USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 510 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: A 58 GLN :FLIP amide:sc= -2! C(o=-5.8!,f=-4!) USER MOD Set 1.2: A 73 TYR OH : rot -43:sc= -2.05! USER MOD Set 2.1: A 24 LYS NZ :NH3+ 168:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 26 SER OG : rot -90:sc=-0.00602 USER MOD Single : A 9 TYR OH : rot -38:sc= 0.312 USER MOD Single : A 12 THR OG1 : rot -110:sc= 2.1 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -101:sc= -0.388 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0.196 (180deg=0.0855) USER MOD Single : A 16 THR OG1 : rot -100:sc= -5.16! USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= -0.201 (180deg=-0.438) USER MOD Single : A 18 ASN : amide:sc= 0.995 K(o=0.99,f=-0.14) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 23 GLN :FLIP amide:sc= -14.2! C(o=-16!,f=-14!) USER MOD Single : A 27 SER OG : rot -110:sc= -0.302 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 61:sc= 0.29 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -4.71! C(o=-6.4!,f=-4.7!) USER MOD Single : A 36 SER OG : rot 44:sc= 1.21 USER MOD Single : A 39 THR OG1 : rot -50:sc= 1.16 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -1.55 F(o=-2.1,f=-1.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.13! C(o=-2.1!,f=-7.6!) USER MOD Single : A 49 TYR OH : rot 107:sc= 0.19 USER MOD Single : A 52 ASN : amide:sc= -0.83! C(o=-0.83!,f=-5.3!) USER MOD Single : A 55 ASN : amide:sc= 0.0197 K(o=0.02,f=-1.4) USER MOD Single : A 63 TYR OH : rot 166:sc= 0.622 USER MOD Single : A 64 THR OG1 : rot 87:sc= -8.21! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 69 LYS NZ :NH3+ -137:sc= -8.36! (180deg=-13!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N TYR A 9 16.409 4.135 -4.208 1.00 0.00 N ATOM 114 CA TYR A 9 16.966 3.241 -3.139 1.00 0.00 C ATOM 115 C TYR A 9 17.521 4.048 -1.950 1.00 0.00 C ATOM 116 O TYR A 9 17.496 5.258 -1.954 1.00 0.00 O ATOM 117 CB TYR A 9 18.122 2.410 -3.755 1.00 0.00 C ATOM 118 CG TYR A 9 17.611 1.039 -4.242 1.00 0.00 C ATOM 119 CD1 TYR A 9 16.668 0.331 -3.522 1.00 0.00 C ATOM 120 CD2 TYR A 9 18.116 0.482 -5.398 1.00 0.00 C ATOM 121 CE1 TYR A 9 16.243 -0.910 -3.954 1.00 0.00 C ATOM 122 CE2 TYR A 9 17.689 -0.758 -5.826 1.00 0.00 C ATOM 123 CZ TYR A 9 16.750 -1.461 -5.107 1.00 0.00 C ATOM 124 OH TYR A 9 16.328 -2.700 -5.531 1.00 0.00 O ATOM 0 HA TYR A 9 16.163 2.603 -2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 9 18.564 2.956 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 9 18.909 2.268 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 9 16.260 0.751 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 9 18.853 1.022 -5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 9 15.506 -1.453 -3.381 1.00 0.00 H new ATOM 0 HE2 TYR A 9 18.095 -1.180 -6.733 1.00 0.00 H new ATOM 0 HH TYR A 9 16.204 -3.286 -4.756 1.00 0.00 H new ATOM 134 N ARG A 10 17.998 3.343 -0.950 1.00 0.00 N ATOM 135 CA ARG A 10 18.563 4.032 0.260 1.00 0.00 C ATOM 136 C ARG A 10 18.929 3.013 1.346 1.00 0.00 C ATOM 137 O ARG A 10 19.984 3.086 1.943 1.00 0.00 O ATOM 138 CB ARG A 10 17.502 5.001 0.828 1.00 0.00 C ATOM 139 CG ARG A 10 18.010 6.444 0.691 1.00 0.00 C ATOM 140 CD ARG A 10 18.938 6.772 1.865 1.00 0.00 C ATOM 141 NE ARG A 10 19.193 8.249 1.875 1.00 0.00 N ATOM 142 CZ ARG A 10 20.345 8.696 2.242 1.00 0.00 C ATOM 143 NH1 ARG A 10 21.273 8.796 1.365 1.00 0.00 N ATOM 144 NH2 ARG A 10 20.522 9.030 3.469 1.00 0.00 N ATOM 0 H ARG A 10 18.021 2.324 -0.918 1.00 0.00 H new ATOM 0 HA ARG A 10 19.462 4.573 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.560 4.882 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.305 4.770 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 10 18.542 6.565 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.169 7.137 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.483 6.460 2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.877 6.227 1.769 1.00 0.00 H new ATOM 0 HE ARG A 10 18.458 8.898 1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 10 21.093 8.524 0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.192 9.147 1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.757 8.940 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.428 9.385 3.775 1.00 0.00 H new ATOM 158 N GLY A 11 18.030 2.088 1.580 1.00 0.00 N ATOM 159 CA GLY A 11 18.280 1.030 2.628 1.00 0.00 C ATOM 160 C GLY A 11 18.664 -0.300 1.969 1.00 0.00 C ATOM 161 O GLY A 11 19.046 -1.243 2.636 1.00 0.00 O ATOM 0 H GLY A 11 17.135 2.014 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.077 1.354 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.387 0.896 3.238 1.00 0.00 H new ATOM 165 N THR A 12 18.549 -0.342 0.669 1.00 0.00 N ATOM 166 CA THR A 12 18.896 -1.587 -0.080 1.00 0.00 C ATOM 167 C THR A 12 20.261 -2.115 0.341 1.00 0.00 C ATOM 168 O THR A 12 20.564 -3.271 0.128 1.00 0.00 O ATOM 169 CB THR A 12 18.923 -1.246 -1.567 1.00 0.00 C ATOM 170 OG1 THR A 12 19.138 -2.471 -2.225 1.00 0.00 O ATOM 171 CG2 THR A 12 20.141 -0.383 -1.927 1.00 0.00 C ATOM 0 H THR A 12 18.229 0.434 0.090 1.00 0.00 H new ATOM 0 HA THR A 12 18.156 -2.358 0.134 1.00 0.00 H new ATOM 0 HB THR A 12 18.007 -0.721 -1.836 1.00 0.00 H new ATOM 0 HG1 THR A 12 20.039 -2.482 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.126 -0.160 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.107 0.548 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.055 -0.924 -1.682 1.00 0.00 H new ATOM 179 N MET A 13 21.061 -1.241 0.938 1.00 0.00 N ATOM 180 CA MET A 13 22.425 -1.653 1.396 1.00 0.00 C ATOM 181 C MET A 13 22.441 -3.122 1.748 1.00 0.00 C ATOM 182 O MET A 13 23.264 -3.876 1.271 1.00 0.00 O ATOM 183 CB MET A 13 22.771 -0.836 2.659 1.00 0.00 C ATOM 184 CG MET A 13 23.870 0.178 2.324 1.00 0.00 C ATOM 185 SD MET A 13 23.353 1.765 1.621 1.00 0.00 S ATOM 186 CE MET A 13 23.314 2.700 3.172 1.00 0.00 C ATOM 0 H MET A 13 20.820 -0.267 1.122 1.00 0.00 H new ATOM 0 HA MET A 13 23.148 -1.474 0.600 1.00 0.00 H new ATOM 0 HB2 MET A 13 21.884 -0.320 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.105 -1.501 3.456 1.00 0.00 H new ATOM 0 HG2 MET A 13 24.431 0.380 3.236 1.00 0.00 H new ATOM 0 HG3 MET A 13 24.560 -0.292 1.623 1.00 0.00 H new ATOM 0 HE1 MET A 13 23.013 3.728 2.970 1.00 0.00 H new ATOM 0 HE2 MET A 13 22.600 2.241 3.856 1.00 0.00 H new ATOM 0 HE3 MET A 13 24.305 2.694 3.625 1.00 0.00 H new ATOM 196 N SER A 14 21.500 -3.463 2.575 1.00 0.00 N ATOM 197 CA SER A 14 21.338 -4.870 3.050 1.00 0.00 C ATOM 198 C SER A 14 20.732 -4.886 4.448 1.00 0.00 C ATOM 199 O SER A 14 21.275 -5.469 5.365 1.00 0.00 O ATOM 200 CB SER A 14 22.701 -5.589 3.075 1.00 0.00 C ATOM 201 OG SER A 14 23.602 -4.654 3.672 1.00 0.00 O ATOM 0 H SER A 14 20.814 -2.810 2.955 1.00 0.00 H new ATOM 0 HA SER A 14 20.672 -5.390 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.650 -6.512 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.023 -5.860 2.069 1.00 0.00 H new ATOM 0 HG SER A 14 24.137 -4.224 2.973 1.00 0.00 H new ATOM 207 N LYS A 15 19.609 -4.236 4.576 1.00 0.00 N ATOM 208 CA LYS A 15 18.925 -4.183 5.890 1.00 0.00 C ATOM 209 C LYS A 15 17.462 -4.590 5.720 1.00 0.00 C ATOM 210 O LYS A 15 16.894 -4.426 4.655 1.00 0.00 O ATOM 211 CB LYS A 15 19.015 -2.747 6.421 1.00 0.00 C ATOM 212 CG LYS A 15 20.407 -2.541 7.027 1.00 0.00 C ATOM 213 CD LYS A 15 20.560 -1.086 7.488 1.00 0.00 C ATOM 214 CE LYS A 15 21.599 -1.021 8.612 1.00 0.00 C ATOM 215 NZ LYS A 15 21.033 -1.576 9.882 1.00 0.00 N ATOM 0 H LYS A 15 19.137 -3.738 3.821 1.00 0.00 H new ATOM 0 HA LYS A 15 19.397 -4.868 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.843 -2.033 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.245 -2.572 7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.551 -3.217 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.174 -2.782 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.870 -0.458 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.603 -0.700 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.488 -1.584 8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.912 0.012 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.783 -1.634 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.273 -0.954 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.649 -2.526 9.705 1.00 0.00 H new ATOM 229 N THR A 16 16.876 -5.118 6.762 1.00 0.00 N ATOM 230 CA THR A 16 15.455 -5.535 6.652 1.00 0.00 C ATOM 231 C THR A 16 14.493 -4.575 7.373 1.00 0.00 C ATOM 232 O THR A 16 14.664 -4.277 8.551 1.00 0.00 O ATOM 233 CB THR A 16 15.292 -6.956 7.242 1.00 0.00 C ATOM 234 OG1 THR A 16 16.584 -7.384 7.611 1.00 0.00 O ATOM 235 CG2 THR A 16 14.891 -7.955 6.157 1.00 0.00 C ATOM 0 H THR A 16 17.315 -5.275 7.669 1.00 0.00 H new ATOM 0 HA THR A 16 15.196 -5.519 5.593 1.00 0.00 H new ATOM 0 HB THR A 16 14.557 -6.918 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.940 -7.981 6.921 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.783 -8.946 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.943 -7.649 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.661 -7.983 5.386 1.00 0.00 H new ATOM 243 N LYS A 17 13.505 -4.127 6.605 1.00 0.00 N ATOM 244 CA LYS A 17 12.431 -3.176 7.078 1.00 0.00 C ATOM 245 C LYS A 17 12.853 -2.264 8.240 1.00 0.00 C ATOM 246 O LYS A 17 12.021 -1.857 9.032 1.00 0.00 O ATOM 247 CB LYS A 17 11.205 -4.025 7.508 1.00 0.00 C ATOM 248 CG LYS A 17 11.491 -4.674 8.873 1.00 0.00 C ATOM 249 CD LYS A 17 10.436 -4.213 9.890 1.00 0.00 C ATOM 250 CE LYS A 17 10.624 -4.991 11.192 1.00 0.00 C ATOM 251 NZ LYS A 17 10.164 -6.398 11.022 1.00 0.00 N ATOM 0 H LYS A 17 13.401 -4.398 5.627 1.00 0.00 H new ATOM 0 HA LYS A 17 12.206 -2.505 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.317 -3.397 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.001 -4.793 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.474 -5.760 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.488 -4.399 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.533 -3.143 10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.434 -4.379 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.674 -4.977 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.063 -4.512 11.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.201 -6.889 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.187 -6.403 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.782 -6.886 10.343 1.00 0.00 H new ATOM 265 N ASN A 18 14.116 -1.936 8.310 1.00 0.00 N ATOM 266 CA ASN A 18 14.586 -1.048 9.422 1.00 0.00 C ATOM 267 C ASN A 18 16.095 -1.072 9.551 1.00 0.00 C ATOM 268 O ASN A 18 16.760 -0.068 9.449 1.00 0.00 O ATOM 269 CB ASN A 18 14.055 -1.594 10.738 1.00 0.00 C ATOM 270 CG ASN A 18 13.296 -0.503 11.491 1.00 0.00 C ATOM 271 OD1 ASN A 18 13.832 0.162 12.344 1.00 0.00 O ATOM 272 ND2 ASN A 18 12.050 -0.290 11.204 1.00 0.00 N ATOM 0 H ASN A 18 14.838 -2.238 7.656 1.00 0.00 H new ATOM 0 HA ASN A 18 14.238 -0.038 9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.397 -2.442 10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.880 -1.961 11.348 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.530 0.435 11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.590 -0.848 10.484 1.00 0.00 H new ATOM 279 N GLY A 19 16.604 -2.237 9.803 1.00 0.00 N ATOM 280 CA GLY A 19 18.051 -2.361 9.946 1.00 0.00 C ATOM 281 C GLY A 19 18.511 -3.808 10.130 1.00 0.00 C ATOM 282 O GLY A 19 19.700 -4.048 10.218 1.00 0.00 O ATOM 0 H GLY A 19 16.073 -3.101 9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.535 -1.941 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.378 -1.770 10.801 1.00 0.00 H new ATOM 286 N ILE A 20 17.591 -4.755 10.178 1.00 0.00 N ATOM 287 CA ILE A 20 18.036 -6.169 10.357 1.00 0.00 C ATOM 288 C ILE A 20 19.009 -6.548 9.233 1.00 0.00 C ATOM 289 O ILE A 20 18.691 -6.427 8.071 1.00 0.00 O ATOM 290 CB ILE A 20 16.796 -7.074 10.322 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.030 -6.957 11.631 1.00 0.00 C ATOM 292 CG2 ILE A 20 17.222 -8.551 10.146 1.00 0.00 C ATOM 293 CD1 ILE A 20 14.741 -7.777 11.528 1.00 0.00 C ATOM 0 H ILE A 20 16.584 -4.610 10.103 1.00 0.00 H new ATOM 0 HA ILE A 20 18.550 -6.290 11.311 1.00 0.00 H new ATOM 0 HB ILE A 20 16.168 -6.761 9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.641 -7.318 12.458 1.00 0.00 H new ATOM 0 HG13 ILE A 20 15.797 -5.913 11.839 1.00 0.00 H new ATOM 0 HG21 ILE A 20 16.336 -9.185 10.122 1.00 0.00 H new ATOM 0 HG22 ILE A 20 17.773 -8.662 9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 20 17.858 -8.848 10.980 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.185 -7.699 12.462 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.131 -7.395 10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 20 14.988 -8.822 11.339 1.00 0.00 H new ATOM 305 N THR A 21 20.193 -6.961 9.593 1.00 0.00 N ATOM 306 CA THR A 21 21.174 -7.341 8.555 1.00 0.00 C ATOM 307 C THR A 21 20.598 -8.355 7.570 1.00 0.00 C ATOM 308 O THR A 21 20.286 -9.474 7.939 1.00 0.00 O ATOM 309 CB THR A 21 22.407 -7.964 9.228 1.00 0.00 C ATOM 310 OG1 THR A 21 22.522 -7.324 10.489 1.00 0.00 O ATOM 311 CG2 THR A 21 23.689 -7.571 8.479 1.00 0.00 C ATOM 0 H THR A 21 20.516 -7.049 10.556 1.00 0.00 H new ATOM 0 HA THR A 21 21.439 -6.438 8.005 1.00 0.00 H new ATOM 0 HB THR A 21 22.297 -9.048 9.264 1.00 0.00 H new ATOM 0 HG1 THR A 21 23.297 -7.684 10.969 1.00 0.00 H new ATOM 0 HG21 THR A 21 24.551 -8.022 8.971 1.00 0.00 H new ATOM 0 HG22 THR A 21 23.632 -7.925 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 21 23.795 -6.486 8.484 1.00 0.00 H new ATOM 319 N CYS A 22 20.458 -7.937 6.339 1.00 0.00 N ATOM 320 CA CYS A 22 19.908 -8.852 5.301 1.00 0.00 C ATOM 321 C CYS A 22 20.950 -9.923 4.937 1.00 0.00 C ATOM 322 O CYS A 22 21.748 -10.304 5.767 1.00 0.00 O ATOM 323 CB CYS A 22 19.556 -8.011 4.062 1.00 0.00 C ATOM 324 SG CYS A 22 17.959 -7.163 4.066 1.00 0.00 S ATOM 0 H CYS A 22 20.701 -7.003 6.010 1.00 0.00 H new ATOM 0 HA CYS A 22 19.018 -9.358 5.676 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.336 -7.261 3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 22 19.590 -8.664 3.190 1.00 0.00 H new ATOM 329 N GLN A 23 20.932 -10.393 3.719 1.00 0.00 N ATOM 330 CA GLN A 23 21.923 -11.434 3.323 1.00 0.00 C ATOM 331 C GLN A 23 22.535 -11.133 1.958 1.00 0.00 C ATOM 332 O GLN A 23 22.493 -10.020 1.510 1.00 0.00 O ATOM 333 CB GLN A 23 21.192 -12.760 3.263 1.00 0.00 C ATOM 334 CG GLN A 23 19.941 -12.600 2.399 1.00 0.00 C ATOM 335 CD GLN A 23 19.107 -13.881 2.527 1.00 0.00 C ATOM 336 OE1 GLN A 23 19.035 -14.490 3.680 1.00 0.00 O flip ATOM 337 NE2 GLN A 23 18.529 -14.346 1.581 1.00 0.00 N flip ATOM 0 H GLN A 23 20.281 -10.105 2.988 1.00 0.00 H new ATOM 0 HA GLN A 23 22.735 -11.456 4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 23 21.842 -13.530 2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.917 -13.084 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.362 -11.735 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 23 20.216 -12.427 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.577 -13.880 0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.991 -15.206 1.685 1.00 0.00 H new ATOM 346 N LYS A 24 23.092 -12.141 1.313 1.00 0.00 N ATOM 347 CA LYS A 24 23.703 -11.899 -0.019 1.00 0.00 C ATOM 348 C LYS A 24 23.108 -12.810 -1.086 1.00 0.00 C ATOM 349 O LYS A 24 23.564 -12.862 -2.206 1.00 0.00 O ATOM 350 CB LYS A 24 25.210 -12.152 0.146 1.00 0.00 C ATOM 351 CG LYS A 24 25.641 -13.398 -0.624 1.00 0.00 C ATOM 352 CD LYS A 24 27.085 -13.761 -0.217 1.00 0.00 C ATOM 353 CE LYS A 24 27.992 -13.765 -1.460 1.00 0.00 C ATOM 354 NZ LYS A 24 28.744 -15.055 -1.550 1.00 0.00 N ATOM 0 H LYS A 24 23.144 -13.101 1.654 1.00 0.00 H new ATOM 0 HA LYS A 24 23.506 -10.880 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.769 -11.287 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.449 -12.272 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 24 24.968 -14.227 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.586 -13.216 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.458 -13.044 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.103 -14.741 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.390 -13.624 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.692 -12.931 