USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 720 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.000285 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -55:sc= 0.236 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -125:sc= -1.31 (180deg=-3.75!) USER MOD Single : A 14 ASN : amide:sc= -0.0679 K(o=-0.068,f=-1.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0215 USER MOD Single : A 33 GLN : amide:sc= -0.0647 K(o=-0.065,f=-1.7!) USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= 0.227 (180deg=-1.16) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 8:sc= 0.564 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0959 (180deg=-0.591) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= 1.49 (180deg=1.31) USER MOD Single : A 50 MET CE :methyl 177:sc= -0.367 (180deg=-0.391) USER MOD Single : A 53 HIS : no HD1:sc= -5.55! C(o=-5.6!,f=-5.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc=-0.00792 X(o=-0.0079,f=-0.094) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 140:sc= -1.32 USER MOD Single : A 70 ASN : amide:sc= -0.875 X(o=-0.87,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.0602 (180deg=-0.361) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.147 0.866 23.169 1.00 0.00 N ATOM 2 CA GLY A 1 -4.984 0.832 21.728 1.00 0.00 C ATOM 3 C GLY A 1 -4.496 2.153 21.168 1.00 0.00 C ATOM 4 O GLY A 1 -5.263 3.109 21.056 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.482 -0.060 23.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.234 1.086 23.617 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.842 1.597 23.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.277 0.046 21.464 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.936 0.574 21.264 1.00 0.00 H new ATOM 8 N SER A 2 -3.215 2.208 20.816 1.00 0.00 N ATOM 9 CA SER A 2 -2.624 3.424 20.270 1.00 0.00 C ATOM 10 C SER A 2 -1.581 3.091 19.208 1.00 0.00 C ATOM 11 O SER A 2 -0.647 2.329 19.456 1.00 0.00 O ATOM 12 CB SER A 2 -1.985 4.252 21.387 1.00 0.00 C ATOM 13 OG SER A 2 -2.896 4.462 22.452 1.00 0.00 O ATOM 0 H SER A 2 -2.567 1.425 20.899 1.00 0.00 H new ATOM 0 HA SER A 2 -3.418 4.007 19.804 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.097 3.742 21.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.658 5.213 20.990 1.00 0.00 H new ATOM 0 HG SER A 2 -2.463 4.992 23.153 1.00 0.00 H new ATOM 19 N SER A 3 -1.747 3.669 18.022 1.00 0.00 N ATOM 20 CA SER A 3 -0.823 3.432 16.920 1.00 0.00 C ATOM 21 C SER A 3 -0.393 4.748 16.279 1.00 0.00 C ATOM 22 O SER A 3 -1.029 5.233 15.344 1.00 0.00 O ATOM 23 CB SER A 3 -1.471 2.528 15.869 1.00 0.00 C ATOM 24 OG SER A 3 -1.578 1.195 16.340 1.00 0.00 O ATOM 0 H SER A 3 -2.513 4.305 17.800 1.00 0.00 H new ATOM 0 HA SER A 3 0.062 2.937 17.320 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.461 2.909 15.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.880 2.547 14.953 1.00 0.00 H new ATOM 0 HG SER A 3 -1.997 0.637 15.651 1.00 0.00 H new ATOM 30 N GLY A 4 0.693 5.320 16.789 1.00 0.00 N ATOM 31 CA GLY A 4 1.191 6.575 16.255 1.00 0.00 C ATOM 32 C GLY A 4 0.680 7.776 17.026 1.00 0.00 C ATOM 33 O GLY A 4 -0.464 8.195 16.850 1.00 0.00 O ATOM 0 H GLY A 4 1.237 4.937 17.562 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.281 6.569 16.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.895 6.665 15.210 1.00 0.00 H new ATOM 37 N SER A 5 1.530 8.331 17.884 1.00 0.00 N ATOM 38 CA SER A 5 1.156 9.489 18.689 1.00 0.00 C ATOM 39 C SER A 5 2.366 10.379 18.954 1.00 0.00 C ATOM 40 O SER A 5 3.509 9.972 18.745 1.00 0.00 O ATOM 41 CB SER A 5 0.541 9.037 20.015 1.00 0.00 C ATOM 42 OG SER A 5 1.534 8.540 20.895 1.00 0.00 O ATOM 0 H SER A 5 2.481 7.998 18.040 1.00 0.00 H new ATOM 0 HA SER A 5 0.418 10.065 18.132 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.022 9.874 20.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.204 8.264 19.829 1.00 0.00 H new ATOM 0 HG SER A 5 1.115 8.259 21.736 1.00 0.00 H new ATOM 48 N SER A 6 2.106 11.598 19.416 1.00 0.00 N ATOM 49 CA SER A 6 3.172 12.550 19.707 1.00 0.00 C ATOM 50 C SER A 6 3.879 12.981 18.426 1.00 0.00 C ATOM 51 O SER A 6 5.104 13.081 18.383 1.00 0.00 O ATOM 52 CB SER A 6 4.182 11.935 20.677 1.00 0.00 C ATOM 53 OG SER A 6 5.067 12.919 21.184 1.00 0.00 O ATOM 0 H SER A 6 1.166 11.950 19.597 1.00 0.00 H new ATOM 0 HA SER A 6 2.724 13.430 20.169 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.654 11.457 21.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.751 11.157 20.169 1.00 0.00 H new ATOM 0 HG SER A 6 5.497 13.388 20.438 1.00 0.00 H new ATOM 59 N GLY A 7 3.096 13.237 17.382 1.00 0.00 N ATOM 60 CA GLY A 7 3.663 13.655 16.113 1.00 0.00 C ATOM 61 C GLY A 7 2.605 14.107 15.126 1.00 0.00 C ATOM 62 O GLY A 7 1.546 14.595 15.521 1.00 0.00 O ATOM 0 H GLY A 7 2.079 13.162 17.393 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.367 14.469 16.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.229 12.829 15.682 1.00 0.00 H new ATOM 66 N MET A 8 2.892 13.946 13.838 1.00 0.00 N ATOM 67 CA MET A 8 1.957 14.342 12.792 1.00 0.00 C ATOM 68 C MET A 8 1.363 13.118 12.102 1.00 0.00 C ATOM 69 O MET A 8 2.052 12.123 11.881 1.00 0.00 O ATOM 70 CB MET A 8 2.656 15.232 11.763 1.00 0.00 C ATOM 71 CG MET A 8 3.188 16.532 12.345 1.00 0.00 C ATOM 72 SD MET A 8 4.492 17.262 11.338 1.00 0.00 S ATOM 73 CE MET A 8 5.032 18.599 12.400 1.00 0.00 C ATOM 0 H MET A 8 3.764 13.544 13.494 1.00 0.00 H new ATOM 0 HA MET A 8 1.147 14.904 13.257 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.482 14.678 11.317 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.957 15.463 10.959 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.368 17.244 12.443 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.570 16.346 13.349 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.839 19.147 11.914 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.197 19.274 12.588 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.389 18.191 13.346 1.00 0.00 H new ATOM 83 N SER A 9 0.079 13.199 11.765 1.00 0.00 N ATOM 84 CA SER A 9 -0.608 12.096 11.104 1.00 0.00 C ATOM 85 C SER A 9 0.003 11.818 9.734 1.00 0.00 C ATOM 86 O SER A 9 0.188 10.664 9.346 1.00 0.00 O ATOM 87 CB SER A 9 -2.098 12.411 10.956 1.00 0.00 C ATOM 88 OG SER A 9 -2.827 11.974 12.091 1.00 0.00 O ATOM 0 H SER A 9 -0.506 14.017 11.939 1.00 0.00 H new ATOM 0 HA SER A 9 -0.492 11.206 11.722 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.235 13.484 10.823 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.488 11.927 10.061 1.00 0.00 H new ATOM 0 HG SER A 9 -3.776 12.188 11.973 1.00 0.00 H new ATOM 94 N LYS A 10 0.314 12.884 9.005 1.00 0.00 N ATOM 95 CA LYS A 10 0.905 12.758 7.678 1.00 0.00 C ATOM 96 C LYS A 10 1.830 11.547 7.607 1.00 0.00 C ATOM 97 O LYS A 10 1.485 10.522 7.020 1.00 0.00 O ATOM 98 CB LYS A 10 1.681 14.027 7.320 1.00 0.00 C ATOM 99 CG LYS A 10 0.842 15.292 7.383 1.00 0.00 C ATOM 100 CD LYS A 10 -0.223 15.308 6.299 1.00 0.00 C ATOM 101 CE LYS A 10 -1.426 16.143 6.711 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.196 17.596 6.484 1.00 0.00 N ATOM 0 H LYS A 10 0.167 13.846 9.311 1.00 0.00 H new ATOM 0 HA LYS A 10 0.097 12.619 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.528 14.129 7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.089 13.922 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.368 15.367 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.487 16.164 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.200 15.708 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.543 14.288 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.302 15.821 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.644 15.970 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.038 18.131 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.376 17.909 7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.013 17.765 5.474 1.00 0.00 H new ATOM 116 N LYS A 11 3.008 11.672 8.211 1.00 0.00 N ATOM 117 CA LYS A 11 3.982 10.587 8.220 1.00 0.00 C ATOM 118 C LYS A 11 3.355 9.297 8.738 1.00 0.00 C ATOM 119 O LYS A 11 2.385 9.310 9.495 1.00 0.00 O ATOM 120 CB LYS A 11 5.188 10.964 9.084 1.00 0.00 C ATOM 121 CG LYS A 11 5.009 10.633 10.555 1.00 0.00 C ATOM 122 CD LYS A 11 6.126 11.222 11.399 1.00 0.00 C ATOM 123 CE LYS A 11 6.007 12.735 11.504 1.00 0.00 C ATOM 124 NZ LYS A 11 6.639 13.423 10.345 1.00 0.00 N ATOM 0 H LYS A 11 3.311 12.514 8.700 1.00 0.00 H new ATOM 0 HA LYS A 11 4.314 10.422 7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.070 10.445 8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.378 12.032 8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.049 11.017 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.985 9.551 10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.099 10.784 12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.090 10.961 10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.955 13.013 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.477 13.073 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.341 14.109 10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.109 12.721 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.909 13.920 9.796 1.00 0.00 H new ATOM 138 N PRO A 12 3.922 8.154 8.322 1.00 0.00 N ATOM 139 CA PRO A 12 3.436 6.834 8.734 1.00 0.00 C ATOM 140 C PRO A 12 3.710 6.549 10.207 1.00 0.00 C ATOM 141 O PRO A 12 4.857 6.504 10.652 1.00 0.00 O ATOM 142 CB PRO A 12 4.229 5.871 7.847 1.00 0.00 C ATOM 143 CG PRO A 12 5.473 6.614 7.500 1.00 0.00 C ATOM 144 CD PRO A 12 5.082 8.063 7.419 1.00 0.00 C ATOM 0 HA PRO A 12 2.355 6.745 8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.455 4.944 8.373 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.666 5.601 6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.243 6.460 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.883 6.267 6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.893 8.717 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.822 8.353 6.401 1.00 0.00 H new ATOM 152 N PRO A 13 2.634 6.351 10.982 1.00 0.00 N ATOM 153 CA PRO A 13 2.733 6.066 12.417 1.00 0.00 C ATOM 154 C PRO A 13 3.309 4.681 12.694 1.00 0.00 C ATOM 155 O PRO A 13 3.360 3.831 11.806 1.00 0.00 O ATOM 156 CB PRO A 13 1.281 6.147 12.896 1.00 0.00 C ATOM 157 CG PRO A 13 0.466 5.841 11.687 1.00 0.00 C ATOM 158 CD PRO A 13 1.237 6.390 10.518 1.00 0.00 C ATOM 0 HA PRO A 13 3.403 6.760 12.925 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.087 5.432 13.695 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.049 7.136 13.290 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.311 4.767 11.582 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.520 6.300 11.755 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.094 5.785 9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.924 7.404 10.271 1.00 0.00 H new ATOM 166 N ASN A 14 3.740 4.462 13.932 1.00 0.00 N ATOM 167 CA ASN A 14 4.313 3.180 14.325 1.00 0.00 C ATOM 168 C ASN A 14 3.405 2.027 13.907 1.00 0.00 C ATOM 169 O ASN A 14 2.414 1.731 14.574 1.00 0.00 O ATOM 170 CB ASN A 14 4.540 3.142 15.838 1.00 0.00 C ATOM 171 CG ASN A 14 5.600 2.134 16.239 1.00 0.00 C ATOM 172 OD1 ASN A 14 6.230 1.507 15.387 1.00 0.00 O ATOM 173 ND2 ASN A 14 5.801 1.973 17.541 1.00 0.00 N ATOM 0 H ASN A 14 