USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 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 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 180:sc= 0 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+ -143:sc= 0 (180deg=-0.206) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 33 GLN : amide:sc=-0.00719 X(o=-0.0072,f=-0.34) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.0282 USER MOD Single : A 38 SER OG : rot 7:sc= 0.344 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0257) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.113 (180deg=0.0475) USER MOD Single : A 50 MET CE :methyl 172:sc= -0.815 (180deg=-0.858) USER MOD Single : A 53 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-0.84) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=-0.063) 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 159:sc= -0.991 USER MOD Single : A 70 ASN : amide:sc= -0.473 K(o=-0.47,f=-1.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0214) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.098 -4.551 20.528 1.00 0.00 N ATOM 2 CA GLY A 1 -3.979 -3.656 20.759 1.00 0.00 C ATOM 3 C GLY A 1 -4.312 -2.215 20.426 1.00 0.00 C ATOM 4 O GLY A 1 -4.041 -1.748 19.320 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.820 -5.524 20.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.902 -4.262 21.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.375 -4.509 19.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.673 -3.723 21.803 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.130 -3.978 20.157 1.00 0.00 H new ATOM 8 N SER A 2 -4.902 -1.509 21.385 1.00 0.00 N ATOM 9 CA SER A 2 -5.277 -0.114 21.186 1.00 0.00 C ATOM 10 C SER A 2 -4.081 0.808 21.406 1.00 0.00 C ATOM 11 O SER A 2 -3.281 0.597 22.317 1.00 0.00 O ATOM 12 CB SER A 2 -6.413 0.271 22.136 1.00 0.00 C ATOM 13 OG SER A 2 -5.943 0.403 23.466 1.00 0.00 O ATOM 0 H SER A 2 -5.131 -1.880 22.307 1.00 0.00 H new ATOM 0 HA SER A 2 -5.618 0.001 20.157 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.861 1.210 21.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.196 -0.486 22.097 1.00 0.00 H new ATOM 0 HG SER A 2 -6.688 0.651 24.053 1.00 0.00 H new ATOM 19 N SER A 3 -3.966 1.829 20.563 1.00 0.00 N ATOM 20 CA SER A 3 -2.866 2.781 20.662 1.00 0.00 C ATOM 21 C SER A 3 -3.093 3.757 21.813 1.00 0.00 C ATOM 22 O SER A 3 -4.225 3.973 22.245 1.00 0.00 O ATOM 23 CB SER A 3 -2.711 3.552 19.349 1.00 0.00 C ATOM 24 OG SER A 3 -1.875 2.852 18.444 1.00 0.00 O ATOM 0 H SER A 3 -4.621 2.018 19.804 1.00 0.00 H new ATOM 0 HA SER A 3 -1.951 2.222 20.858 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.691 3.709 18.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.291 4.538 19.549 1.00 0.00 H new ATOM 0 HG SER A 3 -1.793 3.364 17.612 1.00 0.00 H new ATOM 30 N GLY A 4 -2.007 4.344 22.307 1.00 0.00 N ATOM 31 CA GLY A 4 -2.108 5.289 23.403 1.00 0.00 C ATOM 32 C GLY A 4 -2.191 6.725 22.925 1.00 0.00 C ATOM 33 O GLY A 4 -3.274 7.307 22.872 1.00 0.00 O ATOM 0 H GLY A 4 -1.059 4.182 21.967 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.990 5.056 23.999 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.243 5.176 24.057 1.00 0.00 H new ATOM 37 N SER A 5 -1.043 7.299 22.578 1.00 0.00 N ATOM 38 CA SER A 5 -0.990 8.678 22.107 1.00 0.00 C ATOM 39 C SER A 5 -0.415 8.748 20.695 1.00 0.00 C ATOM 40 O SER A 5 0.553 8.060 20.372 1.00 0.00 O ATOM 41 CB SER A 5 -0.146 9.530 23.056 1.00 0.00 C ATOM 42 OG SER A 5 -0.114 10.883 22.635 1.00 0.00 O ATOM 0 H SER A 5 -0.138 6.830 22.614 1.00 0.00 H new ATOM 0 HA SER A 5 -2.007 9.069 22.086 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.554 9.469 24.065 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.869 9.135 23.099 1.00 0.00 H new ATOM 0 HG SER A 5 0.430 11.407 23.259 1.00 0.00 H new ATOM 48 N SER A 6 -1.020 9.585 19.858 1.00 0.00 N ATOM 49 CA SER A 6 -0.573 9.743 18.479 1.00 0.00 C ATOM 50 C SER A 6 -0.620 11.209 18.058 1.00 0.00 C ATOM 51 O SER A 6 -1.631 11.886 18.239 1.00 0.00 O ATOM 52 CB SER A 6 -1.439 8.902 17.540 1.00 0.00 C ATOM 53 OG SER A 6 -1.322 7.521 17.838 1.00 0.00 O ATOM 0 H SER A 6 -1.821 10.164 20.111 1.00 0.00 H new ATOM 0 HA SER A 6 0.459 9.398 18.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.481 9.209 17.628 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.140 9.081 16.507 1.00 0.00 H new ATOM 0 HG SER A 6 -1.886 7.005 17.225 1.00 0.00 H new ATOM 59 N GLY A 7 0.483 11.692 17.494 1.00 0.00 N ATOM 60 CA GLY A 7 0.547 13.074 17.055 1.00 0.00 C ATOM 61 C GLY A 7 0.442 13.209 15.549 1.00 0.00 C ATOM 62 O GLY A 7 -0.617 12.967 14.969 1.00 0.00 O ATOM 0 H GLY A 7 1.333 11.151 17.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.258 13.639 17.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.485 13.516 17.392 1.00 0.00 H new ATOM 66 N MET A 8 1.542 13.599 14.913 1.00 0.00 N ATOM 67 CA MET A 8 1.568 13.766 13.464 1.00 0.00 C ATOM 68 C MET A 8 0.782 12.657 12.774 1.00 0.00 C ATOM 69 O MET A 8 0.744 11.522 13.249 1.00 0.00 O ATOM 70 CB MET A 8 3.012 13.776 12.957 1.00 0.00 C ATOM 71 CG MET A 8 3.870 14.861 13.587 1.00 0.00 C ATOM 72 SD MET A 8 5.623 14.665 13.210 1.00 0.00 S ATOM 73 CE MET A 8 5.772 15.691 11.750 1.00 0.00 C ATOM 0 H MET A 8 2.426 13.805 15.378 1.00 0.00 H new ATOM 0 HA MET A 8 1.099 14.721 13.225 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.465 12.805 13.156 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.008 13.910 11.875 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.533 15.836 13.235 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.731 14.847 14.668 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.803 15.672 11.396 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.113 15.311 10.969 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.491 16.715 11.995 1.00 0.00 H new ATOM 83 N SER A 9 0.154 12.992 11.652 1.00 0.00 N ATOM 84 CA SER A 9 -0.635 12.025 10.899 1.00 0.00 C ATOM 85 C SER A 9 -0.040 11.799 9.512 1.00 0.00 C ATOM 86 O SER A 9 0.156 10.661 9.085 1.00 0.00 O ATOM 87 CB SER A 9 -2.083 12.504 10.772 1.00 0.00 C ATOM 88 OG SER A 9 -2.798 12.291 11.977 1.00 0.00 O ATOM 0 H SER A 9 0.176 13.927 11.244 1.00 0.00 H new ATOM 0 HA SER A 9 -0.618 11.080 11.441 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.098 13.564 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.574 11.975 9.956 1.00 0.00 H new ATOM 0 HG SER A 9 -3.720 12.607 11.871 1.00 0.00 H new ATOM 94 N LYS A 10 0.248 12.892 8.814 1.00 0.00 N ATOM 95 CA LYS A 10 0.822 12.816 7.476 1.00 0.00 C ATOM 96 C LYS A 10 1.786 11.640 7.363 1.00 0.00 C ATOM 97 O LYS A 10 1.471 10.622 6.746 1.00 0.00 O ATOM 98 CB LYS A 10 1.550 14.119 7.136 1.00 0.00 C ATOM 99 CG LYS A 10 0.665 15.351 7.227 1.00 0.00 C ATOM 100 CD LYS A 10 -0.401 15.353 6.145 1.00 0.00 C ATOM 101 CE LYS A 10 -1.581 16.233 6.527 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.350 16.679 5.332 1.00 0.00 N ATOM 0 H LYS A 10 0.093 13.842 9.153 1.00 0.00 H new ATOM 0 HA LYS A 10 0.008 12.665 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.397 14.239 7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.955 14.047 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.190 15.387 8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.278 16.248 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.030 15.707 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.747 14.334 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.241 15.684 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.222 17.105 7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.679 17.655 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.739 16.639 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.170 16.054 5.194 1.00 0.00 H new ATOM 116 N LYS A 11 2.962 11.785 7.965 1.00 0.00 N ATOM 117 CA LYS A 11 3.972 10.733 7.936 1.00 0.00 C ATOM 118 C LYS A 11 3.419 9.431 8.507 1.00 0.00 C ATOM 119 O LYS A 11 2.489 9.425 9.313 1.00 0.00 O ATOM 120 CB LYS A 11 5.210 11.164 8.726 1.00 0.00 C ATOM 121 CG LYS A 11 5.136 10.824 10.205 1.00 0.00 C ATOM 122 CD LYS A 11 6.256 11.490 10.986 1.00 0.00 C ATOM 123 CE LYS A 11 6.223 11.093 12.454 1.00 0.00 C ATOM 124 NZ LYS A 11 7.539 11.313 13.117 1.00 0.00 N ATOM 0 H LYS A 11 3.239 12.621 8.479 1.00 0.00 H new ATOM 0 HA LYS A 11 4.253 10.563 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.090 10.686 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.345 12.240 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.173 11.142 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.194 9.743 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.217 11.212 10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.168 12.573 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.455 11.670 12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.944 10.043 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.476 11.031 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.267 10.743 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.794 12.320 13.057 1.00 0.00 H new ATOM 138 N PRO A 12 4.004 8.302 8.081 1.00 0.00 N ATOM 139 CA PRO A 12 3.587 6.973 8.540 1.00 0.00 C ATOM 140 C PRO A 12 3.946 6.725 10.001 1.00 0.00 C ATOM 141 O PRO A 12 5.115 6.716 10.385 1.00 0.00 O ATOM 142 CB PRO A 12 4.367 6.023 7.628 1.00 0.00 C ATOM 143 CG PRO A 12 5.564 6.801 7.205 1.00 0.00 C ATOM 144 CD PRO A 12 5.118 8.234 7.121 1.00 0.00 C ATOM 