.00 0.00 N ATOM 1020 CA LEU A 77 10.977 -1.909 -0.714 1.00 0.00 C ATOM 1021 C LEU A 77 9.981 -0.873 -0.147 1.00 0.00 C ATOM 1022 O LEU A 77 9.202 -0.342 -0.935 1.00 0.00 O ATOM 1023 CB LEU A 77 10.176 -3.138 -1.131 1.00 0.00 C ATOM 1024 CG LEU A 77 8.992 -2.893 -2.075 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.469 -2.309 -3.383 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.232 -4.179 -2.326 1.00 0.00 C ATOM 0 H LEU A 77 11.811 -3.102 0.822 1.00 0.00 H new ATOM 0 HA LEU A 77 11.478 -1.358 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.856 -3.842 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.800 -3.622 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 77 8.320 -2.180 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.615 -2.142 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.974 -1.361 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.163 -3.002 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.396 -3.983 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.898 -4.913 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.854 -4.568 -1.381 1.00 0.00 H new ATOM 1038 N TRP A 78 9.982 -0.565 1.152 1.00 0.00 N ATOM 1039 CA TRP A 78 8.983 0.387 1.715 1.00 0.00 C ATOM 1040 C TRP A 78 8.294 1.235 0.646 1.00 0.00 C ATOM 1041 O TRP A 78 8.980 2.034 -0.019 1.00 0.00 O ATOM 1042 CB TRP A 78 9.578 1.320 2.782 1.00 0.00 C ATOM 1043 CG TRP A 78 9.485 0.776 4.168 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.629 -0.180 4.618 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.294 1.144 5.279 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.879 -0.457 5.932 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.896 0.350 6.362 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.325 2.061 5.454 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.498 0.441 7.603 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.924 2.159 6.695 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.510 1.348 7.757 1.00 0.00 C ATOM 1052 OXT TRP A 78 7.063 1.099 0.493 1.00 0.00 O ATOM 0 H TRP A 78 10.641 -0.943 1.832 1.00 0.00 H new ATOM 0 HA TRP A 78 8.238 -0.255 2.185 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.625 1.510 2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 78 9.063 2.280 2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.862 -0.652 4.022 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.389 -1.150 6.498 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.651 2.685 4.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.180 -0.184 8.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.722 2.871 6.847 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.998 1.440 8.716 1.00 0.00 H new ATOM 1109 N SER B 4 6.778 10.251 1.486 1.00 0.00 N ATOM 1110 CA SER B 4 7.454 9.001 1.818 1.00 0.00 C ATOM 1111 C SER B 4 6.513 7.824 1.648 1.00 0.00 C ATOM 1112 O SER B 4 5.369 8.004 1.257 1.00 0.00 O ATOM 1113 CB SER B 4 7.956 9.038 3.256 1.00 0.00 C ATOM 1114 OG SER B 4 8.766 10.178 3.489 1.00 0.00 O ATOM 0 HA SER B 4 8.300 8.884 1.140 1.00 0.00 H new ATOM 0 HB2 SER B 4 7.107 9.046 3.940 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.527 8.134 3.468 1.00 0.00 H new ATOM 0 HG SER B 4 8.398 10.945 3.003 1.00 0.00 H new ATOM 1120 N VAL B 5 6.998 6.619 1.930 1.00 0.00 N ATOM 1121 CA VAL B 5 6.163 5.430 1.817 1.00 0.00 C ATOM 1122 C VAL B 5 5.249 5.297 3.039 1.00 0.00 C ATOM 1123 O VAL B 5 4.033 5.181 2.902 1.00 0.00 O ATOM 1124 CB VAL B 5 6.996 4.135 1.626 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.468 4.454 1.396 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.808 3.172 2.798 1.00 0.00 C ATOM 0 H VAL B 5 7.955 6.441 2.235 1.00 0.00 H new ATOM 0 HA VAL B 5 5.553 5.556 0.923 1.00 0.00 H new ATOM 0 HB VAL B 5 6.625 3.634 0.732 1.00 0.00 H new ATOM 0 HG11 VAL B 5 9.025 3.526 1.266 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.572 5.068 0.502 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.862 4.996 2.256 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.405 2.276 2.632 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.128 3.655 3.721 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.756 2.897 2.878 1.00 0.00 H new ATOM 1136 N GLY B 6 5.843 5.312 4.235 1.00 0.00 N ATOM 1137 CA GLY B 6 5.056 5.191 5.449 1.00 0.00 C ATOM 1138 C GLY B 6 4.140 6.383 5.630 1.00 0.00 C ATOM 1139 O GLY B 6 2.961 6.233 5.963 1.00 0.00 O ATOM 0 H GLY B 6 6.848 5.405 4.381 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.464 4.277 5.412 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.720 5.106 6.309 1.00 0.00 H new ATOM 1143 N ASP B 7 4.684 7.574 5.398 1.00 0.00 N ATOM 1144 CA ASP B 7 3.904 8.797 5.505 1.00 0.00 C ATOM 1145 C ASP B 7 2.812 8.787 4.454 1.00 0.00 C ATOM 1146 O ASP B 7 1.713 9.296 4.675 1.00 0.00 O ATOM 1147 CB ASP B 7 4.795 10.025 5.317 1.00 0.00 C ATOM 1148 CG ASP B 7 5.787 10.201 6.450 1.00 0.00 C ATOM 1149 OD1 ASP B 7 6.871 9.582 6.392 1.00 0.00 O ATOM 1150 OD2 ASP B 7 5.481 10.959 7.395 1.00 0.00 O ATOM 0 H ASP B 7 5.659 7.715 5.136 1.00 0.00 H new ATOM 0 HA ASP B 7 3.459 8.846 6.499 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.336 9.937 4.375 1.00 0.00 H new ATOM 0 HB3 ASP B 7 4.170 10.915 5.243 1.00 0.00 H new ATOM 1155 N ALA B 8 3.132 8.206 3.301 1.00 0.00 N ATOM 1156 CA ALA B 8 2.179 8.104 2.216 1.00 0.00 C ATOM 1157 C ALA B 8 0.910 7.460 2.710 1.00 0.00 C ATOM 1158 O ALA B 8 -0.181 7.956 2.461 1.00 0.00 O ATOM 1159 CB ALA B 8 2.730 7.278 1.075 1.00 0.00 C ATOM 0 H ALA B 8 4.046 7.800 3.100 1.00 0.00 H new ATOM 0 HA ALA B 8 1.978 9.113 1.855 1.00 0.00 H new ATOM 0 HB1 ALA B 8 1.990 7.221 0.277 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.639 7.744 0.695 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.959 6.273 1.430 1.00 0.00 H new ATOM 1165 N PHE B 9 1.068 6.343 3.414 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.062 5.620 3.940 1.00 0.00 C ATOM 1167 C PHE B 9 -0.953 6.528 4.779 1.00 0.00 C ATOM 1168 O PHE B 9 -2.126 6.648 4.494 1.00 0.00 O ATOM 1169 CB PHE B 9 0.395 4.386 4.703 1.00 0.00 C ATOM 1170 CG PHE B 9 0.573 3.227 3.783 1.00 0.00 C ATOM 1171 CD1 PHE B 9 -0.474 2.360 3.511 1.00 0.00 C ATOM 1172 CD2 PHE B 9 1.788 3.021 3.162 1.00 0.00 C ATOM 1173 CE1 PHE B 9 -0.300 1.312 2.634 1.00 0.00 C ATOM 1174 CE2 PHE B 9 1.964 1.974 2.290 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.922 1.120 2.023 1.00 0.00 C ATOM 0 H PHE B 9 1.974 5.926 3.628 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.670 5.272 3.105 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.334 4.597 5.214 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.337 4.137 5.471 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.431 2.507 3.989 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.611 3.691 3.364 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -1.120 0.641 2.425 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.922 1.822 1.814 1.00 0.00 H new ATOM 0 HZ PHE B 9 1.059 0.299 1.335 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.391 7.250 5.742 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.213 8.124 6.589 1.00 0.00 C ATOM 1187 C ASP B 10 -2.212 8.895 5.724 1.00 0.00 C ATOM 1188 O ASP B 10 -3.428 8.869 5.958 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.328 9.099 7.367 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.134 10.071 8.205 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.488 11.151 7.685 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -1.412 9.754 9.381 1.00 0.00 O ATOM 0 H ASP B 10 0.606 7.253 5.957 1.00 0.00 H new ATOM 0 HA ASP B 10 -1.760 7.508 7.303 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.345 8.537 8.015 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.295 9.657 6.668 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.677 9.542 4.702 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.478 10.307 3.748 1.00 0.00 C ATOM 1199 C LYS B 11 -3.412 9.362 2.998 1.00 0.00 C ATOM 1200 O LYS B 11 -4.612 9.596 2.871 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.543 11.005 2.763 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.082 12.318 2.220 1.00 0.00 C ATOM 1203 CD LYS B 11 -3.309 12.096 1.356 1.00 0.00 C ATOM 1204 CE LYS B 11 -3.895 13.411 0.869 1.00 0.00 C ATOM 1205 NZ LYS B 11 -4.340 14.273 1.999 1.00 0.00 N ATOM 0 H LYS