USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 89 ASN : amide:sc= -0.178 K(o=-0.37,f=-2) USER MOD Set 1.2: A 90 ASN : amide:sc= -0.196 K(o=-0.37,f=-6.3!) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.395 (180deg=-1.52!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00502 USER MOD Single : A 22 CYS SG : rot 112:sc= 0.878 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.949 X(o=-0.95,f=-1) USER MOD Single : A 32 SER OG : rot -92:sc= 0.349 USER MOD Single : A 34 CYS SG : rot 180:sc=-0.00467 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0284 (180deg=-0.139) USER MOD Single : A 37 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.5) USER MOD Single : A 38 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.28) USER MOD Single : A 41 GLN : amide:sc=-0.00995 X(o=-0.01,f=-0.01) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 160:sc= -1.57! USER MOD Single : A 54 SER OG : rot -45:sc= 0.277 USER MOD Single : A 63 SER OG : rot 180:sc= -0.109 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= -0.0147 (180deg=-0.138) USER MOD Single : A 77 THR OG1 : rot 180:sc=0.000728 USER MOD Single : A 78 MET CE :methyl -107:sc= -0.54 (180deg=-2.12!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= 1.02 (180deg=0.501) USER MOD Single : A 88 SER OG : rot -4:sc= -0.282 USER MOD Single : A 93 MET CE :methyl -116:sc= -1.88 (180deg=-3.37!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 10.794 -3.331 3.398 1.00 0.00 N ATOM 84 CA PHE A 11 10.425 -3.344 1.957 1.00 0.00 C ATOM 85 C PHE A 11 8.995 -2.812 1.717 1.00 0.00 C ATOM 86 O PHE A 11 8.662 -2.375 0.616 1.00 0.00 O ATOM 87 CB PHE A 11 10.525 -4.776 1.367 1.00 0.00 C ATOM 88 CG PHE A 11 11.922 -5.399 1.406 1.00 0.00 C ATOM 89 CD1 PHE A 11 12.964 -4.848 0.664 1.00 0.00 C ATOM 90 CD2 PHE A 11 12.189 -6.542 2.161 1.00 0.00 C ATOM 91 CE1 PHE A 11 14.224 -5.409 0.680 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.453 -7.103 2.179 1.00 0.00 C ATOM 93 CZ PHE A 11 14.471 -6.539 1.437 1.00 0.00 C ATOM 0 HA PHE A 11 11.134 -2.685 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.840 -5.425 1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.185 -4.750 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.782 -3.967 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.397 -6.995 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.019 -4.965 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 11 13.644 -7.984 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 11 15.457 -6.979 1.448 1.00 0.00 H new ATOM 103 N VAL A 12 8.164 -2.882 2.754 1.00 0.00 N ATOM 104 CA VAL A 12 6.764 -2.473 2.700 1.00 0.00 C ATOM 105 C VAL A 12 6.620 -1.013 3.167 1.00 0.00 C ATOM 106 O VAL A 12 7.196 -0.627 4.187 1.00 0.00 O ATOM 107 CB VAL A 12 5.914 -3.423 3.611 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.429 -3.009 3.627 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.107 -4.904 3.178 1.00 0.00 C ATOM 0 H VAL A 12 8.449 -3.230 3.669 1.00 0.00 H new ATOM 0 HA VAL A 12 6.404 -2.542 1.673 1.00 0.00 H new ATOM 0 HB VAL A 12 6.272 -3.329 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.869 -3.689 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.339 -1.992 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.028 -3.052 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.510 -5.552 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.787 -5.025 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.159 -5.175 3.267 1.00 0.00 H new ATOM 119 N VAL A 13 5.861 -0.208 2.409 1.00 0.00 N ATOM 120 CA VAL A 13 5.432 1.141 2.833 1.00 0.00 C ATOM 121 C VAL A 13 3.946 1.118 3.232 1.00 0.00 C ATOM 122 O VAL A 13 3.209 0.189 2.875 1.00 0.00 O ATOM 123 CB VAL A 13 5.667 2.214 1.699 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.171 2.379 1.403 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.877 1.870 0.408 1.00 0.00 C ATOM 0 H VAL A 13 5.525 -0.471 1.483 1.00 0.00 H new ATOM 0 HA VAL A 13 6.039 1.427 3.692 1.00 0.00 H new ATOM 0 HB VAL A 13 5.286 3.167 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.308 3.123 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.686 2.705 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.584 1.425 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.065 2.632 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.199 0.899 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.811 1.837 0.632 1.00 0.00 H new ATOM 135 N LYS A 14 3.512 2.157 3.960 1.00 0.00 N ATOM 136 CA LYS A 14 2.102 2.341 4.335 1.00 0.00 C ATOM 137 C LYS A 14 1.564 3.501 3.507 1.00 0.00 C ATOM 138 O LYS A 14 2.146 4.572 3.495 1.00 0.00 O ATOM 139 CB LYS A 14 1.906 2.640 5.845 1.00 0.00 C ATOM 140 CG LYS A 14 0.418 2.869 6.235 1.00 0.00 C ATOM 141 CD LYS A 14 0.188 3.288 7.706 1.00 0.00 C ATOM 142 CE LYS A 14 0.436 2.163 8.734 1.00 0.00 C ATOM 143 NZ LYS A 14 1.878 1.854 8.938 1.00 0.00 N ATOM 0 H LYS A 14 4.128 2.893 4.305 1.00 0.00 H new ATOM 0 HA LYS A 14 1.565 1.413 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.304 1.810 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.485 3.524 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.001 3.637 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.138 1.952 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.843 4.128 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.837 3.643 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.005 2.450 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.078 1.260 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.044 1.615 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.148 1.048 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.450 2.683 8.681 1.00 0.00 H new ATOM 157 N VAL A 15 0.461 3.270 2.824 1.00 0.00 N ATOM 158 CA VAL A 15 -0.145 4.224 1.902 1.00 0.00 C ATOM 159 C VAL A 15 -1.556 4.557 2.395 1.00 0.00 C ATOM 160 O VAL A 15 -2.254 3.680 2.871 1.00 0.00 O ATOM 161 CB VAL A 15 -0.182 3.605 0.453 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.923 4.507 -0.554 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.250 3.293 -0.046 1.00 0.00 C ATOM 0 H VAL A 15 -0.056 2.393 2.893 1.00 0.00 H new ATOM 0 HA VAL A 15 0.441 5.142 1.864 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.743 2.673 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.920 4.035 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.952 4.652 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.422 5.473 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.201 2.867 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.835 4.212 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.723 2.580 0.629 1.00 0.00 H new ATOM 173 N ARG A 16 -1.942 5.836 2.291 1.00 0.00 N ATOM 174 CA ARG A 16 -3.304 6.319 2.612 1.00 0.00 C ATOM 175 C ARG A 16 -3.653 7.491 1.694 1.00 0.00 C ATOM 176 O ARG A 16 -2.786 8.037 1.016 1.00 0.00 O ATOM 177 CB ARG A 16 -3.462 6.729 4.106 1.00 0.00 C ATOM 178 CG ARG A 16 -2.432 7.750 4.620 1.00 0.00 C ATOM 179 CD ARG A 16 -2.788 8.335 6.005 1.00 0.00 C ATOM 180 NE ARG A 16 -3.841 9.361 5.929 1.00 0.00 N ATOM 181 CZ ARG A 16 -4.405 9.979 6.978 1.00 0.00 C ATOM 182 NH1 ARG A 16 -4.145 9.605 8.226 1.00 0.00 N ATOM 183 NH2 ARG A 16 -5.254 10.968 6.760 1.00 0.00 N ATOM 0 H ARG A 16 -1.315 6.577 1.979 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.996 5.494 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.461 7.142 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.397 5.831 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.454 7.272 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.348 8.564 3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.116 7.530 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.894 8.769 6.454 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.170 9.624 5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.504 8.832 8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.587 10.091 9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.472 11.252 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.691 11.448 7.547 1.00 0.00 H new ATOM 197 N GLY A 17 -4.941 7.864 1.679 1.00 0.00 N ATOM 198 CA GLY A 17 -5.449 8.884 0.751 1.00 0.00 C ATOM 199 C GLY A 17 -5.781 8.277 -0.606 1.00 0.00 C ATOM 200 O GLY A 17 -5.868 8.982 -1.615 1.00 0.00 O ATOM 0 H GLY A 17 -5.650 7.474 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.340 9.351 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.705 9.671 0.628 1.00 0.00 H new ATOM 204 N LEU A 18 -5.940 6.937 -0.609 1.00 0.00 N ATOM 205 CA LEU A 18 -6.380 6.170 -1.777 1.00 0.00 C ATOM 206 C LEU A 18 -7.849 6.507 -2.115 1.00 0.00 C ATOM 207 O LEU A 18 -8.593 6.946 -1.228 1.00 0.00 O ATOM 208 CB LEU A 18 -6.228 4.645 -1.487 1.00 0.00 C ATOM 209 CG LEU A 18 -4.768 4.132 -1.284 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.751 2.649 -0.860 1.00 0.00 C ATOM 211 CD2 LEU A 18 -3.920 4.367 -2.555 1.00 0.00 C ATOM 0 H LEU A 18 -5.763 6.358 0.212 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.760 6.434 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.804 4.406 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.676 4.091 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.319 4.707 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.720 2.321 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.294 2.533 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.227 2.044 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.907 4.001 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.366 3.832 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.889 5.433 -2.780 1.00 0.00 H new ATOM 223 N PRO A 19 -8.292 6.327 -3.400 1.00 0.00 N ATOM 224 CA PRO A 19 -9.724 6.404 -3.756 1.00 0.00 C ATOM 225 C PRO A 19 -10.542 5.311 -3.027 1.00 0.00 C ATOM 226 O PRO A 19 -10.016 4.247 -2.683 1.00 0.00 O ATOM 227 CB PRO A 19 -9.733 6.195 -5.299 1.00 0.00 C ATOM 228 CG PRO A 19 -8.432 5.510 -5.604 1.00 0.00 C ATOM 229 CD PRO A 19 -7.443 6.054 -4.601 1.00 0.00 C ATOM 0 HA PRO A 19 -10.184 7.347 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.582 5.587 -5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.812 7.146 -5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.528 4.428 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.110 5.717 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.654 5.334 -4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.957 6.959 -4.965 1.00 0.00 H new ATOM 237 N TRP A 20 -11.822 5.611 -2.797 1.00 0.00 N ATOM 238 CA TRP A 20 -12.807 4.691 -2.183 1.00 0.00 C ATOM 239 C TRP A 20 -12.921 3.357 -2.960 1.00 0.00 C ATOM 240 O TRP A 20 -13.184 2.304 -2.370 1.00 0.00 O ATOM 241 CB TRP A 20 -14.189 5.409 -2.106 1.00 0.00 C ATOM 242 CG TRP A 20 -14.652 6.016 -3.428 1.00 0.00 C ATOM 243 CD1 TRP A 20 -15.423 5.427 -4.399 1.00 0.00 C ATOM 244 CD2 TRP A 20 -14.352 7.336 -3.909 1.00 0.00 C ATOM 245 NE1 TRP A 20 -15.595 6.293 -5.451 1.00 0.00 N ATOM 246 CE2 TRP A 20 -14.956 7.472 -5.168 1.00 0.00 C ATOM 247 CE3 TRP A 20 -13.632 8.418 -3.385 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -14.848 8.638 -5.920 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -13.528 9.574 -4.129 1.00 0.00 C ATOM 250 CH2 TRP A 20 -14.137 9.679 -5.385 1.00 0.00 C ATOM 0 H TRP A 20 -12.221 6.519 -3.035 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.466 4.437 -1.180 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.938 4.695 -1.764 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.135 6.198 -1.356 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -15.834 4.430 -4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -16.115 6.091 -6.305 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -13.166 8.347 -2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -15.310 8.719 -6.