0 HA PRO A 12 2.506 6.844 8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.653 5.113 8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.769 5.719 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.377 6.687 7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.937 6.451 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.921 8.921 7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.796 8.496 6.113 1.00 0.00 H new ATOM 152 N PRO A 13 2.917 6.517 10.837 1.00 0.00 N ATOM 153 CA PRO A 13 3.100 6.264 12.269 1.00 0.00 C ATOM 154 C PRO A 13 3.724 4.899 12.541 1.00 0.00 C ATOM 155 O PRO A 13 3.992 4.133 11.616 1.00 0.00 O ATOM 156 CB PRO A 13 1.675 6.320 12.824 1.00 0.00 C ATOM 157 CG PRO A 13 0.804 5.971 11.667 1.00 0.00 C ATOM 158 CD PRO A 13 1.497 6.514 10.448 1.00 0.00 C ATOM 0 HA PRO A 13 3.779 6.984 12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.542 5.616 13.646 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.440 7.311 13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.670 4.892 11.591 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.188 6.409 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.321 5.888 9.573 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.146 7.516 10.199 1.00 0.00 H new ATOM 166 N ASN A 14 3.953 4.602 13.816 1.00 0.00 N ATOM 167 CA ASN A 14 4.546 3.329 14.209 1.00 0.00 C ATOM 168 C ASN A 14 3.628 2.166 13.845 1.00 0.00 C ATOM 169 O ASN A 14 2.664 1.877 14.554 1.00 0.00 O ATOM 170 CB ASN A 14 4.829 3.318 15.713 1.00 0.00 C ATOM 171 CG ASN A 14 5.900 4.317 16.107 1.00 0.00 C ATOM 172 OD1 ASN A 14 6.883 4.505 15.390 1.00 0.00 O ATOM 173 ND2 ASN A 14 5.713 4.963 17.252 1.00 0.00 N ATOM 0 H ASN A 14 3.737 5.225 14.594 1.00 0.00 H new ATOM 0 HA ASN A 14 5.485 3.211 13.668 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.910 3.542 16.255 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.140 2.318 16.014 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.399 5.647 17.569 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.883 4.775 17.814 1.00 0.00 H new ATOM 180 N ARG A 15 3.935 1.502 12.735 1.00 0.00 N ATOM 181 CA ARG A 15 3.139 0.371 12.276 1.00 0.00 C ATOM 182 C ARG A 15 4.034 -0.747 11.750 1.00 0.00 C ATOM 183 O ARG A 15 4.594 -0.665 10.657 1.00 0.00 O ATOM 184 CB ARG A 15 2.165 0.815 11.183 1.00 0.00 C ATOM 185 CG ARG A 15 0.839 1.330 11.721 1.00 0.00 C ATOM 186 CD ARG A 15 -0.248 1.282 10.659 1.00 0.00 C ATOM 187 NE ARG A 15 -1.579 1.148 11.245 1.00 0.00 N ATOM 188 CZ ARG A 15 -2.704 1.353 10.569 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.659 1.698 9.289 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.878 1.211 11.172 1.00 0.00 N ATOM 0 H ARG A 15 4.730 1.728 12.137 1.00 0.00 H new ATOM 0 HA ARG A 15 2.572 -0.010 13.126 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.634 1.597 10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.975 -0.025 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.537 0.732 12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.961 2.354 12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.207 2.189 10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.062 0.444 9.987 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.649 0.882 12.227 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.759 1.806 8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.524 1.855 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.917 0.944 12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.741 1.369 10.652 1.00 0.00 H new ATOM 204 N PRO A 16 4.174 -1.818 12.546 1.00 0.00 N ATOM 205 CA PRO A 16 5.000 -2.973 12.182 1.00 0.00 C ATOM 206 C PRO A 16 4.396 -3.780 11.038 1.00 0.00 C ATOM 207 O PRO A 16 3.758 -4.809 11.261 1.00 0.00 O ATOM 208 CB PRO A 16 5.031 -3.805 13.466 1.00 0.00 C ATOM 209 CG PRO A 16 3.786 -3.429 14.192 1.00 0.00 C ATOM 210 CD PRO A 16 3.536 -1.983 13.863 1.00 0.00 C ATOM 0 HA PRO A 16 5.987 -2.674 11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.054 -4.872 13.246 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.918 -3.583 14.060 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.948 -4.051 13.878 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.903 -3.570 15.266 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.470 -1.758 13.824 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.975 -1.320 14.608 1.00 0.00 H new ATOM 218 N GLY A 17 4.601 -3.307 9.813 1.00 0.00 N ATOM 219 CA GLY A 17 4.070 -3.998 8.652 1.00 0.00 C ATOM 220 C GLY A 17 3.921 -3.084 7.452 1.00 0.00 C ATOM 221 O GLY A 17 4.677 -3.189 6.486 1.00 0.00 O ATOM 0 H GLY A 17 5.125 -2.458 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.729 -4.827 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.099 -4.427 8.901 1.00 0.00 H new ATOM 225 N ILE A 18 2.942 -2.188 7.511 1.00 0.00 N ATOM 226 CA ILE A 18 2.696 -1.253 6.420 1.00 0.00 C ATOM 227 C ILE A 18 3.663 -0.075 6.477 1.00 0.00 C ATOM 228 O ILE A 18 4.007 0.409 7.555 1.00 0.00 O ATOM 229 CB ILE A 18 1.252 -0.719 6.451 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.271 -1.856 6.744 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.908 -0.044 5.131 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.166 -1.399 6.865 1.00 0.00 C ATOM 0 H ILE A 18 2.306 -2.090 8.303 1.00 0.00 H new ATOM 0 HA ILE A 18 2.851 -1.803 5.492 1.00 0.00 H new ATOM 0 HB ILE A 18 1.171 0.021 7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.342 -2.599 5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.566 -2.350 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.116 0.328 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.591 0.788 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.003 -0.764 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.805 -2.258 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.251 -0.678 7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.479 -0.932 5.931 1.00 0.00 H new ATOM 244 N THR A 19 4.097 0.384 5.307 1.00 0.00 N ATOM 245 CA THR A 19 5.023 1.506 5.222 1.00 0.00 C ATOM 246 C THR A 19 4.732 2.369 4.000 1.00 0.00 C ATOM 247 O THR A 19 4.995 1.966 2.867 1.00 0.00 O ATOM 248 CB THR A 19 6.485 1.025 5.160 1.00 0.00 C ATOM 249 OG1 THR A 19 6.839 0.375 6.386 1.00 0.00 O ATOM 250 CG2 THR A 19 7.428 2.190 4.906 1.00 0.00 C ATOM 0 H THR A 19 3.822 -0.005 4.405 1.00 0.00 H new ATOM 0 HA THR A 19 4.882 2.100 6.125 1.00 0.00 H new ATOM 0 HB THR A 19 6.577 0.318 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.769 0.071 6.338 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.454 1.825 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.174 2.663 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.332 2.918 5.712 1.00 0.00 H new ATOM 258 N PHE A 20 4.188 3.558 4.237 1.00 0.00 N ATOM 259 CA PHE A 20 3.860 4.479 3.154 1.00 0.00 C ATOM 260 C PHE A 20 5.127 5.005 2.486 1.00 0.00 C ATOM 261 O PHE A 20 5.808 5.877 3.026 1.00 0.00 O ATOM 262 CB PHE A 20 3.026 5.646 3.684 1.00 0.00 C ATOM 263 CG PHE A 20 1.933 5.225 4.624 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.186 4.085 4.372 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.653 5.968 5.759 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.180 3.695 5.235 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.647 5.583 6.626 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.089 4.444 6.364 1.00 0.00 C ATOM 0 H PHE A 20 3.965 3.907 5.169 1.00 0.00 H new ATOM 0 HA PHE A 20 3.278 3.935 2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.683 6.349 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.584 6.178 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.393 3.495 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.227 6.858 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.396 2.805 5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.437 6.172 7.507 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.874 4.139 7.041 1.00 0.00 H new ATOM 278 N GLU A 21 5.436 4.469 1.310 1.00 0.00 N ATOM 279 CA GLU A 21 6.621 4.884 0.569 1.00 0.00 C ATOM 280 C GLU A 21 6.380 4.799 -0.935 1.00 0.00 C ATOM 281 O GLU A 21 5.339 4.316 -1.381 1.00 0.00 O ATOM 282 CB GLU A 21 7.821 4.016 0.954 1.00 0.00 C ATOM 283 CG GLU A 21 7.594 2.530 0.730 1.00 0.00 C ATOM 284 CD GLU A 21 8.763 1.685 1.194 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.860 2.248 1.393 1.00 0.00 O ATOM 286 OE2 GLU A 21 8.583 0.460 1.359 1.00 0.00 O ATOM 0 H GLU A 21 4.882 3.746 0.850 1.00 0.00 H new ATOM 0 HA GLU A 21 6.834 5.921 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.689 4.334 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.059 4.184 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.693 2.220 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.418 2.349 -0.330 1.00 0.00 H new ATOM 293 N ILE A 22 7.349 5.273 -1.711 1.00 0.00 N ATOM 294 CA ILE A 22 7.243 5.250 -3.165 1.00 0.00 C ATOM 295 C ILE A 22 7.660 3.895 -3.726 1.00 0.00 C ATOM 296 O ILE A 22 8.833 3.527 -3.680 1.00 0.00 O ATOM 297 CB ILE A 22 8.109 6.349 -3.810 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.599 7.734 -3.407 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.113 6.200 -5.324 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.120 7.929 -3.658 1.00 0.00 C ATOM 0 H ILE A 22 8.216 5.677 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 22 6.196 5.434 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 22 