B 11 -0.676 9.555 4.506 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.074 11.053 4.274 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.589 11.192 3.255 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.345 10.333 1.928 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.333 12.981 3.048 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.309 12.817 1.636 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.044 11.476 0.500 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -4.062 11.550 1.925 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -3.150 13.944 0.278 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -4.740 13.210 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -4.954 15.030 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -4.868 13.699 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -3.509 14.693 2.463 1.00 0.00 H new ATOM 1219 N TYR B 12 -2.807 8.298 2.506 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.474 7.233 1.775 1.00 0.00 C ATOM 1221 C TYR B 12 -4.751 6.800 2.473 1.00 0.00 C ATOM 1222 O TYR B 12 -5.849 6.976 1.962 1.00 0.00 O ATOM 1223 CB TYR B 12 -2.524 6.040 1.779 1.00 0.00 C ATOM 1224 CG TYR B 12 -2.244 5.369 0.465 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -1.803 6.091 -0.636 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -2.365 3.988 0.348 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -1.504 5.458 -1.825 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -2.056 3.355 -0.834 1.00 0.00 C ATOM 1229 CZ TYR B 12 -1.630 4.089 -1.914 1.00 0.00 C ATOM 1230 OH TYR B 12 -1.338 3.445 -3.089 1.00 0.00 O ATOM 0 H TYR B 12 -1.804 8.144 2.607 1.00 0.00 H new ATOM 0 HA TYR B 12 -3.724 7.581 0.773 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -1.573 6.370 2.197 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.929 5.291 2.459 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -1.693 7.163 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -2.705 3.407 1.193 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -1.174 6.031 -2.679 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -2.148 2.282 -0.913 1.00 0.00 H new ATOM 0 HH TYR B 12 -2.139 3.414 -3.653 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.561 6.282 3.681 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.628 5.741 4.505 1.00 0.00 C ATOM 1242 C ASN B 13 -6.866 6.607 4.513 1.00 0.00 C ATOM 1243 O ASN B 13 -7.938 6.169 4.103 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.146 5.583 5.941 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.656 5.305 6.073 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.063 4.637 5.084 1.00 0.00 O flip ATOM 1247 ND2 ASN B 13 -3.037 5.687 7.066 1.00 0.00 N flip ATOM 0 H ASN B 13 -3.642 6.227 4.121 1.00 0.00 H new ATOM 0 HA ASN B 13 -5.893 4.778 4.069 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.385 6.491 6.494 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.699 4.769 6.410 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -3.522 6.196 7.805 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -2.039 5.495 7.150 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.723 7.829 4.992 1.00 0.00 N ATOM 1255 CA GLU B 14 -7.858 8.734 5.055 1.00 0.00 C ATOM 1256 C GLU B 14 -8.556 8.785 3.694 1.00 0.00 C ATOM 1257 O GLU B 14 -9.785 8.752 3.594 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.382 10.128 5.486 1.00 0.00 C ATOM 1259 CG GLU B 14 -6.856 10.982 4.346 1.00 0.00 C ATOM 1260 CD GLU B 14 -7.886 11.967 3.828 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -8.718 11.571 2.986 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -7.858 13.137 4.265 1.00 0.00 O ATOM 0 H GLU B 14 -5.845 8.215 5.339 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.576 8.374 5.792 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.209 10.651 5.966 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.598 10.017 6.235 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -5.975 11.528 4.683 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.536 10.334 3.530 1.00 0.00 H new ATOM 1269 N ALA B 15 -7.737 8.776 2.653 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.197 8.864 1.279 1.00 0.00 C ATOM 1271 C ALA B 15 -8.863 7.595 0.781 1.00 0.00 C ATOM 1272 O ALA B 15 -9.856 7.656 0.054 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.007 9.183 0.388 1.00 0.00 C ATOM 0 H ALA B 15 -6.723 8.707 2.742 1.00 0.00 H new ATOM 0 HA ALA B 15 -8.952 9.649 1.242 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.337 9.252 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -6.568 10.133 0.693 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.262 8.393 0.479 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.338 6.447 1.169 1.00 0.00 N ATOM 1280 CA VAL B 16 -8.871 5.204 0.674 1.00 0.00 C ATOM 1281 C VAL B 16 -10.005 4.697 1.502 1.00 0.00 C ATOM 1282 O VAL B 16 -11.059 4.340 0.979 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.792 4.127 0.537 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.804 4.207 1.689 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.430 2.746 0.441 1.00 0.00 C ATOM 0 H VAL B 16 -7.555 6.355 1.816 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.259 5.425 -0.320 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.236 4.303 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.046 3.433 1.572 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.326 5.186 1.691 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.331 4.059 2.631 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.650 1.991 0.344 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.014 2.551 1.341 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.083 2.707 -0.431 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.782 4.648 2.786 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.785 4.164 3.678 1.00 0.00 C ATOM 1297 C ARG B 17 -12.106 4.818 3.409 1.00 0.00 C ATOM 1298 O ARG B 17 -13.160 4.174 3.459 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.314 4.301 5.118 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.067 3.481 5.410 1.00 0.00 C ATOM 1301 CD ARG B 17 -8.923 2.289 4.475 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.617 2.202 3.905 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.339 1.394 2.925 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.156 0.407 2.613 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.226 1.541 2.280 1.00 0.00 N ATOM 0 H ARG B 17 -8.913 4.939 3.233 1.00 0.00 H new ATOM 0 HA ARG B 17 -10.946 3.100 3.504 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.111 5.351 5.331 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.114 3.988 5.789 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.187 4.118 5.320 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.101 3.128 6.441 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.140 1.372 5.023 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.661 2.365 3.677 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.876 2.794 4.280 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.017 0.271 3.143 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.927 -0.220 1.842 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.579 2.284 2.543 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -5.996 0.913 1.509 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.066 6.069 3.058 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.287 6.738 2.756 1.00 0.00 C ATOM 1321 C VAL B 18 -13.775 6.337 1.371 1.00 0.00 C ATOM 1322 O VAL B 18 -14.943 6.052 1.195 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.123 8.262 2.838 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.589 8.645 4.209 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.202 8.763 1.731 1.00 0.00 C ATOM 0 H VAL B 18 -11.220 6.633 2.976 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.028 6.439 3.498 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.095 8.734 2.698 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.473 9.727 4.265 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.288 8.315 4.977 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.622 8.168 4.369 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.098 9.845 1.806 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.222 8.297 1.834 