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.191 -15.131 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.477 -15.082 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.087 -15.850 -1.414 1.00 0.00 H new ATOM 368 N TRP A 25 22.098 -13.501 -0.697 1.00 0.00 N ATOM 369 CA TRP A 25 21.414 -14.440 -1.637 1.00 0.00 C ATOM 370 C TRP A 25 22.335 -15.612 -1.943 1.00 0.00 C ATOM 371 O TRP A 25 22.210 -16.266 -2.950 1.00 0.00 O ATOM 372 CB TRP A 25 21.075 -13.713 -2.975 1.00 0.00 C ATOM 373 CG TRP A 25 20.339 -12.367 -2.748 1.00 0.00 C ATOM 374 CD1 TRP A 25 20.647 -11.242 -3.391 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.273 -12.183 -1.980 1.00 0.00 C ATOM 376 NE1 TRP A 25 19.707 -10.368 -2.985 1.00 0.00 N ATOM 377 CE2 TRP A 25 18.799 -10.883 -2.091 1.00 0.00 C ATOM 378 CE3 TRP A 25 18.626 -13.068 -1.150 1.00 0.00 C ATOM 379 CZ2 TRP A 25 17.681 -10.488 -1.377 1.00 0.00 C ATOM 380 CZ3 TRP A 25 17.522 -12.674 -0.438 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.047 -11.382 -0.550 1.00 0.00 C ATOM 0 H TRP A 25 21.700 -13.466 0.242 1.00 0.00 H new ATOM 0 HA TRP A 25 20.494 -14.792 -1.170 1.00 0.00 H new ATOM 0 HB2 TRP A 25 21.996 -13.531 -3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 25 20.455 -14.364 -3.591 1.00 0.00 H new ATOM 0 HD1 TRP A 25 21.462 -11.071 -4.079 1.00 0.00 H new ATOM 0 HE1 TRP A 25 19.672 -9.403 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 25 18.990 -14.081 -1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 17.308 -9.479 -1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.022 -13.377 0.213 1.00 0.00 H new ATOM 0 HH2 TRP A 25 16.178 -11.075 0.012 1.00 0.00 H new ATOM 392 N SER A 26 23.238 -15.854 -1.044 1.00 0.00 N ATOM 393 CA SER A 26 24.203 -16.974 -1.227 1.00 0.00 C ATOM 394 C SER A 26 23.570 -18.340 -0.942 1.00 0.00 C ATOM 395 O SER A 26 24.265 -19.268 -0.596 1.00 0.00 O ATOM 396 CB SER A 26 25.361 -16.750 -0.234 1.00 0.00 C ATOM 397 OG SER A 26 26.486 -16.468 -1.066 1.00 0.00 O ATOM 0 H SER A 26 23.354 -15.322 -0.181 1.00 0.00 H new ATOM 0 HA SER A 26 24.540 -16.980 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 26 25.150 -15.923 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 26 25.533 -17.632 0.383 1.00 0.00 H new ATOM 0 HG SER A 26 26.947 -17.304 -1.288 1.00 0.00 H new ATOM 403 N SER A 27 22.272 -18.440 -1.110 1.00 0.00 N ATOM 404 CA SER A 27 21.589 -19.748 -0.847 1.00 0.00 C ATOM 405 C SER A 27 21.898 -20.271 0.548 1.00 0.00 C ATOM 406 O SER A 27 22.661 -19.684 1.295 1.00 0.00 O ATOM 407 CB SER A 27 22.075 -20.770 -1.882 1.00 0.00 C ATOM 408 OG SER A 27 21.282 -21.921 -1.623 1.00 0.00 O ATOM 0 H SER A 27 21.662 -17.682 -1.414 1.00 0.00 H new ATOM 0 HA SER A 27 20.512 -19.596 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 27 21.932 -20.407 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 27 23.138 -20.982 -1.766 1.00 0.00 H new ATOM 0 HG SER A 27 21.844 -22.625 -1.237 1.00 0.00 H new ATOM 414 N THR A 28 21.311 -21.383 0.866 1.00 0.00 N ATOM 415 CA THR A 28 21.542 -21.971 2.199 1.00 0.00 C ATOM 416 C THR A 28 23.002 -22.162 2.508 1.00 0.00 C ATOM 417 O THR A 28 23.642 -23.026 1.954 1.00 0.00 O ATOM 418 CB THR A 28 20.858 -23.321 2.288 1.00 0.00 C ATOM 419 OG1 THR A 28 19.478 -23.033 2.324 1.00 0.00 O ATOM 420 CG2 THR A 28 21.156 -23.956 3.643 1.00 0.00 C ATOM 0 H THR A 28 20.682 -21.908 0.259 1.00 0.00 H new ATOM 0 HA THR A 28 21.131 -21.269 2.924 1.00 0.00 H new ATOM 0 HB THR A 28 21.175 -23.969 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.971 -23.870 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.664 -24.927 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 28 22.232 -24.087 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.785 -23.309 4.438 1.00 0.00 H new ATOM 428 N SER A 29 23.495 -21.348 3.409 1.00 0.00 N ATOM 429 CA SER A 29 24.927 -21.440 3.800 1.00 0.00 C ATOM 430 C SER A 29 25.387 -20.174 4.545 1.00 0.00 C ATOM 431 O SER A 29 26.054 -19.325 3.987 1.00 0.00 O ATOM 432 CB SER A 29 25.762 -21.593 2.525 1.00 0.00 C ATOM 433 OG SER A 29 25.287 -20.550 1.676 1.00 0.00 O ATOM 0 H SER A 29 22.962 -20.623 3.889 1.00 0.00 H new ATOM 0 HA SER A 29 25.056 -22.294 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.827 -21.487 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.621 -22.574 2.070 1.00 0.00 H new ATOM 0 HG SER A 29 25.449 -19.682 2.102 1.00 0.00 H new ATOM 439 N PRO A 30 25.000 -20.066 5.808 1.00 0.00 N ATOM 440 CA PRO A 30 24.155 -21.065 6.486 1.00 0.00 C ATOM 441 C PRO A 30 22.707 -20.972 6.017 1.00 0.00 C ATOM 442 O PRO A 30 22.125 -21.943 5.598 1.00 0.00 O ATOM 443 CB PRO A 30 24.233 -20.688 7.978 1.00 0.00 C ATOM 444 CG PRO A 30 24.937 -19.302 8.068 1.00 0.00 C ATOM 445 CD PRO A 30 25.427 -18.944 6.653 1.00 0.00 C ATOM 0 HA PRO A 30 24.491 -22.081 6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 30 23.236 -20.642 8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 30 24.791 -21.440 8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.247 -18.544 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.773 -19.341 8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 30 24.993 -18.005 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 30 26.510 -18.822 6.629 1.00 0.00 H new ATOM 453 N HIS A 31 22.162 -19.796 6.104 1.00 0.00 N ATOM 454 CA HIS A 31 20.744 -19.600 5.669 1.00 0.00 C ATOM 455 C HIS A 31 20.646 -18.598 4.506 1.00 0.00 C ATOM 456 O HIS A 31 21.325 -17.593 4.491 1.00 0.00 O ATOM 457 CB HIS A 31 19.924 -19.068 6.841 1.00 0.00 C ATOM 458 CG HIS A 31 18.480 -18.891 6.373 1.00 0.00 C ATOM 459 ND1 HIS A 31 17.962 -18.004 5.458 1.00 0.00 N flip ATOM 460 CD2 HIS A 31 17.507 -19.578 6.754 1.00 0.00 C flip ATOM 461 CE1 HIS A 31 16.631 -18.212 5.329 1.00 0.00 C flip ATOM 462 NE2 HIS A 31 16.432 -19.215 6.176 1.00 0.00 N flip ATOM 0 H HIS A 31 22.630 -18.960 6.455 1.00 0.00 H new ATOM 0 HA HIS A 31 20.360 -20.563 5.334 1.00 0.00 H new ATOM 0 HB2 HIS A 31 19.969 -19.761 7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 31 20.330 -18.118 7.189 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.570 -20.376 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.918 -17.697 4.702 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.523 -19.645 6.344 1.00 0.00 H new ATOM 470 N ARG A 32 19.789 -18.913 3.565 1.00 0.00 N ATOM 471 CA ARG A 32 19.574 -18.039 2.361 1.00 0.00 C ATOM 472 C ARG A 32 18.854 -18.885 1.271 1.00 0.00 C ATOM 473 O ARG A 32 19.320 -19.938 0.909 1.00 0.00 O ATOM 474 CB ARG A 32 20.959 -17.575 1.826 1.00 0.00 C ATOM 475 CG ARG A 32 21.197 -16.082 2.102 1.00 0.00 C ATOM 476 CD ARG A 32 22.708 -15.833 2.061 1.00 0.00 C ATOM 477 NE ARG A 32 23.310 -16.328 3.336 1.00 0.00 N ATOM 478 CZ ARG A 32 24.537 -16.073 3.610 1.00 0.00 C ATOM 479 NH1 ARG A 32 24.836 -14.907 4.061 1.00 0.00 N ATOM 480 NH2 ARG A 32 25.422 -16.997 3.441 1.00 0.00 N ATOM 0 H ARG A 32 19.216 -19.757 3.579 1.00 0.00 H new ATOM 0 HA ARG A 32 18.972 -17.167 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.747 -18.163 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 32 21.017 -17.762 0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 32 20.689 -15.470 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.790 -15.804 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.153 -16.347 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.912 -14.770 1.934 1.00 0.00 H new ATOM 0 HE ARG A 32 22.744 -16.870 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.105 -14.209 4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.805 -14.680 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 32 25.142 -17.914 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 32 26.402 -16.810 3.654 1.00 0.00 H new ATOM 494 N PRO A 33 17.713 -18.415 0.794 1.00 0.00 N ATOM 495 CA PRO A 33 16.942 -19.141 -0.247 1.00 0.00 C ATOM 496 C PRO A 33 17.599 -19.082 -1.650 1.00 0.00 C ATOM 497 O PRO A 33 18.618 -18.447 -1.841 1.00 0.00 O ATOM 498 CB PRO A 33 15.583 -18.398 -0.294 1.00 0.00 C ATOM 499 CG PRO A 33 15.726 -17.108 0.574 1.00 0.00 C ATOM 500 CD PRO A 33 17.101 -17.166 1.264 1.00 0.00 C ATOM 0 HA PRO A 33 16.873 -20.200 -0.000 