9.133 6.241 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.804 7.894 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.156 8.492 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.729 6.984 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.519 5.225 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.094 6.285 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.828 8.933 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.911 7.801 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.554 7.194 -3.086 1.00 0.00 H new ATOM 312 N GLY A 23 6.691 3.156 -4.257 1.00 0.00 N ATOM 313 CA GLY A 23 6.977 1.850 -4.821 1.00 0.00 C ATOM 314 C GLY A 23 6.715 0.725 -3.840 1.00 0.00 C ATOM 315 O GLY A 23 6.997 -0.437 -4.128 1.00 0.00 O ATOM 0 H GLY A 23 5.712 3.439 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.367 1.701 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.019 1.815 -5.139 1.00 0.00 H new ATOM 319 N ALA A 24 6.174 1.071 -2.676 1.00 0.00 N ATOM 320 CA ALA A 24 5.874 0.081 -1.649 1.00 0.00 C ATOM 321 C ALA A 24 4.737 -0.836 -2.087 1.00 0.00 C ATOM 322 O ALA A 24 3.773 -0.391 -2.710 1.00 0.00 O ATOM 323 CB ALA A 24 5.524 0.769 -0.338 1.00 0.00 C ATOM 0 H ALA A 24 5.935 2.029 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 24 6.763 -0.531 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.302 0.017 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.367 1.377 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.652 1.406 -0.483 1.00 0.00 H new ATOM 329 N ARG A 25 4.856 -2.118 -1.758 1.00 0.00 N ATOM 330 CA ARG A 25 3.839 -3.098 -2.119 1.00 0.00 C ATOM 331 C ARG A 25 2.942 -3.416 -0.926 1.00 0.00 C ATOM 332 O ARG A 25 3.396 -3.971 0.075 1.00 0.00 O ATOM 333 CB ARG A 25 4.496 -4.380 -2.633 1.00 0.00 C ATOM 334 CG ARG A 25 5.611 -4.134 -3.635 1.00 0.00 C ATOM 335 CD ARG A 25 6.604 -5.286 -3.658 1.00 0.00 C ATOM 336 NE ARG A 25 7.226 -5.446 -4.970 1.00 0.00 N ATOM 337 CZ ARG A 25 6.659 -6.100 -5.977 1.00 0.00 C ATOM 338 NH1 ARG A 25 5.463 -6.651 -5.825 1.00 0.00 N ATOM 339 NH2 ARG A 25 7.288 -6.203 -7.141 1.00 0.00 N ATOM 0 H ARG A 25 5.647 -2.502 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 25 3.223 -2.671 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.897 -4.937 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.735 -5.008 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.185 -4.000 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.130 -3.209 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.377 -5.113 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.094 -6.210 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 25 8.146 -5.033 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.975 -6.573 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.030 -7.153 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.208 -5.780 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.852 -6.706 -7.914 1.00 0.00 H new ATOM 353 N LEU A 26 1.668 -3.060 -1.039 1.00 0.00 N ATOM 354 CA LEU A 26 0.706 -3.306 0.030 1.00 0.00 C ATOM 355 C LEU A 26 -0.669 -3.637 -0.540 1.00 0.00 C ATOM 356 O LEU A 26 -0.869 -3.619 -1.754 1.00 0.00 O ATOM 357 CB LEU A 26 0.611 -2.086 0.948 1.00 0.00 C ATOM 358 CG LEU A 26 0.389 -0.741 0.256 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.644 -0.310 -0.487 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.796 -0.820 -0.696 1.00 0.00 C ATOM 0 H LEU A 26 1.276 -2.600 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 26 1.054 -4.162 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.205 -2.249 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.529 -2.024 1.533 1.00 0.00 H new ATOM 0 HG LEU A 26 0.168 0.006 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.467 0.649 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.469 -0.213 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.896 -1.057 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.939 0.146 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.604 -1.580 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.694 -1.083 -0.138 1.00 0.00 H new ATOM 372 N GLU A 27 -1.615 -3.936 0.345 1.00 0.00 N ATOM 373 CA GLU A 27 -2.972 -4.269 -0.071 1.00 0.00 C ATOM 374 C GLU A 27 -3.939 -3.138 0.270 1.00 0.00 C ATOM 375 O GLU A 27 -3.770 -2.444 1.272 1.00 0.00 O ATOM 376 CB GLU A 27 -3.431 -5.566 0.599 1.00 0.00 C ATOM 377 CG GLU A 27 -2.609 -6.780 0.202 1.00 0.00 C ATOM 378 CD GLU A 27 -2.954 -8.011 1.017 1.00 0.00 C ATOM 379 OE1 GLU A 27 -3.908 -8.723 0.642 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.270 -8.261 2.032 1.00 0.00 O ATOM 0 H GLU A 27 -1.466 -3.954 1.354 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.969 -4.408 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.383 -5.443 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.476 -5.746 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.769 -6.992 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.550 -6.553 0.325 1.00 0.00 H new ATOM 387 N ALA A 28 -4.951 -2.958 -0.573 1.00 0.00 N ATOM 388 CA ALA A 28 -5.945 -1.914 -0.361 1.00 0.00 C ATOM 389 C ALA A 28 -7.345 -2.505 -0.237 1.00 0.00 C ATOM 390 O ALA A 28 -7.645 -3.545 -0.825 1.00 0.00 O ATOM 391 CB ALA A 28 -5.896 -0.901 -1.496 1.00 0.00 C ATOM 0 H ALA A 28 -5.103 -3.522 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.709 -1.407 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.644 -0.127 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.906 -0.447 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.103 -1.403 -2.441 1.00 0.00 H new ATOM 397 N LEU A 29 -8.198 -1.836 0.530 1.00 0.00 N ATOM 398 CA LEU A 29 -9.568 -2.296 0.732 1.00 0.00 C ATOM 399 C LEU A 29 -10.532 -1.559 -0.193 1.00 0.00 C ATOM 400 O LEU A 29 -10.766 -0.361 -0.034 1.00 0.00 O ATOM 401 CB LEU A 29 -9.986 -2.093 2.189 1.00 0.00 C ATOM 402 CG LEU A 29 -11.276 -2.792 2.621 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.023 -4.270 2.874 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.852 -2.128 3.863 1.00 0.00 C ATOM 0 H LEU A 29 -7.966 -0.973 1.022 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.607 -3.359 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.176 -2.440 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.098 -1.024 2.368 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.003 -2.702 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.952 -4.751 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.656 -4.738 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.279 -4.382 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.769 -2.638 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.128 -2.187 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.071 -1.082 3.648 1.00 0.00 H new ATOM 416 N ASP A 30 -11.088 -2.284 -1.158 1.00 0.00 N ATOM 417 CA ASP A 30 -12.029 -1.700 -2.106 1.00 0.00 C ATOM 418 C ASP A 30 -13.380 -1.444 -1.444 1.00 0.00 C ATOM 419 O ASP A 30 -13.679 -1.998 -0.386 1.00 0.00 O ATOM 420 CB ASP A 30 -12.206 -2.621 -3.315 1.00 0.00 C ATOM 421 CG ASP A 30 -11.052 -2.520 -4.293 1.00 0.00 C ATOM 422 OD1 ASP A 30 -10.574 -1.391 -4.532 1.00 0.00 O ATOM 423 OD2 ASP A 30 -10.627 -3.569 -4.820 1.00 0.00 O ATOM 0 H ASP A 30 -10.903 -3.276 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.623 -0.746 -2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.299 -3.652 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.135 -2.370 -3.827 1.00 0.00 H new ATOM 428 N TYR A 31 -14.191 -0.602 -2.074 1.00 0.00 N ATOM 429 CA TYR A 31 -15.508 -0.270 -1.544 1.00 0.00 C ATOM 430 C TYR A 31 -16.301 -1.533 -1.223 1.00 0.00 C ATOM 431 O TYR A 31 -17.287 -1.492 -0.486 1.00 0.00 O ATOM 432 CB TYR A 31 -16.282 0.590 -2.546 1.00 0.00 C ATOM 433 CG TYR A 31 -16.899 -0.203 -3.675 1.00 0.00 C ATOM 434 CD1 TYR A 31 -16.119 -0.679 -4.723 1.00 0.00 C ATOM 435 CD2 TYR A 31 -18.261 -0.476 -3.696 1.00 0.00 C ATOM 436 CE1 TYR A 31 -16.678 -1.403 -5.758 1.00 0.00 C ATOM 437 CE2 TYR A 31 -18.828 -1.201 -4.726 1.00 0.00 C ATOM 438 CZ TYR A 31 -18.033 -1.662 -5.754 1.00 0.00 C ATOM 439 OH TYR A 31 -18.595 -2.384 -6.783 1.00 0.00 O ATOM 0 H TYR A 31 -13.960 -0.137 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.368 0.294 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.070 1.128 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.610 1.339 -2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -15.058 -0.479 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.887 -0.115 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.058 -1.764 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -19.888 -1.406 -4.726 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.558 -2.479 -6.628 1.00 0.00 H new ATOM 449 N LEU A 32 -15.863 -2.656 -1.782 1.00 0.00 N ATOM 450 CA LEU A 32 -16.529 -3.934 -1.556 1.00 0.00 C ATOM 451 C LEU A 32 -15.831 -4.725 -0.455 1.00 0.00 C ATOM 452 O LEU A 32 -15.962 -5.946 -0.377 1.00 0.00 O ATOM 453 CB LEU A 32 -16.558 -4.752 -2.848 1.00 0.00 C ATOM 454 CG LEU A 32 -17.265 -4.102 -4.038 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.896 -4.814 -5.331 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.773 -4.112 -3.833 1.00 0.00 C ATOM 0 H LEU A 32 -15.049 -2.707 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.552 -3.731 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.531 -4.973 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.043 -5.706 