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.626 8.506 0.760 1.00 0.00 H new ATOM 1335 N PHE B 19 -12.859 6.204 0.414 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.248 5.910 -0.958 1.00 0.00 C ATOM 1337 C PHE B 19 -13.900 4.527 -1.138 1.00 0.00 C ATOM 1338 O PHE B 19 -14.967 4.408 -1.771 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.040 6.178 -1.912 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.131 5.024 -2.313 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.620 3.795 -2.690 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -9.759 5.211 -2.343 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.773 2.771 -3.073 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -8.903 4.194 -2.718 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.412 2.969 -3.081 1.00 0.00 C ATOM 0 H PHE B 19 -11.854 6.294 0.563 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.050 6.593 -1.237 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.438 6.614 -2.828 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.415 6.938 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.687 3.626 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.350 6.172 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.181 1.815 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -7.836 4.360 -2.726 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.748 2.168 -3.370 1.00 0.00 H new ATOM 1355 N THR B 20 -13.338 3.482 -0.539 1.00 0.00 N ATOM 1356 CA THR B 20 -13.896 2.161 -0.767 1.00 0.00 C ATOM 1357 C THR B 20 -15.167 1.921 0.021 1.00 0.00 C ATOM 1358 O THR B 20 -16.176 1.519 -0.560 1.00 0.00 O ATOM 1359 CB THR B 20 -12.899 1.035 -0.493 1.00 0.00 C ATOM 1360 OG1 THR B 20 -11.916 0.995 -1.513 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.613 -0.296 -0.405 1.00 0.00 C ATOM 0 H THR B 20 -12.530 3.521 0.082 1.00 0.00 H new ATOM 0 HA THR B 20 -14.141 2.143 -1.829 1.00 0.00 H new ATOM 0 HB THR B 20 -12.410 1.230 0.462 1.00 0.00 H new ATOM 0 HG1 THR B 20 -11.615 1.906 -1.713 1.00 0.00 H new ATOM 0 HG21 THR B 20 -12.888 -1.086 -0.210 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.342 -0.265 0.404 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.124 -0.498 -1.346 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.151 2.152 1.331 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.363 1.922 2.087 1.00 0.00 C ATOM 1371 C GLN B 21 -17.430 2.894 1.635 1.00 0.00 C ATOM 1372 O GLN B 21 -18.598 2.737 1.966 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.133 1.984 3.592 1.00 0.00 C ATOM 1374 CG GLN B 21 -15.749 0.630 4.198 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.492 -0.534 3.584 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -15.908 -1.105 2.533 1.00 0.00 O flip ATOM 1377 NE2 GLN B 21 -17.568 -0.917 4.043 1.00 0.00 N flip ATOM 0 H GLN B 21 -14.348 2.483 1.866 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.704 0.906 1.886 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.345 2.707 3.804 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -17.038 2.349 4.077 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -14.677 0.475 4.072 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -15.944 0.651 5.270 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -17.975 -0.445 4.851 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -18.053 -1.706 3.615 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.032 3.911 0.875 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.009 4.832 0.338 1.00 0.00 C ATOM 1388 C LEU B 22 -18.951 4.024 -0.519 1.00 0.00 C ATOM 1389 O LEU B 22 -20.167 4.186 -0.450 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.366 5.944 -0.503 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.060 7.270 0.221 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.814 8.411 -0.436 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.384 7.210 1.716 1.00 0.00 C ATOM 0 H LEU B 22 -16.063 4.109 0.626 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.527 5.327 1.159 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.434 5.561 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.026 6.160 -1.344 1.00 0.00 H new ATOM 0 HG LEU B 22 -15.988 7.444 0.134 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.590 9.342 0.084 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.509 8.495 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -18.885 8.216 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.150 8.169 2.178 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.443 6.991 1.850 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -16.790 6.427 2.186 1.00 0.00 H new ATOM 1405 N SER B 23 -18.375 3.129 -1.324 1.00 0.00 N ATOM 1406 CA SER B 23 -19.193 2.267 -2.172 1.00 0.00 C ATOM 1407 C SER B 23 -19.922 1.192 -1.349 1.00 0.00 C ATOM 1408 O SER B 23 -21.123 0.982 -1.526 1.00 0.00 O ATOM 1409 CB SER B 23 -18.352 1.623 -3.282 1.00 0.00 C ATOM 1410 OG SER B 23 -18.107 2.547 -4.329 1.00 0.00 O ATOM 0 H SER B 23 -17.368 2.985 -1.405 1.00 0.00 H new ATOM 0 HA SER B 23 -19.949 2.897 -2.640 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.405 1.273 -2.871 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.870 0.749 -3.676 1.00 0.00 H new ATOM 0 HG SER B 23 -17.144 2.718 -4.395 1.00 0.00 H new ATOM 1416 N SER B 24 -19.207 0.514 -0.447 1.00 0.00 N ATOM 1417 CA SER B 24 -19.819 -0.535 0.377 1.00 0.00 C ATOM 1418 C SER B 24 -20.837 0.022 1.352 1.00 0.00 C ATOM 1419 O SER B 24 -22.009 -0.353 1.313 1.00 0.00 O ATOM 1420 CB SER B 24 -18.765 -1.306 1.154 1.00 0.00 C ATOM 1421 OG SER B 24 -19.357 -2.102 2.166 1.00 0.00 O ATOM 0 H SER B 24 -18.215 0.669 -0.269 1.00 0.00 H new ATOM 0 HA SER B 24 -20.330 -1.205 -0.314 1.00 0.00 H new ATOM 0 HB2 SER B 24 -18.199 -1.941 0.473 1.00 0.00 H new ATOM 0 HB3 SER B 24 -18.057 -0.609 1.603 1.00 0.00 H new ATOM 0 HG SER B 24 -19.402 -3.034 1.865 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.381 0.896 2.241 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.260 1.501 3.226 1.00 0.00 C ATOM 1429 C ALA B 25 -22.505 2.012 2.527 1.00 0.00 C ATOM 1430 O ALA B 25 -23.603 1.983 3.079 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.546 2.630 3.966 1.00 0.00 C ATOM 0 H ALA B 25 -19.409 1.199 2.298 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.545 0.754 3.967 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.222 3.069 4.699 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.668 2.233 4.475 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.238 3.395 3.253 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.317 2.442 1.284 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.412 2.955 0.475 1.00 0.00 C ATOM 1439 C ALA B 26 -24.499 1.905 0.273 1.00 0.00 C ATOM 1440 O ALA B 26 -25.686 2.220 0.361 1.00 0.00 O ATOM 1441 CB ALA B 26 -22.902 3.450 -0.871 1.00 0.00 C ATOM 0 H ALA B 26 -21.411 2.444 0.815 1.00 0.00 H new ATOM 0 HA ALA B 26 -23.851 3.794 1.015 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.737 3.829 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.177 4.248 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.426 2.627 -1.405 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.108 0.657 0.004 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.108 -0.388 -0.212 1.00 0.00 C ATOM 1449 C ASN B 27 -24.583 -1.821 -0.046 1.00 0.00 C ATOM 1450 O ASN B 27 -25.299 -2.671 0.484 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.730 -0.234 -1.603 1.00 0.00 C ATOM 1452 CG ASN B 27 -24.735 0.217 -2.661 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -23.449 -0.030 -2.427 1.00 0.00 O flip ATOM 1454 ND2 ASN B 27 -25.119 0.794 -3.678 1.00 0.00 N flip ATOM 0 H ASN B 27 -23.137 0.352 -0.068 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.852 -0.246 0.572 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.165 -1.186 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.546 0.487 -1.551 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -26.114 0.965 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -24.442 1.101 -4.377 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.353 -2.104 -0.479 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.832 -3.470 -0.394 1.00 0.00 C ATOM 1463 C CYS B 28 -21.372 -3.563 -0.821 1.00 0.00 C ATOM 1464 O CYS B 28 -20.845 -2.659 -1.439 