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.320 -18.143 -1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.785 -19.033 0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.646 -16.216 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.928 -17.053 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 33 17.712 -16.303 0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 33 16.998 -17.162 2.349 1.00 0.00 H new ATOM 508 N ARG A 34 16.982 -19.767 -2.601 1.00 0.00 N ATOM 509 CA ARG A 34 17.525 -19.783 -4.006 1.00 0.00 C ATOM 510 C ARG A 34 16.802 -18.713 -4.843 1.00 0.00 C ATOM 511 O ARG A 34 16.643 -18.821 -6.049 1.00 0.00 O ATOM 512 CB ARG A 34 17.268 -21.178 -4.615 1.00 0.00 C ATOM 513 CG ARG A 34 15.778 -21.534 -4.484 1.00 0.00 C ATOM 514 CD ARG A 34 15.603 -22.588 -3.387 1.00 0.00 C ATOM 515 NE ARG A 34 14.141 -22.818 -3.172 1.00 0.00 N ATOM 516 CZ ARG A 34 13.719 -23.996 -2.886 1.00 0.00 C ATOM 517 NH1 ARG A 34 13.755 -24.384 -1.668 1.00 0.00 N ATOM 518 NH2 ARG A 34 13.276 -24.737 -3.828 1.00 0.00 N ATOM 0 H ARG A 34 16.131 -20.312 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 34 18.594 -19.571 -4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.563 -21.187 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.877 -21.925 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.199 -20.642 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.398 -21.914 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.094 -23.518 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.073 -22.253 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 34 13.483 -22.043 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.114 -23.761 -0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.424 -25.316 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.262 -24.389 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.936 -25.676 -3.621 1.00 0.00 H new ATOM 532 N PHE A 35 16.390 -17.711 -4.143 1.00 0.00 N ATOM 533 CA PHE A 35 15.666 -16.558 -4.744 1.00 0.00 C ATOM 534 C PHE A 35 16.530 -15.813 -5.786 1.00 0.00 C ATOM 535 O PHE A 35 17.259 -14.898 -5.456 1.00 0.00 O ATOM 536 CB PHE A 35 15.383 -15.645 -3.537 1.00 0.00 C ATOM 537 CG PHE A 35 14.442 -14.499 -3.873 1.00 0.00 C ATOM 538 CD1 PHE A 35 14.781 -13.564 -4.822 1.00 0.00 C ATOM 539 CD2 PHE A 35 13.289 -14.312 -3.132 1.00 0.00 C ATOM 540 CE1 PHE A 35 14.005 -12.466 -5.023 1.00 0.00 C ATOM 541 CE2 PHE A 35 12.508 -13.203 -3.338 1.00 0.00 C ATOM 542 CZ PHE A 35 12.870 -12.279 -4.281 1.00 0.00 C ATOM 0 H PHE A 35 16.528 -17.634 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 35 14.769 -16.871 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.952 -16.239 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.324 -15.239 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 35 15.673 -13.703 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.003 -15.041 -2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.285 -11.739 -5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.609 -13.059 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.260 -11.402 -4.440 1.00 0.00 H new ATOM 552 N SER A 36 16.460 -16.251 -7.025 1.00 0.00 N ATOM 553 CA SER A 36 17.276 -15.563 -8.084 1.00 0.00 C ATOM 554 C SER A 36 16.911 -15.901 -9.575 1.00 0.00 C ATOM 555 O SER A 36 17.708 -15.635 -10.457 1.00 0.00 O ATOM 556 CB SER A 36 18.750 -15.931 -7.850 1.00 0.00 C ATOM 557 OG SER A 36 19.287 -14.798 -7.179 1.00 0.00 O ATOM 0 H SER A 36 15.889 -17.034 -7.344 1.00 0.00 H new ATOM 0 HA SER A 36 17.062 -14.500 -7.977 1.00 0.00 H new ATOM 0 HB2 SER A 36 18.845 -16.834 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 36 19.268 -16.120 -8.790 1.00 0.00 H new ATOM 0 HG SER A 36 18.663 -14.504 -6.483 1.00 0.00 H new ATOM 563 N PRO A 37 15.741 -16.488 -9.849 1.00 0.00 N ATOM 564 CA PRO A 37 15.369 -16.814 -11.241 1.00 0.00 C ATOM 565 C PRO A 37 15.088 -15.548 -12.073 1.00 0.00 C ATOM 566 O PRO A 37 15.224 -14.437 -11.597 1.00 0.00 O ATOM 567 CB PRO A 37 14.062 -17.619 -11.110 1.00 0.00 C ATOM 568 CG PRO A 37 13.576 -17.450 -9.645 1.00 0.00 C ATOM 569 CD PRO A 37 14.757 -16.904 -8.842 1.00 0.00 C ATOM 0 HA PRO A 37 16.173 -17.351 -11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.311 -17.254 -11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 37 14.231 -18.670 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.728 -16.767 -9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.241 -18.404 -9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.454 -16.065 -8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.169 -17.665 -8.179 1.00 0.00 H new ATOM 577 N ALA A 38 14.689 -15.758 -13.305 1.00 0.00 N ATOM 578 CA ALA A 38 14.384 -14.603 -14.205 1.00 0.00 C ATOM 579 C ALA A 38 12.876 -14.345 -14.256 1.00 0.00 C ATOM 580 O ALA A 38 12.410 -13.436 -14.913 1.00 0.00 O ATOM 581 CB ALA A 38 14.863 -14.964 -15.614 1.00 0.00 C ATOM 0 H ALA A 38 14.562 -16.679 -13.725 1.00 0.00 H new ATOM 0 HA ALA A 38 14.883 -13.709 -13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 38 14.653 -14.137 -16.293 1.00 0.00 H new ATOM 0 HB2 ALA A 38 15.936 -15.154 -15.596 1.00 0.00 H new ATOM 0 HB3 ALA A 38 14.342 -15.857 -15.958 1.00 0.00 H new ATOM 587 N THR A 39 12.147 -15.165 -13.555 1.00 0.00 N ATOM 588 CA THR A 39 10.670 -15.018 -13.524 1.00 0.00 C ATOM 589 C THR A 39 10.241 -13.886 -12.586 1.00 0.00 C ATOM 590 O THR A 39 9.088 -13.792 -12.208 1.00 0.00 O ATOM 591 CB THR A 39 10.070 -16.343 -13.016 1.00 0.00 C ATOM 592 OG1 THR A 39 8.669 -16.199 -13.141 1.00 0.00 O ATOM 593 CG2 THR A 39 10.307 -16.515 -11.505 1.00 0.00 C ATOM 0 H THR A 39 12.515 -15.936 -12.998 1.00 0.00 H new ATOM 0 HA THR A 39 10.316 -14.779 -14.527 1.00 0.00 H new ATOM 0 HB THR A 39 10.508 -17.175 -13.568 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.389 -15.355 -12.729 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.873 -17.458 -11.174 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.378 -16.517 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.838 -15.691 -10.967 1.00 0.00 H new ATOM 601 N HIS A 40 11.176 -13.057 -12.224 1.00 0.00 N ATOM 602 CA HIS A 40 10.848 -11.923 -11.310 1.00 0.00 C ATOM 603 C HIS A 40 10.507 -10.646 -12.119 1.00 0.00 C ATOM 604 O HIS A 40 11.202 -10.302 -13.054 1.00 0.00 O ATOM 605 CB HIS A 40 12.096 -11.640 -10.448 1.00 0.00 C ATOM 606 CG HIS A 40 12.268 -12.713 -9.379 1.00 0.00 C ATOM 607 ND1 HIS A 40 11.336 -13.530 -8.802 1.00 0.00 N flip ATOM 608 CD2 HIS A 40 13.353 -13.015 -8.836 1.00 0.00 C flip ATOM 609 CE1 HIS A 40 11.933 -14.328 -7.886 1.00 0.00 C flip ATOM 610 NE2 HIS A 40 13.195 -13.937 -7.974 1.00 0.00 N flip ATOM 0 H HIS A 40 12.151 -13.112 -12.518 1.00 0.00 H new ATOM 0 HA HIS A 40 9.986 -12.187 -10.697 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.982 -11.606 -11.082 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.004 -10.662 -9.977 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.341 -13.537 -9.028 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.301 -12.553 -9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.495 -15.084 -7.251 1.00 0.00 H new ATOM 618 N PRO A 41 9.429 -9.971 -11.732 1.00 0.00 N ATOM 619 CA PRO A 41 8.999 -8.742 -12.415 1.00 0.00 C ATOM 620 C PRO A 41 10.041 -7.629 -12.260 1.00 0.00 C ATOM 621 O PRO A 41 10.467 -7.031 -13.228 1.00 0.00 O ATOM 622 CB PRO A 41 7.691 -8.335 -11.703 1.00 0.00 C ATOM 623 CG PRO A 41 7.448 -9.352 -10.550 1.00 0.00 C ATOM 624 CD PRO A 41 8.575 -10.396 -10.612 1.00 0.00 C ATOM 0 HA PRO A 41 8.869 -8.903 -13.485 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.768 -7.321 -11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.855 -8.343 -12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.447 -8.845 -9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.475 -9.831 -10.659 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.136 -10.427 -9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.177 -11.397 -10.778 1.00 0.00 H new ATOM 632 N SER A 42 10.413 -7.357 -11.035 1.00 0.00 N ATOM 633 CA SER A 42 11.426 -6.287 -10.788 1.00 0.00 C ATOM 634 C SER A 42 12.642 -6.882 -10.085 1.00 0.00 C ATOM 635 O SER