3.703 5.155 14.680 1.00 0.00 H new ATOM 0 HA ASN A 14 5.271 3.067 13.817 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.836 4.133 16.183 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.602 2.897 16.337 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.501 1.308 17.871 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.256 2.514 18.212 1.00 0.00 H new ATOM 180 N ARG A 15 3.751 1.381 12.799 1.00 0.00 N ATOM 181 CA ARG A 15 2.968 0.261 12.291 1.00 0.00 C ATOM 182 C ARG A 15 3.878 -0.854 11.783 1.00 0.00 C ATOM 183 O ARG A 15 4.476 -0.760 10.711 1.00 0.00 O ATOM 184 CB ARG A 15 2.040 0.728 11.168 1.00 0.00 C ATOM 185 CG ARG A 15 0.813 1.476 11.663 1.00 0.00 C ATOM 186 CD ARG A 15 -0.337 1.378 10.672 1.00 0.00 C ATOM 187 NE ARG A 15 -0.766 -0.003 10.466 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.981 -0.341 10.050 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.883 0.597 9.796 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.296 -1.619 9.886 1.00 0.00 N ATOM 0 H ARG A 15 4.569 1.614 12.235 1.00 0.00 H new ATOM 0 HA ARG A 15 2.367 -0.131 13.111 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.599 1.373 10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.718 -0.138 10.590 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.501 1.069 12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.066 2.524 11.826 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.179 1.969 11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.032 1.809 9.718 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.095 -0.749 10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.644 1.581 9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.815 0.335 9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.605 -2.344 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.230 -1.877 9.566 1.00 0.00 H new ATOM 204 N PRO A 16 3.985 -1.934 12.570 1.00 0.00 N ATOM 205 CA PRO A 16 4.820 -3.088 12.221 1.00 0.00 C ATOM 206 C PRO A 16 4.255 -3.879 11.046 1.00 0.00 C ATOM 207 O PRO A 16 3.598 -4.902 11.233 1.00 0.00 O ATOM 208 CB PRO A 16 4.803 -3.937 13.495 1.00 0.00 C ATOM 209 CG PRO A 16 3.534 -3.565 14.181 1.00 0.00 C ATOM 210 CD PRO A 16 3.300 -2.114 13.861 1.00 0.00 C ATOM 0 HA PRO A 16 5.819 -2.787 11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.830 -5.001 13.262 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.669 -3.726 14.123 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.706 -4.181 13.830 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.612 -3.720 15.257 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.237 -1.885 13.787 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.714 -1.461 14.630 1.00 0.00 H new ATOM 218 N GLY A 17 4.515 -3.397 9.835 1.00 0.00 N ATOM 219 CA GLY A 17 4.024 -4.072 8.647 1.00 0.00 C ATOM 220 C GLY A 17 3.905 -3.140 7.458 1.00 0.00 C ATOM 221 O GLY A 17 4.701 -3.213 6.521 1.00 0.00 O ATOM 0 H GLY A 17 5.057 -2.552 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.696 -4.893 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.049 -4.511 8.859 1.00 0.00 H new ATOM 225 N ILE A 18 2.908 -2.263 7.493 1.00 0.00 N ATOM 226 CA ILE A 18 2.687 -1.313 6.410 1.00 0.00 C ATOM 227 C ILE A 18 3.672 -0.152 6.487 1.00 0.00 C ATOM 228 O ILE A 18 4.035 0.298 7.575 1.00 0.00 O ATOM 229 CB ILE A 18 1.251 -0.756 6.433 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.245 -1.888 6.653 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.949 -0.016 5.138 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.168 -1.403 6.888 1.00 0.00 C ATOM 0 H ILE A 18 2.240 -2.190 8.260 1.00 0.00 H new ATOM 0 HA ILE A 18 2.842 -1.856 5.478 1.00 0.00 H new ATOM 0 HB ILE A 18 1.164 -0.052 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.255 -2.546 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.563 -2.485 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.069 0.372 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.649 0.811 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.051 -0.700 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.827 -2.259 7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.192 -0.769 7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.505 -0.831 6.023 1.00 0.00 H new ATOM 244 N THR A 19 4.102 0.332 5.326 1.00 0.00 N ATOM 245 CA THR A 19 5.044 1.441 5.261 1.00 0.00 C ATOM 246 C THR A 19 4.765 2.331 4.055 1.00 0.00 C ATOM 247 O THR A 19 5.062 1.963 2.918 1.00 0.00 O ATOM 248 CB THR A 19 6.499 0.939 5.189 1.00 0.00 C ATOM 249 OG1 THR A 19 6.841 0.252 6.398 1.00 0.00 O ATOM 250 CG2 THR A 19 7.461 2.097 4.968 1.00 0.00 C ATOM 0 H THR A 19 3.812 -0.028 4.417 1.00 0.00 H new ATOM 0 HA THR A 19 4.912 2.021 6.175 1.00 0.00 H new ATOM 0 HB THR A 19 6.582 0.253 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.767 -0.065 6.343 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.482 1.718 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.217 2.599 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.375 2.804 5.793 1.00 0.00 H new ATOM 258 N PHE A 20 4.193 3.503 4.310 1.00 0.00 N ATOM 259 CA PHE A 20 3.874 4.445 3.244 1.00 0.00 C ATOM 260 C PHE A 20 5.144 4.961 2.575 1.00 0.00 C ATOM 261 O PHE A 20 5.848 5.808 3.125 1.00 0.00 O ATOM 262 CB PHE A 20 3.063 5.619 3.799 1.00 0.00 C ATOM 263 CG PHE A 20 1.915 5.197 4.670 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.134 4.104 4.328 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.617 5.891 5.831 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.077 3.714 5.128 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.561 5.505 6.635 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.209 4.415 6.283 1.00 0.00 C ATOM 0 H PHE A 20 3.941 3.823 5.245 1.00 0.00 H new ATOM 0 HA PHE A 20 3.279 3.921 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.725 6.268 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.679 6.210 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.354 3.551 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.217 6.744 6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.525 2.862 4.850 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.339 6.055 7.537 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.034 4.111 6.910 1.00 0.00 H new ATOM 278 N GLU A 21 5.431 4.443 1.385 1.00 0.00 N ATOM 279 CA GLU A 21 6.617 4.850 0.641 1.00 0.00 C ATOM 280 C GLU A 21 6.355 4.819 -0.862 1.00 0.00 C ATOM 281 O GLU A 21 5.265 4.455 -1.304 1.00 0.00 O ATOM 282 CB GLU A 21 7.798 3.938 0.983 1.00 0.00 C ATOM 283 CG GLU A 21 8.552 4.361 2.232 1.00 0.00 C ATOM 284 CD GLU A 21 9.826 3.566 2.442 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.821 2.351 2.152 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.827 4.158 2.897 1.00 0.00 O ATOM 0 H GLU A 21 4.859 3.741 0.916 1.00 0.00 H new ATOM 0 HA GLU A 21 6.861 5.873 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.433 2.920 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.489 3.921 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.797 5.421 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.905 4.240 3.101 1.00 0.00 H new ATOM 293 N ILE A 22 7.360 5.203 -1.640 1.00 0.00 N ATOM 294 CA ILE A 22 7.239 5.219 -3.093 1.00 0.00 C ATOM 295 C ILE A 22 7.634 3.873 -3.692 1.00 0.00 C ATOM 296 O ILE A 22 8.802 3.489 -3.664 1.00 0.00 O ATOM 297 CB ILE A 22 8.111 6.323 -3.719 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.632 7.702 -3.261 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.083 6.223 -5.237 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.148 7.921 -3.453 1.00 0.00 C ATOM 0 H ILE A 22 8.268 5.508 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 22 6.193 5.422 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 22 9.140 6.187 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.877 7.831 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.178 8.468 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.704 7.010 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.467 5.250 -5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.058 6.337 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.880 8.919 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.900 7.825 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.593 7.177 -2.881 1.00 0.00 H new ATOM 312 N GLY A 23 6.651 3.162 -4.236 1.00 0.00 N ATOM 313 CA GLY A 23 6.916 1.867 -4.836 1.00 0.00 C ATOM 314 C GLY A 23 6.634 0.719 -3.887 1.00 0.00 C ATOM 315 O GLY A 23 6.732 -0.447 -4.267 1.00 0.00 O ATOM 0 H GLY A 23 5.676 3.459 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.304 1.753 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.958 1.824 -5.154 1.00 0.00 H new ATOM 319 N ALA A 24 6.285 1.050 -2.649 1.00 0.00 N ATOM 320 CA ALA A 24 5.987 0.038 -1.643 1.00 0.00 C ATOM 321 C ALA A 24 4.804 -0.826 -2.066 1.00 0.00 C ATOM 322 O ALA A 24 3.849 -0.335 -2.668 1.00 0.00 O ATOM 323 CB ALA A 24 5.709 0.694 -0.299 1.00 0.00 C ATOM 0 H ALA A 24 6.202 2.011 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 24 6.859 -0.608 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.488 -0.074 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.584 1.262 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.855 1.365 -0.391 1.00 0.00 H new ATOM 329 N ARG A 25 4.875 -2.115 -1.750 1.00 0.00 N ATOM 330 CA ARG A 25 3.810 -3.047 -2.100 1.00 0.00 C ATOM 331 C ARG A 25 2.932 -3.348 -0.889 1.00 0.00 C ATOM 332 O ARG A 25 3.411 -3.846 0.131 1.00 0.00 O ATOM 333 CB ARG A 25 4.401 -4.346 -2.650 1.00 0.00 C ATOM 334 CG ARG A 25 5.318 -4.140 -3.844 1.00 0.00 C ATOM 335 CD ARG A 25 6.760 -3.925 -3.409 1.00 0.00 C ATOM 336 NE ARG A 25 7.591 -3.421 -4.499 1.00 0.00 N ATOM 337 CZ ARG A 25 8.910 -3.574 -4.548 1.00 0.00 C ATOM 338 NH1 ARG A 25 9.543 -4.215 -3.575 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.597 -3.087 -5.573 1.00 0.00 N ATOM 0 H ARG A 25 5.659 -2.538 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 25 3.192 -2.583 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.957 -4.846 -1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.588 -5.012 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.261 -5.007 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.979 -3.279 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.787 -3.221 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.173 -4.865 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 25 7.134 -2.925 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.017 -4.592 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.556 -4.331 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.113 -2.595 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.610 -3.205 -5.610 1.00 0.00 H new ATOM 353 N LEU A 26 1.644 -3.043 -1.008 1.00 0.00 N ATOM 354 CA LEU A 26 0.698 -3.280 0.077 1.00 0.00 C ATOM 355 C LEU A 26 -0.683 -3.626 -0.471 1.00 0.00 C ATOM 356 O LEU A 26 -0.885 -3.673 -1.683 1.00 0.00 O ATOM 357 CB LEU A 26 0.607 -2.049 0.980 1.00 0.00 C ATOM 358 CG LEU A 26 0.447 -0.705 0.268 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.726 -0.333 -0.466 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.729 -0.750 -0.697 1.00 0.00 C ATOM 0 H LEU A 26 1.231 -2.631 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 26 1.059 -4.126 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.237 -2.181 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.506 -2.007 1.595 1.00 0.00 H new ATOM 0 HG LEU A 26 0.248 0.060 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.593 0.626 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.547 -0.259 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.957 -1.099 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.828 0.215 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.559 -1.527 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.644 -0.970 -0.146 1.00 0.00 H new ATOM 372 N GLU A 27 -1.629 -3.865 0.432 1.00 0.00 N ATOM 373 CA GLU A 27 -2.991 -4.205 0.038 1.00 0.00 C ATOM 374 C GLU A 27 -3.941 -3.041 0.303 1.00 0.00 C ATOM 375 O GLU A 27 -3.761 -2.284 1.257 1.00 0.00 O ATOM 376 CB GLU A 27 -3.468 -5.449 0.791 1.00 0.00 C ATOM 377 CG GLU A 27 -2.668 -6.700 0.469 1.00 0.00 C ATOM 378 CD GLU A 27 -3.192 -7.928 1.188 1.00 0.00 C ATOM 379 OE1 GLU A 27 -2.756 -8.176 2.332 1.00 0.00 O ATOM 380 OE2 GLU A 27 -4.036 -8.641 0.607 1.00 0.00 O ATOM 0 H GLU A 27 -1.477 -3.829 1.440 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.991 -4.414 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.412 -5.258 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.517 -5.627 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.692 -6.875 -0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.625 -6.540 0.743 1.00 0.00 H new ATOM 387 N ALA A 28 -4.952 -2.904 -0.548 1.00 0.00 N ATOM 388 CA ALA A 28 -5.931 -1.833 -0.406 1.00 0.00 C ATOM 389 C ALA A 28 -7.345 -2.393 -0.298 1.00 0.00 C ATOM 390 O ALA A 28 -7.694 -3.361 -0.975 1.00 0.00 O ATOM 391 CB ALA A 28 -5.832 -0.868 -1.577 1.00 0.00 C ATOM 0 H ALA A 28 -5.115 -3.521 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.710 -1.293 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.569 -0.074 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.833 -0.434 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.024 -1.403 -2.507 1.00 0.00 H new ATOM 397 N LEU A 29 -8.156 -1.780 0.557 1.00 0.00 N ATOM 398 CA LEU A 29 -9.533 -2.218 0.754 1.00 0.00 C ATOM 399 C LEU A 29 -10.472 -1.521 -0.225 1.00 0.00 C ATOM 400 O LEU A 29 -10.693 -0.313 -0.135 1.00 0.00 O ATOM 401 CB LEU A 29 -9.978 -1.939 2.191 1.00 0.00 C ATOM 402 CG LEU A 29 -11.259 -2.639 2.646 1.00 0.00 C ATOM 403 CD1 LEU A 29 -10.984 -4.100 2.966 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.855 -1.929 3.853 1.00 0.00 C ATOM 0 H LEU A 29 -7.884 -0.978 1.125 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.576 -3.291 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.171 -2.230 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.115 -0.864 2.305 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.982 -2.597 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.907 -4.582 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.604 -4.602 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.244 -4.165 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.766 -2.441 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.136 -1.939 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.090 -0.898 3.589 1.00 0.00 H new ATOM 416 N ASP A 30 -11.023 -2.290 -1.158 1.00 0.00 N ATOM 417 CA ASP A 30 -11.941 -1.747 -2.152 1.00 0.00 C ATOM 418 C ASP A 30 -13.297 -1.435 -1.527 1.00 0.00 C ATOM 419 O ASP A 30 -13.615 -1.915 -0.439 1.00 0.00 O ATOM 420 CB ASP A 30 -12.114 -2.732 -3.310 1.00 0.00 C ATOM 421 CG ASP A 30 -10.874 -2.828 -4.177 1.00 0.00 C ATOM 422 OD1 ASP A 30 -9.907 -3.499 -3.758 1.00 0.00 O ATOM 423 OD2 ASP A 30 -10.871 -2.235 -5.276 1.00 0.00 O ATOM 0 H ASP A 30 -10.850 -3.291 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.515 -0.819 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.353 -3.718 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.960 -2.422 -3.924 1.00 0.00 H new ATOM 428 N TYR A 31 -14.090 -0.626 -2.221 1.00 0.00 N ATOM 429 CA TYR A 31 -15.411 -0.247 -1.732 1.00 0.00 C ATOM 430 C TYR A 31 -16.224 -1.479 -1.348 1.00 0.00 C ATOM 431 O TYR A 31 -17.162 -1.396 -0.553 1.00 0.00 O ATOM 432 CB TYR A 31 -16.158 0.560 -2.795 1.00 0.00 C ATOM 433 CG TYR A 31 -15.960 0.041 -4.201 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.847 0.407 -4.947 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.886 -0.816 -4.783 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.662 -0.065 -6.232 1.00 0.00 C ATOM 437 CE2 TYR A 31 -16.709 -1.294 -6.067 1.00 0.00 C ATOM 438 CZ TYR A 31 -15.595 -0.915 -6.788 1.00 0.00 C ATOM 439 OH TYR A 31 -15.416 -1.388 -8.067 1.00 0.00 O ATOM 0 H TYR A 31 -13.842 -0.220 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.279 0.370 -0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.223 0.554 -2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.827 1.598 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.114 1.072 -4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.759 -1.114 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.791 0.230 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.438 -1.960 -6.504 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.163 -1.975 -8.306 1.00 0.00 H new ATOM 449 N LEU A 32 -15.858 -2.622 -1.916 1.00 0.00 N ATOM 450 CA LEU A 32 -16.552 -3.874 -1.634 1.00 0.00 C ATOM 451 C LEU A 32 -15.847 -4.649 -0.525 1.00 0.00 C ATOM 452 O LEU A 32 -16.012 -5.863 -0.403 1.00 0.00 O ATOM 453 CB LEU A 32 -16.634 -4.731 -2.898 1.00 0.00 C ATOM 454 CG LEU A 32 -17.352 -4.100 -4.092 1.00 0.00 C ATOM 455 CD1 LEU A 32 -17.173 -4.955 -5.336 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.830 -3.906 -3.784 1.00 0.00 C ATOM 0 H LEU A 32 -15.084 -2.708 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.561 -3.634 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.620 -4.989 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.139 -5.664 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.909 -3.122 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.691 -4.490 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.112 -5.042 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.588 -5.947 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.325 -3.456 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.286 -4.872 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.939 -3.251 -2.920 1.00 0.00 H new ATOM 468 N GLN A 33 -15.064 -3.940 0.280 1.00 0.00 N ATOM 469 CA GLN A 33 -14.335 -4.562 1.379 1.00 0.00 C ATOM 470 C GLN A 33 -13.514 -5.748 0.886 1.00 0.00 C ATOM 471 O GLN A 33 -13.442 -6.785 1.547 1.00 0.00 O ATOM 472 CB GLN A 33 -15.307 -5.016 2.470 1.00 0.00 C ATOM 473 CG GLN A 33 -16.066 -3.873 3.124 1.00 0.00 C ATOM 474 CD GLN A 33 -16.692 -4.270 4.446 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.314 -5.275 5.049 1.00 0.00 O ATOM 476 NE2 GLN A 33 -17.656 -3.480 4.905 1.00 0.00 N ATOM 0 H GLN A 33 -14.918 -2.934 0.192 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.653 -3.821 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.022 -5.716 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.753 -5.558 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.387 -3.036 3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.846 -3.525 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.938 -2.657 4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.114 -3.696 5.790 1.00 0.00 H new ATOM 485 N LYS A 34 -12.897 -5.590 -0.280 1.00 0.00 N ATOM 486 CA LYS A 34 -12.080 -6.648 -0.863 1.00 0.00 C ATOM 487 C LYS A 34 -10.597 -6.301 -0.773 1.00 0.00 C ATOM 488 O LYS A 34 -10.192 -5.182 -1.086 1.00 0.00 O ATOM 489 CB LYS A 34 -12.473 -6.878 -2.324 1.00 0.00 C ATOM 490 CG LYS A 34 -13.952 -7.164 -2.518 1.00 0.00 C ATOM 491 CD LYS A 34 -14.322 -8.550 -2.018 1.00 0.00 C ATOM 492 CE LYS A 34 -15.589 -9.063 -2.685 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.807 -8.393 -2.152 1.00 0.00 N ATOM 0 H LYS A 34 -12.947 -4.739 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.257 -7.563 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.202 -5.998 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.895 -7.713 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.541 -6.416 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.205 -7.078 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.501 -9.240 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.464 -8.522 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.525 -8.898 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.670 -10.139 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.331 -9.057 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.529 -7.561 -1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.412 -8.093 -2.943 1.00 0.00 H new ATOM 507 N TRP A 35 -9.793 -7.268 -0.346 1.00 0.00 N ATOM 508 CA TRP A 35 -8.355 -7.065 -0.217 1.00 0.00 C ATOM 509 C TRP A 35 -7.629 -7.482 -1.492 1.00 0.00 C ATOM 510 O TRP A 35 -7.871 -8.564 -2.029 1.00 0.00 O ATOM 511 CB TRP A 35 -7.812 -7.855 0.975 1.00 0.00 C ATOM 512 CG TRP A 35 -8.389 -7.419 2.288 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.174 -8.161 3.125 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.227 -6.142 2.914 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.510 -7.420 4.233 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.940 -6.179 4.128 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.547 -4.971 2.568 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.993 -5.090 4.994 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.600 -3.891 3.428 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.318 -3.956 4.630 1.00 0.00 C ATOM 0 H TRP A 35 -10.113 -8.200 -0.083 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.177 -6.002 -0.051 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.024 -8.914 0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.728 -7.748 1.009 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.485 -9.179 2.943 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.090 -7.742 5.008 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.990 -4.911 1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.547 -5.138 5.