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -12.969 10.411 -3.737 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -14.044 10.599 -5.943 1.00 0.00 H new ATOM 261 N SER A 21 -12.698 3.435 -4.283 1.00 0.00 N ATOM 262 CA SER A 21 -12.802 2.298 -5.216 1.00 0.00 C ATOM 263 C SER A 21 -11.405 1.777 -5.634 1.00 0.00 C ATOM 264 O SER A 21 -11.271 1.165 -6.707 1.00 0.00 O ATOM 265 CB SER A 21 -13.613 2.762 -6.449 1.00 0.00 C ATOM 266 OG SER A 21 -13.095 3.975 -6.983 1.00 0.00 O ATOM 0 H SER A 21 -12.435 4.306 -4.743 1.00 0.00 H new ATOM 0 HA SER A 21 -13.309 1.467 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.590 1.986 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.657 2.902 -6.168 1.00 0.00 H new ATOM 0 HG SER A 21 -13.626 4.243 -7.762 1.00 0.00 H new ATOM 272 N CYS A 22 -10.384 2.003 -4.765 1.00 0.00 N ATOM 273 CA CYS A 22 -8.966 1.647 -5.023 1.00 0.00 C ATOM 274 C CYS A 22 -8.786 0.174 -5.440 1.00 0.00 C ATOM 275 O CYS A 22 -9.102 -0.742 -4.675 1.00 0.00 O ATOM 276 CB CYS A 22 -8.120 1.940 -3.759 1.00 0.00 C ATOM 277 SG CYS A 22 -8.719 1.110 -2.265 1.00 0.00 S ATOM 0 H CYS A 22 -10.526 2.443 -3.856 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.627 2.259 -5.859 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.090 1.634 -3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.107 3.016 -3.584 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.859 0.208 -1.895 1.00 0.00 H new ATOM 283 N SER A 23 -8.277 -0.021 -6.658 1.00 0.00 N ATOM 284 CA SER A 23 -7.940 -1.335 -7.202 1.00 0.00 C ATOM 285 C SER A 23 -6.421 -1.488 -7.154 1.00 0.00 C ATOM 286 O SER A 23 -5.699 -0.479 -7.205 1.00 0.00 O ATOM 287 CB SER A 23 -8.439 -1.443 -8.658 1.00 0.00 C ATOM 288 OG SER A 23 -8.142 -2.702 -9.222 1.00 0.00 O ATOM 0 H SER A 23 -8.085 0.744 -7.304 1.00 0.00 H new ATOM 0 HA SER A 23 -8.416 -2.123 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.516 -1.277 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.980 -0.658 -9.259 1.00 0.00 H new ATOM 0 HG SER A 23 -8.474 -2.734 -10.143 1.00 0.00 H new ATOM 294 N ALA A 24 -5.938 -2.735 -7.049 1.00 0.00 N ATOM 295 CA ALA A 24 -4.494 -3.032 -7.093 1.00 0.00 C ATOM 296 C ALA A 24 -3.862 -2.511 -8.400 1.00 0.00 C ATOM 297 O ALA A 24 -2.761 -1.971 -8.376 1.00 0.00 O ATOM 298 CB ALA A 24 -4.246 -4.535 -6.893 1.00 0.00 C ATOM 0 H ALA A 24 -6.528 -3.559 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.006 -2.507 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.175 -4.735 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.641 -4.843 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.746 -5.095 -7.684 1.00 0.00 H new ATOM 304 N ASP A 25 -4.594 -2.658 -9.526 1.00 0.00 N ATOM 305 CA ASP A 25 -4.245 -2.051 -10.839 1.00 0.00 C ATOM 306 C ASP A 25 -3.922 -0.544 -10.732 1.00 0.00 C ATOM 307 O ASP A 25 -2.914 -0.081 -11.275 1.00 0.00 O ATOM 308 CB ASP A 25 -5.416 -2.269 -11.845 1.00 0.00 C ATOM 309 CG ASP A 25 -5.255 -1.494 -13.176 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.357 -1.833 -13.972 1.00 0.00 O ATOM 311 OD2 ASP A 25 -6.010 -0.524 -13.420 1.00 0.00 O ATOM 0 H ASP A 25 -5.454 -3.206 -9.554 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.343 -2.548 -11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.500 -3.333 -12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.350 -1.967 -11.371 1.00 0.00 H new ATOM 316 N GLU A 26 -4.795 0.204 -10.026 1.00 0.00 N ATOM 317 CA GLU A 26 -4.657 1.666 -9.858 1.00 0.00 C ATOM 318 C GLU A 26 -3.399 2.018 -9.045 1.00 0.00 C ATOM 319 O GLU A 26 -2.701 2.980 -9.370 1.00 0.00 O ATOM 320 CB GLU A 26 -5.912 2.268 -9.180 1.00 0.00 C ATOM 321 CG GLU A 26 -7.225 2.082 -9.960 1.00 0.00 C ATOM 322 CD GLU A 26 -8.385 2.861 -9.324 1.00 0.00 C ATOM 323 OE1 GLU A 26 -8.972 2.375 -8.337 1.00 0.00 O ATOM 324 OE2 GLU A 26 -8.693 3.971 -9.790 1.00 0.00 O ATOM 0 H GLU A 26 -5.613 -0.187 -9.558 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.556 2.100 -10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.026 1.817 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.747 3.334 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.086 2.414 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.477 1.022 -9.998 1.00 0.00 H new ATOM 331 N VAL A 27 -3.122 1.213 -8.001 1.00 0.00 N ATOM 332 CA VAL A 27 -1.944 1.392 -7.125 1.00 0.00 C ATOM 333 C VAL A 27 -0.650 1.077 -7.906 1.00 0.00 C ATOM 334 O VAL A 27 0.380 1.730 -7.710 1.00 0.00 O ATOM 335 CB VAL A 27 -2.040 0.480 -5.843 1.00 0.00 C ATOM 336 CG1 VAL A 27 -0.831 0.682 -4.890 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.372 0.712 -5.087 1.00 0.00 C ATOM 0 H VAL A 27 -3.708 0.420 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.922 2.431 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.016 -0.553 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.940 0.033 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.091 0.433 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.794 1.722 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.408 0.069 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.437 1.755 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.209 0.476 -5.744 1.00 0.00 H new ATOM 347 N GLN A 28 -0.744 0.086 -8.821 1.00 0.00 N ATOM 348 CA GLN A 28 0.366 -0.326 -9.700 1.00 0.00 C ATOM 349 C GLN A 28 0.748 0.796 -10.663 1.00 0.00 C ATOM 350 O GLN A 28 1.923 1.117 -10.793 1.00 0.00 O ATOM 351 CB GLN A 28 0.009 -1.608 -10.499 1.00 0.00 C ATOM 352 CG GLN A 28 -0.053 -2.887 -9.653 1.00 0.00 C ATOM 353 CD GLN A 28 -0.452 -4.128 -10.446 1.00 0.00 C ATOM 354 OE1 GLN A 28 -1.210 -4.054 -11.408 1.00 0.00 O ATOM 355 NE2 GLN A 28 0.069 -5.277 -10.056 1.00 0.00 N ATOM 0 H GLN A 28 -1.598 -0.451 -8.969 1.00 0.00 H new ATOM 0 HA GLN A 28 1.220 -0.545 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.956 -1.461 -10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.747 -1.746 -11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.922 -3.057 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.765 -2.741 -8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.696 -5.306 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.156 -6.136 -10.559 1.00 0.00 H new ATOM 364 N ARG A 29 -0.256 1.368 -11.345 1.00 0.00 N ATOM 365 CA ARG A 29 -0.038 2.451 -12.318 1.00 0.00 C ATOM 366 C ARG A 29 0.431 3.741 -11.605 1.00 0.00 C ATOM 367 O ARG A 29 1.288 4.464 -12.124 1.00 0.00 O ATOM 368 CB ARG A 29 -1.333 2.677 -13.171 1.00 0.00 C ATOM 369 CG ARG A 29 -1.078 3.006 -14.669 1.00 0.00 C ATOM 370 CD ARG A 29 -0.345 4.339 -14.896 1.00 0.00 C ATOM 371 NE ARG A 29 0.129 4.514 -16.280 1.00 0.00 N ATOM 372 CZ ARG A 29 1.022 5.440 -16.666 1.00 0.00 C ATOM 373 NH1 ARG A 29 1.549 6.288 -15.780 1.00 0.00 N ATOM 374 NH2 ARG A 29 1.395 5.515 -17.932 1.00 0.00 N ATOM 0 H ARG A 29 -1.234 1.097 -11.240 1.00 0.00 H new ATOM 0 HA ARG A 29 0.759 2.163 -13.004 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.952 1.782 -13.110 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.906 3.491 -12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.494 2.201 -15.114 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.033 3.034 -15.193 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.013 5.161 -14.641 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.506 4.398 -14.217 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.247 3.889 -16.994 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.274 6.237 -14.799 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.226 6.987 -16.084 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.004 4.869 -18.618 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.073 6.219 -18.223 1.00 0.00 H new ATOM 388 N PHE A 30 -0.111 4.013 -10.406 1.00 0.00 N ATOM 389 CA PHE A 30 0.285 5.176 -9.590 1.00 0.00 C ATOM 390 C PHE A 30 1.765 5.074 -9.157 1.00 0.00 C ATOM 391 O PHE A 30 2.507 6.055 -9.210 1.00 0.00 O ATOM 392 CB PHE A 30 -0.646 5.269 -8.357 1.00 0.00 C ATOM 393 CG PHE A 30 -0.266 6.364 -7.359 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.405 7.708 -7.691 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.250 6.049 -6.103 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.045 8.696 -6.803 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.605 7.039 -5.218 1.00 0.00 C ATOM 398 CZ PHE A 30 0.461 8.360 -5.567 1.00 0.00 C ATOM 0 H PHE A 30 -0.833 3.436 -9.975 1.00 0.00 H new ATOM 0 HA PHE A 30 0.185 6.082 -10.187 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.666 5.445 -8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.644 4.308 -7.842 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.801 7.980 -8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.372 5.014 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.159 9.735 -7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.998 6.778 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.745 9.136 -4.871 1.00 0.00 H new ATOM 408 N PHE A 31 2.166 3.872 -8.725 1.00 0.00 N ATOM 409 CA PHE A 31 3.561 3.558 -8.362 1.00 0.00 C ATOM 410 C PHE A 31 4.258 2.818 -9.525 1.00 0.00 C ATOM 411 O PHE A 31 5.076 1.943 -9.279 1.00 0.00 O ATOM 412 CB PHE A 31 3.606 2.690 -7.061 1.00 0.00 C ATOM 413 CG PHE A 31 3.222 3.397 -5.757 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.021 4.422 -5.233 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.094 3.011 -5.030 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.696 5.037 -4.035 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.768 3.628 -3.837 1.00 0.00 C ATOM 418 CZ PHE A 31 2.569 4.640 -3.336 1.00 0.00 C ATOM 0 H PHE A 31 1.530 3.082 -8.615 1.00 0.00 H new ATOM 0 HA PHE A 31 4.090 4.492 -8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.941 1.837 -7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.615 2.293 -6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.903 4.737 -5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.466 2.217 -5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.322 5.826 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.886 3.320 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.315 5.119 -2.402 1.00 0.00 H new ATOM 428 N SER A 32 3.938 3.170 -10.798 1.00 0.00 N ATOM 429 CA SER A 32 4.587 2.545 -11.991 1.00 0.00 C ATOM 430 C SER A 32 6.114 2.779 -12.014 1.00 0.00 C ATOM 431 O SER A 