A 42 12.780 -6.771 -8.879 1.00 0.00 O ATOM 636 CB SER A 42 10.802 -5.205 -9.880 1.00 0.00 C ATOM 637 OG SER A 42 9.559 -4.891 -10.498 1.00 0.00 O ATOM 0 H SER A 42 10.062 -7.826 -10.200 1.00 0.00 H new ATOM 0 HA SER A 42 11.733 -5.851 -11.739 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.658 -5.574 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.444 -4.327 -9.811 1.00 0.00 H new ATOM 0 HG SER A 42 9.097 -4.204 -9.973 1.00 0.00 H new ATOM 643 N GLU A 43 13.505 -7.499 -10.850 1.00 0.00 N ATOM 644 CA GLU A 43 14.713 -8.108 -10.234 1.00 0.00 C ATOM 645 C GLU A 43 15.818 -7.082 -9.965 1.00 0.00 C ATOM 646 O GLU A 43 16.306 -6.418 -10.858 1.00 0.00 O ATOM 647 CB GLU A 43 15.250 -9.223 -11.162 1.00 0.00 C ATOM 648 CG GLU A 43 15.364 -8.712 -12.604 1.00 0.00 C ATOM 649 CD GLU A 43 16.404 -9.553 -13.355 1.00 0.00 C ATOM 650 OE1 GLU A 43 16.009 -10.604 -13.836 1.00 0.00 O ATOM 651 OE2 GLU A 43 17.535 -9.096 -13.400 1.00 0.00 O ATOM 0 H GLU A 43 13.425 -7.605 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 43 14.419 -8.521 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.226 -9.559 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.585 -10.086 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.397 -8.777 -13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.656 -7.662 -12.609 1.00 0.00 H new ATOM 658 N GLY A 44 16.177 -6.979 -8.709 1.00 0.00 N ATOM 659 CA GLY A 44 17.250 -6.015 -8.301 1.00 0.00 C ATOM 660 C GLY A 44 18.177 -6.678 -7.288 1.00 0.00 C ATOM 661 O GLY A 44 18.866 -6.022 -6.546 1.00 0.00 O ATOM 0 H GLY A 44 15.773 -7.522 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.818 -5.697 -9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.803 -5.120 -7.868 1.00 0.00 H new ATOM 665 N LEU A 45 18.151 -7.979 -7.277 1.00 0.00 N ATOM 666 CA LEU A 45 19.004 -8.737 -6.342 1.00 0.00 C ATOM 667 C LEU A 45 20.451 -8.719 -6.834 1.00 0.00 C ATOM 668 O LEU A 45 20.797 -9.436 -7.754 1.00 0.00 O ATOM 669 CB LEU A 45 18.489 -10.176 -6.326 1.00 0.00 C ATOM 670 CG LEU A 45 17.171 -10.280 -5.513 1.00 0.00 C ATOM 671 CD1 LEU A 45 17.325 -11.416 -4.540 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.890 -8.999 -4.714 1.00 0.00 C ATOM 0 H LEU A 45 17.566 -8.551 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 45 18.971 -8.298 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.320 -10.518 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.243 -10.832 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 45 16.344 -10.437 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.413 -11.517 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 17.508 -12.341 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.166 -11.215 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.959 -9.113 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.708 -8.818 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.803 -8.155 -5.398 1.00 0.00 H new ATOM 684 N GLU A 46 21.270 -7.896 -6.220 1.00 0.00 N ATOM 685 CA GLU A 46 22.683 -7.823 -6.645 1.00 0.00 C ATOM 686 C GLU A 46 23.673 -8.191 -5.514 1.00 0.00 C ATOM 687 O GLU A 46 24.016 -7.379 -4.698 1.00 0.00 O ATOM 688 CB GLU A 46 22.941 -6.372 -7.144 1.00 0.00 C ATOM 689 CG GLU A 46 23.036 -5.393 -5.956 1.00 0.00 C ATOM 690 CD GLU A 46 22.912 -3.932 -6.464 1.00 0.00 C ATOM 691 OE1 GLU A 46 22.172 -3.744 -7.419 1.00 0.00 O ATOM 692 OE2 GLU A 46 23.564 -3.088 -5.862 1.00 0.00 O ATOM 0 H GLU A 46 21.012 -7.280 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 46 22.854 -8.554 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.865 -6.340 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.136 -6.064 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.246 -5.605 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 46 23.985 -5.528 -5.438 1.00 0.00 H new ATOM 699 N GLU A 47 24.095 -9.437 -5.500 1.00 0.00 N ATOM 700 CA GLU A 47 25.068 -9.912 -4.442 1.00 0.00 C ATOM 701 C GLU A 47 24.484 -9.905 -3.017 1.00 0.00 C ATOM 702 O GLU A 47 24.872 -10.703 -2.193 1.00 0.00 O ATOM 703 CB GLU A 47 26.309 -8.991 -4.474 1.00 0.00 C ATOM 704 CG GLU A 47 27.047 -9.187 -5.809 1.00 0.00 C ATOM 705 CD GLU A 47 28.429 -8.529 -5.737 1.00 0.00 C ATOM 706 OE1 GLU A 47 29.320 -9.200 -5.242 1.00 0.00 O ATOM 707 OE2 GLU A 47 28.516 -7.399 -6.185 1.00 0.00 O ATOM 0 H GLU A 47 23.811 -10.150 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 47 25.316 -10.947 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 47 26.007 -7.950 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 47 26.972 -9.224 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.151 -10.250 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.468 -8.751 -6.623 1.00 0.00 H new ATOM 714 N ASN A 48 23.588 -9.001 -2.767 1.00 0.00 N ATOM 715 CA ASN A 48 22.947 -8.898 -1.410 1.00 0.00 C ATOM 716 C ASN A 48 22.056 -7.674 -1.425 1.00 0.00 C ATOM 717 O ASN A 48 22.534 -6.596 -1.196 1.00 0.00 O ATOM 718 CB ASN A 48 24.068 -8.691 -0.341 1.00 0.00 C ATOM 719 CG ASN A 48 24.939 -7.495 -0.706 1.00 0.00 C ATOM 720 OD1 ASN A 48 25.307 -7.299 -1.840 1.00 0.00 O ATOM 721 ND2 ASN A 48 25.301 -6.679 0.234 1.00 0.00 N ATOM 0 H ASN A 48 23.260 -8.314 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 48 22.376 -9.796 -1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.619 -8.536 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.683 -9.588 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 48 25.893 -5.878 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.994 -6.838 1.194 1.00 0.00 H new ATOM 728 N TYR A 49 20.765 -7.842 -1.663 1.00 0.00 N ATOM 729 CA TYR A 49 19.908 -6.640 -1.686 1.00 0.00 C ATOM 730 C TYR A 49 18.450 -6.842 -1.327 1.00 0.00 C ATOM 731 O TYR A 49 18.059 -7.807 -0.726 1.00 0.00 O ATOM 732 CB TYR A 49 19.897 -6.249 -3.158 1.00 0.00 C ATOM 733 CG TYR A 49 20.540 -4.875 -3.372 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.415 -4.341 -2.443 1.00 0.00 C ATOM 735 CD2 TYR A 49 20.276 -4.165 -4.518 1.00 0.00 C ATOM 736 CE1 TYR A 49 22.007 -3.120 -2.670 1.00 0.00 C ATOM 737 CE2 TYR A 49 20.869 -2.943 -4.737 1.00 0.00 C ATOM 738 CZ TYR A 49 21.738 -2.414 -3.819 1.00 0.00 C ATOM 739 OH TYR A 49 22.346 -1.206 -4.059 1.00 0.00 O ATOM 0 H TYR A 49 20.298 -8.733 -1.834 1.00 0.00 H new ATOM 0 HA TYR A 49 20.306 -5.934 -0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.433 -6.999 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.871 -6.234 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.634 -4.885 -1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 49 19.597 -4.570 -5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.689 -2.712 -1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 49 20.647 -2.395 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 49 23.017 -1.312 -4.765 1.00 0.00 H new ATOM 749 N CYS A 50 17.684 -5.836 -1.727 1.00 0.00 N ATOM 750 CA CYS A 50 16.230 -5.821 -1.491 1.00 0.00 C ATOM 751 C CYS A 50 15.535 -5.193 -2.692 1.00 0.00 C ATOM 752 O CYS A 50 16.083 -4.316 -3.342 1.00 0.00 O ATOM 753 CB CYS A 50 15.872 -4.929 -0.322 1.00 0.00 C ATOM 754 SG CYS A 50 16.813 -5.030 1.210 1.00 0.00 S ATOM 0 H CYS A 50 18.037 -5.015 -2.218 1.00 0.00 H new ATOM 0 HA CYS A 50 15.924 -6.851 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 50 15.931 -3.898 -0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.828 -5.122 -0.075 1.00 0.00 H new ATOM 759 N ARG A 51 14.347 -5.627 -2.950 1.00 0.00 N ATOM 760 CA ARG A 51 13.592 -5.048 -4.123 1.00 0.00 C ATOM 761 C ARG A 51 12.186 -5.642 -4.189 1.00 0.00 C ATOM 762 O ARG A 51 11.545 -5.795 -3.176 1.00 0.00 O ATOM 763 CB ARG A 51 14.379 -5.360 -5.440 1.00 0.00 C ATOM 764 CG ARG A 51 13.871 -4.478 -6.629 1.00 0.00 C ATOM 765 CD ARG A 51 13.393 -3.107 -6.128 1.00 0.00 C ATOM 766 NE ARG A 51 12.022 -3.245 -5.546 1.00 0.00 N ATOM 767 CZ ARG A 51 11.585 -2.361 -4.712 1.00 0.00 C ATOM 768 NH1 ARG A 51 12.103 -1.182 -4.726 1.00 0.00 N ATOM 769 NH2 ARG A 51 10.641 -2.691 -3.901 1.00 0.00 N ATOM 0 H ARG A 51 13.855 -6.346 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 51 13.501 -3.968 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.443 -5.182 