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.079 -2.981 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.339 -3.095 5.282 1.00 0.00 H new ATOM 531 N TYR A 36 -6.740 -6.620 -1.971 1.00 0.00 N ATOM 532 CA TYR A 36 -5.981 -6.899 -3.184 1.00 0.00 C ATOM 533 C TYR A 36 -4.621 -6.210 -3.146 1.00 0.00 C ATOM 534 O TYR A 36 -4.431 -5.190 -2.483 1.00 0.00 O ATOM 535 CB TYR A 36 -6.763 -6.441 -4.416 1.00 0.00 C ATOM 536 CG TYR A 36 -8.073 -7.172 -4.609 1.00 0.00 C ATOM 537 CD1 TYR A 36 -8.114 -8.559 -4.673 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.269 -6.475 -4.725 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.307 -9.231 -4.850 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.468 -7.139 -4.900 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.482 -8.517 -4.963 1.00 0.00 C ATOM 542 OH TYR A 36 -11.673 -9.183 -5.137 1.00 0.00 O ATOM 0 H TYR A 36 -6.527 -5.722 -1.538 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.821 -7.976 -3.243 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.962 -5.372 -4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.144 -6.582 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.197 -9.122 -4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.262 -5.396 -4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.320 -10.310 -4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.389 -6.582 -4.987 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.405 -8.534 -5.197 1.00 0.00 H new ATOM 552 N PRO A 37 -3.650 -6.779 -3.877 1.00 0.00 N ATOM 553 CA PRO A 37 -2.290 -6.236 -3.945 1.00 0.00 C ATOM 554 C PRO A 37 -2.229 -4.919 -4.711 1.00 0.00 C ATOM 555 O PRO A 37 -2.926 -4.737 -5.709 1.00 0.00 O ATOM 556 CB PRO A 37 -1.512 -7.324 -4.689 1.00 0.00 C ATOM 557 CG PRO A 37 -2.538 -8.038 -5.500 1.00 0.00 C ATOM 558 CD PRO A 37 -3.806 -7.995 -4.692 1.00 0.00 C ATOM 0 HA PRO A 37 -1.892 -6.008 -2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.737 -6.893 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.016 -8.001 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.675 -7.556 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.235 -9.066 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.688 -7.940 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.917 -8.884 -4.071 1.00 0.00 H new ATOM 566 N SER A 38 -1.390 -4.003 -4.238 1.00 0.00 N ATOM 567 CA SER A 38 -1.240 -2.701 -4.876 1.00 0.00 C ATOM 568 C SER A 38 0.112 -2.082 -4.538 1.00 0.00 C ATOM 569 O SER A 38 0.867 -2.618 -3.726 1.00 0.00 O ATOM 570 CB SER A 38 -2.367 -1.763 -4.440 1.00 0.00 C ATOM 571 OG SER A 38 -3.617 -2.195 -4.949 1.00 0.00 O ATOM 0 H SER A 38 -0.804 -4.139 -3.415 1.00 0.00 H new ATOM 0 HA SER A 38 -1.294 -2.845 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.409 -1.721 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.158 -0.752 -4.790 1.00 0.00 H new ATOM 0 HG SER A 38 -3.512 -3.072 -5.374 1.00 0.00 H new ATOM 577 N ARG A 39 0.411 -0.949 -5.165 1.00 0.00 N ATOM 578 CA ARG A 39 1.673 -0.257 -4.932 1.00 0.00 C ATOM 579 C ARG A 39 1.451 1.247 -4.799 1.00 0.00 C ATOM 580 O ARG A 39 0.395 1.764 -5.167 1.00 0.00 O ATOM 581 CB ARG A 39 2.653 -0.540 -6.073 1.00 0.00 C ATOM 582 CG ARG A 39 3.568 -1.724 -5.809 1.00 0.00 C ATOM 583 CD ARG A 39 4.559 -1.926 -6.945 1.00 0.00 C ATOM 584 NE ARG A 39 5.560 -0.863 -6.993 1.00 0.00 N ATOM 585 CZ ARG A 39 6.453 -0.739 -7.969 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.469 -1.606 -8.972 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.332 0.254 -7.943 1.00 0.00 N ATOM 0 H ARG A 39 -0.203 -0.491 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 39 2.096 -0.629 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.089 -0.724 -6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.262 0.347 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.109 -1.566 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.970 -2.626 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.057 -2.888 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.022 -1.961 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 39 5.574 -0.179 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.795 -2.371 -8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.156 -1.508 -9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.323 0.923 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.017 0.348 -8.693 1.00 0.00 H new ATOM 601 N ILE A 40 2.452 1.943 -4.272 1.00 0.00 N ATOM 602 CA ILE A 40 2.366 3.387 -4.091 1.00 0.00 C ATOM 603 C ILE A 40 3.136 4.124 -5.182 1.00 0.00 C ATOM 604 O ILE A 40 4.357 4.254 -5.113 1.00 0.00 O ATOM 605 CB ILE A 40 2.911 3.816 -2.715 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.962 3.362 -1.604 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.107 5.324 -2.670 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.583 3.407 -0.225 1.00 0.00 C ATOM 0 H ILE A 40 3.332 1.531 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 40 1.310 3.650 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 40 3.879 3.340 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.074 3.994 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.632 2.344 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.492 5.612 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.817 5.622 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.152 5.820 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.854 3.072 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.455 2.753 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.888 4.428 0.004 1.00 0.00 H new ATOM 620 N GLU A 41 2.411 4.606 -6.187 1.00 0.00 N ATOM 621 CA GLU A 41 3.026 5.332 -7.292 1.00 0.00 C ATOM 622 C GLU A 41 3.591 6.668 -6.818 1.00 0.00 C ATOM 623 O GLU A 41 4.752 6.989 -7.070 1.00 0.00 O ATOM 624 CB GLU A 41 2.007 5.564 -8.409 1.00 0.00 C ATOM 625 CG GLU A 41 1.597 4.292 -9.133 1.00 0.00 C ATOM 626 CD GLU A 41 2.777 3.395 -9.450 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.667 3.833 -10.209 1.00 0.00 O ATOM 628 OE2 GLU A 41 2.812 2.256 -8.940 1.00 0.00 O ATOM 0 H GLU A 41 1.398 4.507 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 41 3.846 4.727 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.119 6.034 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.426 6.264 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.883 3.743 -8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.086 4.554 -10.059 1.00 0.00 H new ATOM 635 N LYS A 42 2.760 7.444 -6.130 1.00 0.00 N ATOM 636 CA LYS A 42 3.174 8.746 -5.620 1.00 0.00 C ATOM 637 C LYS A 42 2.630 8.977 -4.214 1.00 0.00 C ATOM 638 O LYS A 42 1.763 8.239 -3.745 1.00 0.00 O ATOM 639 CB LYS A 42 2.694 9.859 -6.554 1.00 0.00 C ATOM 640 CG LYS A 42 3.413 9.883 -7.892 1.00 0.00 C ATOM 641 CD LYS A 42 2.563 10.534 -8.970 1.00 0.00 C ATOM 642 CE LYS A 42 3.145 10.300 -10.355 1.00 0.00 C ATOM 643 NZ LYS A 42 3.218 8.850 -10.689 1.00 0.00 N ATOM 0 H LYS A 42 1.795 7.194 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 42 4.263 8.762 -5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.625 9.740 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.831 10.821 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.353 10.426 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.663 8.865 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.550 10.134 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.491 11.605 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.534 10.813 -11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.143 10.735 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.238 8.732 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.082 8.442 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.386 8.362 -10.301 1.00 0.00 H new ATOM 657 N ILE A 43 3.142 10.006 -3.548 1.00 0.00 N ATOM 658 CA ILE A 43 2.705 10.335 -2.197 1.00 0.00 C ATOM 659 C ILE A 43 2.733 11.841 -1.961 1.00 0.00 C ATOM 660 O ILE A 43 3.752 12.495 -2.182 1.00 0.00 O ATOM 661 CB ILE A 43 3.583 9.644 -1.137 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.497 8.124 -1.283 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.162 10.073 0.261 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.410 7.373 -0.339 1.00 0.00 C ATOM 0 H ILE A 43 3.860 10.626 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 43 1.681 9.974 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 43 4.619 9.946 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.468 7.808 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.745 7.851 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.792 9.576 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.272 11.153 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.121 9.797 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.296 6.301 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.444 7.660 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.148 7.616 0.691 1.00 0.00 H new ATOM 676 N ASP A 44 1.608 12.385 -1.511 1.00 0.00 N ATOM 677 CA ASP A 44 1.504 13.815 -1.242 1.00 0.00 C ATOM 678 C ASP A 44 1.426 14.081 0.258 1.00 0.00 C ATOM 679 O ASP A 44 0.391 13.856 0.886 1.00 0.00 O ATOM 680 CB ASP A 44 0.275 14.398 -1.941 1.00 0.00 C ATOM 681 CG ASP A 44 0.463 15.854 -2.322 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.616 16.333 -2.287 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.543 16.513 -2.656 1.00 0.00 O ATOM 0 H ASP A 44 0.755 11.858 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 44 2.399 14.300 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.060 13.816 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.591 14.306 -1.285 1.00 0.00 H new ATOM 688 N TYR A 45 2.526 14.561 0.826 1.00 0.00 N ATOM 689 CA TYR A 45 2.584 14.855 2.254 1.00 0.00 C ATOM 690 C TYR A 45 1.890 16.177 2.566 1.00 0.00 C ATOM 691 O TYR A 45 1.390 16.382 3.671 1.00 0.00 O ATOM 692 CB TYR A 45 4.037 14.904 2.727 1.00 0.00 C ATOM 693 CG TYR A 45 4.687 13.543 2.829 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.906 12.769 1.696 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.083 13.030 4.059 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.499 11.524 1.785 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.678 11.787 4.157 1.00 0.00 C ATOM 698 CZ TYR A 45 5.883 11.038 3.017 1.00 0.00 C ATOM 699 OH TYR A 45 6.475 9.799 3.109 1.00 0.00 O ATOM 0 H TYR A 45 3.390 14.755 0.320 1.00 0.00 H new ATOM 0 HA TYR A 45 2.063 14.058 2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.614 15.522 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.077 15.390 3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.608 13.147 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.923 13.613 4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.661 10.935 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.981 11.404 5.120 1.00 0.00 H new ATOM 0 HH TYR A 45 6.686 9.606 4.046 1.00 0.00 H new ATOM 709 N GLU A 46 1.865 17.071 1.582 1.00 0.00 N ATOM 710 CA GLU A 46 1.233 18.375 1.751 1.00 0.00 C ATOM 711 C GLU A 46 -0.285 18.237 1.830 1.00 0.00 C ATOM 712 O GLU A 46 -0.950 18.993 2.537 1.00 0.00 O ATOM 713 CB GLU A 46 1.612 19.304 0.596 1.00 0.00 C ATOM 714 CG GLU A 46 2.959 19.983 0.779 1.00 0.00 C ATOM 715 CD GLU A 46 3.064 20.727 2.097 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.547 21.861 2.180 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.662 20.176 3.044 1.00 0.00 O ATOM 0 H GLU A 46 2.274 16.917 0.661 1.00 0.00 H new ATOM 0 HA GLU A 46 1.591 18.805 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.626 18.731 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.842 20.067 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.749 19.234 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.124 20.681 -0.042 1.00 0.00 H new ATOM 724 N GLU A 47 -0.824 17.267 1.099 1.00 0.00 N ATOM 725 CA GLU A 47 -2.263 17.032 1.085 1.00 0.00 C ATOM 726 C GLU A 47 -2.642 15.920 2.059 1.00 0.00 C ATOM 727 O GLU A 47 -3.639 16.018 2.773 1.00 0.00 O ATOM 728 CB GLU A 47 -2.730 16.670 -0.326 1.00 0.00 C ATOM 729 CG GLU A 47 -2.888 17.872 -1.242 1.00 0.00 C ATOM 730 CD GLU A 47 -3.608 19.025 -0.572 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.779 18.844 -0.178 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.001 20.109 -0.441 1.00 0.00 O ATOM 0 H GLU A 47 -0.287 16.632 0.509 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.758 