32 6.868 2.005 -12.621 1.00 0.00 O ATOM 432 CB SER A 32 3.924 3.055 -13.292 1.00 0.00 C ATOM 433 OG SER A 32 3.956 4.472 -13.381 1.00 0.00 O ATOM 0 H SER A 32 3.240 3.878 -11.028 1.00 0.00 H new ATOM 0 HA SER A 32 4.437 1.468 -11.921 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.436 2.625 -14.153 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.890 2.712 -13.332 1.00 0.00 H new ATOM 0 HG SER A 32 3.134 4.843 -12.997 1.00 0.00 H new ATOM 439 N ASP A 33 6.551 3.858 -11.347 1.00 0.00 N ATOM 440 CA ASP A 33 7.970 4.140 -11.078 1.00 0.00 C ATOM 441 C ASP A 33 8.556 3.106 -10.083 1.00 0.00 C ATOM 442 O ASP A 33 9.634 2.556 -10.307 1.00 0.00 O ATOM 443 CB ASP A 33 8.104 5.578 -10.517 1.00 0.00 C ATOM 444 CG ASP A 33 9.531 5.925 -10.042 1.00 0.00 C ATOM 445 OD1 ASP A 33 10.395 6.230 -10.894 1.00 0.00 O ATOM 446 OD2 ASP A 33 9.787 5.893 -8.815 1.00 0.00 O ATOM 0 H ASP A 33 5.921 4.568 -10.974 1.00 0.00 H new ATOM 0 HA ASP A 33 8.535 4.062 -12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.803 6.289 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.413 5.700 -9.683 1.00 0.00 H new ATOM 451 N CYS A 34 7.827 2.866 -8.986 1.00 0.00 N ATOM 452 CA CYS A 34 8.263 1.952 -7.918 1.00 0.00 C ATOM 453 C CYS A 34 7.996 0.486 -8.321 1.00 0.00 C ATOM 454 O CYS A 34 6.903 0.132 -8.769 1.00 0.00 O ATOM 455 CB CYS A 34 7.536 2.323 -6.608 1.00 0.00 C ATOM 456 SG CYS A 34 7.786 4.049 -6.118 1.00 0.00 S ATOM 0 H CYS A 34 6.920 3.298 -8.812 1.00 0.00 H new ATOM 0 HA CYS A 34 9.337 2.053 -7.760 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.469 2.137 -6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.886 1.671 -5.808 1.00 0.00 H new ATOM 0 HG CYS A 34 7.144 4.284 -5.012 1.00 0.00 H new ATOM 462 N LYS A 35 9.019 -0.357 -8.169 1.00 0.00 N ATOM 463 CA LYS A 35 8.923 -1.792 -8.452 1.00 0.00 C ATOM 464 C LYS A 35 8.216 -2.487 -7.282 1.00 0.00 C ATOM 465 O LYS A 35 8.848 -2.843 -6.282 1.00 0.00 O ATOM 466 CB LYS A 35 10.333 -2.397 -8.698 1.00 0.00 C ATOM 467 CG LYS A 35 11.084 -1.792 -9.901 1.00 0.00 C ATOM 468 CD LYS A 35 10.433 -2.134 -11.257 1.00 0.00 C ATOM 469 CE LYS A 35 10.478 -3.634 -11.581 1.00 0.00 C ATOM 470 NZ LYS A 35 11.876 -4.164 -11.621 1.00 0.00 N ATOM 0 H LYS A 35 9.941 -0.064 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 35 8.340 -1.947 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.936 -2.258 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.232 -3.472 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.125 -0.709 -9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.113 -2.152 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.395 -1.800 -11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.941 -1.581 -12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.905 -4.182 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.997 -3.810 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.870 -5.130 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.461 -3.554 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.270 -4.177 -10.659 1.00 0.00 H new ATOM 484 N ILE A 36 6.888 -2.591 -7.396 1.00 0.00 N ATOM 485 CA ILE A 36 6.052 -3.273 -6.411 1.00 0.00 C ATOM 486 C ILE A 36 6.334 -4.783 -6.493 1.00 0.00 C ATOM 487 O ILE A 36 6.019 -5.420 -7.509 1.00 0.00 O ATOM 488 CB ILE A 36 4.525 -2.979 -6.650 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.259 -1.437 -6.698 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.654 -3.661 -5.570 1.00 0.00 C ATOM 491 CD1 ILE A 36 2.802 -1.038 -6.927 1.00 0.00 C ATOM 0 H ILE A 36 6.363 -2.201 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 36 6.295 -2.902 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 36 4.245 -3.400 -7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.597 -0.996 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.867 -1.003 -7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.603 -3.442 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.812 -4.739 -5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.933 -3.284 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.721 0.049 -6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.459 -1.443 -7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.185 -1.435 -6.121 1.00 0.00 H new ATOM 503 N GLN A 37 6.972 -5.322 -5.437 1.00 0.00 N ATOM 504 CA GLN A 37 7.335 -6.744 -5.350 1.00 0.00 C ATOM 505 C GLN A 37 6.074 -7.621 -5.351 1.00 0.00 C ATOM 506 O GLN A 37 5.089 -7.297 -4.681 1.00 0.00 O ATOM 507 CB GLN A 37 8.191 -7.020 -4.088 1.00 0.00 C ATOM 508 CG GLN A 37 8.544 -8.503 -3.849 1.00 0.00 C ATOM 509 CD GLN A 37 9.536 -8.695 -2.709 1.00 0.00 C ATOM 510 OE1 GLN A 37 9.156 -8.858 -1.553 1.00 0.00 O ATOM 511 NE2 GLN A 37 10.816 -8.683 -3.021 1.00 0.00 N ATOM 0 H GLN A 37 7.250 -4.780 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 37 7.933 -6.997 -6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.117 -6.450 -4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.656 -6.645 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.632 -9.058 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.961 -8.925 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.103 -8.546 -3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.519 -8.811 -2.294 1.00 0.00 H new ATOM 520 N ASN A 38 6.127 -8.690 -6.165 1.00 0.00 N ATOM 521 CA ASN A 38 5.019 -9.649 -6.360 1.00 0.00 C ATOM 522 C ASN A 38 3.783 -8.988 -7.039 1.00 0.00 C ATOM 523 O ASN A 38 2.718 -9.603 -7.128 1.00 0.00 O ATOM 524 CB ASN A 38 4.656 -10.354 -4.999 1.00 0.00 C ATOM 525 CG ASN A 38 4.626 -11.880 -5.093 1.00 0.00 C ATOM 526 OD1 ASN A 38 4.257 -12.443 -6.122 1.00 0.00 O ATOM 527 ND2 ASN A 38 5.042 -12.557 -4.034 1.00 0.00 N ATOM 0 H ASN A 38 6.954 -8.918 -6.717 1.00 0.00 H new ATOM 0 HA ASN A 38 5.358 -10.421 -7.051 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.381 -10.059 -4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.682 -9.999 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.063 -13.577 -4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.342 -12.059 -3.196 1.00 0.00 H new ATOM 534 N GLY A 39 3.967 -7.742 -7.534 1.00 0.00 N ATOM 535 CA GLY A 39 2.916 -6.976 -8.206 1.00 0.00 C ATOM 536 C GLY A 39 1.711 -6.719 -7.310 1.00 0.00 C ATOM 537 O GLY A 39 1.863 -6.238 -6.185 1.00 0.00 O ATOM 0 H GLY A 39 4.856 -7.246 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.325 -6.023 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.593 -7.515 -9.097 1.00 0.00 H new ATOM 541 N ALA A 40 0.513 -7.061 -7.821 1.00 0.00 N ATOM 542 CA ALA A 40 -0.763 -6.945 -7.080 1.00 0.00 C ATOM 543 C ALA A 40 -0.765 -7.770 -5.775 1.00 0.00 C ATOM 544 O ALA A 40 -1.469 -7.423 -4.824 1.00 0.00 O ATOM 545 CB ALA A 40 -1.929 -7.361 -7.993 1.00 0.00 C ATOM 0 H ALA A 40 0.400 -7.428 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.884 -5.902 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.868 -7.275 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.957 -6.710 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.789 -8.393 -8.314 1.00 0.00 H new ATOM 551 N GLN A 41 0.039 -8.852 -5.748 1.00 0.00 N ATOM 552 CA GLN A 41 0.166 -9.734 -4.570 1.00 0.00 C ATOM 553 C GLN A 41 0.984 -9.068 -3.447 1.00 0.00 C ATOM 554 O GLN A 41 0.927 -9.503 -2.294 1.00 0.00 O ATOM 555 CB GLN A 41 0.822 -11.082 -4.977 1.00 0.00 C ATOM 556 CG GLN A 41 0.100 -11.842 -6.109 1.00 0.00 C ATOM 557 CD GLN A 41 -1.362 -12.172 -5.787 1.00 0.00 C ATOM 558 OE1 GLN A 41 -1.668 -13.222 -5.225 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.269 -11.272 -6.150 1.00 0.00 N ATOM 0 H GLN A 41 0.616 -9.138 -6.539 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.837 -9.921 -4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.850 -10.890 -5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.868 -11.726 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.137 -11.244 -7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.637 -12.768 -6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.977 -10.412 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.258 -11.441 -5.964 1.00 0.00 H new ATOM 568 N GLY A 42 1.781 -8.042 -3.800 1.00 0.00 N ATOM 569 CA GLY A 42 2.465 -7.213 -2.811 1.00 0.00 C ATOM 570 C GLY A 42 1.571 -6.120 -2.229 1.00 0.00 C ATOM 571 O GLY A 42 1.819 -5.638 -1.118 1.00 0.00 O ATOM 0 H GLY A 42 1.962 -7.773 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.828 -7.847 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.339 -6.753 -3.272 1.00 0.00 H new ATOM 575 N ILE A 43 0.524 -5.727 -2.982 1.00 0.00 N ATOM 576 CA ILE A 43 -0.425 -4.676 -2.564 1.00 0.00 C ATOM 577 C ILE A 43 -1.500 -5.286 -1.644 1.00 0.00 C ATOM 578 O ILE A 43 -2.241 -6.190 -2.047 1.00 0.00 O ATOM 579 CB ILE A 43 -1.095 -3.998 -3.811 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.002 -3.483 -4.792 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.057 -2.853 -3.388 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.520 -2.985 -6.124 1.00 0.00 C ATOM 0 H ILE A 43 0.313 -6.129 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 43 0.123 -3.908 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.697 -4.746 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.552 -2.676 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.713 -4.288 -4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.503 -2.406 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.844 -3.256 -2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.500 -2.093 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.315 -2.648 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.043 -3.793 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.207 -2.155 -5.958 1.00 0.00 H new ATOM 594 N ARG A 44 -1.564 -4.778 -0.404 1.00 0.00 N ATOM 595 CA ARG A 44 -2.417 -5.344 0.655 1.00 0.00 C ATOM 596 C ARG A 44 -3.301 -4.259 1.266 1.00 0.00 C ATOM 597 O ARG A 44 -2.885 -3.557 2.188 1.00 0.00 O ATOM 598 CB ARG A 44 -1.525 -6.022 1.734 1.00 0.00 C ATOM 599 CG ARG A 44 -0.657 -7.181 1.200 1.00 0.00 C ATOM 600 CD ARG A 44 -1.500 -8.326 0.627 1.00 0.00 C ATOM 601 NE ARG A 44 -0.666 -9.399 0.064 1.00 0.00 N ATOM 602 CZ ARG A 44 -1.009 -10.695 -0.008 1.00 0.00 C ATOM 603 NH1 ARG A 44 -2.149 -11.143 0.516 1.00 0.00 N ATOM 604 NH2 ARG A 44 -0.201 -11.540 -0.623 1.00 0.00 N ATOM 0 H ARG A 44 -1.027 -3.964 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.075 -6.099 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.873 -5.269 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.164 -6.399 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.012 -6.804 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.030 -7.563 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.136 -8.736 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.161 -7.937 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 44 0.249 -9.137 -0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.784 -10.497 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.387 -12.132 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.670 -11.205 