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.935 -3.066 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.408 -4.338 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.818 -4.755 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.197 -5.860 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.260 -3.646 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.120 -5.141 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.021 -3.557 -2.928 1.00 0.00 H new ATOM 468 N GLN A 33 -15.091 -4.020 0.395 1.00 0.00 N ATOM 469 CA GLN A 33 -14.373 -4.657 1.493 1.00 0.00 C ATOM 470 C GLN A 33 -13.519 -5.815 0.986 1.00 0.00 C ATOM 471 O GLN A 33 -13.345 -6.820 1.674 1.00 0.00 O ATOM 472 CB GLN A 33 -15.358 -5.160 2.550 1.00 0.00 C ATOM 473 CG GLN A 33 -16.127 -4.046 3.244 1.00 0.00 C ATOM 474 CD GLN A 33 -16.506 -4.399 4.668 1.00 0.00 C ATOM 475 OE1 GLN A 33 -15.666 -4.829 5.459 1.00 0.00 O ATOM 476 NE2 GLN A 33 -17.778 -4.217 5.004 1.00 0.00 N ATOM 0 H GLN A 33 -14.973 -3.008 0.344 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.715 -3.914 1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.067 -5.841 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.813 -5.735 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.522 -3.139 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.030 -3.825 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.441 -3.858 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.092 -4.436 5.949 1.00 0.00 H new ATOM 485 N LYS A 34 -12.988 -5.666 -0.223 1.00 0.00 N ATOM 486 CA LYS A 34 -12.151 -6.698 -0.824 1.00 0.00 C ATOM 487 C LYS A 34 -10.672 -6.362 -0.661 1.00 0.00 C ATOM 488 O LYS A 34 -10.277 -5.199 -0.751 1.00 0.00 O ATOM 489 CB LYS A 34 -12.488 -6.857 -2.308 1.00 0.00 C ATOM 490 CG LYS A 34 -13.961 -7.117 -2.573 1.00 0.00 C ATOM 491 CD LYS A 34 -14.392 -8.474 -2.043 1.00 0.00 C ATOM 492 CE LYS A 34 -14.093 -9.582 -3.041 1.00 0.00 C ATOM 493 NZ LYS A 34 -15.160 -9.702 -4.074 1.00 0.00 N ATOM 0 H LYS A 34 -13.123 -4.840 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.351 -7.638 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.186 -5.955 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.903 -7.680 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.559 -6.336 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.153 -7.066 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.877 -8.680 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.460 -8.458 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.138 -9.385 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.992 -10.530 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.919 -10.468 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.067 -9.916 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.240 -8.806 -4.596 1.00 0.00 H new ATOM 507 N TRP A 35 -9.861 -7.386 -0.422 1.00 0.00 N ATOM 508 CA TRP A 35 -8.425 -7.198 -0.249 1.00 0.00 C ATOM 509 C TRP A 35 -7.667 -7.599 -1.509 1.00 0.00 C ATOM 510 O TRP A 35 -7.862 -8.692 -2.041 1.00 0.00 O ATOM 511 CB TRP A 35 -7.923 -8.014 0.944 1.00 0.00 C ATOM 512 CG TRP A 35 -8.505 -7.572 2.253 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.333 -8.291 3.066 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.303 -6.309 2.897 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.658 -7.552 4.178 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.038 -6.333 4.098 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.571 -5.163 2.578 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.062 -5.253 4.977 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.596 -4.092 3.451 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.337 -4.143 4.639 1.00 0.00 C ATOM 0 H TRP A 35 -10.173 -8.354 -0.344 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.243 -6.140 -0.060 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.164 -9.065 0.784 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.837 -7.940 0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.681 -9.293 2.865 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.263 -7.861 4.939 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.996 -5.115 1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.633 -5.290 5.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.035 -3.200 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.336 -3.290 5.301 1.00 0.00 H new ATOM 531 N TYR A 36 -6.802 -6.708 -1.983 1.00 0.00 N ATOM 532 CA TYR A 36 -6.016 -6.970 -3.183 1.00 0.00 C ATOM 533 C TYR A 36 -4.674 -6.246 -3.124 1.00 0.00 C ATOM 534 O TYR A 36 -4.520 -5.224 -2.454 1.00 0.00 O ATOM 535 CB TYR A 36 -6.789 -6.534 -4.429 1.00 0.00 C ATOM 536 CG TYR A 36 -8.036 -7.350 -4.684 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.952 -8.665 -5.123 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.299 -6.805 -4.486 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.088 -9.414 -5.358 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.441 -7.547 -4.717 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.331 -8.851 -5.154 1.00 0.00 C ATOM 542 OH TYR A 36 -11.465 -9.594 -5.386 1.00 0.00 O ATOM 0 H TYR A 36 -6.628 -5.799 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.828 -8.042 -3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.066 -5.485 -4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.134 -6.607 -5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.981 -9.110 -5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.389 -5.784 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.004 -10.435 -5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.415 -7.109 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.276 -10.541 -5.218 1.00 0.00 H new ATOM 552 N PRO A 37 -3.679 -6.787 -3.842 1.00 0.00 N ATOM 553 CA PRO A 37 -2.333 -6.209 -3.890 1.00 0.00 C ATOM 554 C PRO A 37 -2.295 -4.888 -4.651 1.00 0.00 C ATOM 555 O PRO A 37 -3.042 -4.691 -5.609 1.00 0.00 O ATOM 556 CB PRO A 37 -1.516 -7.274 -4.627 1.00 0.00 C ATOM 557 CG PRO A 37 -2.513 -8.011 -5.454 1.00 0.00 C ATOM 558 CD PRO A 37 -3.793 -8.003 -4.664 1.00 0.00 C ATOM 0 HA PRO A 37 -1.955 -5.974 -2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.744 -6.821 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.012 -7.941 -3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.649 -7.530 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.181 -9.031 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.667 -7.968 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.891 -8.897 -4.048 1.00 0.00 H new ATOM 566 N SER A 38 -1.421 -3.985 -4.217 1.00 0.00 N ATOM 567 CA SER A 38 -1.289 -2.681 -4.855 1.00 0.00 C ATOM 568 C SER A 38 0.076 -2.067 -4.560 1.00 0.00 C ATOM 569 O SER A 38 0.857 -2.611 -3.779 1.00 0.00 O ATOM 570 CB SER A 38 -2.398 -1.741 -4.378 1.00 0.00 C ATOM 571 OG SER A 38 -3.664 -2.164 -4.852 1.00 0.00 O ATOM 0 H SER A 38 -0.794 -4.133 -3.426 1.00 0.00 H new ATOM 0 HA SER A 38 -1.380 -2.821 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.407 -1.707 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.196 -0.728 -4.727 1.00 0.00 H new ATOM 0 HG SER A 38 -3.572 -3.030 -5.302 1.00 0.00 H new ATOM 577 N ARG A 39 0.356 -0.931 -5.189 1.00 0.00 N ATOM 578 CA ARG A 39 1.627 -0.243 -4.995 1.00 0.00 C ATOM 579 C ARG A 39 1.414 1.261 -4.852 1.00 0.00 C ATOM 580 O ARG A 39 0.350 1.782 -5.188 1.00 0.00 O ATOM 581 CB ARG A 39 2.568 -0.527 -6.167 1.00 0.00 C ATOM 582 CG ARG A 39 3.504 -1.700 -5.926 1.00 0.00 C ATOM 583 CD ARG A 39 4.826 -1.245 -5.327 1.00 0.00 C ATOM 584 NE ARG A 39 5.821 -0.952 -6.355 1.00 0.00 N ATOM 585 CZ ARG A 39 6.316 -1.868 -7.180 1.00 0.00 C ATOM 586 NH1 ARG A 39 5.910 -3.127 -7.098 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.219 -1.524 -8.090 1.00 0.00 N ATOM 0 H ARG A 39 -0.280 -0.467 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 39 2.079 -0.617 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.974 -0.725 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.161 0.365 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.027 -2.416 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.689 -2.218 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.661 -0.356 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.209 -2.020 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 39 6.154 0.008 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.216 -3.395 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.292 -3.828 -7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.533 -0.556 -8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.599 -2.228 -8.723 1.00 0.00 H new ATOM 601 N ILE A 40 2.433 1.953 -4.352 1.00 0.00 N ATOM 602 CA ILE A 40 2.357 3.396 -4.165 1.00 0.00 C ATOM 603 C ILE A 40 3.116 4.133 -5.264 1.00 0.00 C ATOM 604 O ILE A 40 4.343 4.217 -5.234 1.00 0.00 O ATOM 605 CB ILE A 40 2.922 3.817 -2.795 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.951 3.431 -1.678 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.196 5.313 -2.773 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.565 3.489 -0.297 1.00 0.00 C ATOM 0 H ILE A 40 3.320 1.537 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 40 1.302 3.665 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 40 3.863 3.292 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.088 4.096 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.582 2.422 