17.951 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.015 15.977 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.683 16.146 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.904 18.205 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.438 17.574 -2.134 1.00 0.00 H new ATOM 739 N GLY A 48 -1.838 14.861 2.080 1.00 0.00 N ATOM 740 CA GLY A 48 -2.106 13.745 2.969 1.00 0.00 C ATOM 741 C GLY A 48 -2.665 12.541 2.236 1.00 0.00 C ATOM 742 O GLY A 48 -3.398 11.738 2.813 1.00 0.00 O ATOM 0 H GLY A 48 -1.007 14.756 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.185 13.461 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.812 14.058 3.738 1.00 0.00 H new ATOM 746 N LYS A 49 -2.319 12.415 0.959 1.00 0.00 N ATOM 747 CA LYS A 49 -2.791 11.301 0.144 1.00 0.00 C ATOM 748 C LYS A 49 -1.631 10.632 -0.586 1.00 0.00 C ATOM 749 O LYS A 49 -0.473 11.011 -0.411 1.00 0.00 O ATOM 750 CB LYS A 49 -3.831 11.787 -0.867 1.00 0.00 C ATOM 751 CG LYS A 49 -3.346 12.934 -1.736 1.00 0.00 C ATOM 752 CD LYS A 49 -4.123 13.015 -3.039 1.00 0.00 C ATOM 753 CE LYS A 49 -3.348 13.775 -4.105 1.00 0.00 C ATOM 754 NZ LYS A 49 -3.973 13.636 -5.449 1.00 0.00 N ATOM 0 H LYS A 49 -1.713 13.071 0.466 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.252 10.568 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.119 10.954 -1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.727 12.102 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.449 13.873 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.285 12.805 -1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.343 12.009 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.080 13.507 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.298 14.830 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.323 13.406 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.685 14.434 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.663 12.744 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.008 13.632 -5.352 1.00 0.00 H new ATOM 768 N MET A 50 -1.950 9.635 -1.405 1.00 0.00 N ATOM 769 CA MET A 50 -0.934 8.915 -2.164 1.00 0.00 C ATOM 770 C MET A 50 -1.555 8.192 -3.354 1.00 0.00 C ATOM 771 O MET A 50 -2.650 7.636 -3.254 1.00 0.00 O ATOM 772 CB MET A 50 -0.210 7.912 -1.264 1.00 0.00 C ATOM 773 CG MET A 50 -1.103 7.296 -0.199 1.00 0.00 C ATOM 774 SD MET A 50 -0.355 5.856 0.587 1.00 0.00 S ATOM 775 CE MET A 50 -1.619 4.620 0.302 1.00 0.00 C ATOM 0 H MET A 50 -2.903 9.307 -1.560 1.00 0.00 H new ATOM 0 HA MET A 50 -0.213 9.642 -2.539 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.206 7.116 -1.882 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.629 8.411 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.325 8.045 0.561 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.053 7.007 -0.649 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.279 3.657 0.684 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.535 4.912 0.815 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.813 4.538 -0.767 1.00 0.00 H new ATOM 785 N LEU A 51 -0.851 8.202 -4.480 1.00 0.00 N ATOM 786 CA LEU A 51 -1.334 7.546 -5.691 1.00 0.00 C ATOM 787 C LEU A 51 -1.009 6.056 -5.670 1.00 0.00 C ATOM 788 O LEU A 51 0.148 5.660 -5.814 1.00 0.00 O ATOM 789 CB LEU A 51 -0.714 8.197 -6.929 1.00 0.00 C ATOM 790 CG LEU A 51 -1.525 8.090 -8.221 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.672 8.473 -9.420 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.080 6.682 -8.387 1.00 0.00 C ATOM 0 H LEU A 51 0.056 8.657 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.417 7.662 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.547 9.253 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.264 7.748 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.363 8.785 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.266 8.391 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.323 9.499 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.186 7.804 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.654 6.624 -9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.257 5.969 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.727 6.444 -7.543 1.00 0.00 H new ATOM 804 N VAL A 52 -2.038 5.234 -5.491 1.00 0.00 N ATOM 805 CA VAL A 52 -1.863 3.787 -5.454 1.00 0.00 C ATOM 806 C VAL A 52 -2.506 3.125 -6.668 1.00 0.00 C ATOM 807 O VAL A 52 -3.579 3.531 -7.115 1.00 0.00 O ATOM 808 CB VAL A 52 -2.466 3.181 -4.173 1.00 0.00 C ATOM 809 CG1 VAL A 52 -3.956 3.476 -4.092 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.207 1.683 -4.120 1.00 0.00 C ATOM 0 H VAL A 52 -3.002 5.545 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.790 3.597 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.982 3.641 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.364 3.040 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.113 4.555 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.460 3.045 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.640 1.271 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.663 1.204 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.133 1.499 -4.127 1.00 0.00 H new ATOM 820 N HIS A 53 -1.843 2.101 -7.197 1.00 0.00 N ATOM 821 CA HIS A 53 -2.351 1.380 -8.359 1.00 0.00 C ATOM 822 C HIS A 53 -2.893 0.013 -7.956 1.00 0.00 C ATOM 823 O HIS A 53 -2.347 -0.647 -7.072 1.00 0.00 O ATOM 824 CB HIS A 53 -1.248 1.217 -9.405 1.00 0.00 C ATOM 825 CG HIS A 53 -0.476 -0.060 -9.268 1.00 0.00 C ATOM 826 ND1 HIS A 53 -1.010 -1.297 -9.560 1.00 0.00 N ATOM 827 CD2 HIS A 53 0.797 -0.286 -8.867 1.00 0.00 C ATOM 828 CE1 HIS A 53 -0.100 -2.229 -9.344 1.00 0.00 C ATOM 829 NE2 HIS A 53 1.006 -1.642 -8.924 1.00 0.00 N ATOM 0 H HIS A 53 -0.954 1.752 -6.840 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.167 1.961 -8.789 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.693 1.258 -10.399 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.559 2.058 -9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.514 0.461 -8.560 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.237 -3.291 -9.487 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.875 -2.119 -8.681 1.00 0.00 H new ATOM 837 N PHE A 54 -3.971 -0.407 -8.610 1.00 0.00 N ATOM 838 CA PHE A 54 -4.589 -1.695 -8.318 1.00 0.00 C ATOM 839 C PHE A 54 -4.235 -2.723 -9.389 1.00 0.00 C ATOM 840 O PHE A 54 -4.226 -2.415 -10.580 1.00 0.00 O ATOM 841 CB PHE A 54 -6.109 -1.546 -8.222 1.00 0.00 C ATOM 842 CG PHE A 54 -6.570 -0.938 -6.928 1.00 0.00 C ATOM 843 CD1 PHE A 54 -6.460 0.426 -6.710 1.00 0.00 C ATOM 844 CD2 PHE A 54 -7.115 -1.730 -5.930 1.00 0.00 C ATOM 845 CE1 PHE A 54 -6.883 0.988 -5.521 1.00 0.00 C ATOM 846 CE2 PHE A 54 -7.541 -1.173 -4.739 1.00 0.00 C ATOM 847 CZ PHE A 54 -7.425 0.188 -4.534 1.00 0.00 C ATOM 0 H PHE A 54 -4.435 0.126 -9.346 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.204 -2.045 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.459 -0.929 -9.049 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.571 -2.527 -8.339 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.039 1.057 -7.479 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.208 -2.795 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.790 2.052 -5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.964 -1.801 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.757 0.626 -3.604 1.00 0.00 H new ATOM 857 N GLU A 55 -3.943 -3.945 -8.955 1.00 0.00 N ATOM 858 CA GLU A 55 -3.586 -5.017 -9.876 1.00 0.00 C ATOM 859 C GLU A 55 -4.835 -5.665 -10.466 1.00 0.00 C ATOM 860 O GLU A 55 -5.003 -5.718 -11.685 1.00 0.00 O ATOM 861 CB GLU A 55 -2.740 -6.073 -9.161 1.00 0.00 C ATOM 862 CG GLU A 55 -1.433 -5.533 -8.606 1.00 0.00 C ATOM 863 CD GLU A 55 -0.291 -5.637 -9.597 1.00 0.00 C ATOM 864 OE1 GLU A 55 -0.550 -5.532 -10.814 1.00 0.00 O ATOM 865 OE2 GLU A 55 0.863 -5.825 -9.157 1.00 0.00 O ATOM 0 H GLU A 55 -3.947 -4.217 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.003 -4.584 -10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.322 -6.501 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.522 -6.884 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.567 -4.490 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.174 -6.081 -7.700 1.00 0.00 H new ATOM 872 N ARG A 56 -5.708 -6.157 -9.594 1.00 0.00 N ATOM 873 CA ARG A 56 -6.941 -6.803 -10.028 1.00 0.00 C ATOM 874 C ARG A 56 -7.667 -5.949 -11.064 1.00 0.00 C ATOM 875 O ARG A 56 -7.948 -6.406 -12.172 1.00 0.00 O ATOM 876 CB ARG A 56 -7.858 -7.058 -8.830 1.00 0.00 C ATOM 877 CG ARG A 56 -7.355 -8.152 -7.901 1.00 0.00 C ATOM 878 CD ARG A 56 -7.878 -9.518 -8.314 1.00 0.00 C ATOM 879 NE ARG A 56 -7.083 -10.107 -9.389 1.00 0.00 N ATOM 880 CZ ARG A 56 -7.194 -11.372 -9.777 1.00 0.00 C ATOM 881 NH1 ARG A 56 -8.064 -12.177 -9.183 1.00 0.00 N ATOM 882 NH2 ARG A 56 -6.435 -11.834 -10.763 1.00 0.00 N ATOM 0 H ARG A 56 -5.585 -6.121 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.679 -7.757 -10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.967 -6.133 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.850 -7.328 -9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.265 -8.162 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.667 -7.935 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.872 -10.184 -7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.915 -9.426 -8.638 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.405 -9.514 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.650 -11.825 -8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.147 -13.148 -9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.766 -11.217 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.521 -12.806 -11.060 1.00 0.00 H new ATOM 896 N TRP A 57 -7.966 -4.709 -10.695 1.00 0.00 N ATOM 897 CA TRP A 57 -8.660 -3.792 -11.592 1.00 0.00 C ATOM 898 C TRP A 57 -7.887 -3.616 -12.895 1.00 0.00 C ATOM 899 O TRP A 57 -6.794 -4.158 -13.057 1.00 0.00 O ATOM 900 CB TRP A 57 -8.856 -2.434 -10.915 1.00 0.00 C ATOM 901 CG TRP A 57 -10.172 -2.307 -10.209 1.00 0.00 C ATOM 902 CD1 TRP A 57 -11.223 -1.514 -10.571 1.00 0.00 C ATOM 903 CD2 TRP A 57 -10.576 -2.993 -9.019 1.00 0.00 C ATOM 904 NE1 TRP A 57 -12.256 -1.665 -9.678 1.00 0.00 N ATOM 905 CE2 TRP A 57 -11.885 -2.568 -8.717 1.00 0.00 C ATOM 906 CE3 TRP A 57 -9.961 -3.927 -8.180 1.00 0.00 C ATOM 907 CZ2 TRP A 57 -12.585 -3.044 -7.612 1.00 0.00 C ATOM 908 CZ3 TRP A 57 -10.658 -4.398 -7.084 1.00 0.00 C ATOM 909 CH2 TRP A 57 -11.959 -3.957 -6.808 1.00 0.00 C ATOM 0 H TRP A 57 -7.739 -4.315 -9.782 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.636 -4.219 -11.824 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -8.050 -2.274 -10.198 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.777 -1.647 -11.665 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.240 -0.863 -11.433 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.154 -1.183 -9.723 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.959 -4.274 -8.