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.448 -12.528 -0.686 1.00 0.00 H new ATOM 618 N PHE A 45 -4.536 -4.145 0.748 1.00 0.00 N ATOM 619 CA PHE A 45 -5.521 -3.172 1.247 1.00 0.00 C ATOM 620 C PHE A 45 -6.022 -3.620 2.620 1.00 0.00 C ATOM 621 O PHE A 45 -6.289 -4.810 2.829 1.00 0.00 O ATOM 622 CB PHE A 45 -6.724 -3.022 0.284 1.00 0.00 C ATOM 623 CG PHE A 45 -6.346 -2.589 -1.128 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.176 -1.241 -1.436 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.160 -3.525 -2.147 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.831 -0.845 -2.709 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.820 -3.127 -3.421 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.651 -1.786 -3.700 1.00 0.00 C ATOM 0 H PHE A 45 -4.877 -4.720 -0.022 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.028 -2.202 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.253 -3.974 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.420 -2.294 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.317 -0.497 -0.666 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.285 -4.576 -1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.701 0.204 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.686 -3.863 -4.200 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.377 -1.473 -4.697 1.00 0.00 H new ATOM 638 N ILE A 46 -6.115 -2.674 3.555 1.00 0.00 N ATOM 639 CA ILE A 46 -6.667 -2.930 4.884 1.00 0.00 C ATOM 640 C ILE A 46 -8.200 -3.017 4.772 1.00 0.00 C ATOM 641 O ILE A 46 -8.882 -1.994 4.757 1.00 0.00 O ATOM 642 CB ILE A 46 -6.227 -1.803 5.891 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.669 -1.676 5.904 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.801 -2.053 7.305 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.104 -0.654 6.877 1.00 0.00 C ATOM 0 H ILE A 46 -5.810 -1.711 3.412 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.284 -3.874 5.271 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.640 -0.852 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.244 -2.651 6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.334 -1.419 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.478 -1.256 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.890 -2.068 7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.440 -3.011 7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.016 -0.646 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.491 0.335 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.399 -0.917 7.893 1.00 0.00 H new ATOM 657 N TYR A 47 -8.709 -4.245 4.582 1.00 0.00 N ATOM 658 CA TYR A 47 -10.155 -4.513 4.567 1.00 0.00 C ATOM 659 C TYR A 47 -10.625 -4.692 6.013 1.00 0.00 C ATOM 660 O TYR A 47 -9.980 -5.398 6.796 1.00 0.00 O ATOM 661 CB TYR A 47 -10.486 -5.786 3.741 1.00 0.00 C ATOM 662 CG TYR A 47 -9.938 -5.789 2.304 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.512 -5.004 1.300 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.843 -6.586 1.958 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.012 -5.017 0.011 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.341 -6.600 0.674 1.00 0.00 C ATOM 667 CZ TYR A 47 -8.927 -5.819 -0.295 1.00 0.00 C ATOM 668 OH TYR A 47 -8.421 -5.825 -1.575 1.00 0.00 O ATOM 0 H TYR A 47 -8.134 -5.074 4.435 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.670 -3.675 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.090 -6.655 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.569 -5.904 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.360 -4.377 1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.380 -7.204 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.466 -4.404 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.492 -7.221 0.430 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.660 -6.440 -1.623 1.00 0.00 H new ATOM 678 N THR A 48 -11.741 -4.054 6.351 1.00 0.00 N ATOM 679 CA THR A 48 -12.327 -4.095 7.696 1.00 0.00 C ATOM 680 C THR A 48 -13.338 -5.262 7.810 1.00 0.00 C ATOM 681 O THR A 48 -13.414 -6.108 6.906 1.00 0.00 O ATOM 682 CB THR A 48 -12.996 -2.724 8.001 1.00 0.00 C ATOM 683 OG1 THR A 48 -13.963 -2.438 6.986 1.00 0.00 O ATOM 684 CG2 THR A 48 -11.966 -1.575 8.079 1.00 0.00 C ATOM 0 H THR A 48 -12.274 -3.485 5.693 1.00 0.00 H new ATOM 0 HA THR A 48 -11.546 -4.273 8.435 1.00 0.00 H new ATOM 0 HB THR A 48 -13.476 -2.795 8.977 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.599 -1.771 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.481 -0.639 8.294 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.247 -1.784 8.871 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.442 -1.491 7.127 1.00 0.00 H new ATOM 692 N ARG A 49 -14.111 -5.302 8.919 1.00 0.00 N ATOM 693 CA ARG A 49 -15.037 -6.420 9.228 1.00 0.00 C ATOM 694 C ARG A 49 -16.192 -6.551 8.204 1.00 0.00 C ATOM 695 O ARG A 49 -16.824 -7.607 8.109 1.00 0.00 O ATOM 696 CB ARG A 49 -15.599 -6.271 10.670 1.00 0.00 C ATOM 697 CG ARG A 49 -16.610 -5.116 10.870 1.00 0.00 C ATOM 698 CD ARG A 49 -17.020 -4.925 12.346 1.00 0.00 C ATOM 699 NE ARG A 49 -15.884 -4.490 13.185 1.00 0.00 N ATOM 700 CZ ARG A 49 -15.844 -4.518 14.525 1.00 0.00 C ATOM 701 NH1 ARG A 49 -16.846 -5.024 15.233 1.00 0.00 N ATOM 702 NH2 ARG A 49 -14.779 -4.037 15.152 1.00 0.00 N ATOM 0 H ARG A 49 -14.112 -4.564 9.623 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.456 -7.340 9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.081 -7.207 10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.764 -6.123 11.354 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.174 -4.189 10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.501 -5.312 10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.819 -4.187 12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.420 -5.861 12.735 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.058 -4.137 12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.666 -5.401 14.758 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.796 -5.036 16.252 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.002 -3.651 14.615 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.737 -4.053 16.171 1.00 0.00 H new ATOM 716 N GLU A 50 -16.445 -5.483 7.426 1.00 0.00 N ATOM 717 CA GLU A 50 -17.538 -5.436 6.424 1.00 0.00 C ATOM 718 C GLU A 50 -16.930 -5.558 4.997 1.00 0.00 C ATOM 719 O GLU A 50 -17.618 -5.362 3.993 1.00 0.00 O ATOM 720 CB GLU A 50 -18.352 -4.099 6.638 1.00 0.00 C ATOM 721 CG GLU A 50 -19.862 -4.122 6.253 1.00 0.00 C ATOM 722 CD GLU A 50 -20.160 -4.020 4.748 1.00 0.00 C ATOM 723 OE1 GLU A 50 -19.958 -2.929 4.173 1.00 0.00 O ATOM 724 OE2 GLU A 50 -20.577 -5.022 4.131 1.00 0.00 O ATOM 0 H GLU A 50 -15.898 -4.623 7.471 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.231 -6.269 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.274 -3.819 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.867 -3.311 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.302 -5.044 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.362 -3.298 6.762 1.00 0.00 H new ATOM 731 N GLY A 51 -15.613 -5.890 4.918 1.00 0.00 N ATOM 732 CA GLY A 51 -14.909 -6.039 3.632 1.00 0.00 C ATOM 733 C GLY A 51 -14.677 -4.699 2.950 1.00 0.00 C ATOM 734 O GLY A 51 -14.681 -4.599 1.721 1.00 0.00 O ATOM 0 H GLY A 51 -15.025 -6.058 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.951 -6.532 3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.490 -6.685 2.974 1.00 0.00 H new ATOM 738 N ARG A 52 -14.489 -3.661 3.774 1.00 0.00 N ATOM 739 CA ARG A 52 -14.401 -2.269 3.319 1.00 0.00 C ATOM 740 C ARG A 52 -12.929 -1.821 3.275 1.00 0.00 C ATOM 741 O ARG A 52 -12.232 -1.958 4.286 1.00 0.00 O ATOM 742 CB ARG A 52 -15.207 -1.341 4.269 1.00 0.00 C ATOM 743 CG ARG A 52 -16.742 -1.526 4.253 1.00 0.00 C ATOM 744 CD ARG A 52 -17.435 -0.830 3.055 1.00 0.00 C ATOM 745 NE ARG A 52 -16.997 -1.342 1.742 1.00 0.00 N ATOM 746 CZ ARG A 52 -17.428 -2.480 1.157 1.00 0.00 C ATOM 747 NH1 ARG A 52 -18.267 -3.305 1.782 1.00 0.00 N ATOM 748 NH2 ARG A 52 -17.001 -2.798 -0.054 1.00 0.00 N ATOM 0 H ARG A 52 -14.393 -3.765 4.784 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.825 -2.201 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.852 -1.500 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.983 -0.306 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.972 -2.591 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.157 -1.133 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.514 -0.959 3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.237 0.241 3.103 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.309 -0.788 1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.596 -3.082 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.580 -4.160 1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.349 -2.184 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.324 -3.657 -0.500 1.00 0.00 H new ATOM 762 N PRO A 53 -12.434 -1.305 2.102 1.00 0.00 N ATOM 763 CA PRO A 53 -11.120 -0.631 2.018 1.00 0.00 C ATOM 764 C PRO A 53 -11.068 0.572 2.981 1.00 0.00 C ATOM 765 O PRO A 53 -11.840 1.525 2.832 1.00 0.00 O ATOM 766 CB PRO A 53 -11.028 -0.184 0.528 1.00 0.00 C ATOM 767 CG PRO A 53 -11.962 -1.100 -0.189 1.00 0.00 C ATOM 768 CD PRO A 53 -13.101 -1.355 0.773 1.00 0.00 C ATOM 0 HA PRO A 53 -10.286 -1.272 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.322 0.859 0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.011 -0.275 0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.323 -0.647 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.465 -2.030 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.881 -0.599 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.572 -2.322 0.594 1.00 0.00 H new ATOM 776 N SER A 54 -10.164 0.509 3.970 1.00 0.00 N ATOM 777 CA SER A 54 -10.078 1.497 5.066 1.00 0.00 C ATOM 778 C SER A 54 -9.262 2.746 4.645 1.00 0.00 C ATOM 779 O SER A 54 -8.797 3.511 5.497 1.00 0.00 O ATOM 780 CB SER A 54 -9.450 0.798 6.303 1.00 0.00 C ATOM 781 OG SER A 54 -9.569 1.580 7.478 1.00 0.00 O ATOM 0 H SER A 54 -9.466 -0.232 4.036 1.00 0.00 H new ATOM 0 HA SER A 54 -11.077 1.855 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.936 -0.165 6.459 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.397 0.596 6.108 1.00 0.00 H new ATOM 0 HG SER A 54 -9.327 2.509 7.279 1.00 0.00 H new ATOM 787 N GLY A 55 -9.090 2.940 3.316 1.00 0.00 N ATOM 788 CA GLY A 55 -8.345 4.078 2.768 1.00 0.00 C ATOM 789 C GLY A 55 -6.843 3.816 2.666 1.00 0.00 C ATOM 790 O GLY A 55 -6.128 4.506 1.926 1.00 0.00 O ATOM 0 H GLY A 55 -9.464 2.312 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.734 4.317 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.514 4.952 3.397 1.00 0.00 H new ATOM 794 N GLU A 56 -6.378 2.809 3.428 1.00 0.00 N ATOM 795 CA GLU A 56 -4.960 2.469 3.578 1.00 0.00 C ATOM 796 C GLU A 56 -4.645 1.108 2.934 1.00 0.00 C ATOM 797 O GLU A 56 -5.520 0.232 2.841 1.00 0.00 O ATOM 798 CB GLU A 56 -4.564 2.477 5.083 1.00 0.00 C ATOM 799 CG GLU A 56 -4.919 3.787 5.814 1.00 0.00 C