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.682 -4.370 -1.298 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.776 -5.698 -2.146 1.00 0.00 S ATOM 0 H CYS B 28 -22.711 -1.423 -0.884 1.00 0.00 H new ATOM 0 HA CYS B 28 -22.886 -3.789 0.647 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.472 -4.819 -0.696 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.168 -3.747 -2.049 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.729 -4.670 -0.467 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.336 -4.921 -0.844 1.00 0.00 C ATOM 1473 C ASP B 29 -19.251 -6.129 -1.777 1.00 0.00 C ATOM 1474 O ASP B 29 -20.071 -7.042 -1.676 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.486 -5.179 0.402 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.295 -5.772 1.539 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.439 -7.012 1.582 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.786 -4.995 2.385 1.00 0.00 O ATOM 0 H ASP B 29 -21.152 -5.416 0.085 1.00 0.00 H new ATOM 0 HA ASP B 29 -18.956 -4.040 -1.360 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.670 -5.856 0.148 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -18.034 -4.243 0.731 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.266 -6.153 -2.686 1.00 0.00 N ATOM 1484 CA TRP B 30 -18.138 -7.293 -3.588 1.00 0.00 C ATOM 1485 C TRP B 30 -17.731 -8.512 -2.767 1.00 0.00 C ATOM 1486 O TRP B 30 -18.312 -9.589 -2.904 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.153 -7.025 -4.757 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.821 -6.505 -4.365 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.845 -7.109 -3.631 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.316 -5.244 -4.750 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.780 -6.256 -3.493 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -14.056 -5.102 -4.179 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.835 -4.208 -5.515 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.307 -3.955 -4.348 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.093 -3.073 -5.690 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.842 -2.949 -5.108 1.00 0.00 C ATOM 0 H TRP B 30 -17.569 -5.419 -2.811 1.00 0.00 H new ATOM 0 HA TRP B 30 -19.101 -7.476 -4.065 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -17.012 -7.954 -5.310 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.614 -6.313 -5.441 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.901 -8.106 -3.221 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.927 -6.448 -2.968 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.812 -4.298 -5.966 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.331 -3.854 -3.896 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.486 -2.265 -6.288 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.277 -2.041 -5.257 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.750 -8.298 -1.883 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.243 -9.323 -0.972 1.00 0.00 C ATOM 1509 C ALA B 31 -15.463 -10.413 -1.704 1.00 0.00 C ATOM 1510 O ALA B 31 -14.407 -10.857 -1.253 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.393 -9.924 -0.188 1.00 0.00 C ATOM 0 H ALA B 31 -16.282 -7.397 -1.781 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.546 -8.843 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -17.011 -10.688 0.490 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.889 -9.142 0.388 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -18.107 -10.375 -0.877 1.00 0.00 H new ATOM 1517 N ALA B 32 -15.992 -10.840 -2.830 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.357 -11.880 -3.625 1.00 0.00 C ATOM 1519 C ALA B 32 -14.075 -11.371 -4.272 1.00 0.00 C ATOM 1520 O ALA B 32 -13.047 -12.053 -4.269 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.318 -12.394 -4.686 1.00 0.00 C ATOM 0 H ALA B 32 -16.864 -10.484 -3.221 1.00 0.00 H new ATOM 0 HA ALA B 32 -15.095 -12.702 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.830 -13.172 -5.273 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -17.205 -12.806 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.609 -11.573 -5.342 1.00 0.00 H new ATOM 1527 N CYS B 33 -14.136 -10.161 -4.812 1.00 0.00 N ATOM 1528 CA CYS B 33 -12.985 -9.574 -5.477 1.00 0.00 C ATOM 1529 C CYS B 33 -11.853 -9.281 -4.511 1.00 0.00 C ATOM 1530 O CYS B 33 -10.707 -9.587 -4.793 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.367 -8.301 -6.211 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.819 -8.279 -7.953 1.00 0.00 S ATOM 0 H CYS B 33 -14.968 -9.570 -4.802 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.635 -10.314 -6.197 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.450 -8.181 -6.177 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.935 -7.446 -5.691 1.00 0.00 H new ATOM 1537 N LEU B 34 -12.151 -8.681 -3.378 1.00 0.00 N ATOM 1538 CA LEU B 34 -11.094 -8.377 -2.434 1.00 0.00 C ATOM 1539 C LEU B 34 -10.291 -9.629 -2.126 1.00 0.00 C ATOM 1540 O LEU B 34 -9.066 -9.581 -2.036 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.643 -7.719 -1.179 1.00 0.00 C ATOM 1542 CG LEU B 34 -13.015 -8.213 -0.753 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.884 -9.222 0.372 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.887 -7.044 -0.340 1.00 0.00 C ATOM 0 H LEU B 34 -13.089 -8.400 -3.092 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.417 -7.653 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.942 -7.885 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.694 -6.642 -1.342 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.492 -8.710 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.874 -9.568 0.668 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.290 -10.070 0.032 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.393 -8.754 1.225 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.868 -7.411 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.422 -6.520 0.495 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -14.000 -6.359 -1.181 1.00 0.00 H new ATOM 1556 N SER B 35 -10.973 -10.757 -1.986 1.00 0.00 N ATOM 1557 CA SER B 35 -10.279 -12.014 -1.753 1.00 0.00 C ATOM 1558 C SER B 35 -9.256 -12.215 -2.867 1.00 0.00 C ATOM 1559 O SER B 35 -8.167 -12.746 -2.654 1.00 0.00 O ATOM 1560 CB SER B 35 -11.271 -13.173 -1.752 1.00 0.00 C ATOM 1561 OG SER B 35 -10.633 -14.394 -1.419 1.00 0.00 O ATOM 0 H SER B 35 -11.990 -10.828 -2.029 1.00 0.00 H new ATOM 0 HA SER B 35 -9.781 -11.984 -0.784 1.00 0.00 H new ATOM 0 HB2 SER B 35 -12.070 -12.971 -1.038 1.00 0.00 H new ATOM 0 HB3 SER B 35 -11.735 -13.258 -2.734 1.00 0.00 H new ATOM 0 HG SER B 35 -11.292 -15.119 -1.424 1.00 0.00 H new ATOM 1567 N SER B 36 -9.645 -11.770 -4.060 1.00 0.00 N ATOM 1568 CA SER B 36 -8.808 -11.860 -5.264 1.00 0.00 C ATOM 1569 C SER B 36 -7.410 -11.251 -5.058 1.00 0.00 C ATOM 1570 O SER B 36 -6.417 -11.829 -5.496 1.00 0.00 O ATOM 1571 CB SER B 36 -9.511 -11.176 -6.443 1.00 0.00 C ATOM 1572 OG SER B 36 -9.149 -11.774 -7.676 1.00 0.00 O ATOM 0 H SER B 36 -10.553 -11.334 -4.224 1.00 0.00 H new ATOM 0 HA SER B 36 -8.668 -12.919 -5.481 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.591 -11.237 -6.310 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.251 -10.118 -6.460 1.00 0.00 H new ATOM 0 HG SER B 36 -9.613 -11.319 -8.409 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.321 -10.080 -4.418 1.00 0.00 N ATOM 1579 CA LEU B 37 -6.005 -9.464 -4.172 1.00 0.00 C ATOM 1580 C LEU B 37 -5.261 -10.339 -3.198 1.00 0.00 C ATOM 1581 O LEU B 37 -4.131 -10.751 -3.444 1.00 0.00 O ATOM 1582 CB LEU B 37 -6.098 -8.039 -3.605 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.833 -7.541 -2.906 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.698 -7.376 -3.896 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.086 -6.247 -2.173 1.00 0.00 C ATOM 0 H LEU B 37 -8.118 -9.549 -4.068 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.488 -9.383 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.339 -7.355 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.926 -7.998 -2.898 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.544 -8.294 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.809 -7.021 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.483 -8.335 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.984 -6.653 