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.587 -2.704 -7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.192 -5.119 -6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -12.478 -4.345 -5.944 1.00 0.00 H new ATOM 920 N SER A 58 -8.462 -2.856 -13.821 1.00 0.00 N ATOM 921 CA SER A 58 -7.829 -2.613 -15.112 1.00 0.00 C ATOM 922 C SER A 58 -6.311 -2.547 -14.968 1.00 0.00 C ATOM 923 O SER A 58 -5.787 -1.805 -14.137 1.00 0.00 O ATOM 924 CB SER A 58 -8.352 -1.312 -15.724 1.00 0.00 C ATOM 925 OG SER A 58 -9.687 -1.462 -16.174 1.00 0.00 O ATOM 0 H SER A 58 -9.365 -2.398 -13.701 1.00 0.00 H new ATOM 0 HA SER A 58 -8.079 -3.443 -15.773 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.302 -0.512 -14.985 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.715 -1.016 -16.557 1.00 0.00 H new ATOM 0 HG SER A 58 -9.999 -0.617 -16.559 1.00 0.00 H new ATOM 931 N HIS A 59 -5.611 -3.328 -15.784 1.00 0.00 N ATOM 932 CA HIS A 59 -4.153 -3.358 -15.749 1.00 0.00 C ATOM 933 C HIS A 59 -3.589 -1.981 -15.413 1.00 0.00 C ATOM 934 O HIS A 59 -2.782 -1.837 -14.495 1.00 0.00 O ATOM 935 CB HIS A 59 -3.599 -3.835 -17.092 1.00 0.00 C ATOM 936 CG HIS A 59 -3.777 -5.304 -17.326 1.00 0.00 C ATOM 937 ND1 HIS A 59 -3.368 -6.264 -16.424 1.00 0.00 N ATOM 938 CD2 HIS A 59 -4.325 -5.975 -18.366 1.00 0.00 C ATOM 939 CE1 HIS A 59 -3.655 -7.462 -16.901 1.00 0.00 C ATOM 940 NE2 HIS A 59 -4.237 -7.315 -18.078 1.00 0.00 N ATOM 0 H HIS A 59 -6.029 -3.948 -16.477 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.847 -4.056 -14.970 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.091 -3.285 -17.894 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.537 -3.593 -17.144 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.752 -5.538 -19.257 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.449 -8.402 -16.412 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.567 -8.073 -18.675 1.00 0.00 H new ATOM 948 N ARG A 60 -4.019 -0.972 -16.163 1.00 0.00 N ATOM 949 CA ARG A 60 -3.555 0.393 -15.946 1.00 0.00 C ATOM 950 C ARG A 60 -4.626 1.227 -15.249 1.00 0.00 C ATOM 951 O ARG A 60 -5.257 2.087 -15.865 1.00 0.00 O ATOM 952 CB ARG A 60 -3.174 1.043 -17.277 1.00 0.00 C ATOM 953 CG ARG A 60 -2.643 2.460 -17.134 1.00 0.00 C ATOM 954 CD ARG A 60 -2.135 3.002 -18.460 1.00 0.00 C ATOM 955 NE ARG A 60 -3.227 3.413 -19.339 1.00 0.00 N ATOM 956 CZ ARG A 60 -3.115 3.498 -20.660 1.00 0.00 C ATOM 957 NH1 ARG A 60 -1.967 3.201 -21.252 1.00 0.00 N ATOM 958 NH2 ARG A 60 -4.154 3.880 -21.391 1.00 0.00 N ATOM 0 H ARG A 60 -4.688 -1.074 -16.926 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.675 0.353 -15.304 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.419 0.429 -17.768 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.048 1.056 -17.929 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.432 3.108 -16.753 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.837 2.475 -16.401 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.478 3.852 -18.276 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.537 2.239 -18.958 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.125 3.648 -18.915 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.166 2.906 -20.693 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.884 3.267 -22.266 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.039 4.109 -20.939 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.068 3.945 -22.405 1.00 0.00 H new ATOM 972 N TYR A 61 -4.827 0.967 -13.962 1.00 0.00 N ATOM 973 CA TYR A 61 -5.823 1.691 -13.182 1.00 0.00 C ATOM 974 C TYR A 61 -5.312 1.974 -11.773 1.00 0.00 C ATOM 975 O TYR A 61 -5.009 1.054 -11.014 1.00 0.00 O ATOM 976 CB TYR A 61 -7.126 0.892 -13.113 1.00 0.00 C ATOM 977 CG TYR A 61 -7.942 1.171 -11.871 1.00 0.00 C ATOM 978 CD1 TYR A 61 -8.767 2.287 -11.793 1.00 0.00 C ATOM 979 CD2 TYR A 61 -7.888 0.319 -10.774 1.00 0.00 C ATOM 980 CE1 TYR A 61 -9.513 2.546 -10.661 1.00 0.00 C ATOM 981 CE2 TYR A 61 -8.632 0.570 -9.638 1.00 0.00 C ATOM 982 CZ TYR A 61 -9.443 1.685 -9.586 1.00 0.00 C ATOM 983 OH TYR A 61 -10.185 1.939 -8.455 1.00 0.00 O ATOM 0 H TYR A 61 -4.313 0.260 -13.437 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.013 2.643 -13.677 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.729 1.119 -13.992 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.893 -0.172 -13.153 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.825 2.963 -12.633 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.253 -0.554 -10.811 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.148 3.418 -10.617 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.579 -0.103 -8.795 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.022 1.236 -7.792 1.00 0.00 H new ATOM 993 N ASP A 62 -5.219 3.255 -11.431 1.00 0.00 N ATOM 994 CA ASP A 62 -4.746 3.662 -10.113 1.00 0.00 C ATOM 995 C ASP A 62 -5.608 4.788 -9.550 1.00 0.00 C ATOM 996 O ASP A 62 -6.130 5.614 -10.298 1.00 0.00 O ATOM 997 CB ASP A 62 -3.285 4.109 -10.187 1.00 0.00 C ATOM 998 CG ASP A 62 -3.005 4.972 -11.402 1.00 0.00 C ATOM 999 OD1 ASP A 62 -3.263 6.193 -11.335 1.00 0.00 O ATOM 1000 OD2 ASP A 62 -2.527 4.428 -12.419 1.00 0.00 O ATOM 0 H ASP A 62 -5.465 4.029 -12.048 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.821 2.803 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.032 4.665 -9.284 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.640 3.231 -10.212 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.752 4.813 -8.229 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.552 5.837 -7.568 1.00 0.00 C ATOM 1007 C GLU A 63 -5.877 6.308 -6.282 1.00 0.00 C ATOM 1008 O GLU A 63 -5.330 5.506 -5.526 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.950 5.300 -7.256 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.866 6.327 -6.610 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.656 7.126 -7.628 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -10.425 6.511 -8.397 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -9.506 8.365 -7.657 1.00 0.00 O ATOM 0 H GLU A 63 -5.325 4.136 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.640 6.687 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.409 4.946 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.860 4.439 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.557 5.820 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.271 7.008 -6.002 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.922 7.613 -6.043 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.315 8.192 -4.849 1.00 0.00 C ATOM 1022 C TRP A 64 -6.088 7.793 -3.597 1.00 0.00 C ATOM 1023 O TRP A 64 -7.308 7.944 -3.536 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.262 9.716 -4.967 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.317 10.198 -6.025 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.545 10.240 -7.371 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.992 10.704 -5.825 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.443 10.742 -8.020 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.477 11.035 -7.094 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.193 10.912 -4.698 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.199 11.560 -7.264 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.924 11.433 -4.869 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.437 11.754 -6.143 1.00 0.00 C ATOM 0 H TRP A 64 -6.372 8.290 -6.659 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.299 7.806 -4.764 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.262 10.091 -5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.966 10.137 -4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.458 9.925 -7.854 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.358 10.875 -9.028 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.560 10.670 -3.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.822 11.806 -8.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.297 11.596 -4.005 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.558 12.162 -6.243 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.370 7.283 -2.602 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.990 6.864 -1.351 1.00 0.00 C ATOM 1046 C ILE A 65 -5.298 7.505 -0.153 1.00 0.00 C ATOM 1047 O ILE A 65 -4.083 7.391 0.010 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.956 5.333 -1.191 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.734 4.662 -2.325 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.524 4.928 0.161 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.681 3.151 -2.283 1.00 0.00 C ATOM 0 H ILE A 65 -4.359 7.150 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.028 7.194 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.919 5.001 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.775 4.982 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.336 5.005 -3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.493 3.843 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.931 5.381 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.556 5.270 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.254 2.744 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.645 2.821 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.106 2.798 -1.343 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.079 8.177 0.685 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.542 8.837 1.869 1.00 0.00 C ATOM 1065 C TYR A 66 -4.733 7.860 2.717 1.00 0.00 C ATOM 1066 O TYR A 66 -5.281 6.924 3.298 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.675 9.436 2.703 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.271 10.690 2.104 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.457 11.697 1.601 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.647 10.868 2.042 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.996 12.845 1.053 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.195 12.012 1.494 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.366 12.997 1.001 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.908 14.139 0.457 1.00 0.00 O ATOM 0 H TYR A 66 -7.087 8.279 0.566 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.881 9.638 1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.461 8.691 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.299 9.663 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.384 11.580 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.300 10.099 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.349 13.619 0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.267 12.134 1.452 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.886 14.088 0.496 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.426 8.086 2.782 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.539 7.227 3.559 1.00 0.00 C ATOM 1086 C TRP A 67 -2.972 7.178 5.020 1.00 0.00 C ATOM 1087 O TRP A 67 -2.484 6.355 5.794 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.096 7.724 3.458 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.929 9.152 3.882 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.921 10.068 4.087 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.305 9.828 4.149 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.379 11.272 4.466 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.015 11.151 4.512 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.648 9.444 4.119 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.960 12.088 4.841 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.615 10.376 4.446 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.267 11.685 4.804 1.00 0.00 C ATOM 0 H TRP A 67 -2.957 8.857 2.306 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.598 6.219 3.148 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.458 7.092 4.075 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.753 7.615 2.429 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.977 9.874 3.969 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.906 12.119 4.679 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.926 8.437 3.