ATOM 800 CD GLU A 56 -4.375 3.855 7.247 1.00 0.00 C ATOM 801 OE1 GLU A 56 -3.215 4.297 7.422 1.00 0.00 O ATOM 802 OE2 GLU A 56 -5.094 3.478 8.203 1.00 0.00 O ATOM 0 H GLU A 56 -6.994 2.199 3.966 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.368 3.223 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.061 1.646 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.491 2.304 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.526 4.629 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.003 3.897 5.840 1.00 0.00 H new ATOM 809 N ALA A 57 -3.400 0.977 2.458 1.00 0.00 N ATOM 810 CA ALA A 57 -2.853 -0.260 1.889 1.00 0.00 C ATOM 811 C ALA A 57 -1.350 -0.344 2.164 1.00 0.00 C ATOM 812 O ALA A 57 -0.683 0.678 2.316 1.00 0.00 O ATOM 813 CB ALA A 57 -3.110 -0.328 0.376 1.00 0.00 C ATOM 0 H ALA A 57 -2.730 1.746 2.458 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.355 -1.104 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.695 -1.254 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.183 -0.301 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.634 0.522 -0.112 1.00 0.00 H new ATOM 819 N PHE A 58 -0.825 -1.564 2.209 1.00 0.00 N ATOM 820 CA PHE A 58 0.598 -1.835 2.380 1.00 0.00 C ATOM 821 C PHE A 58 1.165 -2.297 1.044 1.00 0.00 C ATOM 822 O PHE A 58 0.829 -3.382 0.563 1.00 0.00 O ATOM 823 CB PHE A 58 0.813 -2.910 3.471 1.00 0.00 C ATOM 824 CG PHE A 58 0.427 -2.440 4.863 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.185 -1.462 5.507 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.688 -2.949 5.520 1.00 0.00 C ATOM 827 CE1 PHE A 58 0.840 -1.015 6.759 1.00 0.00 C ATOM 828 CE2 PHE A 58 -1.030 -2.497 6.773 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.267 -1.531 7.394 1.00 0.00 C ATOM 0 H PHE A 58 -1.389 -2.410 2.126 1.00 0.00 H new ATOM 0 HA PHE A 58 1.115 -0.931 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.229 -3.795 3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.861 -3.210 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.054 -1.051 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.291 -3.707 5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.438 -0.258 7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.899 -2.900 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.538 -1.179 8.379 1.00 0.00 H new ATOM 839 N VAL A 59 1.995 -1.446 0.436 1.00 0.00 N ATOM 840 CA VAL A 59 2.599 -1.705 -0.868 1.00 0.00 C ATOM 841 C VAL A 59 4.004 -2.266 -0.646 1.00 0.00 C ATOM 842 O VAL A 59 4.892 -1.567 -0.143 1.00 0.00 O ATOM 843 CB VAL A 59 2.622 -0.394 -1.739 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.310 -0.621 -3.107 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.183 0.166 -1.909 1.00 0.00 C ATOM 0 H VAL A 59 2.268 -0.550 0.841 1.00 0.00 H new ATOM 0 HA VAL A 59 2.008 -2.436 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 59 3.218 0.350 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.304 0.309 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.339 -0.942 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.772 -1.389 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.214 1.073 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.559 -0.578 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.765 0.397 -0.929 1.00 0.00 H new ATOM 855 N GLU A 60 4.167 -3.548 -0.975 1.00 0.00 N ATOM 856 CA GLU A 60 5.442 -4.260 -0.866 1.00 0.00 C ATOM 857 C GLU A 60 6.308 -3.900 -2.073 1.00 0.00 C ATOM 858 O GLU A 60 5.820 -3.879 -3.203 1.00 0.00 O ATOM 859 CB GLU A 60 5.178 -5.780 -0.818 1.00 0.00 C ATOM 860 CG GLU A 60 6.418 -6.676 -0.693 1.00 0.00 C ATOM 861 CD GLU A 60 6.053 -8.173 -0.724 1.00 0.00 C ATOM 862 OE1 GLU A 60 5.799 -8.714 -1.819 1.00 0.00 O ATOM 863 OE2 GLU A 60 5.984 -8.806 0.354 1.00 0.00 O ATOM 0 H GLU A 60 3.407 -4.129 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 60 5.963 -3.972 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.518 -5.987 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.639 -6.064 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.109 -6.454 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.938 -6.449 0.238 1.00 0.00 H new ATOM 870 N LEU A 61 7.596 -3.629 -1.824 1.00 0.00 N ATOM 871 CA LEU A 61 8.527 -3.114 -2.839 1.00 0.00 C ATOM 872 C LEU A 61 9.779 -4.005 -2.906 1.00 0.00 C ATOM 873 O LEU A 61 10.190 -4.582 -1.897 1.00 0.00 O ATOM 874 CB LEU A 61 8.874 -1.639 -2.525 1.00 0.00 C ATOM 875 CG LEU A 61 7.638 -0.672 -2.560 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.945 0.672 -1.914 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.112 -0.481 -3.999 1.00 0.00 C ATOM 0 H LEU A 61 8.025 -3.761 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 61 8.058 -3.141 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.336 -1.587 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.616 -1.290 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 61 6.852 -1.145 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.061 1.309 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.227 0.519 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.767 1.152 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.256 0.194 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.900 -0.057 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.808 -1.445 -4.406 1.00 0.00 H new ATOM 889 N GLU A 62 10.365 -4.116 -4.114 1.00 0.00 N ATOM 890 CA GLU A 62 11.434 -5.097 -4.425 1.00 0.00 C ATOM 891 C GLU A 62 12.753 -4.810 -3.670 1.00 0.00 C ATOM 892 O GLU A 62 13.589 -5.707 -3.499 1.00 0.00 O ATOM 893 CB GLU A 62 11.651 -5.144 -5.960 1.00 0.00 C ATOM 894 CG GLU A 62 12.562 -6.289 -6.459 1.00 0.00 C ATOM 895 CD GLU A 62 12.071 -7.694 -6.065 1.00 0.00 C ATOM 896 OE1 GLU A 62 10.969 -8.087 -6.498 1.00 0.00 O ATOM 897 OE2 GLU A 62 12.774 -8.406 -5.314 1.00 0.00 O ATOM 0 H GLU A 62 10.112 -3.527 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 62 11.107 -6.076 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.680 -5.235 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.079 -4.194 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.638 -6.233 -7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.566 -6.141 -6.061 1.00 0.00 H new ATOM 904 N SER A 63 12.912 -3.571 -3.198 1.00 0.00 N ATOM 905 CA SER A 63 14.054 -3.183 -2.367 1.00 0.00 C ATOM 906 C SER A 63 13.742 -1.917 -1.568 1.00 0.00 C ATOM 907 O SER A 63 12.721 -1.252 -1.800 1.00 0.00 O ATOM 908 CB SER A 63 15.307 -2.965 -3.226 1.00 0.00 C ATOM 909 OG SER A 63 15.171 -1.824 -4.042 1.00 0.00 O ATOM 0 H SER A 63 12.256 -2.812 -3.380 1.00 0.00 H new ATOM 0 HA SER A 63 14.247 -3.997 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.179 -2.853 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.482 -3.842 -3.849 1.00 0.00 H new ATOM 0 HG SER A 63 15.983 -1.707 -4.578 1.00 0.00 H new ATOM 915 N GLU A 64 14.665 -1.596 -0.642 1.00 0.00 N ATOM 916 CA GLU A 64 14.623 -0.369 0.165 1.00 0.00 C ATOM 917 C GLU A 64 14.795 0.875 -0.750 1.00 0.00 C ATOM 918 O GLU A 64 14.355 1.966 -0.398 1.00 0.00 O ATOM 919 CB GLU A 64 15.722 -0.437 1.283 1.00 0.00 C ATOM 920 CG GLU A 64 15.399 0.321 2.593 1.00 0.00 C ATOM 921 CD GLU A 64 15.316 1.851 2.460 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.350 2.478 2.135 1.00 0.00 O ATOM 923 OE2 GLU A 64 14.233 2.434 2.688 1.00 0.00 O ATOM 0 H GLU A 64 15.468 -2.190 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 64 13.654 -0.279 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.901 -1.484 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.652 -0.040 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.449 -0.046 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.162 0.077 3.333 1.00 0.00 H new ATOM 930 N ASP A 65 15.422 0.685 -1.933 1.00 0.00 N ATOM 931 CA ASP A 65 15.586 1.751 -2.949 1.00 0.00 C ATOM 932 C ASP A 65 14.209 2.251 -3.420 1.00 0.00 C ATOM 933 O ASP A 65 13.943 3.455 -3.406 1.00 0.00 O ATOM 934 CB ASP A 65 16.416 1.251 -4.159 1.00 0.00 C ATOM 935 CG ASP A 65 17.809 0.737 -3.759 1.00 0.00 C ATOM 936 OD1 ASP A 65 18.747 1.555 -3.642 1.00 0.00 O ATOM 937 OD2 ASP A 65 17.964 -0.486 -3.544 1.00 0.00 O ATOM 0 H ASP A 65 15.828 -0.209 -2.210 1.00 0.00 H new ATOM 0 HA ASP A 65 16.127 2.577 -2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.871 0.453 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.527 2.063 -4.877 1.00 0.00 H new ATOM 942 N GLU A 66 13.359 1.297 -3.839 1.00 0.00 N ATOM 943 CA GLU A 66 11.946 1.570 -4.194 1.00 0.00 C ATOM 944 C GLU A 66 11.137 2.145 -3.024 1.00 0.00 C ATOM 945 O GLU A 66 10.199 2.914 -3.257 1.00 0.00 O ATOM 946 CB GLU A 66 11.235 0.313 -4.766 1.00 0.00 C ATOM 947 CG GLU A 66 11.692 -0.097 -6.178 1.00 0.00 C ATOM 948 CD GLU A 66 13.037 -0.823 -6.242 1.00 0.00 C ATOM 949 OE1 GLU A 66 14.089 -0.161 -6.372 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.048 -2.063 -6.156 1.00 0.00 O ATOM 0 H GLU A 66 13.626 0.318 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 66 11.985 2.331 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.403 -0.523 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.161 0.497 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.929 -0.740 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.750 0.798 -6.798 1.00 0.00 H new ATOM 957 N VAL A 67 11.481 1.754 -1.782 1.00 0.00 N ATOM 958 CA VAL A 67 10.848 2.309 -0.567 1.00 0.00 C ATOM 959 C VAL A 67 11.103 3.822 -0.481 1.00 0.00 C ATOM 960 O VAL A 67 10.167 4.589 -0.273 1.00 0.00 O ATOM 961 CB VAL A 67 11.332 1.578 0.737 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.773 2.248 2.018 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.955 0.078 0.687 1.00 0.00 C ATOM 0 H VAL A 67 12.197 1.053 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 67 9.774 2.138 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 67 12.418 1.664 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.132 1.711 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.109 3.284 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.684 2.221 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.297 -0.414 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.873 -0.023 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.429 -0.388 -0.177 1.00 0.00 H new ATOM 973 N LYS A 68 12.376 4.219 -0.659 1.00 0.00 N ATOM 974 CA LYS A 68 12.792 5.641 -0.735 1.00 0.00 C ATOM 975 C LYS A 68 11.945 6.431 -1.755 1.00 0.00 C ATOM 976 O LYS A 68 11.460 7.519 -1.443 1.00 0.00 O ATOM 977 CB LYS A 68 14.302 5.751 -1.101 1.00 0.00 C ATOM 978 CG LYS A 68 15.315 5.080 -0.119 1.00 0.00 C ATOM 979 CD LYS A 68 15.564 5.859 1.207 1.00 0.00 C ATOM 980 CE LYS A 68 14.432 5.721 2.242 1.00 0.00 C ATOM 981 NZ LYS A 68 14.737 6.427 3.501 1.00 0.00 N ATOM 0 H LYS A 68 13.152 3.564 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 68 12.629 6.079 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.445 5.313 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.556 6.808 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.952 4.082 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.268 