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.595 5.596 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.921 5.562 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.269 5.855 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.819 3.203 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.410 2.803 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.908 4.503 -0.094 1.00 0.00 H new ATOM 620 N GLU A 41 2.376 4.667 -6.231 1.00 0.00 N ATOM 621 CA GLU A 41 2.980 5.398 -7.338 1.00 0.00 C ATOM 622 C GLU A 41 3.511 6.750 -6.872 1.00 0.00 C ATOM 623 O GLU A 41 4.636 7.133 -7.195 1.00 0.00 O ATOM 624 CB GLU A 41 1.961 5.598 -8.462 1.00 0.00 C ATOM 625 CG GLU A 41 1.744 4.359 -9.315 1.00 0.00 C ATOM 626 CD GLU A 41 1.353 4.693 -10.741 1.00 0.00 C ATOM 627 OE1 GLU A 41 2.036 5.534 -11.363 1.00 0.00 O ATOM 628 OE2 GLU A 41 0.364 4.113 -11.236 1.00 0.00 O ATOM 0 H GLU A 41 1.359 4.607 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 41 3.816 4.809 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.008 5.901 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.294 6.415 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.657 3.763 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.966 3.744 -8.864 1.00 0.00 H new ATOM 635 N LYS A 42 2.694 7.470 -6.112 1.00 0.00 N ATOM 636 CA LYS A 42 3.079 8.780 -5.599 1.00 0.00 C ATOM 637 C LYS A 42 2.519 9.002 -4.198 1.00 0.00 C ATOM 638 O LYS A 42 1.544 8.364 -3.801 1.00 0.00 O ATOM 639 CB LYS A 42 2.586 9.883 -6.539 1.00 0.00 C ATOM 640 CG LYS A 42 3.480 10.096 -7.748 1.00 0.00 C ATOM 641 CD LYS A 42 2.751 10.838 -8.856 1.00 0.00 C ATOM 642 CE LYS A 42 3.309 10.482 -10.226 1.00 0.00 C ATOM 643 NZ LYS A 42 4.745 10.855 -10.353 1.00 0.00 N ATOM 0 H LYS A 42 1.759 7.168 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 42 4.167 8.817 -5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.581 9.636 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.513 10.817 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.365 10.659 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.826 9.132 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.689 10.595 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.838 11.912 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.195 9.412 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.732 10.992 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.061 10.691 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.865 11.860 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.313 10.275 -9.703 1.00 0.00 H new ATOM 657 N ILE A 43 3.140 9.912 -3.455 1.00 0.00 N ATOM 658 CA ILE A 43 2.701 10.220 -2.100 1.00 0.00 C ATOM 659 C ILE A 43 2.700 11.725 -1.851 1.00 0.00 C ATOM 660 O ILE A 43 3.756 12.353 -1.779 1.00 0.00 O ATOM 661 CB ILE A 43 3.597 9.538 -1.049 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.583 8.021 -1.244 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.137 9.902 0.355 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.637 7.298 -0.434 1.00 0.00 C ATOM 0 H ILE A 43 3.949 10.449 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 43 1.685 9.837 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 43 4.620 9.893 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.600 7.637 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.731 7.797 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.780 9.413 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.193 10.982 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.108 9.572 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.568 6.226 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.626 7.654 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.477 7.492 0.627 1.00 0.00 H new ATOM 676 N ASP A 44 1.508 12.296 -1.719 1.00 0.00 N ATOM 677 CA ASP A 44 1.368 13.727 -1.475 1.00 0.00 C ATOM 678 C ASP A 44 1.326 14.021 0.021 1.00 0.00 C ATOM 679 O ASP A 44 0.338 13.727 0.694 1.00 0.00 O ATOM 680 CB ASP A 44 0.103 14.260 -2.148 1.00 0.00 C ATOM 681 CG ASP A 44 0.357 14.737 -3.565 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.335 14.266 -4.183 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.422 15.580 -4.056 1.00 0.00 O ATOM 0 H ASP A 44 0.624 11.790 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 44 2.236 14.230 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.655 13.477 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.300 15.083 -1.558 1.00 0.00 H new ATOM 688 N TYR A 45 2.405 14.602 0.535 1.00 0.00 N ATOM 689 CA TYR A 45 2.492 14.933 1.952 1.00 0.00 C ATOM 690 C TYR A 45 1.795 16.258 2.246 1.00 0.00 C ATOM 691 O TYR A 45 1.266 16.463 3.338 1.00 0.00 O ATOM 692 CB TYR A 45 3.956 15.007 2.390 1.00 0.00 C ATOM 693 CG TYR A 45 4.705 13.704 2.221 1.00 0.00 C ATOM 694 CD1 TYR A 45 5.048 13.236 0.959 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.070 12.942 3.324 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.731 12.046 0.799 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.755 11.752 3.174 1.00 0.00 C ATOM 698 CZ TYR A 45 6.083 11.308 1.910 1.00 0.00 C ATOM 699 OH TYR A 45 6.765 10.122 1.756 1.00 0.00 O ATOM 0 H TYR A 45 3.231 14.853 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 45 1.990 14.146 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.460 15.783 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.999 15.308 3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.776 13.813 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.814 13.286 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.988 11.696 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.032 11.172 4.042 1.00 0.00 H new ATOM 0 HH TYR A 45 6.937 9.727 2.636 1.00 0.00 H new ATOM 709 N GLU A 46 1.798 17.152 1.263 1.00 0.00 N ATOM 710 CA GLU A 46 1.165 18.457 1.416 1.00 0.00 C ATOM 711 C GLU A 46 -0.350 18.318 1.527 1.00 0.00 C ATOM 712 O GLU A 46 -1.009 19.109 2.201 1.00 0.00 O ATOM 713 CB GLU A 46 1.520 19.363 0.235 1.00 0.00 C ATOM 714 CG GLU A 46 1.271 20.837 0.502 1.00 0.00 C ATOM 715 CD GLU A 46 2.203 21.405 1.555 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.426 21.176 1.452 1.00 0.00 O ATOM 717 OE2 GLU A 46 1.707 22.079 2.483 1.00 0.00 O ATOM 0 H GLU A 46 2.231 16.997 0.353 1.00 0.00 H new ATOM 0 HA GLU A 46 1.539 18.907 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.571 19.221 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.938 19.057 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.393 21.396 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.239 20.975 0.824 1.00 0.00 H new ATOM 724 N GLU A 47 -0.896 17.306 0.859 1.00 0.00 N ATOM 725 CA GLU A 47 -2.334 17.064 0.881 1.00 0.00 C ATOM 726 C GLU A 47 -2.688 15.981 1.896 1.00 0.00 C ATOM 727 O GLU A 47 -3.699 16.071 2.590 1.00 0.00 O ATOM 728 CB GLU A 47 -2.826 16.656 -0.509 1.00 0.00 C ATOM 729 CG GLU A 47 -3.067 17.833 -1.439 1.00 0.00 C ATOM 730 CD GLU A 47 -3.865 18.942 -0.782 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.067 18.729 -0.515 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.289 20.022 -0.534 1.00 0.00 O ATOM 0 H GLU A 47 -0.365 16.641 0.297 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.828 17.990 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.093 15.989 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.752 16.090 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.108 18.229 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.596 17.487 -2.327 1.00 0.00 H new ATOM 739 N GLY A 48 -1.845 14.955 1.976 1.00 0.00 N ATOM 740 CA GLY A 48 -2.086 13.868 2.907 1.00 0.00 C ATOM 741 C GLY A 48 -2.648 12.635 2.227 1.00 0.00 C ATOM 742 O GLY A 48 -3.396 11.869 2.834 1.00 0.00 O ATOM 0 H GLY A 48 -1.000 14.858 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.153 13.609 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.780 14.202 3.678 1.00 0.00 H new ATOM 746 N LYS A 49 -2.288 12.444 0.963 1.00 0.00 N ATOM 747 CA LYS A 49 -2.761 11.296 0.198 1.00 0.00 C ATOM 748 C LYS A 49 -1.617 10.651 -0.578 1.00 0.00 C ATOM 749 O LYS A 49 -0.468 11.081 -0.481 1.00 0.00 O ATOM 750 CB LYS A 49 -3.870 11.721 -0.766 1.00 0.00 C ATOM 751 CG LYS A 49 -3.492 12.900 -1.646 1.00 0.00 C ATOM 752 CD LYS A 49 -4.440 13.043 -2.825 1.00 0.00 C ATOM 753 CE LYS A 49 -3.810 13.845 -3.953 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.664 13.852 -5.173 1.00 0.00 N ATOM 0 H LYS A 49 -1.670 13.069 0.446 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.160 10.563 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.133 10.874 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.760 11.978 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.505 13.815 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.473 12.771 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.718 12.055 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.358 13.532 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.643 14.870 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.834 13.425 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.383 14.642 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.545 12.955 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.661 13.965 -4.898 1.00 0.00 H new ATOM 768 N MET A 50 -1.940 9.618 -1.350 1.00 0.00 N ATOM 769 CA MET A 50 -0.939 8.917 -2.146 1.00 0.00 C ATOM 770 C MET A 50 -1.589 8.190 -3.319 1.00 0.00 C ATOM 771 O MET A 50 -2.670 7.614 -3.184 1.00 