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.167 -5.919 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.413 -5.486 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.860 -6.400 -1.421 1.00 0.00 H new ATOM 1597 N SER B 38 -5.925 -10.624 -2.087 1.00 0.00 N ATOM 1598 CA SER B 38 -5.367 -11.485 -1.065 1.00 0.00 C ATOM 1599 C SER B 38 -5.205 -12.902 -1.614 1.00 0.00 C ATOM 1600 O SER B 38 -4.799 -13.817 -0.904 1.00 0.00 O ATOM 1601 CB SER B 38 -6.265 -11.478 0.177 1.00 0.00 C ATOM 1602 OG SER B 38 -6.464 -12.787 0.681 1.00 0.00 O ATOM 0 H SER B 38 -6.856 -10.267 -1.874 1.00 0.00 H new ATOM 0 HA SER B 38 -4.384 -11.112 -0.776 1.00 0.00 H new ATOM 0 HB2 SER B 38 -5.815 -10.854 0.949 1.00 0.00 H new ATOM 0 HB3 SER B 38 -7.228 -11.032 -0.072 1.00 0.00 H new ATOM 0 HG SER B 38 -7.039 -12.748 1.473 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.534 -13.065 -2.893 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.418 -14.351 -3.567 1.00 0.00 C ATOM 1610 C ALA B 39 -4.090 -14.436 -4.309 1.00 0.00 C ATOM 1611 O ALA B 39 -3.301 -15.344 -4.050 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.582 -14.565 -4.522 1.00 0.00 C ATOM 0 H ALA B 39 -5.886 -12.314 -3.486 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.449 -15.141 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.475 -15.531 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.519 -14.543 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.587 -13.774 -5.272 1.00 0.00 H new ATOM 1618 N SER B 40 -3.872 -13.475 -5.232 1.00 0.00 N ATOM 1619 CA SER B 40 -2.633 -13.368 -6.031 1.00 0.00 C ATOM 1620 C SER B 40 -2.916 -12.926 -7.462 1.00 0.00 C ATOM 1621 O SER B 40 -3.664 -13.578 -8.189 1.00 0.00 O ATOM 1622 CB SER B 40 -1.852 -14.686 -6.082 1.00 0.00 C ATOM 1623 OG SER B 40 -2.655 -15.737 -6.591 1.00 0.00 O ATOM 0 H SER B 40 -4.555 -12.748 -5.445 1.00 0.00 H new ATOM 0 HA SER B 40 -2.030 -12.615 -5.525 1.00 0.00 H new ATOM 0 HB2 SER B 40 -0.968 -14.564 -6.708 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.502 -14.943 -5.082 1.00 0.00 H new ATOM 0 HG SER B 40 -3.046 -16.240 -5.846 1.00 0.00 H new ATOM 1629 N SER B 41 -2.309 -11.808 -7.857 1.00 0.00 N ATOM 1630 CA SER B 41 -2.448 -11.301 -9.213 1.00 0.00 C ATOM 1631 C SER B 41 -1.066 -11.159 -9.821 1.00 0.00 C ATOM 1632 O SER B 41 -0.157 -10.626 -9.189 1.00 0.00 O ATOM 1633 CB SER B 41 -3.163 -9.948 -9.240 1.00 0.00 C ATOM 1634 OG SER B 41 -4.232 -9.919 -8.311 1.00 0.00 O ATOM 0 H SER B 41 -1.716 -11.238 -7.253 1.00 0.00 H new ATOM 0 HA SER B 41 -3.051 -12.004 -9.787 1.00 0.00 H new ATOM 0 HB2 SER B 41 -2.454 -9.153 -9.008 1.00 0.00 H new ATOM 0 HB3 SER B 41 -3.543 -9.754 -10.243 1.00 0.00 H new ATOM 0 HG SER B 41 -3.942 -9.466 -7.492 1.00 0.00 H new ATOM 1640 N ALA B 42 -0.916 -11.629 -11.047 1.00 0.00 N ATOM 1641 CA ALA B 42 0.366 -11.563 -11.742 1.00 0.00 C ATOM 1642 C ALA B 42 0.847 -10.124 -11.839 1.00 0.00 C ATOM 1643 O ALA B 42 1.979 -9.852 -12.241 1.00 0.00 O ATOM 1644 CB ALA B 42 0.244 -12.171 -13.129 1.00 0.00 C ATOM 0 H ALA B 42 -1.666 -12.062 -11.586 1.00 0.00 H new ATOM 0 HA ALA B 42 1.098 -12.134 -11.171 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.207 -12.115 -13.637 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.062 -13.214 -13.044 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.501 -11.621 -13.703 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.032 -9.213 -11.457 1.00 0.00 N ATOM 1651 CA ALA B 43 0.247 -7.795 -11.518 1.00 0.00 C ATOM 1652 C ALA B 43 0.960 -7.265 -10.284 1.00 0.00 C ATOM 1653 O ALA B 43 2.070 -6.763 -10.394 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.055 -7.042 -11.746 1.00 0.00 C ATOM 0 H ALA B 43 -0.959 -9.440 -11.096 1.00 0.00 H new ATOM 0 HA ALA B 43 0.932 -7.633 -12.350 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.853 -5.972 -11.793 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.504 -7.368 -12.684 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.742 -7.246 -10.924 1.00 0.00 H new ATOM 1660 N CYS B 44 0.336 -7.384 -9.118 1.00 0.00 N ATOM 1661 CA CYS B 44 0.927 -6.863 -7.887 1.00 0.00 C ATOM 1662 C CYS B 44 2.422 -7.152 -7.792 1.00 0.00 C ATOM 1663 O CYS B 44 3.186 -6.362 -7.233 1.00 0.00 O ATOM 1664 CB CYS B 44 0.186 -7.390 -6.664 1.00 0.00 C ATOM 1665 SG CYS B 44 -0.930 -8.791 -6.997 1.00 0.00 S ATOM 0 H CYS B 44 -0.572 -7.833 -8.997 1.00 0.00 H new ATOM 0 HA CYS B 44 0.818 -5.779 -7.914 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.918 -7.696 -5.916 1.00 0.00 H new ATOM 0 HB3 CYS B 44 -0.394 -6.576 -6.229 1.00 0.00 H new ATOM 1670 N ILE B 45 2.835 -8.277 -8.339 1.00 0.00 N ATOM 1671 CA ILE B 45 4.238 -8.653 -8.323 1.00 0.00 C ATOM 1672 C ILE B 45 4.988 -7.991 -9.477 1.00 0.00 C ATOM 1673 O ILE B 45 6.059 -7.362 -9.298 1.00 0.00 O ATOM 1674 CB ILE B 45 4.415 -10.180 -8.377 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.135 -10.882 -7.919 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.588 -10.605 -7.505 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.476 -11.705 -9.004 1.00 0.00 C ATOM 0 H ILE B 45 2.221 -8.948 -8.801 1.00 0.00 H new ATOM 0 HA ILE B 45 4.660 -8.300 -7.382 1.00 0.00 H new ATOM 0 HB ILE B 45 4.621 -10.469 -9.408 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.368 -11.530 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.428 -10.134 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.703 -11.688 -7.552 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.500 -10.128 -7.864 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.403 -10.304 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.575 -12.174 -8.609 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.211 -11.059 -9.841 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.166 -12.476 -9.345 1.00 0.00 H new ATOM 1689 N ALA B 46 4.399 -8.081 -10.666 1.00 0.00 N ATOM 1690 CA ALA B 46 5.021 -7.467 -11.835 1.00 0.00 C ATOM 1691 C ALA B 46 5.158 -5.992 -11.524 1.00 0.00 C ATOM 1692 O ALA B 46 5.968 -5.245 -12.089 1.00 0.00 O ATOM 1693 CB ALA B 46 4.185 -7.696 -13.084 1.00 0.00 C ATOM 0 H ALA B 46 3.516 -8.559 -10.844 1.00 0.00 H new ATOM 0 HA ALA B 46 5.996 -7.911 -12.038 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.673 -7.228 -13.939 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.086 -8.766 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.196 -7.258 -12.945 1.00 0.00 H new ATOM 1699 N ALA B 47 4.347 -5.618 -10.559 1.00 0.00 N ATOM 1700 CA ALA B 47 4.281 -4.281 -10.055 1.00 0.00 C ATOM 1701 C ALA B 47 5.541 -3.948 -9.291 1.00 0.00 C ATOM 1702 O ALA B 47 6.140 -2.895 -9.503 1.00 0.00 O ATOM 1703 CB ALA B 47 3.080 -4.169 -9.146 1.00 0.00 C ATOM 0 H ALA B 47 3.702 -6.259 -10.097 1.00 0.00 H new ATOM 0 HA ALA B 47 4.188 -3.579 -10.883 1.00 0.00 H new ATOM 0 HB1 ALA B 47 3.015 -3.155 -8.753 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.175 -4.399 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.182 -4.873 -8.320 1.00 0.00 H new ATOM 1709 N VAL B 48 5.954 -4.869 -8.420 1.00 0.00 N ATOM 1710 CA VAL B 48 7.143 -4.662 -7.605 1.00 0.00 C ATOM 1711 C VAL B 48 8.226 -4.017 -8.423 1.00 0.00 C ATOM 1712 O VAL B 48 8.977 -3.174 -7.936 1.00 0.00 O ATOM 1713 CB VAL B 48 7.697 -5.985 -7.041 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.834 -5.722 -6.062 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.601 -6.798 -6.383 1.00 0.00 C ATOM 0 H VAL B 48 5.483 -5.760 -8.264 1.00 0.00 H new ATOM 0 HA VAL B 48 6.847 -4.020 -6.776 1.00 0.00 H new ATOM 0 HB VAL B 48 8.092 -6.565 -7.875 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.209 -6.670 -5.677 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.639 -5.194 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.468 -5.114 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL B 48 7.020 -7.726 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.165 -6.226 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.828 -7.028 -7.117 1.00 0.00 H new ATOM 1725 N GLY B 49 8.303 -4.425 -9.666 1.00 0.00 N ATOM 1726 CA GLY B 49 9.321 -3.869 -10.539 1.00 0.00 C ATOM 1727 C GLY B 49 8.954 -2.591 -11.286 1.00 0.00 C ATOM 1728 O GLY B 49 9.846 -1.832 -11.656 1.00 0.00 O ATOM 0 H GLY B 49 7.693 -5.122 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.211 -3.671 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.592 -4.628 -11.273 1.00 