4.955 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.494 5.507 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.702 6.915 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.507 6.116 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.261 4.665 2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.947 6.306 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.605 6.034 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.874 7.439 3.307 1.00 0.00 H new ATOM 995 N LEU A 69 11.752 5.839 -2.951 1.00 0.00 N ATOM 996 CA LEU A 69 10.983 6.456 -4.056 1.00 0.00 C ATOM 997 C LEU A 69 9.502 6.665 -3.648 1.00 0.00 C ATOM 998 O LEU A 69 8.941 7.743 -3.845 1.00 0.00 O ATOM 999 CB LEU A 69 11.070 5.572 -5.341 1.00 0.00 C ATOM 1000 CG LEU A 69 12.507 5.179 -5.827 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.452 4.303 -7.101 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.410 6.422 -6.009 1.00 0.00 C ATOM 0 H LEU A 69 12.125 4.918 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 69 11.420 7.431 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.508 4.655 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.569 6.100 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 69 12.965 4.574 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.465 4.048 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.896 3.389 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.955 4.854 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.398 6.108 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.968 7.088 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.502 6.947 -5.058 1.00 0.00 H new ATOM 1014 N ALA A 70 8.907 5.603 -3.071 1.00 0.00 N ATOM 1015 CA ALA A 70 7.512 5.606 -2.566 1.00 0.00 C ATOM 1016 C ALA A 70 7.300 6.697 -1.493 1.00 0.00 C ATOM 1017 O ALA A 70 6.302 7.424 -1.532 1.00 0.00 O ATOM 1018 CB ALA A 70 7.145 4.222 -2.008 1.00 0.00 C ATOM 0 H ALA A 70 9.381 4.710 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 70 6.853 5.835 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.119 4.238 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.236 3.476 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.819 3.969 -1.190 1.00 0.00 H new ATOM 1024 N LEU A 71 8.249 6.777 -0.537 1.00 0.00 N ATOM 1025 CA LEU A 71 8.267 7.801 0.533 1.00 0.00 C ATOM 1026 C LEU A 71 8.302 9.225 -0.045 1.00 0.00 C ATOM 1027 O LEU A 71 7.645 10.121 0.472 1.00 0.00 O ATOM 1028 CB LEU A 71 9.482 7.575 1.481 1.00 0.00 C ATOM 1029 CG LEU A 71 9.470 6.251 2.306 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.745 6.105 3.159 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.194 6.145 3.161 1.00 0.00 C ATOM 0 H LEU A 71 9.033 6.127 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 71 7.345 7.696 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.393 7.599 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.535 8.413 2.177 1.00 0.00 H new ATOM 0 HG LEU A 71 9.462 5.419 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.702 5.172 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.619 6.097 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.816 6.943 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.211 5.213 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.148 6.987 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.319 6.160 2.512 1.00 0.00 H new ATOM 1043 N LYS A 72 9.061 9.396 -1.137 1.00 0.00 N ATOM 1044 CA LYS A 72 9.198 10.696 -1.830 1.00 0.00 C ATOM 1045 C LYS A 72 7.876 11.110 -2.536 1.00 0.00 C ATOM 1046 O LYS A 72 7.665 12.295 -2.824 1.00 0.00 O ATOM 1047 CB LYS A 72 10.388 10.656 -2.828 1.00 0.00 C ATOM 1048 CG LYS A 72 11.789 10.588 -2.163 1.00 0.00 C ATOM 1049 CD LYS A 72 12.940 10.537 -3.198 1.00 0.00 C ATOM 1050 CE LYS A 72 12.984 11.789 -4.094 1.00 0.00 C ATOM 1051 NZ LYS A 72 14.060 11.712 -5.110 1.00 0.00 N ATOM 0 H LYS A 72 9.598 8.643 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 72 9.409 11.458 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.268 9.791 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.344 11.542 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.923 11.457 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.841 9.706 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.891 10.435 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.824 9.651 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.023 11.910 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.135 12.673 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.052 12.575 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.981 11.623 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.903 10.884 -5.720 1.00 0.00 H new ATOM 1065 N LYS A 73 6.996 10.126 -2.782 1.00 0.00 N ATOM 1066 CA LYS A 73 5.684 10.335 -3.435 1.00 0.00 C ATOM 1067 C LYS A 73 4.554 10.593 -2.413 1.00 0.00 C ATOM 1068 O LYS A 73 3.371 10.493 -2.764 1.00 0.00 O ATOM 1069 CB LYS A 73 5.350 9.100 -4.313 1.00 0.00 C ATOM 1070 CG LYS A 73 6.354 8.858 -5.456 1.00 0.00 C ATOM 1071 CD LYS A 73 6.017 7.591 -6.273 1.00 0.00 C ATOM 1072 CE LYS A 73 7.031 7.341 -7.397 1.00 0.00 C ATOM 1073 NZ LYS A 73 7.110 8.491 -8.344 1.00 0.00 N ATOM 0 H LYS A 73 7.172 9.153 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 73 5.754 11.227 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.316 8.214 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.354 9.227 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.362 9.723 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.358 8.764 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.993 6.727 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.020 7.691 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.015 7.160 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.752 6.440 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.673 8.218 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.152 8.757 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.561 9.300 -7.871 1.00 0.00 H new ATOM 1087 N ASP A 74 4.915 10.952 -1.161 1.00 0.00 N ATOM 1088 CA ASP A 74 3.942 11.262 -0.077 1.00 0.00 C ATOM 1089 C ASP A 74 3.081 12.550 -0.289 1.00 0.00 C ATOM 1090 O ASP A 74 2.539 13.086 0.683 1.00 0.00 O ATOM 1091 CB ASP A 74 4.703 11.363 1.278 1.00 0.00 C ATOM 1092 CG ASP A 74 5.581 12.635 1.411 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.635 12.723 0.744 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.222 13.550 2.185 1.00 0.00 O ATOM 0 H ASP A 74 5.888 11.037 -0.868 1.00 0.00 H new ATOM 0 HA ASP A 74 3.227 10.439 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.979 11.346 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.335 10.483 1.395 1.00 0.00 H new ATOM 1099 N ARG A 75 2.901 13.009 -1.540 1.00 0.00 N ATOM 1100 CA ARG A 75 2.024 14.163 -1.860 1.00 0.00 C ATOM 1101 C ARG A 75 1.281 13.936 -3.197 1.00 0.00 C ATOM 1102 O ARG A 75 0.223 14.546 -3.423 1.00 0.00 O ATOM 1103 CB ARG A 75 2.849 15.473 -1.899 1.00 0.00 C ATOM 1104 CG ARG A 75 2.013 16.776 -1.930 1.00 0.00 C ATOM 1105 CD ARG A 75 2.890 18.034 -1.987 1.00 0.00 C ATOM 1106 NE ARG A 75 2.094 19.276 -2.025 1.00 0.00 N ATOM 1107 CZ ARG A 75 2.599 20.510 -2.174 1.00 0.00 C ATOM 1108 NH1 ARG A 75 3.905 20.700 -2.325 1.00 0.00 N ATOM 1109 NH2 ARG A 75 1.789 21.552 -2.173 1.00 0.00 N ATOM 0 H ARG A 75 3.353 12.598 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 75 1.274 14.254 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.501 15.499 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.493 15.452 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.351 16.759 -2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.379 16.819 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.548 18.054 -1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.529 17.988 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 75 1.082 19.190 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.539 19.901 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.273 21.645 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.784 21.417 -2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.168 22.492 -2.286 1.00 0.00 H new ATOM 1123 N GLU A 76 1.856 13.070 -4.075 1.00 0.00 N ATOM 1124 CA GLU A 76 1.273 12.670 -5.377 1.00 0.00 C ATOM 1125 C GLU A 76 -0.225 12.305 -5.254 1.00 0.00 C ATOM 1126 O GLU A 76 -0.623 11.582 -4.339 1.00 0.00 O ATOM 1127 CB GLU A 76 2.054 11.454 -5.937 1.00 0.00 C ATOM 1128 CG GLU A 76 3.527 11.711 -6.303 1.00 0.00 C ATOM 1129 CD GLU A 76 3.699 12.631 -7.519 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.539 12.148 -8.659 1.00 0.00 O ATOM 1131 OE2 GLU A 76 4.003 13.831 -7.346 1.00 0.00 O ATOM 0 H GLU A 76 2.755 12.624 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 76 1.354 13.521 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.018 10.653 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.537 11.093 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.035 12.154 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.015 10.758 -6.505 1.00 0.00 H new ATOM 1138 N THR A 77 -1.025 12.816 -6.194 1.00 0.00 N ATOM 1139 CA THR A 77 -2.481 12.655 -6.200 1.00 0.00 C ATOM 1140 C THR A 77 -2.899 11.406 -7.000 1.00 0.00 C ATOM 1141 O THR A 77 -2.427 11.194 -8.123 1.00 0.00 O ATOM 1142 CB THR A 77 -3.185 13.935 -6.771 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.601 14.314 -8.031 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.103 15.122 -5.795 1.00 0.00 C ATOM 0 H THR A 77 -0.675 13.360 -6.982 1.00 0.00 H new ATOM 0 HA THR A 77 -2.803 12.519 -5.167 1.00 0.00 H new ATOM 0 HB THR A 77 -4.236 13.682 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.053 15.113 -8.374 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.603 15.987 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.590 14.856 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.058 15.365 -5.605 1.00 0.00 H new ATOM 1152 N MET A 78 -3.778 10.592 -6.391 1.00 0.00 N ATOM 1153 CA MET A 78 -4.335 9.359 -6.986 1.00 0.00 C ATOM 1154 C MET A 78 -5.869 9.387 -6.878 1.00 0.00 C ATOM 1155 O MET A 78 -6.423 9.498 -5.771 1.00 0.00 O ATOM 1156 CB MET A 78 -3.768 8.121 -6.257 1.00 0.00 C ATOM 1157 CG MET A 78 -4.285 6.763 -6.735 1.00 0.00 C ATOM 1158 SD MET A 78 -3.581 5.421 -5.767 1.00 0.00 S ATOM 1159 CE MET A 78 -4.599 4.048 -6.263 1.00 0.00 C ATOM 0 H MET A 78 -4.130 10.774 -5.451 1.00 0.00 H new ATOM 0 HA MET A 78 -4.053 9.302 -8.037 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.683 8.130 -6.359 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.989 8.218 -5.194 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.372 6.738 -6.659 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.035 6.626 -7.787 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.277 3.786 -5.451 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.178 4.324 -7.144 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.966 3.192 -6.498 1.00 0.00 H new ATOM 1169 N GLY A 79 -6.536 9.289 -8.040 1.00 0.00 N ATOM 1170 CA