0.00 O ATOM 772 CB MET A 50 -0.172 7.920 -1.275 1.00 0.00 C ATOM 773 CG MET A 50 -0.998 7.349 -0.133 1.00 0.00 C ATOM 774 SD MET A 50 -0.222 5.914 0.635 1.00 0.00 S ATOM 775 CE MET A 50 -1.522 4.694 0.464 1.00 0.00 C ATOM 0 H MET A 50 -2.886 9.248 -1.441 1.00 0.00 H new ATOM 0 HA MET A 50 -0.242 9.656 -2.541 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.183 7.101 -1.901 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.710 8.412 -0.864 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.151 8.121 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.983 7.068 -0.507 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.145 3.716 0.762 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.364 4.968 1.100 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.850 4.655 -0.575 1.00 0.00 H new ATOM 785 N LEU A 51 -0.925 8.220 -4.469 1.00 0.00 N ATOM 786 CA LEU A 51 -1.438 7.564 -5.666 1.00 0.00 C ATOM 787 C LEU A 51 -1.121 6.072 -5.649 1.00 0.00 C ATOM 788 O LEU A 51 -0.003 5.661 -5.962 1.00 0.00 O ATOM 789 CB LEU A 51 -0.843 8.209 -6.920 1.00 0.00 C ATOM 790 CG LEU A 51 -1.704 8.143 -8.181 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.880 8.497 -9.409 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.324 6.762 -8.333 1.00 0.00 C ATOM 0 H LEU A 51 -0.030 8.692 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.521 7.686 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.634 9.256 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.113 7.730 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.509 8.872 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.510 8.445 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.485 9.507 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.054 7.793 -9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.933 6.734 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.534 6.014 -8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.949 6.547 -7.467 1.00 0.00 H new ATOM 804 N VAL A 52 -2.112 5.266 -5.282 1.00 0.00 N ATOM 805 CA VAL A 52 -1.940 3.819 -5.227 1.00 0.00 C ATOM 806 C VAL A 52 -2.464 3.155 -6.495 1.00 0.00 C ATOM 807 O VAL A 52 -3.514 3.530 -7.017 1.00 0.00 O ATOM 808 CB VAL A 52 -2.661 3.214 -4.008 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.145 3.548 -4.045 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.445 1.709 -3.955 1.00 0.00 C ATOM 0 H VAL A 52 -3.042 5.590 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.870 3.631 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.238 3.651 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.638 3.112 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.275 4.630 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.587 3.141 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.961 1.298 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.840 1.253 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.379 1.497 -3.877 1.00 0.00 H new ATOM 820 N HIS A 53 -1.726 2.164 -6.986 1.00 0.00 N ATOM 821 CA HIS A 53 -2.116 1.445 -8.194 1.00 0.00 C ATOM 822 C HIS A 53 -2.661 0.063 -7.850 1.00 0.00 C ATOM 823 O HIS A 53 -2.076 -0.665 -7.048 1.00 0.00 O ATOM 824 CB HIS A 53 -0.925 1.315 -9.143 1.00 0.00 C ATOM 825 CG HIS A 53 -0.980 0.095 -10.009 1.00 0.00 C ATOM 826 ND1 HIS A 53 -1.509 0.098 -11.283 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.566 -1.174 -9.779 1.00 0.00 C ATOM 828 CE1 HIS A 53 -1.420 -1.115 -11.797 1.00 0.00 C ATOM 829 NE2 HIS A 53 -0.851 -1.906 -10.905 1.00 0.00 N ATOM 0 H HIS A 53 -0.855 1.841 -6.566 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.903 2.014 -8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.879 2.200 -9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.005 1.294 -8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.099 -1.542 -8.877 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.756 -1.410 -12.780 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.655 -2.899 -11.032 1.00 0.00 H new ATOM 837 N PHE A 54 -3.786 -0.293 -8.462 1.00 0.00 N ATOM 838 CA PHE A 54 -4.412 -1.588 -8.219 1.00 0.00 C ATOM 839 C PHE A 54 -3.887 -2.637 -9.195 1.00 0.00 C ATOM 840 O PHE A 54 -3.599 -2.333 -10.352 1.00 0.00 O ATOM 841 CB PHE A 54 -5.933 -1.475 -8.344 1.00 0.00 C ATOM 842 CG PHE A 54 -6.589 -0.859 -7.141 1.00 0.00 C ATOM 843 CD1 PHE A 54 -6.903 -1.632 -6.035 1.00 0.00 C ATOM 844 CD2 PHE A 54 -6.891 0.493 -7.117 1.00 0.00 C ATOM 845 CE1 PHE A 54 -7.506 -1.069 -4.926 1.00 0.00 C ATOM 846 CE2 PHE A 54 -7.494 1.062 -6.011 1.00 0.00 C ATOM 847 CZ PHE A 54 -7.803 0.280 -4.915 1.00 0.00 C ATOM 0 H PHE A 54 -4.283 0.297 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.160 -1.901 -7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.174 -0.879 -9.224 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.351 -2.468 -8.507 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.674 -2.687 -6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.653 1.109 -7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.744 -1.683 -4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.723 2.117 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.276 0.723 -4.051 1.00 0.00 H new ATOM 857 N GLU A 55 -3.764 -3.872 -8.718 1.00 0.00 N ATOM 858 CA GLU A 55 -3.272 -4.965 -9.548 1.00 0.00 C ATOM 859 C GLU A 55 -4.428 -5.814 -10.071 1.00 0.00 C ATOM 860 O GLU A 55 -4.588 -5.987 -11.279 1.00 0.00 O ATOM 861 CB GLU A 55 -2.301 -5.841 -8.754 1.00 0.00 C ATOM 862 CG GLU A 55 -1.315 -5.047 -7.912 1.00 0.00 C ATOM 863 CD GLU A 55 -0.039 -4.720 -8.662 1.00 0.00 C ATOM 864 OE1 GLU A 55 0.323 -5.485 -9.581 1.00 0.00 O ATOM 865 OE2 GLU A 55 0.599 -3.699 -8.330 1.00 0.00 O ATOM 0 H GLU A 55 -3.998 -4.140 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.747 -4.532 -10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.871 -6.503 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.747 -6.475 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.787 -4.121 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.069 -5.615 -7.015 1.00 0.00 H new ATOM 872 N ARG A 56 -5.230 -6.341 -9.152 1.00 0.00 N ATOM 873 CA ARG A 56 -6.370 -7.173 -9.519 1.00 0.00 C ATOM 874 C ARG A 56 -7.660 -6.358 -9.520 1.00 0.00 C ATOM 875 O ARG A 56 -7.651 -5.163 -9.222 1.00 0.00 O ATOM 876 CB ARG A 56 -6.500 -8.352 -8.552 1.00 0.00 C ATOM 877 CG ARG A 56 -5.609 -9.531 -8.907 1.00 0.00 C ATOM 878 CD ARG A 56 -6.219 -10.847 -8.450 1.00 0.00 C ATOM 879 NE ARG A 56 -5.943 -11.119 -7.042 1.00 0.00 N ATOM 880 CZ ARG A 56 -4.812 -11.663 -6.607 1.00 0.00 C ATOM 881 NH1 ARG A 56 -3.857 -11.992 -7.466 1.00 0.00 N ATOM 882 NH2 ARG A 56 -4.635 -11.880 -5.310 1.00 0.00 N ATOM 0 H ARG A 56 -5.112 -6.207 -8.148 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.201 -7.554 -10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.257 -8.014 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.538 -8.684 -8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.450 -9.557 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.631 -9.402 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.297 -10.822 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.826 -11.660 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.658 -10.878 -6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.990 -11.827 -8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.990 -12.410 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.368 -11.629 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.766 -12.298 -4.977 1.00 0.00 H new ATOM 896 N TRP A 57 -8.766 -7.011 -9.858 1.00 0.00 N ATOM 897 CA TRP A 57 -10.063 -6.347 -9.899 1.00 0.00 C ATOM 898 C TRP A 57 -9.921 -4.901 -10.363 1.00 0.00 C ATOM 899 O TRP A 57 -10.591 -4.006 -9.849 1.00 0.00 O ATOM 900 CB TRP A 57 -10.725 -6.390 -8.521 1.00 0.00 C ATOM 901 CG TRP A 57 -12.095 -5.781 -8.500 1.00 0.00 C ATOM 902 CD1 TRP A 57 -13.263 -6.379 -8.880 1.00 0.00 C ATOM 903 CD2 TRP A 57 -12.437 -4.456 -8.081 1.00 0.00 C ATOM 904 NE1 TRP A 57 -14.311 -5.504 -8.721 1.00 0.00 N ATOM 905 CE2 TRP A 57 -13.831 -4.319 -8.231 1.00 0.00 C ATOM 906 CE3 TRP A 57 -11.703 -3.373 -7.590 1.00 0.00 C ATOM 907 CZ2 TRP A 57 -14.502 -3.141 -7.910 1.00 0.00 C ATOM 908 CZ3 TRP A 57 -12.370 -2.206 -7.272 1.00 0.00 C ATOM 909 CH2 TRP A 57 -13.758 -2.097 -7.432 1.00 0.00 C ATOM 0 H TRP A 57 -8.790 -8.000 -10.108 1.00 0.00 H new ATOM 0 HA TRP A 57 -10.692 -6.878 -10.614 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.791 -7.426 -8.190 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -10.091 -5.866 -7.805 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.350 -7.390 -9.251 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.288 -5.705 -8.934 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -10.633 -3.447 -7.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.571 -3.055 -8.