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.266 -6.414 -5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.672 -4.345 -7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.055 -4.987 -7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.082 -2.721 -5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.382 -2.390 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 51 11.433 -4.036 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.846 -0.959 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.770 -0.471 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.254 -3.634 -3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.280 -2.009 -3.234 1.00 0.00 H new ATOM 783 N ASN A 52 11.713 -5.946 -5.366 1.00 0.00 N ATOM 784 CA ASN A 52 10.358 -6.525 -5.453 1.00 0.00 C ATOM 785 C ASN A 52 10.284 -7.687 -6.477 1.00 0.00 C ATOM 786 O ASN A 52 9.340 -7.784 -7.233 1.00 0.00 O ATOM 787 CB ASN A 52 9.368 -5.420 -5.884 1.00 0.00 C ATOM 788 CG ASN A 52 8.482 -5.043 -4.705 1.00 0.00 C ATOM 789 OD1 ASN A 52 8.953 -4.788 -3.621 1.00 0.00 O ATOM 790 ND2 ASN A 52 7.201 -4.984 -4.876 1.00 0.00 N ATOM 0 H ASN A 52 12.201 -5.819 -6.253 1.00 0.00 H new ATOM 0 HA ASN A 52 10.102 -6.924 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.914 -4.545 -6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.756 -5.770 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.594 -4.723 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.798 -5.198 -5.788 1.00 0.00 H new ATOM 797 N PRO A 53 11.290 -8.556 -6.476 1.00 0.00 N ATOM 798 CA PRO A 53 11.323 -9.688 -7.392 1.00 0.00 C ATOM 799 C PRO A 53 10.188 -10.623 -7.035 1.00 0.00 C ATOM 800 O PRO A 53 9.607 -11.260 -7.877 1.00 0.00 O ATOM 801 CB PRO A 53 12.685 -10.368 -7.130 1.00 0.00 C ATOM 802 CG PRO A 53 13.462 -9.425 -6.169 1.00 0.00 C ATOM 803 CD PRO A 53 12.418 -8.486 -5.569 1.00 0.00 C ATOM 0 HA PRO A 53 11.213 -9.404 -8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.549 -11.353 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.233 -10.513 -8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.970 -9.994 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.228 -8.865 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.137 -8.799 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.800 -7.468 -5.491 1.00 0.00 H new ATOM 811 N ASP A 54 9.911 -10.686 -5.766 1.00 0.00 N ATOM 812 CA ASP A 54 8.814 -11.565 -5.295 1.00 0.00 C ATOM 813 C ASP A 54 7.475 -10.850 -5.504 1.00 0.00 C ATOM 814 O ASP A 54 6.428 -11.465 -5.511 1.00 0.00 O ATOM 815 CB ASP A 54 9.022 -11.845 -3.795 1.00 0.00 C ATOM 816 CG ASP A 54 7.833 -12.648 -3.258 1.00 0.00 C ATOM 817 OD1 ASP A 54 7.730 -13.792 -3.660 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.096 -12.068 -2.481 1.00 0.00 O ATOM 0 H ASP A 54 10.398 -10.166 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 54 8.813 -12.503 -5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.948 -12.399 -3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.118 -10.907 -3.248 1.00 0.00 H new ATOM 823 N ASN A 55 7.558 -9.544 -5.679 1.00 0.00 N ATOM 824 CA ASN A 55 6.329 -8.717 -5.896 1.00 0.00 C ATOM 825 C ASN A 55 5.613 -8.389 -4.579 1.00 0.00 C ATOM 826 O ASN A 55 4.560 -8.924 -4.285 1.00 0.00 O ATOM 827 CB ASN A 55 5.374 -9.491 -6.822 1.00 0.00 C ATOM 828 CG ASN A 55 4.544 -8.498 -7.615 1.00 0.00 C ATOM 829 OD1 ASN A 55 4.814 -8.227 -8.763 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.530 -7.932 -7.046 1.00 0.00 N ATOM 0 H ASN A 55 8.432 -9.018 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 55 6.628 -7.771 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.941 -10.132 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.725 -10.141 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.963 -7.261 -7.565 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.297 -8.156 -6.079 1.00 0.00 H new ATOM 837 N ASP A 56 6.193 -7.484 -3.832 1.00 0.00 N ATOM 838 CA ASP A 56 5.572 -7.094 -2.529 1.00 0.00 C ATOM 839 C ASP A 56 5.233 -5.581 -2.523 1.00 0.00 C ATOM 840 O ASP A 56 6.103 -4.740 -2.444 1.00 0.00 O ATOM 841 CB ASP A 56 6.569 -7.413 -1.393 1.00 0.00 C ATOM 842 CG ASP A 56 5.801 -7.982 -0.207 1.00 0.00 C ATOM 843 OD1 ASP A 56 4.796 -7.382 0.120 1.00 0.00 O ATOM 844 OD2 ASP A 56 6.258 -8.986 0.302 1.00 0.00 O ATOM 0 H ASP A 56 7.061 -7.002 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 56 4.647 -7.652 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.316 -8.129 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.105 -6.511 -1.097 1.00 0.00 H new ATOM 849 N PRO A 57 3.950 -5.280 -2.604 1.00 0.00 N ATOM 850 CA PRO A 57 3.461 -3.884 -2.614 1.00 0.00 C ATOM 851 C PRO A 57 3.760 -3.089 -1.326 1.00 0.00 C ATOM 852 O PRO A 57 4.047 -1.907 -1.393 1.00 0.00 O ATOM 853 CB PRO A 57 1.928 -4.013 -2.781 1.00 0.00 C ATOM 854 CG PRO A 57 1.581 -5.532 -2.786 1.00 0.00 C ATOM 855 CD PRO A 57 2.901 -6.310 -2.692 1.00 0.00 C ATOM 0 HA PRO A 57 3.965 -3.331 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.410 -3.505 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.603 -3.543 -3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.930 -5.779 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.043 -5.799 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.913 -6.961 -1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.046 -6.946 -3.565 1.00 0.00 H new ATOM 863 N GLN A 58 3.691 -3.727 -0.187 1.00 0.00 N ATOM 864 CA GLN A 58 3.973 -2.980 1.074 1.00 0.00 C ATOM 865 C GLN A 58 5.439 -2.533 1.198 1.00 0.00 C ATOM 866 O GLN A 58 5.724 -1.527 1.824 1.00 0.00 O ATOM 867 CB GLN A 58 3.595 -3.865 2.281 1.00 0.00 C ATOM 868 CG GLN A 58 4.400 -5.166 2.260 1.00 0.00 C ATOM 869 CD GLN A 58 3.676 -6.217 3.114 1.00 0.00 C ATOM 870 OE1 GLN A 58 3.464 -7.395 2.622 1.00 0.00 O flip ATOM 871 NE2 GLN A 58 3.300 -5.969 4.240 1.00 0.00 N flip ATOM 0 H GLN A 58 3.456 -4.713 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 58 3.370 -2.072 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.786 -3.326 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.529 -4.089 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.510 -5.524 1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.404 -4.993 2.647 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.461 -5.044 4.639 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.823 -6.685 4.788 1.00 0.00 H new ATOM 880 N GLY A 59 6.347 -3.266 0.615 1.00 0.00 N ATOM 881 CA GLY A 59 7.782 -2.840 0.729 1.00 0.00 C ATOM 882 C GLY A 59 8.721 -3.847 0.075 1.00 0.00 C ATOM 883 O GLY A 59 8.385 -4.997 -0.097 1.00 0.00 O ATOM 0 H GLY A 59 6.173 -4.116 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.911 -1.864 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.046 -2.726 1.780 1.00 0.00 H new ATOM 887 N PRO A 60 9.900 -3.378 -0.294 1.00 0.00 N ATOM 888 CA PRO A 60 10.883 -4.236 -0.925 1.00 0.00 C ATOM 889 C PRO A 60 11.385 -5.258 0.068 1.00 0.00 C ATOM 890 O PRO A 60 12.077 -4.925 1.024 1.00 0.00 O ATOM 891 CB PRO A 60 12.039 -3.312 -1.327 1.00 0.00 C ATOM 892 CG PRO A 60 11.681 -1.892 -0.829 1.00 0.00 C ATOM 893 CD PRO A 60 10.313 -1.982 -0.119 1.00 0.00 C ATOM 0 HA PRO A 60 10.464 -4.769 -1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.975 -3.651 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.178 -3.317 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.445 -1.521 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.635 -1.193 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.396 -1.722 0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.590 -1.296 -0.561 1.00 0.00 H new ATOM 901 N TRP A 61 11.027 -6.470 -0.176 1.00 0.00 N ATOM 902 CA TRP A 61 11.459 -7.567 0.729 1.00 0.00 C ATOM 903 C TRP A 61 12.985 -7.653 0.786 1.00 0.00 C ATOM 904 O TRP A 61 13.701 -6.955 0.060 1.00 0.00 O ATOM 905 CB TRP A 61 10.989 -8.891 0.131 1.00 0.00 C ATOM 906 CG TRP A 61 11.970 -9.168 -0.983 1.00 0.00 C ATOM 907 CD1 TRP A 61 12.218 -8.291 -1.909 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.765 -10.206 -1.083 1.00 0.00 C ATOM 909 NE1 TRP A 61 13.240 -8.825 -2.599 1.00 0.00 N ATOM 910 CE2 TRP A 61 13.625 -10.047 -2.147 1.00 0.00 C ATOM 911 CE3 TRP A 61 12.829 -11.345 -0.324 1.00 0.00 C ATOM 912 CZ2 TRP A 61 14.523 -11.017 -2.470 1.00 0.00 C ATOM 913 CZ3 TRP A 61 13.742 -12.336 -0.646 1.00 0.00 C ATOM 914 CH2 TRP A 61 14.588 -12.168 -1.724 1.00 0.00 C ATOM 0 H TRP A 61 10.450 -6.760 -0.966 1.00 0.00 H new ATOM 0 HA TRP A 61 11.048 -7.376 1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 61 10.996 -9.688 0.875 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.969 -8.817 -0.247 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.718 -7.350 -2.084 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.685 -8.357 -3.388 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.170 -11.470 0.