0.00 H new ATOM 1732 N GLU B 50 7.672 -2.307 -11.490 1.00 0.00 N ATOM 1733 CA GLU B 50 7.306 -1.148 -12.317 1.00 0.00 C ATOM 1734 C GLU B 50 6.872 0.169 -11.632 1.00 0.00 C ATOM 1735 O GLU B 50 6.054 0.874 -12.207 1.00 0.00 O ATOM 1736 CB GLU B 50 6.322 -1.525 -13.406 1.00 0.00 C ATOM 1737 CG GLU B 50 6.631 -0.791 -14.693 1.00 0.00 C ATOM 1738 CD GLU B 50 5.418 -0.616 -15.586 1.00 0.00 C ATOM 1739 OE1 GLU B 50 4.860 -1.638 -16.036 1.00 0.00 O ATOM 1740 OE2 GLU B 50 5.026 0.544 -15.835 1.00 0.00 O ATOM 0 H GLU B 50 6.888 -2.839 -11.112 1.00 0.00 H new ATOM 0 HA GLU B 50 8.280 -0.882 -12.727 1.00 0.00 H new ATOM 0 HB2 GLU B 50 6.359 -2.601 -13.579 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.308 -1.289 -13.083 1.00 0.00 H new ATOM 0 HG2 GLU B 50 7.043 0.189 -14.455 1.00 0.00 H new ATOM 0 HG3 GLU B 50 7.401 -1.336 -15.239 1.00 0.00 H new ATOM 1747 N LEU B 51 7.266 0.436 -10.383 1.00 0.00 N ATOM 1748 CA LEU B 51 6.975 1.745 -9.732 1.00 0.00 C ATOM 1749 C LEU B 51 5.926 1.639 -8.666 1.00 0.00 C ATOM 1750 O LEU B 51 4.714 1.508 -8.940 1.00 0.00 O ATOM 1751 CB LEU B 51 6.609 2.857 -10.703 1.00 0.00 C ATOM 1752 CG LEU B 51 6.747 4.267 -10.127 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.210 4.634 -9.902 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.057 5.293 -11.015 1.00 0.00 C ATOM 0 H LEU B 51 7.782 -0.220 -9.797 1.00 0.00 H new ATOM 0 HA LEU B 51 7.922 2.022 -9.269 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.242 2.775 -11.587 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.580 2.711 -11.033 1.00 0.00 H new ATOM 0 HG LEU B 51 6.250 4.276 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.273 5.642 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.659 3.929 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.745 4.594 -10.851 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.172 6.286 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.508 5.277 -12.007 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.997 5.052 -11.094 1.00 0.00 H new ATOM 1766 N GLY B 52 6.447 1.727 -7.443 1.00 0.00 N ATOM 1767 CA GLY B 52 5.676 1.601 -6.241 1.00 0.00 C ATOM 1768 C GLY B 52 4.769 0.441 -6.348 1.00 0.00 C ATOM 1769 O GLY B 52 3.839 0.277 -5.562 1.00 0.00 O ATOM 0 H GLY B 52 7.439 1.892 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.339 1.478 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.100 2.510 -6.071 1.00 0.00 H new ATOM 1773 N LEU B 53 5.095 -0.362 -7.346 1.00 0.00 N ATOM 1774 CA LEU B 53 4.380 -1.546 -7.698 1.00 0.00 C ATOM 1775 C LEU B 53 3.386 -1.195 -8.787 1.00 0.00 C ATOM 1776 O LEU B 53 2.191 -1.446 -8.638 1.00 0.00 O ATOM 1777 CB LEU B 53 3.690 -2.211 -6.499 1.00 0.00 C ATOM 1778 CG LEU B 53 4.572 -2.538 -5.274 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.360 -3.976 -4.820 1.00 0.00 C ATOM 1780 CD2 LEU B 53 6.046 -2.282 -5.563 1.00 0.00 C ATOM 0 H LEU B 53 5.899 -0.188 -7.949 1.00 0.00 H new ATOM 0 HA LEU B 53 5.092 -2.286 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.881 -1.559 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.232 -3.138 -6.843 1.00 0.00 H new ATOM 0 HG LEU B 53 4.269 -1.872 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU B 53 4.992 -4.182 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.315 -4.121 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.621 -4.656 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.637 -2.523 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.367 -2.907 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.189 -1.233 -5.821 1.00 0.00 H new ATOM 1792 N ASP B 54 3.900 -0.604 -9.892 1.00 0.00 N ATOM 1793 CA ASP B 54 3.056 -0.204 -11.014 1.00 0.00 C ATOM 1794 C ASP B 54 1.617 -0.219 -10.602 1.00 0.00 C ATOM 1795 O ASP B 54 1.011 -1.282 -10.565 1.00 0.00 O ATOM 1796 CB ASP B 54 3.217 -1.161 -12.181 1.00 0.00 C ATOM 1797 CG ASP B 54 3.059 -0.470 -13.521 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.565 0.662 -13.668 1.00 0.00 O ATOM 1799 OD2 ASP B 54 2.424 -1.059 -14.421 1.00 0.00 O ATOM 0 H ASP B 54 4.891 -0.400 -10.018 1.00 0.00 H new ATOM 0 HA ASP B 54 3.360 0.799 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.200 -1.629 -12.130 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.479 -1.959 -12.097 1.00 0.00 H new ATOM 1804 N VAL B 55 1.066 0.925 -10.262 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.337 0.938 -9.844 1.00 0.00 C ATOM 1806 C VAL B 55 -1.201 0.042 -10.724 1.00 0.00 C ATOM 1807 O VAL B 55 -1.982 -0.743 -10.184 1.00 0.00 O ATOM 1808 CB VAL B 55 -0.975 2.342 -9.765 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -1.848 2.654 -10.981 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.792 2.440 -8.488 1.00 0.00 C ATOM 0 H VAL B 55 1.536 1.830 -10.262 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.310 0.546 -8.827 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.173 3.080 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.273 3.652 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.241 2.610 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -2.653 1.922 -11.049 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.247 3.428 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.574 1.680 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.142 2.282 -7.627 1.00 0.00 H new ATOM 1820 N PRO B 56 -1.060 0.106 -12.082 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.873 -0.716 -12.977 1.00 0.00 C ATOM 1822 C PRO B 56 -1.718 -2.179 -12.637 1.00 0.00 C ATOM 1823 O PRO B 56 -2.522 -3.020 -13.041 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.314 -0.421 -14.374 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.634 0.894 -14.240 1.00 0.00 C ATOM 1826 CD PRO B 56 -0.085 0.923 -12.843 1.00 0.00 C ATOM 0 HA PRO B 56 -2.937 -0.493 -12.900 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -0.617 -1.196 -14.693 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.109 -0.381 -15.118 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.162 1.001 -14.977 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -1.332 1.715 -14.404 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.919 0.501 -12.795 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -0.022 1.940 -12.456 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.629 -2.483 -11.948 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.366 -3.831 -11.518 1.00 0.00 C ATOM 1836 C LEU B 57 -0.791 -4.090 -10.068 1.00 0.00 C ATOM 1837 O LEU B 57 -1.742 -4.820 -9.825 1.00 0.00 O ATOM 1838 CB LEU B 57 1.102 -4.182 -11.713 1.00 0.00 C ATOM 1839 CG LEU B 57 1.633 -4.020 -13.143 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.093 -4.423 -13.218 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.808 -4.841 -14.123 1.00 0.00 C ATOM 0 H LEU B 57 0.084 -1.806 -11.678 1.00 0.00 H new ATOM 0 HA LEU B 57 -0.976 -4.481 -12.146 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.699 -3.557 -11.049 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.256 -5.215 -11.401 1.00 0.00 H new ATOM 0 HG LEU B 57 1.547 -2.969 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.452 -4.301 -14.240 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.679 -3.792 -12.550 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.199 -5.466 -12.918 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.203 -4.710 -15.130 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.858 -5.894 -13.848 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.229 -4.507 -14.094 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.079 -3.477 -9.110 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.334 -3.701 -7.678 1.00 0.00 C ATOM 1855 C ASP B 58 -1.619 -3.123 -7.135 1.00 0.00 C ATOM 1856 O ASP B 58 -2.460 -3.867 -6.651 1.00 0.00 O ATOM 1857 CB ASP B 58 0.805 -3.149 -6.853 1.00 0.00 C ATOM 1858 CG ASP B 58 0.564 -3.276 -5.361 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.373 -4.002 -4.971 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.311 -2.647 -4.584 1.00 0.00 O ATOM 0 H ASP B 58 0.679 -2.822 -9.301 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.426 -4.784 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.724 -3.673 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP B 58 0.954 -2.099 -7.104 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.775 -1.815 -7.169 1.00 0.00 N ATOM 