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -11.812 -1.362 -6.893 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -14.250 -1.171 -7.173 1.00 0.00 H new ATOM 920 N SER A 58 -9.044 -4.680 -11.337 1.00 0.00 N ATOM 921 CA SER A 58 -8.811 -3.342 -11.867 1.00 0.00 C ATOM 922 C SER A 58 -7.850 -3.386 -13.051 1.00 0.00 C ATOM 923 O SER A 58 -6.744 -3.918 -12.948 1.00 0.00 O ATOM 924 CB SER A 58 -8.251 -2.428 -10.775 1.00 0.00 C ATOM 925 OG SER A 58 -8.635 -1.081 -10.991 1.00 0.00 O ATOM 0 H SER A 58 -8.483 -5.411 -11.775 1.00 0.00 H new ATOM 0 HA SER A 58 -9.765 -2.943 -12.211 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.609 -2.760 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.164 -2.501 -10.757 1.00 0.00 H new ATOM 0 HG SER A 58 -8.266 -0.518 -10.279 1.00 0.00 H new ATOM 931 N HIS A 59 -8.280 -2.823 -14.176 1.00 0.00 N ATOM 932 CA HIS A 59 -7.458 -2.797 -15.381 1.00 0.00 C ATOM 933 C HIS A 59 -6.251 -1.882 -15.195 1.00 0.00 C ATOM 934 O HIS A 59 -6.176 -0.808 -15.792 1.00 0.00 O ATOM 935 CB HIS A 59 -8.286 -2.331 -16.578 1.00 0.00 C ATOM 936 CG HIS A 59 -7.543 -2.386 -17.878 1.00 0.00 C ATOM 937 ND1 HIS A 59 -7.883 -1.618 -18.972 1.00 0.00 N ATOM 938 CD2 HIS A 59 -6.471 -3.121 -18.254 1.00 0.00 C ATOM 939 CE1 HIS A 59 -7.054 -1.880 -19.966 1.00 0.00 C ATOM 940 NE2 HIS A 59 -6.187 -2.789 -19.556 1.00 0.00 N ATOM 0 H HIS A 59 -9.193 -2.379 -14.278 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.099 -3.809 -15.569 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.180 -2.949 -16.654 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.620 -1.308 -16.403 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.938 -3.835 -17.644 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.080 -1.428 -20.947 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.430 -3.181 -20.116 1.00 0.00 H new ATOM 948 N ARG A 60 -5.309 -2.315 -14.364 1.00 0.00 N ATOM 949 CA ARG A 60 -4.106 -1.534 -14.098 1.00 0.00 C ATOM 950 C ARG A 60 -4.457 -0.077 -13.813 1.00 0.00 C ATOM 951 O ARG A 60 -3.717 0.834 -14.184 1.00 0.00 O ATOM 952 CB ARG A 60 -3.147 -1.616 -15.287 1.00 0.00 C ATOM 953 CG ARG A 60 -2.466 -2.967 -15.429 1.00 0.00 C ATOM 954 CD ARG A 60 -1.089 -2.834 -16.060 1.00 0.00 C ATOM 955 NE ARG A 60 -0.089 -2.376 -15.099 1.00 0.00 N ATOM 956 CZ ARG A 60 1.038 -1.763 -15.447 1.00 0.00 C ATOM 957 NH1 ARG A 60 1.306 -1.537 -16.725 1.00 0.00 N ATOM 958 NH2 ARG A 60 1.898 -1.376 -14.514 1.00 0.00 N ATOM 0 H ARG A 60 -5.355 -3.202 -13.863 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.618 -1.951 -13.217 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.697 -1.398 -16.202 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.385 -0.844 -15.182 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.374 -3.434 -14.448 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.085 -3.625 -16.039 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.784 -3.797 -16.470 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.138 -2.134 -16.894 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.265 -2.535 -14.107 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.647 -1.834 -17.445 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.172 -1.066 -16.989 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.694 -1.549 -13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.763 -0.906 -14.781 1.00 0.00 H new ATOM 972 N TYR A 61 -5.589 0.135 -13.151 1.00 0.00 N ATOM 973 CA TYR A 61 -6.039 1.481 -12.818 1.00 0.00 C ATOM 974 C TYR A 61 -5.292 2.020 -11.602 1.00 0.00 C ATOM 975 O TYR A 61 -4.831 1.256 -10.754 1.00 0.00 O ATOM 976 CB TYR A 61 -7.545 1.486 -12.549 1.00 0.00 C ATOM 977 CG TYR A 61 -8.229 2.770 -12.959 1.00 0.00 C ATOM 978 CD1 TYR A 61 -8.235 3.184 -14.285 1.00 0.00 C ATOM 979 CD2 TYR A 61 -8.869 3.571 -12.020 1.00 0.00 C ATOM 980 CE1 TYR A 61 -8.859 4.357 -14.665 1.00 0.00 C ATOM 981 CE2 TYR A 61 -9.496 4.744 -12.391 1.00 0.00 C ATOM 982 CZ TYR A 61 -9.488 5.133 -13.714 1.00 0.00 C ATOM 983 OH TYR A 61 -10.110 6.303 -14.087 1.00 0.00 O ATOM 0 H TYR A 61 -6.212 -0.608 -12.834 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.826 2.129 -13.669 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.004 0.654 -13.083 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.716 1.316 -11.486 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.743 2.579 -15.032 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.876 3.271 -10.983 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.854 4.664 -15.700 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.990 5.354 -11.649 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.505 6.729 -13.298 1.00 0.00 H new ATOM 993 N ASP A 62 -5.176 3.341 -11.525 1.00 0.00 N ATOM 994 CA ASP A 62 -4.487 3.985 -10.413 1.00 0.00 C ATOM 995 C ASP A 62 -5.345 5.093 -9.810 1.00 0.00 C ATOM 996 O ASP A 62 -5.869 5.944 -10.527 1.00 0.00 O ATOM 997 CB ASP A 62 -3.147 4.557 -10.878 1.00 0.00 C ATOM 998 CG ASP A 62 -3.288 5.443 -12.100 1.00 0.00 C ATOM 999 OD1 ASP A 62 -3.510 4.901 -13.203 1.00 0.00 O ATOM 1000 OD2 ASP A 62 -3.176 6.678 -11.954 1.00 0.00 O ATOM 0 H ASP A 62 -5.550 3.987 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.306 3.232 -9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.699 5.131 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.464 3.738 -11.104 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.484 5.073 -8.488 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.280 6.075 -7.789 1.00 0.00 C ATOM 1007 C GLU A 63 -5.579 6.535 -6.514 1.00 0.00 C ATOM 1008 O GLU A 63 -4.773 5.804 -5.938 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.662 5.514 -7.450 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.417 6.338 -6.420 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.693 5.663 -5.955 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.600 4.713 -5.149 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.783 6.084 -6.395 1.00 0.00 O ATOM 0 H GLU A 63 -5.056 4.375 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.396 6.935 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.255 5.456 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.550 4.496 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.772 6.518 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.660 7.312 -6.846 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.891 7.751 -6.081 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.290 8.309 -4.874 1.00 0.00 C ATOM 1022 C TRP A 64 -6.068 7.886 -3.633 1.00 0.00 C ATOM 1023 O TRP A 64 -7.292 8.007 -3.586 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.241 9.836 -4.964 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.306 10.338 -6.023 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.537 10.379 -7.368 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.992 10.870 -5.823 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.446 10.903 -8.017 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.485 11.213 -7.092 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.195 11.091 -4.697 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.217 11.764 -7.262 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.937 11.637 -4.868 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.458 11.969 -6.142 1.00 0.00 C ATOM 0 H TRP A 64 -6.556 8.369 -6.546 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.274 7.923 -4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.243 10.213 -5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.936 10.240 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.445 10.048 -7.851 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.365 11.039 -9.025 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.556 10.840 -3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.846 12.020 -8.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.312 11.811 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.529 12.395 -6.242 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.350 7.390 -2.631 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.974 6.951 -1.389 1.00 0.00 C ATOM 1046 C ILE A 65 -5.281 7.565 -0.178 1.00 0.00 C ATOM 1047 O ILE A 65 -4.069 7.431 -0.009 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.947 5.416 -1.258 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.697 4.770 -2.424 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.552 4.988 0.071 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.653 3.258 -2.407 1.00 0.00 C ATOM 0 H ILE A 65 -4.336 7.282 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.010 7.287 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.910 5.081 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.737 5.095 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.271 5.127 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.526 3.901 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.979 5.425 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.585 5.331 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.205 2.868 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.617 2.924 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.105 2.891 -1.486 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.059 8.239 0.663 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.520 8.875 1.859 1.00 0.00 C ATOM 1065 C TYR A 66 -4.710 7.882 2.686 1.00 0.00 C ATOM 1066 O TYR A 66 -5.245 6.895 3.191 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.652 9.458 2.706 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.224 10.742 2.151 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.391 11.757 1.696 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.598 10.943 2.083 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.909 12.933 1.189 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.124 12.115 1.576 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.276 13.107 1.131 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.797 14.276 0.626 