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.694 13.098 5.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.656 10.090 4.425 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.046 12.390 5.056 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.891 8.063 5.391 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.390 8.119 6.760 1.00 0.00 C ATOM 1110 C ASP A 68 -5.806 7.558 6.845 1.00 0.00 C ATOM 1111 O ASP A 68 -6.546 7.852 7.784 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.368 9.559 7.275 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.007 9.695 8.643 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.717 8.853 9.519 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -5.796 10.643 8.837 1.00 0.00 O ATOM 0 H ASP A 68 -4.305 8.751 4.763 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.737 7.508 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.337 9.909 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.891 10.203 6.568 1.00 0.00 H new ATOM 1120 N SER A 69 -6.176 6.748 5.858 1.00 0.00 N ATOM 1121 CA SER A 69 -7.505 6.149 5.819 1.00 0.00 C ATOM 1122 C SER A 69 -7.565 4.903 6.697 1.00 0.00 C ATOM 1123 O SER A 69 -8.596 4.604 7.298 1.00 0.00 O ATOM 1124 CB SER A 69 -7.884 5.791 4.380 1.00 0.00 C ATOM 1125 OG SER A 69 -9.291 5.717 4.227 1.00 0.00 O ATOM 0 H SER A 69 -5.574 6.492 5.075 1.00 0.00 H new ATOM 0 HA SER A 69 -8.217 6.879 6.204 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.480 6.538 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.435 4.836 4.109 1.00 0.00 H new ATOM 0 HG SER A 69 -9.548 6.115 3.369 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.452 4.181 6.766 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.377 2.967 7.571 1.00 0.00 C ATOM 1133 C ASN A 70 -7.116 1.818 6.891 1.00 0.00 C ATOM 1134 O ASN A 70 -7.663 0.938 7.557 1.00 0.00 O ATOM 1135 CB ASN A 70 -6.964 3.214 8.961 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.607 4.585 9.504 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.476 5.435 9.696 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.321 4.804 9.755 1.00 0.00 N ATOM 0 H ASN A 70 -5.589 4.415 6.274 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.327 2.692 7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.049 3.115 8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.601 2.449 9.647 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.020 5.707 10.122 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.635 4.070 9.580 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.128 1.832 5.563 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.800 0.792 4.793 1.00 0.00 C ATOM 1147 C ARG A 71 -6.793 -0.031 3.996 1.00 0.00 C ATOM 1148 O ARG A 71 -7.152 -0.706 3.030 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.830 1.413 3.847 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.775 2.388 4.531 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.529 3.235 3.518 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.578 4.034 4.146 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.649 4.481 3.499 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.811 4.208 2.212 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.560 5.202 4.140 1.00 0.00 N ATOM 0 H ARG A 71 -6.680 2.552 4.997 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.311 0.130 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.307 1.931 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.414 0.617 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.486 1.837 5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.209 3.036 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.829 3.894 3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.971 2.587 2.761 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.483 4.261 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.113 3.654 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.634 4.552 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.438 5.414 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.382 5.545 3.642 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.531 0.030 4.405 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.470 -0.710 3.730 1.00 0.00 C ATOM 1171 C LEU A 72 -3.847 -1.743 4.663 1.00 0.00 C ATOM 1172 O LEU A 72 -3.843 -1.570 5.882 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.394 0.252 3.223 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.896 1.564 2.619 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.884 2.676 2.842 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.184 1.392 1.135 1.00 0.00 C ATOM 0 H LEU A 72 -5.217 0.585 5.201 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.909 -1.234 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.727 0.489 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.797 -0.266 2.472 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.824 1.840 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.259 3.602 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.728 2.816 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.939 2.408 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.540 2.336 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.272 1.092 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.947 0.625 0.999 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.320 -2.815 4.081 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.693 -3.876 4.861 1.00 0.00 C ATOM 1190 C ARG A 73 -1.284 -4.166 4.350 1.00 0.00 C ATOM 1191 O ARG A 73 -0.969 -3.963 3.177 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.540 -5.149 4.804 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.031 -4.895 4.953 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.762 -6.138 5.435 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.811 -7.176 4.409 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.427 -8.342 4.571 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -7.043 -8.616 5.713 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -6.429 -9.235 3.590 1.00 0.00 N ATOM 0 H ARG A 73 -3.314 -2.972 3.073 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.624 -3.540 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.359 -5.654 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.215 -5.827 5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.194 -4.080 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.444 -4.576 3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.265 -6.529 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.777 -5.871 5.729 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.347 -6.996 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.044 -7.931 6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.515 -9.512 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.957 -9.027 2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.902 -10.130 3.716 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.416 -4.652 5.250 1.00 0.00 N ATOM 1213 CA PRO A 74 0.972 -4.981 4.913 1.00 0.00 C ATOM 1214 C PRO A 74 1.075 -6.203 4.007 1.00 0.00 C ATOM 1215 O PRO A 74 1.077 -7.340 4.480 1.00 0.00 O ATOM 1216 CB PRO A 74 1.608 -5.269 6.275 1.00 0.00 C ATOM 1217 CG PRO A 74 0.473 -5.694 7.141 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.724 -4.919 6.665 1.00 0.00 C ATOM 0 HA PRO A 74 1.459 -4.177 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.364 -6.051 6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.102 -4.384 6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.301 -6.767 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.682 -5.484 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.644 -5.493 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.855 -3.996 7.229 1.00 0.00 H new ATOM 1226 N LEU A 75 1.162 -5.962 2.704 1.00 0.00 N ATOM 1227 CA LEU A 75 1.266 -7.044 1.731 1.00 0.00 C ATOM 1228 C LEU A 75 2.480 -7.921 2.020 1.00 0.00 C ATOM 1229 O LEU A 75 3.477 -7.455 2.571 1.00 0.00 O ATOM 1230 CB LEU A 75 1.360 -6.475 0.314 1.00 0.00 C ATOM 1231 CG LEU A 75 1.560 -7.496 -0.807 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.219 -8.004 -1.312 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.364 -6.886 -1.946 1.00 0.00 C ATOM 0 H LEU A 75 1.163 -5.027 2.296 1.00 0.00 H new ATOM 0 HA LEU A 75 0.369 -7.658 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.449 -5.913 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.186 -5.765 0.283 1.00 0.00 H new ATOM 0 HG LEU A 75 2.118 -8.342 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.382 -8.729 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.322 -8.479 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.366 -7.168 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.497 -7.626 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.832 -6.022 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.340 -6.572 -1.575 1.00 0.00 H new ATOM 1245 N GLU A 76 2.389 -9.193 1.643 1.00 0.00 N ATOM 1246 CA GLU A 76 3.481 -10.134 1.861 1.00 0.00 C ATOM 1247 C GLU A 76 4.433 -10.149 0.669 1.00 0.00 C ATOM 1248 O GLU A 76 4.040 -10.483 -0.449 1.00 0.00 O ATOM 1249 CB GLU A 76 2.930 -11.541 2.105 1.00 0.00 C ATOM 1250 CG GLU A 76 1.833 -11.942 1.133 1.00 0.00 C ATOM 1251 CD GLU A 76 1.453 -13.405 1.254 1.00 0.00 C ATOM 1252 OE1 GLU A 76 2.243 -14.262 0.805 1.00 0.00 O ATOM 1253 OE2 GLU A 76 0.366 -13.693 1.798 1.00 0.00 O ATOM 0 H GLU A 76 1.571 -9.595 1.185 1.00 0.00 H new ATOM 0 HA GLU A 76 4.035 -9.810 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.747 -12.259 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.542 -11.599 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.952 -11.326 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.163 -11.739 0.114 1.00 0.00 H new ATOM 1260 N ARG A 77 5.686 -9.783 0.916 1.00 0.00 N ATOM 1261 CA ARG A 77 6.695 -9.752 -0.136 1.00 0.00 C ATOM 1262 C ARG A 77 7.958 -10.490 0.299 1.00 0.00 C ATOM 1263 O ARG A 77 8.321 -10.508 1.475 1.00 0.00 O ATOM 1264 CB ARG A 77 7.037 -8.307 -0.502 1.00 0.00 C ATOM 1265 CG ARG A 77 7.954 -7.625 0.500 1.00 0.00 C ATOM 1266 CD ARG A 77 7.170 -7.030 1.658 1.00 0.00 C ATOM 1267 NE ARG A 77 8.014 -6.219 2.531 1.00 0.00 N ATOM 1268 CZ ARG A 77 7.734 -5.977 3.807 1.00 0.00 C ATOM 1269 NH1 ARG A 77 6.637 -6.482 4.356 1.00 0.00 N ATOM 1270 NH2 ARG A 77 8.551 -5.229 4.537 1.00 0.00 N ATOM 0 H ARG A 77 6.027 -9.504 1.836 1.00 0.00 H new ATOM 0 HA ARG A 77 6.285 -10.254 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.511 -8.292 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.114 -7.734 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.678 -8.345 0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.520 -6.839 0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.357 -6.417 1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.714 -7.833 2.238 1.00 0.00 H new ATOM 0 HE ARG A 77 8.865 -5.816 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.006 -7.058 3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.424 -6.295 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.396 -4.839 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.335 -5.044 5.516 1.00 0.00 H new ATOM 1284 N PRO A 78 8.643 -11.114 -0.671 1.00 0.00 N ATOM 1285 CA PRO A 78 9.875 -11.865 -0.413 1.00 0.00 C ATOM 1286 C PRO A 78 11.040 -10.955 -0.040 1.00 0.00 C ATOM 1287 O PRO A 78 11.299 -9.956 -0.709 1.00 0.00 O ATOM 1288 CB PRO A 78 10.149 -12.566 -1.746 1.00 0.00 C ATOM 1289 CG PRO A 78 9.482 -11.711 -2.768 1.00 0.00 C ATOM 1290 CD PRO A 78 8.267 -11.134 -2.095 1.00 0.00 C ATOM 0 HA PRO A 78 9.767 -12.549 0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.219 -12.649 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.744 -13.578 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.150 -10.921 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.202 -12.296 -3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.040 -10.134 -2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.382 -11.747 -2.269 1.00 0.00 H new ATOM 1298 N ALA A 79 11.741 -11.309 1.033 1.00 0.00 N ATOM 1299 CA ALA A 79 12.881 -10.525 1.493 1.00 0.00 C ATOM 1300 C ALA A 79 13.994 -10.511 0.451 1.00 0.00 C ATOM 1301 O ALA A 79 14.715 -11.496 0.285 1.00 0.00 O ATOM 1302 CB ALA A 79 13.399 -11.074 2.814 1.00 0.00 C ATOM 0 H ALA A 79 11.539 -12.133 1.599 1.00 0.00 H new ATOM 0 HA ALA A 79 12.548 -9.498 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.250 -10.480 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.608 -11.026 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.710 -12.110 2.680 1.00 0.00 H new ATOM 1308 N LEU A 80 14.128 -9.390 -0.249 1.00 0.00 N ATOM 1309 CA LEU A 80 15.154 -9.248 -1.276 1.00 0.00 C ATOM 1310 C LEU A 80 16.396 -8.563 -0.715 1.00 0.00 C ATOM 1311 O LEU A 80 16.336 -7.417 -0.268 1.00 0.00 O ATOM 1312 CB LEU A 80 14.609 -8.450 -2.462 1.00 0.00 C ATOM 1313 CG LEU A 80 13.890 -9.259 -3.542 1.00 0.00 C ATOM 1314 CD1 LEU A 80 12.897 -8.385 -4.292 1.00 0.00 C ATOM 1315 CD2 LEU A 80 14.895 -9.875 -4.505 1.00 0.00 C ATOM 0 H LEU A 80 13.539 -8.566 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 80 15.434 -10.245 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 80 13.919 -7.697 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.438 -7.917 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 80 13.339 -10.066 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.395 -8.978 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.158 -7.993 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 80 13.425 -7.557 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.365 -10.447 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.474 -9.084 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.567 -10.536 -3.957 1.00 0.00 H new ATOM 1327 N ARG A 81 17.520 -9.271 -0.743 1.00 0.00 N ATOM 1328 CA ARG A 81 18.776 -8.730 -0.239 1.00 0.00 C ATOM 1329 C ARG A 81 19.707 -8.353 -1.387 1.00 0.00 C ATOM 1330 O ARG A 81 20.353 -9.214 -1.986 1.00 0.00 O ATOM 1331 CB ARG A 81 19.463 -9.746 0.676 1.00 0.00 C ATOM 1332 CG ARG A 81 20.615 -9.164 1.478 1.00 0.00 C ATOM 1333 CD ARG A 81 20.116 -8.406 2.698 1.00 0.00 C ATOM 1334 NE ARG A 81 21.207 -8.035 3.596 1.00 0.00 N ATOM 1335 CZ ARG A 81 21.097 -7.112 4.544 1.00 0.00 C ATOM 1336 NH1 ARG A 81 19.951 -6.468 4.718 1.00 0.00 N ATOM 1337 NH2 ARG A 81 22.135 -6.830 5.322 1.00 0.00 N ATOM 0 H ARG A 81 17.586 -10.221 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 81 18.550 -7.830 0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.725 -10.159 1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.834 -10.574 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 81 21.282 -9.966 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 81 21.199 -8.495 0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.590 -7.507 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 81 19.396 -9.021 3.237 1.00 0.00 H new ATOM 0 HE ARG A 81 22.103 -8.511 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.151 -6.681 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.870 -5.759 5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 81 23.019 -7.323 5.192 1.00 0.00 H new ATOM 0 HH22 ARG A 81 22.049 -6.121 6.050 1.00 0.00 H new ATOM 1351 N LYS A 82 19.771 -7.061 -1.691 1.00 0.00 N ATOM 1352 CA LYS A 82 20.622 -6.568 -2.767 1.00 0.00 C ATOM 1353 C LYS A 82 21.881 -5.913 -2.208 1.00 0.00 C ATOM 1354 O LYS A 82 21.962 -5.620 -1.016 1.00 0.00 O ATOM 1355 CB LYS A 82 19.855 -5.567 -3.634 1.00 0.00 C ATOM 1356 CG LYS A 82 19.644 -4.220 -2.965 1.00 0.00 C ATOM 1357 CD LYS A 82 18.349 -4.190 -2.170 1.00 0.00 C ATOM 1358 CE LYS A 82 17.758 -2.790 -2.120 1.00 0.00 C ATOM 1359 NZ LYS A 82 17.274 -2.344 -3.457 1.00 0.00 N ATOM 0 H LYS A 82 19.243 -6.336 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 82 20.918 -7.419 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.397 -5.418 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.885 -5.991 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.483 -4.006 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.626 -3.436 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.629 -4.874 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.535 -4.544 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.932 -2.770 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.510 -2.091 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.556 -1.601 -3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.072 -1.968 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.856 -3.151 -3.962 1.00 0.00 H new ATOM 1373 N GLU A 83 22.860 -5.685 -3.078 1.00 0.00 N ATOM 1374 CA GLU A 83 24.115 -5.064 -2.670 1.00 0.00 C ATOM 1375 C GLU A 83 24.672 -4.180 -3.782 1.00 0.00 C ATOM 1376 O GLU A 83 24.604 -4.530 -4.960 1.00 0.00 O ATOM 1377 CB GLU A 83 25.141 -6.134 -2.292 1.00 0.00 C ATOM 1378 CG GLU A 83 24.979 -6.660 -0.876 1.00 0.00 C ATOM 1379 CD GLU A 83 25.612 -5.751 0.160 1.00 0.00 C ATOM 1380 OE1 GLU A 83 24.934 -4.805 0.612 1.00 0.00 O ATOM 1381 OE2 GLU A 83 26.785 -5.985 0.518 1.00 0.00 O ATOM 0 H GLU A 83 22.808 -5.921 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 83 23.915 -4.440 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 83 25.060 -6.966 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 83 26.143 -5.720 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.918 -6.774 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 83 25.428 -7.651 -0.807 1.00 0.00 H new ATOM 1388 N GLY A 84 25.222 -3.032 -3.399 1.00 0.00 N ATOM 1389 CA GLY A 84 25.782 -2.115 -4.375 1.00 0.00 C ATOM 1390 C GLY A 84 27.272 -2.312 -4.567 1.00 0.00 C ATOM 1391 O GLY A 84 27.841 -3.301 -4.101 1.00 0.00 O ATOM 0 H GLY A 84 25.290 -2.720 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 84 25.275 -2.251 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 84 25.592 -1.090 -4.057 1.00 0.00 H new ATOM 1395 N LEU A 85 27.908 -1.371 -5.255 1.00 0.00 N ATOM 1396 CA LEU A 85 29.342 -1.446 -5.510 1.00 0.00 C ATOM 1397 C LEU A 85 30.002 -0.085 -5.312 1.00 0.00 C ATOM 1398 O LEU A 85 29.338 0.951 -5.348 1.00 0.00 O ATOM 1399 CB LEU A 85 29.603 -1.950 -6.930 1.00 0.00 C ATOM 1400 CG LEU A 85 29.372 -0.940 -8.054 1.00 0.00 C ATOM 1401 CD1 LEU A 85 30.203 -1.301 -9.276 1.00 0.00 C ATOM 1402 CD2 LEU A 85 27.895 -0.868 -8.413 1.00 0.00 C ATOM 0 H LEU A 85 27.453 -0.546 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 85 29.776 -2.147 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.635 -2.297 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 85 28.965 -2.816 -7.110 1.00 0.00 H new ATOM 0 HG LEU A 85 29.688 0.042 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.025 -0.571 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.260 -1.299 -9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 85 29.920 -2.293 -9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 85 27.750 -0.144 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 85 27.553 -1.849 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 85 27.323 -0.560 -7.538 1.00 0.00 H new ATOM 1414 N LYS A 86 31.315 -0.094 -5.106 1.00 0.00 N ATOM 1415 CA LYS A 86 32.067 1.139 -4.907 1.00 0.00 C ATOM 1416 C LYS A 86 32.865 1.498 -6.156 1.00 0.00 C ATOM 1417 O LYS A 86 32.858 2.646 -6.600 1.00 0.00 O ATOM 1418 CB LYS A 86 33.010 0.998 -3.710 1.00 0.00 C ATOM 1419 CG LYS A 86 33.756 2.276 -3.369 1.00 0.00 C ATOM 1420 CD LYS A 86 32.816 3.346 -2.841 1.00 0.00 C ATOM 1421 CE LYS A 86 33.523 4.685 -2.693 1.00 0.00 C ATOM 1422 NZ LYS A 86 33.583 5.426 -3.983 1.00 0.00 N ATOM 0 H LYS A 86 31.880 -0.942 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 86 31.355 1.941 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 86 32.435 0.680 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 86 33.733 0.210 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 86 34.522 2.063 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 86 34.269 2.647 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 86 31.969 3.454 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 86 32.416 3.036 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 86 33.003 5.290 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 86 34.534 4.522 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 34.072 6.333 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 34.101 4.860 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 32.618 5.604 -4.326 1.00 0.00 H new ATOM 1436 N ASP A 87 33.551 0.509 -6.719 1.00 0.00 N ATOM 1437 CA ASP A 87 34.352 0.720 -7.919 1.00 0.00 C ATOM 1438 C ASP A 87 33.492 1.258 -9.059 1.00 0.00 C ATOM 1439 O ASP A 87 32.380 0.782 -9.287 1.00 0.00 O ATOM 1440 CB ASP A 87 35.025 -0.586 -8.345 1.00 0.00 C ATOM 1441 CG ASP A 87 35.921 -0.407 -9.555 1.00 0.00 C ATOM 1442 OD1 ASP A 87 37.099 -0.035 -9.372 1.00 0.00 O ATOM 1443 OD2 ASP A 87 35.444 -0.641 -10.685 1.00 0.00 O ATOM 0 H ASP A 87 33.568 -0.447 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 87 35.120 1.458 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 87 35.614 -0.976 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 87 34.260 -1.329 -8.570 1.00 0.00 H new ATOM 1448 N GLU A 88 34.014 2.253 -9.769 1.00 0.00 N ATOM 1449 CA GLU A 88 33.293 2.857 -10.883 1.00 0.00 C ATOM 1450 C GLU A 88 32.998 1.822 -11.965 1.00 0.00 C ATOM 1451 O GLU A 88 32.322 2.115 -12.950 1.00 0.00 O ATOM 1452 CB GLU A 88 34.100 4.014 -11.475 1.00 0.00 C ATOM 1453 CG GLU A 88 35.300 3.564 -12.291 1.00 0.00 C ATOM 1454 CD GLU A 88 36.408 4.600 -12.319 1.00 0.00 C ATOM 1455 OE1 GLU A 88 37.139 4.714 -11.314 1.00 0.00 O ATOM 1456 OE2 GLU A 88 36.542 5.295 -13.348 1.00 0.00 O ATOM 0 H GLU A 88 34.933 2.658 -9.593 1.00 0.00 H new ATOM 0 HA GLU A 88 32.346 3.241 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 88 33.447 4.616 -12.107 1.00 0.00 H new ATOM 0 HB3 GLU A 88 34.443 4.659 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 88 35.688 2.633 -11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 88 34.981 3.350 -13.311 1.00 0.00 H new TER 1463 GLU A 88