1866 CA LEU B 59 -2.974 -1.233 -6.609 1.00 0.00 C ATOM 1867 C LEU B 59 -4.129 -1.566 -7.478 1.00 0.00 C ATOM 1868 O LEU B 59 -5.266 -1.336 -7.126 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.848 0.247 -6.336 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.668 0.565 -4.852 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.985 0.472 -4.133 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.661 -0.381 -4.197 1.00 0.00 C ATOM 0 H LEU B 59 -1.108 -1.153 -7.566 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.141 -1.671 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.999 0.643 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.738 0.757 -6.706 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.284 1.583 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.840 0.701 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.687 1.185 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.384 -0.537 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.556 -0.127 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -2.013 -1.408 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.695 -0.283 -4.691 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.794 -2.026 -8.657 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.774 -2.478 -9.607 1.00 0.00 C ATOM 1886 C ALA B 60 -5.071 -3.930 -9.281 1.00 0.00 C ATOM 1887 O ALA B 60 -6.164 -4.424 -9.518 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.255 -2.319 -11.011 1.00 0.00 C ATOM 0 H ALA B 60 -2.831 -2.097 -8.984 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.688 -1.887 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -5.008 -2.665 -11.719 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -4.035 -1.268 -11.201 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.346 -2.908 -11.132 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.048 -4.605 -8.746 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.176 -5.980 -8.283 1.00 0.00 C ATOM 1896 C CYS B 61 -5.034 -5.910 -7.031 1.00 0.00 C ATOM 1897 O CYS B 61 -5.901 -6.748 -6.755 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.789 -6.563 -7.951 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.799 -7.987 -6.813 1.00 0.00 S ATOM 0 H CYS B 61 -3.115 -4.211 -8.625 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.621 -6.623 -9.042 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.307 -6.865 -8.881 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.176 -5.774 -7.515 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.798 -4.829 -6.307 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.497 -4.543 -5.083 1.00 0.00 C ATOM 1906 C ALA B 62 -6.859 -3.924 -5.383 1.00 0.00 C ATOM 1907 O ALA B 62 -7.858 -4.267 -4.747 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.646 -3.631 -4.218 1.00 0.00 C ATOM 0 H ALA B 62 -4.107 -4.123 -6.562 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.674 -5.469 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.174 -3.413 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.701 -4.123 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.451 -2.701 -4.752 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.886 -3.014 -6.363 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.123 -2.363 -6.783 1.00 0.00 C ATOM 1916 C ALA B 63 -9.018 -3.395 -7.399 1.00 0.00 C ATOM 1917 O ALA B 63 -10.239 -3.344 -7.274 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.861 -1.261 -7.790 1.00 0.00 C ATOM 0 H ALA B 63 -6.059 -2.714 -6.879 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.592 -1.911 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.806 -0.800 -8.079 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.211 -0.508 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.378 -1.681 -8.672 1.00 0.00 H new ATOM 1924 N THR B 64 -8.388 -4.349 -8.065 1.00 0.00 N ATOM 1925 CA THR B 64 -9.129 -5.432 -8.674 1.00 0.00 C ATOM 1926 C THR B 64 -9.557 -6.371 -7.568 1.00 0.00 C ATOM 1927 O THR B 64 -9.982 -7.499 -7.817 1.00 0.00 O ATOM 1928 CB THR B 64 -8.341 -6.205 -9.771 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.254 -6.956 -10.579 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.297 -7.158 -9.188 1.00 0.00 C ATOM 0 H THR B 64 -7.377 -4.393 -8.195 1.00 0.00 H new ATOM 0 HA THR B 64 -9.985 -5.003 -9.194 1.00 0.00 H new ATOM 0 HB THR B 64 -7.814 -5.461 -10.368 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.842 -7.486 -10.001 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.779 -7.670 -9.999 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.577 -6.592 -8.597 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.790 -7.893 -8.552 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.434 -5.885 -6.324 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.788 -6.690 -5.178 1.00 0.00 C ATOM 1940 C ALA B 65 -9.996 -5.901 -3.868 1.00 0.00 C ATOM 1941 O ALA B 65 -11.044 -5.309 -3.670 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.740 -7.745 -4.999 1.00 0.00 C ATOM 0 H ALA B 65 -9.095 -4.949 -6.102 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.763 -7.128 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -8.990 -8.364 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.695 -8.368 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.771 -7.272 -4.837 1.00 0.00 H new ATOM 1948 N THR B 66 -9.005 -5.912 -2.960 1.00 0.00 N ATOM 1949 CA THR B 66 -9.171 -5.260 -1.645 1.00 0.00 C ATOM 1950 C THR B 66 -8.943 -3.761 -1.657 1.00 0.00 C ATOM 1951 O THR B 66 -9.755 -3.031 -1.095 1.00 0.00 O ATOM 1952 CB THR B 66 -8.269 -5.852 -0.551 1.00 0.00 C ATOM 1953 OG1 THR B 66 -6.992 -5.225 -0.592 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.113 -7.352 -0.705 1.00 0.00 C ATOM 0 H THR B 66 -8.098 -6.355 -3.105 1.00 0.00 H new ATOM 0 HA THR B 66 -10.218 -5.459 -1.416 1.00 0.00 H new ATOM 0 HB THR B 66 -8.742 -5.665 0.413 1.00 0.00 H new ATOM 0 HG1 THR B 66 -6.612 -5.198 0.311 1.00 0.00 H new ATOM 0 HG21 THR B 66 -7.468 -7.734 0.087 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.091 -7.828 -0.638 1.00 0.00 H new ATOM 0 HG23 THR B 66 -7.667 -7.574 -1.675 1.00 0.00 H new ATOM 1962 N SER B 67 -7.853 -3.274 -2.261 1.00 0.00 N ATOM 1963 CA SER B 67 -7.642 -1.819 -2.274 1.00 0.00 C ATOM 1964 C SER B 67 -8.964 -1.233 -2.659 1.00 0.00 C ATOM 1965 O SER B 67 -9.342 -0.127 -2.272 1.00 0.00 O ATOM 1966 CB SER B 67 -6.559 -1.369 -3.233 1.00 0.00 C ATOM 1967 OG SER B 67 -6.547 0.041 -3.322 1.00 0.00 O ATOM 0 H SER B 67 -7.136 -3.831 -2.726 1.00 0.00 H new ATOM 0 HA SER B 67 -7.296 -1.485 -1.296 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.588 -1.728 -2.892 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.731 -1.802 -4.218 1.00 0.00 H new ATOM 0 HG SER B 67 -6.494 0.309 -4.263 1.00 0.00 H new ATOM 1973 N SER B 68 -9.637 -2.035 -3.462 1.00 0.00 N ATOM 1974 CA SER B 68 -10.977 -1.820 -3.857 1.00 0.00 C ATOM 1975 C SER B 68 -11.198 -0.797 -4.928 1.00 0.00 C ATOM 1976 O SER B 68 -11.059 0.403 -4.726 1.00 0.00 O ATOM 1977 CB SER B 68 -11.836 -1.518 -2.651 1.00 0.00 C ATOM 1978 OG SER B 68 -13.142 -1.137 -3.040 1.00 0.00 O ATOM 0 H SER B 68 -9.231 -2.881 -3.861 1.00 0.00 H new ATOM 0 HA SER B 68 -11.275 -2.759 -4.323 1.00 0.00 H new ATOM 0 HB2 SER B 68 -11.886 -2.396 -2.007 1.00 0.00 H new ATOM 0 HB3 SER B 68 -11.380 -0.719 -2.066 1.00 0.00 H new ATOM 0 HG SER B 68 -13.601 -1.904 -3.442 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.556 -1.332 -6.069 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.923 -0.554 -7.232 1.00 0.00 C ATOM 1986 C ALA B 69 -11.982 -1.452 -8.449 1.00 0.00 C ATOM 1987 O ALA B 69 -11.477 -1.117 -9.521 1.00 0.00 O ATOM 1988 CB ALA B 69 -10.978 0.610 -7.461 1.00 0.00 C ATOM 0 H ALA B 69 -11.602 -2.340 -6.221 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.909 -0.126 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.292 1.166 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -10.995 1.269 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -9.966 0.233 -7.610 1.00 0.00 H new ATOM 1994 N THR B 70 -12.610 -2.600 -8.261 1.00 0.00 N ATOM 1995 CA THR B 70 -12.744 -3.581 -9.320 1.00 0.00 C ATOM 1996 C THR B 70 -14.089 -3.447 -10.014 1.00 0.00 C ATOM 1997 O THR B 70 -15.102 -3.972 -9.554 1.00 0.00 O ATOM 1998 CB THR B 70 -12.568 -5.018 -8.788 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.492 -5.902 -9.431 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.762 -5.072 -7.279 1.00 0.00 C ATOM 0 H THR B 70 -13.038 -2.875 -7.377 1.00 0.00 H new ATOM 0 HA THR B 70 -11.951 -3.386 -10.042 1.00 0.00 H new ATOM 0 HB THR B 70 -11.551 -5.337 -9.014 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.584 -6.721 -8.901 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.632 -6.097 -6.932 1.00 0.00 H new ATOM 0 HG22 THR B 70 -12.027 -4.429 -6.794 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.766 -4.729 -7.029 1.00 0.00 H new ATOM 2008 N GLU B 71 -14.082 -2.727 -11.126 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.282 -2.500 -11.918 1.00 0.00 C ATOM 2010 C GLU B 71 -15.834 -3.818 -12.455 1.00 0.00 C ATOM 2011 O GLU B 71 -16.886 -3.854 -13.095 1.00 0.00 O ATOM 2012 CB GLU B 71 -14.950 -1.519 -13.049 1.00 0.00 C ATOM 2013 CG GLU B 71 -16.040 -1.375 -14.102 1.00 0.00 C ATOM 2014 CD GLU B 71 -15.676 -0.377 -15.184 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -15.043 -0.785 -16.179 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -16.025 0.813 -15.035 1.00 0.00 O ATOM 0 H GLU B 71 -13.245 -2.284 -11.505 1.00 0.00 H new ATOM 0 HA GLU B 71 -16.061 -2.064 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -14.750 -0.539 -12.616 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -14.032 -1.845 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -16.230 -2.347 -14.558 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -16.966 -1.062 -13.620 1.00 0.00 H new ATOM 2023 N ALA B 72 -15.130 -4.907 -12.167 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.550 -6.219 -12.625 1.00 0.00 C ATOM 2025 C ALA B 72 -16.370 -6.961 -11.568 1.00 0.00 C ATOM 2026 O ALA B 72 -17.295 -7.700 -11.907 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.344 -7.046 -13.041 1.00 0.00 C ATOM 0 H ALA B 72 -14.269 -4.904 -11.620 1.00 0.00 H new ATOM 0 HA ALA B 72 -16.196 -6.071 -13.491 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.675 -8.027 -13.382 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.817 -6.540 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.673 -7.165 -12.190 1.00 0.00 H new ATOM 2033 N CYS B 73 -16.036 -6.770 -10.290 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.764 -7.440 -9.211 1.00 0.00 C ATOM 2035 C CYS B 73 -17.558 -6.450 -8.403 1.00 0.00 C ATOM 2036 O CYS B 73 -18.261 -6.830 -7.468 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.816 -8.129 -8.232 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.409 -8.989 -8.996 1.00 0.00 S ATOM 0 H CYS B 73 -15.276 -6.165 -9.980 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.412 -8.170 -9.696 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.432 -7.383 -7.537 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.386 -8.849 -7.644 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.462 -5.186 -8.758 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.117 -4.174 -7.972 1.00 0.00 C ATOM 2045 C LYS B 74 -19.626 -4.223 -7.993 1.00 0.00 C ATOM 2046 O LYS B 74 -20.249 -5.257 -7.748 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.633 -2.769 -8.302 1.00 0.00 C ATOM 2048 CG LYS B 74 -17.870 -1.811 -7.140 1.00 0.00 C ATOM 2049 CD LYS B 74 -18.978 -0.802 -7.420 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.302 0.076 -6.225 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.197 1.207 -6.596 1.00 0.00 N ATOM 0 H LYS B 74 -16.947 -4.844 -9.569 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.820 -4.420 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.570 -2.796 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.151 -2.403 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.125 -2.385 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -16.945 -1.277 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.682 -0.170 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -19.878 -1.336 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.778 -0.525 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.378 0.468 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.286 1.858 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.795 1.716 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.136 0.838 -6.849 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.194 -3.079 -8.290 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.605 -2.910 -8.215 1.00 0.00 C ATOM 2067 C GLY B 75 -21.950 -2.926 -6.750 1.00 0.00 C ATOM 2068 O GLY B 75 -23.088 -3.189 -6.362 1.00 0.00 O ATOM 0 H GLY B 75 -19.683 -2.248 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -21.910 -1.971 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -22.122 -3.709 -8.746 1.00 0.00 H new ATOM 2072 N CYS B 76 -20.921 -2.627 -5.923 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.068 -2.668 -4.488 1.00 0.00 C ATOM 2074 C CYS B 76 -19.963 -1.933 -3.696 1.00 0.00 C ATOM 2075 O CYS B 76 -20.238 -0.949 -3.014 1.00 0.00 O ATOM 2076 CB CYS B 76 -21.030 -4.134 -4.058 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.636 -4.991 -4.046 1.00 0.00 S ATOM 0 H CYS B 76 -19.991 -2.358 -6.244 1.00 0.00 H new ATOM 0 HA CYS B 76 -22.006 -2.160 -4.264 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.356 -4.672 -4.724 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.601 -4.190 -3.058 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.712 -2.395 -3.825 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.603 -1.909 -2.972 1.00 0.00 C ATOM 2084 C LEU B 77 -16.606 -0.873 -3.538 1.00 0.00 C ATOM 2085 O LEU B 77 -15.827 -0.343 -2.750 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.802 -3.139 -2.553 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.619 -2.893 -1.610 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.095 -2.308 -0.301 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.858 -4.180 -1.358 1.00 0.00 C ATOM 0 H LEU B 77 -18.437 -3.102 -4.507 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.105 -1.357 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.482 -3.842 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.426 -3.625 -3.453 1.00 0.00 H new ATOM 0 HG LEU B 77 -14.948 -2.180 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.241 -2.141 0.355 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.600 -1.360 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.788 -3.000 0.176 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -14.022 -3.983 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.524 -4.913 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.480 -4.570 -2.303 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.607 -0.566 -4.837 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.608 0.386 -5.401 1.00 0.00 C ATOM 2103 C TRP B 78 -14.919 1.234 -4.331 1.00 0.00 C ATOM 2104 O TRP B 78 -15.606 2.032 -3.667 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.203 1.318 -6.468 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.111 0.773 -7.853 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.254 -0.183 -8.303 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -16.919 1.141 -8.964 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.503 -0.460 -9.617 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.521 0.347 -10.047 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -17.950 2.058 -9.140 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -17.122 0.438 -11.288 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.548 2.156 -10.381 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -18.134 1.344 -11.443 1.00 0.00 C ATOM 2115 OXT TRP B 78 -13.688 1.098 -4.178 1.00 0.00 O ATOM 0 H TRP B 78 -17.266 -0.945 -5.517 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.863 -0.255 -5.872 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.250 1.508 -6.230 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.688 2.278 -6.429 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.487 -0.655 -7.707 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -15.012 -1.152 -10.183 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.277 2.682 -8.321 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.802 -0.187 -12.109 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.345 2.868 -10.534 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.623 1.435 -12.402 1.00 0.00 H new