GLY A 79 -7.994 9.361 -8.136 1.00 0.00 C ATOM 1171 C GLY A 79 -8.477 10.801 -8.044 1.00 0.00 C ATOM 1172 O GLY A 79 -8.847 11.412 -9.052 1.00 0.00 O ATOM 0 H GLY A 79 -6.073 9.157 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.322 8.923 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.444 8.771 -7.337 1.00 0.00 H new ATOM 1176 N HIS A 80 -8.453 11.346 -6.811 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.790 12.757 -6.514 1.00 0.00 C ATOM 1178 C HIS A 80 -7.913 13.279 -5.363 1.00 0.00 C ATOM 1179 O HIS A 80 -7.512 14.445 -5.361 1.00 0.00 O ATOM 1180 CB HIS A 80 -10.293 12.930 -6.136 1.00 0.00 C ATOM 1181 CG HIS A 80 -11.262 12.624 -7.253 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -11.623 13.547 -8.207 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.947 11.493 -7.559 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -12.471 12.995 -9.055 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -12.684 11.755 -8.681 1.00 0.00 N ATOM 0 H HIS A 80 -8.196 10.813 -5.980 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.600 13.333 -7.420 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.518 12.281 -5.290 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.455 13.955 -5.803 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.916 10.559 -7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.914 13.481 -9.911 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -13.301 11.093 -9.152 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.624 12.406 -4.389 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.975 12.793 -3.120 1.00 0.00 C ATOM 1196 C ARG A 81 -5.443 12.794 -3.206 1.00 0.00 C ATOM 1197 O ARG A 81 -4.862 12.266 -4.156 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.409 11.828 -1.991 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.923 11.800 -1.699 1.00 0.00 C ATOM 1200 CD ARG A 81 -9.230 11.058 -0.388 1.00 0.00 C ATOM 1201 NE ARG A 81 -8.508 11.668 0.750 1.00 0.00 N ATOM 1202 CZ ARG A 81 -8.744 11.447 2.042 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -9.683 10.601 2.438 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -8.019 12.085 2.941 1.00 0.00 N ATOM 0 H ARG A 81 -7.832 11.410 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.296 13.813 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.087 10.820 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.884 12.104 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.302 12.820 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.445 11.315 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.303 11.080 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.945 10.010 -0.484 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.757 12.320 0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.244 10.102 1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.845 10.448 3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.292 12.735 2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.186 11.928 3.935 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.812 13.387 -2.172 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.357 13.326 -1.958 1.00 0.00 C ATOM 1220 C TYR A 82 -3.026 11.982 -1.298 1.00 0.00 C ATOM 1221 O TYR A 82 -3.732 11.564 -0.372 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.875 14.476 -1.031 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.243 15.886 -1.506 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -2.525 16.507 -2.528 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -4.296 16.597 -0.929 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -2.847 17.780 -2.959 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -4.621 17.869 -1.355 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.896 18.458 -2.371 1.00 0.00 C ATOM 1229 OH TYR A 82 -4.217 19.734 -2.797 1.00 0.00 O ATOM 0 H TYR A 82 -5.304 13.925 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.853 13.429 -2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.295 14.322 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.791 14.413 -0.932 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.702 15.983 -2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.868 16.143 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.280 18.243 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.440 18.402 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.980 20.069 -2.281 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.962 11.313 -1.752 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.532 10.028 -1.188 1.00 0.00 C ATOM 1241 C VAL A 83 -0.366 10.267 -0.228 1.00 0.00 C ATOM 1242 O VAL A 83 0.684 10.758 -0.630 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.145 9.012 -2.317 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.443 7.754 -1.760 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -2.401 8.620 -3.120 1.00 0.00 C ATOM 0 H VAL A 83 -1.376 11.645 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.361 9.584 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.431 9.507 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.195 7.082 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.471 8.046 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.108 7.245 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.126 7.914 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.129 8.158 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.837 9.511 -3.572 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.608 9.938 1.042 1.00 0.00 N ATOM 1256 CA GLU A 84 0.333 10.100 2.147 1.00 0.00 C ATOM 1257 C GLU A 84 1.021 8.746 2.406 1.00 0.00 C ATOM 1258 O GLU A 84 0.342 7.744 2.662 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.455 10.588 3.395 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.363 11.808 3.122 1.00 0.00 C ATOM 1261 CD GLU A 84 -2.300 12.156 4.285 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -1.857 12.839 5.231 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -3.486 11.760 4.254 1.00 0.00 O ATOM 0 H GLU A 84 -1.498 9.537 1.338 1.00 0.00 H new ATOM 0 HA GLU A 84 1.101 10.837 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.067 9.768 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.253 10.843 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.737 12.673 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.961 11.612 2.232 1.00 0.00 H new ATOM 1270 N VAL A 85 2.363 8.723 2.322 1.00 0.00 N ATOM 1271 CA VAL A 85 3.161 7.482 2.382 1.00 0.00 C ATOM 1272 C VAL A 85 4.115 7.523 3.590 1.00 0.00 C ATOM 1273 O VAL A 85 4.909 8.455 3.731 1.00 0.00 O ATOM 1274 CB VAL A 85 3.987 7.239 1.059 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.747 5.879 1.107 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.078 7.328 -0.196 1.00 0.00 C ATOM 0 H VAL A 85 2.927 9.565 2.210 1.00 0.00 H new ATOM 0 HA VAL A 85 2.461 6.654 2.492 1.00 0.00 H new ATOM 0 HB VAL A 85 4.732 8.032 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.306 5.742 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.437 5.877 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.031 5.066 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.676 7.156 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.295 6.573 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.624 8.318 -0.247 1.00 0.00 H new ATOM 1286 N PHE A 86 4.002 6.510 4.453 1.00 0.00 N ATOM 1287 CA PHE A 86 4.895 6.258 5.596 1.00 0.00 C ATOM 1288 C PHE A 86 5.695 4.987 5.286 1.00 0.00 C ATOM 1289 O PHE A 86 5.496 4.368 4.231 1.00 0.00 O ATOM 1290 CB PHE A 86 4.055 6.067 6.898 1.00 0.00 C ATOM 1291 CG PHE A 86 2.910 7.062 7.024 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.120 8.343 7.522 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.629 6.725 6.597 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.086 9.251 7.588 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.602 7.630 6.671 1.00 0.00 C ATOM 1296 CZ PHE A 86 0.828 8.896 7.163 1.00 0.00 C ATOM 0 H PHE A 86 3.260 5.815 4.375 1.00 0.00 H new ATOM 0 HA PHE A 86 5.568 7.101 5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.652 5.055 6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.710 6.166 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.105 8.629 7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.442 5.737 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.264 10.244 7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.388 7.349 6.342 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.018 9.609 7.215 1.00 0.00 H new ATOM 1306 N LYS A 87 6.585 4.587 6.192 1.00 0.00 N ATOM 1307 CA LYS A 87 7.385 3.365 6.031 1.00 0.00 C ATOM 1308 C LYS A 87 6.950 2.345 7.089 1.00 0.00 C ATOM 1309 O LYS A 87 6.768 2.696 8.264 1.00 0.00 O ATOM 1310 CB LYS A 87 8.903 3.668 6.126 1.00 0.00 C ATOM 1311 CG LYS A 87 9.793 2.436 5.875 1.00 0.00 C ATOM 1312 CD LYS A 87 11.297 2.770 5.839 1.00 0.00 C ATOM 1313 CE LYS A 87 12.138 1.524 5.540 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.576 1.828 5.411 1.00 0.00 N ATOM 0 H LYS A 87 6.775 5.095 7.056 1.00 0.00 H new ATOM 0 HA LYS A 87 7.212 2.948 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.157 4.443 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.124 4.070 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.610 1.698 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.507 1.976 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.485 3.529 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.600 3.195 6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.995 0.794 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.784 1.064 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.132 0.977 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.781 2.133 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.831 2.589 6.073 1.00 0.00 H new ATOM 1328 N SER A 88 6.783 1.094 6.659 1.00 0.00 N ATOM 1329 CA SER A 88 6.330 -0.006 7.516 1.00 0.00 C ATOM 1330 C SER A 88 7.214 -1.246 7.254 1.00 0.00 C ATOM 1331 O SER A 88 8.395 -1.089 6.905 1.00 0.00 O ATOM 1332 CB SER A 88 4.821 -0.244 7.242 1.00 0.00 C ATOM 1333 OG SER A 88 4.556 -0.552 5.886 1.00 0.00 O ATOM 0 H SER A 88 6.960 0.811 5.695 1.00 0.00 H new ATOM 0 HA SER A 88 6.434 0.228 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.465 -1.059 7.872 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.259 0.646 7.525 1.00 0.00 H new ATOM 0 HG SER A 88 5.385 -0.488 5.368 1.00 0.00 H new ATOM 1339 N ASN A 89 6.662 -2.465 7.408 1.00 0.00 N ATOM 1340 CA ASN A 89 7.442 -3.714 7.296 1.00 0.00 C ATOM 1341 C ASN A 89 6.503 -4.886 6.918 1.00 0.00 C ATOM 1342 O ASN A 89 5.279 -4.733 6.943 1.00 0.00 O ATOM 1343 CB ASN A 89 8.175 -3.989 8.647 1.00 0.00 C ATOM 1344 CG ASN A 89 9.248 -5.073 8.569 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.868 -5.273 7.523 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.445 -5.801 9.658 1.00 0.00 N ATOM 0 H ASN A 89 5.673 -2.612 7.611 1.00 0.00 H new ATOM 0 HA ASN A 89 8.191 -3.616 6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.635 -3.063 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.437 -4.278 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.129 -6.557 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.912 -5.605 10.506 1.00 0.00 H new ATOM 1353 N ASN A 90 7.091 -6.049 6.563 1.00 0.00 N ATOM 1354 CA ASN A 90 6.343 -7.300 6.274 1.00 0.00 C ATOM 1355 C ASN A 90 5.545 -7.778 7.515 1.00 0.00 C ATOM 1356 O ASN A 90 4.451 -8.321 7.391 1.00 0.00 O ATOM 1357 CB ASN A 90 7.318 -8.421 5.796 1.00 0.00 C ATOM 1358 CG ASN A 90 8.366 -8.864 6.832 1.00 0.00 C ATOM 1359 OD1 ASN A 90 8.822 -8.070 7.653 1.00 0.00 O ATOM 1360 ND2 ASN A 90 8.734 -10.141 6.816 1.00 0.00 N ATOM 0 H ASN A 90 8.101 -6.151 6.467 1.00 0.00 H new ATOM 0 HA ASN A 90 5.632 -7.086 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.730 -9.291 5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.838 -8.072 4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.411 -10.485 7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.339 -10.777 6.123 1.00 0.00 H new ATOM 1367 N VAL A 91 6.130 -7.536 8.701 1.00 0.00 N ATOM 1368 CA VAL A 91 5.517 -7.854 10.008 1.00 0.00 C ATOM 1369 C VAL A 91 4.262 -6.990 10.230 1.00 0.00 C ATOM 1370 O VAL A 91 3.236 -7.481 10.700 1.00 0.00 O ATOM 1371 CB VAL A 91 6.541 -7.638 11.183 1.00 0.00 C ATOM 1372 CG1 VAL A 91 5.897 -7.898 12.577 1.00 0.00 C ATOM 1373 CG2 VAL A 91 7.792 -8.521 10.967 1.00 0.00 C ATOM 0 H VAL A 91 7.053 -7.109 8.783 1.00 0.00 H new ATOM 0 HA VAL A 91 5.229 -8.905 10.000 1.00 0.00 H new ATOM 0 HB VAL A 91 6.846 -6.592 11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.641 -7.737 13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.062 -7.214 12.725 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.537 -8.926 12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.494 -8.364 11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.497 -9.570 10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.268 -8.253 10.024 1.00 0.00 H new ATOM 1383 N GLU A 92 4.377 -5.709 9.838 1.00 0.00 N ATOM 1384 CA GLU A 92 3.293 -4.720 9.934 1.00 0.00 C ATOM 1385 C GLU A 92 2.114 -5.127 9.033 1.00 0.00 C ATOM 1386 O GLU A 92 0.966 -5.185 9.481 1.00 0.00 O ATOM 1387 CB GLU A 92 3.820 -3.316 9.523 1.00 0.00 C ATOM 1388 CG GLU A 92 2.760 -2.184 9.551 1.00 0.00 C ATOM 1389 CD GLU A 92 2.513 -1.538 10.923 1.00 0.00 C ATOM 1390 OE1 GLU A 92 2.605 -2.224 11.963 1.00 0.00 O ATOM 1391 OE2 GLU A 92 2.221 -0.324 10.958 1.00 0.00 O ATOM 0 H GLU A 92 5.236 -5.329 9.441 1.00 0.00 H new ATOM 0 HA GLU A 92 2.944 -4.682 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.639 -3.043 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.235 -3.380 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.068 -1.405 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.816 -2.586 9.184 1.00 0.00 H new ATOM 1398 N MET A 93 2.440 -5.431 7.762 1.00 0.00 N ATOM 1399 CA MET A 93 1.469 -5.887 6.752 1.00 0.00 C ATOM 1400 C MET A 93 0.694 -7.123 7.251 1.00 0.00 C ATOM 1401 O MET A 93 -0.539 -7.128 7.282 1.00 0.00 O ATOM 1402 CB MET A 93 2.202 -6.229 5.425 1.00 0.00 C ATOM 1403 CG MET A 93 1.308 -6.888 4.360 1.00 0.00 C ATOM 1404 SD MET A 93 2.205 -7.450 2.902 1.00 0.00 S ATOM 1405 CE MET A 93 2.768 -5.911 2.192 1.00 0.00 C ATOM 0 H MET A 93 3.393 -5.366 7.406 1.00 0.00 H new ATOM 0 HA MET A 93 0.758 -5.080 6.576 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.626 -5.314 5.011 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.036 -6.895 5.645 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.792 -7.738 4.807 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.542 -6.177 4.052 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.306 -5.770 1.215 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.490 -5.085 2.847 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.852 -5.937 2.080 1.00 0.00 H new ATOM 1415 N ASP A 94 1.467 -8.128 7.699 1.00 0.00 N ATOM 1416 CA ASP A 94 0.957 -9.446 8.121 1.00 0.00 C ATOM 1417 C ASP A 94 -0.019 -9.297 9.295 1.00 0.00 C ATOM 1418 O ASP A 94 -1.119 -9.859 9.273 1.00 0.00 O ATOM 1419 CB ASP A 94 2.157 -10.354 8.519 1.00 0.00 C ATOM 1420 CG ASP A 94 1.746 -11.748 9.020 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.339 -12.592 8.190 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.840 -12.014 10.242 1.00 0.00 O ATOM 0 H ASP A 94 2.481 -8.046 7.780 1.00 0.00 H new ATOM 0 HA ASP A 94 0.416 -9.905 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.815 -10.468 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.735 -9.855 9.297 1.00 0.00 H new ATOM 1427 N TRP A 95 0.402 -8.476 10.274 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.334 -8.169 11.512 1.00 0.00 C ATOM 1429 C TRP A 95 -1.772 -7.697 11.199 1.00 0.00 C ATOM 1430 O TRP A 95 -2.756 -8.221 11.733 1.00 0.00 O ATOM 1431 CB TRP A 95 0.459 -7.060 12.275 1.00 0.00 C ATOM 1432 CG TRP A 95 -0.018 -6.774 13.678 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -1.148 -6.101 14.047 1.00 0.00 C ATOM 1434 CD2 TRP A 95 0.641 -7.134 14.893 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -1.238 -6.045 15.409 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -0.150 -6.671 15.955 1.00 0.00 C ATOM 1437 CE3 TRP A 95 1.827 -7.812 15.179 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 0.206 -6.854 17.285 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 2.180 -8.002 16.497 1.00 0.00 C ATOM 1440 CH2 TRP A 95 1.374 -7.527 17.539 1.00 0.00 C ATOM 0 H TRP A 95 1.298 -7.991 10.222 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.419 -9.064 12.128 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.508 -7.352 12.318 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.408 -6.137 11.697 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.866 -5.675 13.362 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.994 -5.607 15.935 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.456 -8.181 14.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.413 -6.481 18.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.095 -8.527 16.731 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.678 -7.694 18.562 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.847 -6.709 10.307 1.00 0.00 N ATOM 1452 CA VAL A 96 -3.108 -6.047 9.930 1.00 0.00 C ATOM 1453 C VAL A 96 -4.019 -6.969 9.081 1.00 0.00 C ATOM 1454 O VAL A 96 -5.246 -6.904 9.195 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.817 -4.704 9.187 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -4.116 -3.923 8.879 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.840 -3.841 10.011 1.00 0.00 C ATOM 0 H VAL A 96 -1.031 -6.339 9.819 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.652 -5.826 10.849 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.354 -4.946 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.869 -2.996 8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.764 -4.530 8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.632 -3.693 9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.645 -2.908 9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.280 -3.622 10.984 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.904 -4.382 10.149 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.413 -7.838 8.252 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.173 -8.818 7.436 1.00 0.00 C ATOM 1469 C LEU A 97 -4.811 -9.910 8.330 1.00 0.00 C ATOM 1470 O LEU A 97 -5.856 -10.470 7.985 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.269 -9.461 6.347 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.655 -8.493 5.284 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.789 -9.273 4.274 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.743 -7.642 4.586 1.00 0.00 C ATOM 0 H LEU A 97 -2.402 -7.886 8.126 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.976 -8.278 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.451 -9.981 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.853 -10.217 5.822 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.003 -7.791 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.371 -8.581 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.979 -9.776 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.404 -10.013 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.276 -6.983 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.451 -8.299 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.270 -7.044 5.330 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.179 -10.175 9.488 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.676 -11.162 10.479 1.00 0.00 C ATOM 1488 C LYS A 98 -5.973 -10.682 11.163 1.00 0.00 C ATOM 1489 O LYS A 98 -6.767 -11.509 11.627 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.573 -11.469 11.524 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.345 -12.201 10.940 1.00 0.00 C ATOM 1492 CD LYS A 98 -1.157 -12.288 11.920 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.469 -13.101 13.182 1.00 0.00 C ATOM 1494 NZ LYS A 98 -0.264 -13.293 14.025 1.00 0.00 N ATOM 0 H LYS A 98 -3.312 -9.716 9.768 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.919 -12.082 9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.245 -10.534 11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.001 -12.077 12.322 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.638 -13.209 10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.022 -11.687 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.305 -12.737 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.860 -11.280 12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.240 -12.592 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.873 -14.073 12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.515 -13.847 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.463 -13.801 13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.107 -12.366 14.317 1.00 0.00 H new ATOM 1508 N HIS A 99 -6.186 -9.347 11.180 1.00 0.00 N ATOM 1509 CA HIS A 99 -7.386 -8.720 11.772 1.00 0.00 C ATOM 1510 C HIS A 99 -7.391 -7.219 11.436 1.00 0.00 C ATOM 1511 O HIS A 99 -8.167 -6.767 10.580 1.00 0.00 O ATOM 1512 CB HIS A 99 -7.437 -8.956 13.314 1.00 0.00 C ATOM 1513 CG HIS A 99 -8.745 -8.601 13.976 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -9.831 -9.449 13.990 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -9.134 -7.497 14.658 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -10.825 -8.883 14.647 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -10.428 -7.700 15.063 1.00 0.00 N ATOM 0 H HIS A 99 -5.529 -8.675 10.783 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.278 -9.180 11.348 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.221 -10.006 13.512 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.642 -8.374 13.781 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.535 -6.619 14.848 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.799 -9.317 14.815 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.991 -7.041 15.600 1.00 0.00 H new