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 15.184 -10.882 -3.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.792 -13.238 -0.055 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.299 -12.940 -1.980 1.00 0.00 H new ATOM 925 N CYS A 62 13.432 -8.545 1.616 1.00 0.00 N ATOM 926 CA CYS A 62 14.885 -8.770 1.801 1.00 0.00 C ATOM 927 C CYS A 62 15.077 -9.836 2.857 1.00 0.00 C ATOM 928 O CYS A 62 14.510 -9.742 3.918 1.00 0.00 O ATOM 929 CB CYS A 62 15.517 -7.478 2.293 1.00 0.00 C ATOM 930 SG CYS A 62 17.316 -7.318 2.157 1.00 0.00 S ATOM 0 H CYS A 62 12.835 -9.142 2.188 1.00 0.00 H new ATOM 0 HA CYS A 62 15.343 -9.081 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 62 15.064 -6.652 1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.247 -7.350 3.341 1.00 0.00 H new ATOM 935 N TYR A 63 15.857 -10.831 2.567 1.00 0.00 N ATOM 936 CA TYR A 63 16.054 -11.883 3.590 1.00 0.00 C ATOM 937 C TYR A 63 17.294 -11.618 4.436 1.00 0.00 C ATOM 938 O TYR A 63 18.092 -10.742 4.143 1.00 0.00 O ATOM 939 CB TYR A 63 16.174 -13.251 2.902 1.00 0.00 C ATOM 940 CG TYR A 63 14.783 -13.897 2.775 1.00 0.00 C ATOM 941 CD1 TYR A 63 13.711 -13.177 2.295 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.587 -15.214 3.147 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.460 -13.764 2.188 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.340 -15.798 3.040 1.00 0.00 C ATOM 945 CZ TYR A 63 12.270 -15.079 2.563 1.00 0.00 C ATOM 946 OH TYR A 63 11.023 -15.663 2.474 1.00 0.00 O ATOM 0 H TYR A 63 16.356 -10.961 1.687 1.00 0.00 H new ATOM 0 HA TYR A 63 15.190 -11.876 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.621 -13.133 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 63 16.835 -13.900 3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.846 -12.147 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.417 -15.792 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.628 -13.189 1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.204 -16.828 3.334 1.00 0.00 H new ATOM 0 HH TYR A 63 11.111 -16.636 2.555 1.00 0.00 H new ATOM 956 N THR A 64 17.424 -12.388 5.470 1.00 0.00 N ATOM 957 CA THR A 64 18.583 -12.232 6.372 1.00 0.00 C ATOM 958 C THR A 64 19.437 -13.476 6.413 1.00 0.00 C ATOM 959 O THR A 64 18.990 -14.556 6.105 1.00 0.00 O ATOM 960 CB THR A 64 18.047 -12.016 7.762 1.00 0.00 C ATOM 961 OG1 THR A 64 17.133 -13.067 7.946 1.00 0.00 O ATOM 962 CG2 THR A 64 17.186 -10.752 7.846 1.00 0.00 C ATOM 0 H THR A 64 16.770 -13.126 5.730 1.00 0.00 H new ATOM 0 HA THR A 64 19.191 -11.401 6.013 1.00 0.00 H new ATOM 0 HB THR A 64 18.872 -11.952 8.472 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.606 -13.857 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 64 16.817 -10.630 8.864 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.786 -9.884 7.571 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.342 -10.841 7.163 1.00 0.00 H new ATOM 970 N THR A 65 20.646 -13.300 6.822 1.00 0.00 N ATOM 971 CA THR A 65 21.588 -14.449 6.906 1.00 0.00 C ATOM 972 C THR A 65 21.110 -15.547 7.874 1.00 0.00 C ATOM 973 O THR A 65 21.725 -16.594 7.953 1.00 0.00 O ATOM 974 CB THR A 65 22.915 -13.895 7.424 1.00 0.00 C ATOM 975 OG1 THR A 65 22.560 -13.089 8.528 1.00 0.00 O ATOM 976 CG2 THR A 65 23.530 -12.903 6.428 1.00 0.00 C ATOM 0 H THR A 65 21.036 -12.402 7.107 1.00 0.00 H new ATOM 0 HA THR A 65 21.669 -14.905 5.919 1.00 0.00 H new ATOM 0 HB THR A 65 23.605 -14.715 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.368 -12.696 8.919 1.00 0.00 H new ATOM 0 HG21 THR A 65 24.473 -12.526 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.711 -13.406 5.478 1.00 0.00 H new ATOM 0 HG23 THR A 65 22.844 -12.071 6.273 1.00 0.00 H new ATOM 984 N ASP A 66 20.027 -15.306 8.579 1.00 0.00 N ATOM 985 CA ASP A 66 19.538 -16.352 9.532 1.00 0.00 C ATOM 986 C ASP A 66 18.056 -16.744 9.311 1.00 0.00 C ATOM 987 O ASP A 66 17.237 -15.938 8.929 1.00 0.00 O ATOM 988 CB ASP A 66 19.702 -15.794 10.950 1.00 0.00 C ATOM 989 CG ASP A 66 21.028 -16.292 11.526 1.00 0.00 C ATOM 990 OD1 ASP A 66 22.038 -15.897 10.962 1.00 0.00 O ATOM 991 OD2 ASP A 66 20.957 -17.040 12.489 1.00 0.00 O ATOM 0 H ASP A 66 19.473 -14.451 8.537 1.00 0.00 H new ATOM 0 HA ASP A 66 20.123 -17.257 9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.684 -14.704 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.873 -16.115 11.580 1.00 0.00 H new ATOM 996 N PRO A 67 17.775 -18.011 9.590 1.00 0.00 N ATOM 997 CA PRO A 67 16.425 -18.603 9.450 1.00 0.00 C ATOM 998 C PRO A 67 15.354 -17.872 10.273 1.00 0.00 C ATOM 999 O PRO A 67 14.212 -17.800 9.863 1.00 0.00 O ATOM 1000 CB PRO A 67 16.578 -20.050 9.971 1.00 0.00 C ATOM 1001 CG PRO A 67 18.059 -20.228 10.422 1.00 0.00 C ATOM 1002 CD PRO A 67 18.803 -18.931 10.062 1.00 0.00 C ATOM 0 HA PRO A 67 16.090 -18.538 8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.899 -20.232 10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.325 -20.768 9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.115 -20.419 11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.513 -21.084 9.922 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.326 -18.525 10.928 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.553 -19.110 9.292 1.00 0.00 H new ATOM 1010 N GLU A 68 15.722 -17.368 11.418 1.00 0.00 N ATOM 1011 CA GLU A 68 14.708 -16.648 12.246 1.00 0.00 C ATOM 1012 C GLU A 68 14.361 -15.315 11.581 1.00 0.00 C ATOM 1013 O GLU A 68 13.280 -15.129 11.052 1.00 0.00 O ATOM 1014 CB GLU A 68 15.316 -16.371 13.639 1.00 0.00 C ATOM 1015 CG GLU A 68 15.537 -17.701 14.378 1.00 0.00 C ATOM 1016 CD GLU A 68 15.464 -17.463 15.889 1.00 0.00 C ATOM 1017 OE1 GLU A 68 14.375 -17.141 16.329 1.00 0.00 O ATOM 1018 OE2 GLU A 68 16.502 -17.617 16.518 1.00 0.00 O ATOM 0 H GLU A 68 16.661 -17.420 11.813 1.00 0.00 H new ATOM 0 HA GLU A 68 13.807 -17.254 12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.262 -15.839 13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.651 -15.729 14.216 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.782 -18.427 14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.507 -18.121 14.112 1.00 0.00 H new ATOM 1025 N LYS A 69 15.304 -14.426 11.617 1.00 0.00 N ATOM 1026 CA LYS A 69 15.112 -13.082 11.008 1.00 0.00 C ATOM 1027 C LYS A 69 15.061 -13.184 9.491 1.00 0.00 C ATOM 1028 O LYS A 69 14.933 -12.191 8.816 1.00 0.00 O ATOM 1029 CB LYS A 69 16.346 -12.246 11.382 1.00 0.00 C ATOM 1030 CG LYS A 69 17.631 -13.011 10.961 1.00 0.00 C ATOM 1031 CD LYS A 69 18.817 -12.479 11.790 1.00 0.00 C ATOM 1032 CE LYS A 69 19.818 -11.773 10.871 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.138 -10.684 10.101 1.00 0.00 N ATOM 0 H LYS A 69 16.216 -14.573 12.049 1.00 0.00 H new ATOM 0 HA LYS A 69 14.181 -12.641 11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.307 -11.277 10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.358 -12.054 12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.505 -14.081 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.822 -12.873 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.458 -11.787 12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.306 -13.302 12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.633 -11.355 11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.260 -12.493 10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.458 -10.706 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.108 -10.826 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.374 -9.762 10.521 1.00 0.00 H new ATOM 1047 N ARG A 70 15.174 -14.409 9.021 1.00 0.00 N ATOM 1048 CA ARG A 70 15.153 -14.737 7.547 1.00 0.00 C ATOM 1049 C ARG A 70 14.645 -13.649 6.605 1.00 0.00 C ATOM 1050 O ARG A 70 15.090 -13.596 5.485 1.00 0.00 O ATOM 1051 CB ARG A 70 14.304 -15.992 7.345 1.00 0.00 C ATOM 1052 CG ARG A 70 12.839 -15.615 7.085 1.00 0.00 C ATOM 1053 CD ARG A 70 12.193 -16.734 6.269 1.00 0.00 C ATOM 1054 NE ARG A 70 11.195 -16.129 5.329 1.00 0.00 N ATOM 1055 CZ ARG A 70 9.941 -16.195 5.593 1.00 0.00 C ATOM 1056 NH1 ARG A 70 9.570 -16.323 6.820 1.00 0.00 N ATOM 1057 NH2 ARG A 70 9.110 -16.118 4.615 1.00 0.00 N ATOM 0 H ARG A 70 15.284 -15.227 9.620 1.00 0.00 H new ATOM 0 HA ARG A 70 16.201 -14.868 7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.692 -16.569 6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.371 -16.629 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.309 -15.478 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.780 -14.669 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.953 -17.282 5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.704 -17.450 6.930 1.00 0.00 H new ATOM 0 HE ARG A 70 11.513 -15.664 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.269 -16.370 7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.578 -16.377 7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.454 -16.008 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.107 -16.167 4.793 1.00 0.00 H new ATOM 1071 N TYR A 71 13.734 -12.813 7.018 1.00 0.00 N ATOM 1072 CA TYR A 71 13.285 -11.788 6.057 1.00 0.00 C ATOM 1073 C TYR A 71 12.384 -10.700 6.622 1.00 0.00 C ATOM 1074 O TYR A 71 11.934 -10.727 7.750 1.00 0.00 O ATOM 1075 CB TYR A 71 12.532 -12.495 4.907 1.00 0.00 C ATOM 1076 CG TYR A 71 11.038 -12.655 5.248 1.00 0.00 C ATOM 1077 CD1 TYR A 71 10.633 -13.146 6.475 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.077 -12.325 4.316 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.291 -13.305 6.760 1.00 0.00 C ATOM 1080 CE2 TYR A 71 8.734 -12.485 4.604 1.00 0.00 C ATOM 1081 CZ TYR A 71 8.334 -12.977 5.826 1.00 0.00 C ATOM 1082 OH TYR A 71 6.996 -13.155 6.104 1.00 0.00 O ATOM 0 H TYR A 71 13.300 -12.797 7.941 1.00 0.00 H new ATOM 0 HA TYR A 71 14.191 -11.277 5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 71 12.640 -11.920 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 71 12.975 -13.474 4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.372 -13.408 7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 71 10.376 -11.938 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.990 -13.690 7.723 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.993 -12.222 3.864 1.00 0.00 H new ATOM 0 HH TYR A 71 6.461 -12.871 5.334 1.00 0.00 H new ATOM 1092 N ASP A 72 12.169 -9.782 5.743 1.00 0.00 N ATOM 1093 CA ASP A 72 11.332 -8.581 5.974 1.00 0.00 C ATOM 1094 C ASP A 72 11.643 -7.623 4.822 1.00 0.00 C ATOM 1095 O ASP A 72 12.374 -7.986 3.918 1.00 0.00 O ATOM 1096 CB ASP A 72 11.699 -7.912 7.327 1.00 0.00 C ATOM 1097 CG ASP A 72 10.419 -7.622 8.116 1.00 0.00 C ATOM 1098 OD1 ASP A 72 9.650 -6.811 7.627 1.00 0.00 O ATOM 1099 OD2 ASP A 72 10.291 -8.210 9.173 1.00 0.00 O ATOM 0 H ASP A 72 12.568 -9.817 4.805 1.00 0.00 H new ATOM 0 HA ASP A 72 10.274 -8.841 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.354 -8.566 7.903 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.248 -6.987 7.151 1.00 0.00 H new ATOM 1104 N TYR A 73 11.108 -6.449 4.838 1.00 0.00 N ATOM 1105 CA TYR A 73 11.419 -5.520 3.704 1.00 0.00 C ATOM 1106 C TYR A 73 12.767 -4.897 3.885 1.00 0.00 C ATOM 1107 O TYR A 73 13.644 -5.508 4.423 1.00 0.00 O ATOM 1108 CB TYR A 73 10.327 -4.455 3.650 1.00 0.00 C ATOM 1109 CG TYR A 73 9.052 -5.222 3.509 1.00 0.00 C ATOM 1110 CD1 TYR A 73 8.843 -5.979 2.384 1.00 0.00 C ATOM 1111 CD2 TYR A 73 8.162 -5.304 4.548 1.00 0.00 C ATOM 1112 CE1 TYR A 73 7.775 -6.813 2.302 1.00 0.00 C ATOM 1113 CE2 TYR A 73 7.090 -6.143 4.460 1.00 0.00 C ATOM 1114 CZ TYR A 73 6.895 -6.903 3.336 1.00 0.00 C ATOM 1115 OH TYR A 73 5.835 -7.769 3.271 1.00 0.00 O ATOM 0 H TYR A 73 10.484 -6.086 5.559 1.00 0.00 H new ATOM 0 HA TYR A 73 11.443 -6.072 2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.324 -3.845 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.476 -3.778 2.809 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.534 -5.911 1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.309 -4.705 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.623 -7.407 1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.391 -6.209 5.281 1.00 0.00 H new ATOM 0 HH TYR A 73 5.433 -7.728 2.378 1.00 0.00 H new ATOM 1125 N CYS A 74 12.932 -3.724 3.385 1.00 0.00 N ATOM 1126 CA CYS A 74 14.256 -3.046 3.537 1.00 0.00 C ATOM 1127 C CYS A 74 14.099 -1.685 4.167 1.00 0.00 C ATOM 1128 O CYS A 74 13.071 -1.049 4.033 1.00 0.00 O ATOM 1129 CB CYS A 74 14.873 -2.854 2.165 1.00 0.00 C ATOM 1130 SG CYS A 74 16.658 -3.165 1.991 1.00 0.00 S ATOM 0 H CYS A 74 12.222 -3.195 2.878 1.00 0.00 H new ATOM 0 HA CYS A 74 14.886 -3.668 4.173 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.349 -3.507 1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 74 14.679 -1.829 1.850 1.00 0.00 H new ATOM 1135 N ASP A 75 15.126 -1.253 4.830 1.00 0.00 N ATOM 1136 CA ASP A 75 15.071 0.063 5.478 1.00 0.00 C ATOM 1137 C ASP A 75 15.342 1.163 4.437 1.00 0.00 C ATOM 1138 O ASP A 75 16.179 2.019 4.615 1.00 0.00 O ATOM 1139 CB ASP A 75 16.138 0.089 6.597 1.00 0.00 C ATOM 1140 CG ASP A 75 16.111 1.450 7.292 1.00 0.00 C ATOM 1141 OD1 ASP A 75 15.023 1.830 7.689 1.00 0.00 O ATOM 1142 OD2 ASP A 75 17.184 2.029 7.389 1.00 0.00 O ATOM 0 H ASP A 75 16.002 -1.762 4.948 1.00 0.00 H new ATOM 0 HA ASP A 75 14.086 0.243 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.943 -0.704 7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.126 -0.098 6.177 1.00 0.00 H new ATOM 1147 N ILE A 76 14.615 1.095 3.350 1.00 0.00 N ATOM 1148 CA ILE A 76 14.786 2.102 2.272 1.00 0.00 C ATOM 1149 C ILE A 76 13.872 3.304 2.538 1.00 0.00 C ATOM 1150 O ILE A 76 12.924 3.204 3.295 1.00 0.00 O ATOM 1151 CB ILE A 76 14.392 1.435 0.936 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.611 0.788 0.272 1.00 0.00 C ATOM 1153 CG2 ILE A 76 13.841 2.496 -0.032 1.00 0.00 C ATOM 1154 CD1 ILE A 76 15.136 -0.401 -0.541 1.00 0.00 C ATOM 0 H ILE A 76 13.910 0.381 3.167 1.00 0.00 H new ATOM 0 HA ILE A 76 15.818 2.450 2.235 1.00 0.00 H new ATOM 0 HB ILE A 76 13.640 0.676 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 76 16.120 1.507 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 76 16.330 0.469 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.564 2.021 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.963 2.969 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.605 3.251 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.990 -0.877 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.644 -1.118 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.432 -0.064 -1.301 1.00 0.00 H new ATOM 1166 N LEU A 77 14.175 4.414 1.914 1.00 0.00 N ATOM 1167 CA LEU A 77 13.337 5.632 2.116 1.00 0.00 C ATOM 1168 C LEU A 77 11.894 5.397 1.654 1.00 0.00 C ATOM 1169 O LEU A 77 11.447 4.269 1.546 1.00 0.00 O ATOM 1170 CB LEU A 77 13.955 6.782 1.285 1.00 0.00 C ATOM 1171 CG LEU A 77 14.530 7.854 2.223 1.00 0.00 C ATOM 1172 CD1 LEU A 77 13.388 8.548 2.977 1.00 0.00 C ATOM 1173 CD2 LEU A 77 15.477 7.192 3.228 1.00 0.00 C ATOM 0 H LEU A 77 14.963 4.528 1.276 1.00 0.00 H new ATOM 0 HA LEU A 77 13.315 5.879 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.741 6.393 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.197 7.222 0.637 1.00 0.00 H new ATOM 0 HG LEU A 77 15.076 8.594 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.800 9.308 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.713 9.018 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.839 7.812 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.887 7.950 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.929 6.453 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.290 6.701 2.693 1.00 0.00 H new