1.00 0.00 O ATOM 0 H TYR A 66 -7.064 8.359 0.538 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.858 9.682 1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.450 8.720 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.282 9.641 3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.320 11.624 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.265 10.169 2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.247 13.712 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.194 12.254 1.528 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.776 14.237 0.655 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.416 8.151 2.821 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.531 7.282 3.588 1.00 0.00 C ATOM 1086 C TRP A 67 -2.985 7.187 5.040 1.00 0.00 C ATOM 1087 O TRP A 67 -2.467 6.378 5.810 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.093 7.800 3.523 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.965 9.246 3.894 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.983 10.118 4.159 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.250 9.990 4.038 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.474 11.358 4.460 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.107 11.306 4.393 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.604 9.672 3.905 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.843 12.300 4.614 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.545 10.660 4.124 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.161 11.961 4.476 1.00 0.00 C ATOM 0 H TRP A 67 -2.957 8.964 2.409 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.571 6.285 3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.470 7.205 4.190 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.708 7.656 2.514 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.034 9.869 4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.025 12.184 4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.910 8.672 3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.549 13.303 4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.594 10.426 4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.921 12.711 4.642 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.954 8.017 5.408 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.479 8.026 6.768 1.00 0.00 C ATOM 1110 C ASP A 68 -5.881 7.427 6.814 1.00 0.00 C ATOM 1111 O ASP A 68 -6.649 7.689 7.739 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.502 9.452 7.320 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.733 10.222 6.883 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.843 10.527 5.677 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.584 10.520 7.746 1.00 0.00 O ATOM 0 H ASP A 68 -4.392 8.693 4.783 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.822 7.416 7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.466 9.418 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.609 9.981 6.988 1.00 0.00 H new ATOM 1120 N SER A 69 -6.208 6.622 5.807 1.00 0.00 N ATOM 1121 CA SER A 69 -7.520 5.990 5.730 1.00 0.00 C ATOM 1122 C SER A 69 -7.553 4.704 6.550 1.00 0.00 C ATOM 1123 O SER A 69 -8.605 4.293 7.038 1.00 0.00 O ATOM 1124 CB SER A 69 -7.879 5.688 4.273 1.00 0.00 C ATOM 1125 OG SER A 69 -9.283 5.696 4.082 1.00 0.00 O ATOM 0 H SER A 69 -5.583 6.393 5.034 1.00 0.00 H new ATOM 0 HA SER A 69 -8.254 6.682 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.416 6.428 3.620 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.476 4.716 3.990 1.00 0.00 H new ATOM 0 HG SER A 69 -9.483 5.839 3.133 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.392 4.074 6.698 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.286 2.835 7.459 1.00 0.00 C ATOM 1133 C ASN A 70 -7.021 1.699 6.753 1.00 0.00 C ATOM 1134 O ASN A 70 -7.495 0.760 7.393 1.00 0.00 O ATOM 1135 CB ASN A 70 -6.853 3.026 8.867 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.400 4.327 9.501 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.053 5.361 9.357 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.276 4.282 10.206 1.00 0.00 N ATOM 0 H ASN A 70 -5.511 4.401 6.301 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.231 2.572 7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.942 3.006 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.544 2.191 9.496 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.921 5.127 10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.767 3.403 10.299 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.110 1.791 5.430 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.786 0.772 4.637 1.00 0.00 C ATOM 1147 C ARG A 71 -6.779 -0.066 3.855 1.00 0.00 C ATOM 1148 O ARG A 71 -7.132 -0.727 2.877 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.782 1.422 3.675 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.811 2.302 4.366 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.557 3.174 3.369 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.614 3.954 4.007 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.653 4.459 3.352 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.775 4.265 2.046 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.574 5.158 4.003 1.00 0.00 N ATOM 0 H ARG A 71 -6.722 2.561 4.885 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.326 0.115 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.234 2.021 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.300 0.641 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.521 1.677 4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.315 2.933 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.854 3.848 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.990 2.546 2.591 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.551 4.120 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.070 3.727 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.574 4.654 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.485 5.308 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.371 5.545 3.498 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.525 -0.034 4.291 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.466 -0.789 3.632 1.00 0.00 C ATOM 1171 C LEU A 72 -3.833 -1.791 4.593 1.00 0.00 C ATOM 1172 O LEU A 72 -3.808 -1.574 5.804 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.396 0.160 3.090 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.901 1.490 2.530 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.858 2.581 2.722 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.260 1.347 1.058 1.00 0.00 C ATOM 0 H LEU A 72 -5.217 0.507 5.099 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.909 -1.339 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.687 0.371 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.845 -0.357 2.304 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.800 1.774 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.235 3.520 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.649 2.702 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.941 2.304 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.618 2.303 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.378 1.039 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.042 0.596 0.946 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.321 -2.888 4.043 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.687 -3.923 4.851 1.00 0.00 C ATOM 1190 C ARG A 73 -1.268 -4.200 4.363 1.00 0.00 C ATOM 1191 O ARG A 73 -0.938 -4.005 3.193 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.513 -5.210 4.809 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.014 -4.972 4.850 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.750 -6.160 5.450 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.613 -7.360 4.628 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.066 -8.555 4.991 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.682 -8.708 6.155 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -5.904 -9.599 4.188 1.00 0.00 N ATOM 0 H ARG A 73 -3.333 -3.083 3.042 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.636 -3.566 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.266 -5.761 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.230 -5.841 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.226 -4.078 5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.382 -4.787 3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.363 -6.359 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.806 -5.914 5.560 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.144 -7.276 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.809 -7.907 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.029 -9.626 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.431 -9.484 3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.252 -10.516 4.467 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.408 -4.666 5.280 1.00 0.00 N ATOM 1213 CA PRO A 74 0.989 -4.981 4.967 1.00 0.00 C ATOM 1214 C PRO A 74 1.121 -6.211 4.075 1.00 0.00 C ATOM 1215 O PRO A 74 1.178 -7.340 4.563 1.00 0.00 O ATOM 1216 CB PRO A 74 1.610 -5.247 6.341 1.00 0.00 C ATOM 1217 CG PRO A 74 0.468 -5.678 7.195 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.732 -4.923 6.693 1.00 0.00 C ATOM 0 HA PRO A 74 1.474 -4.176 4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.377 -6.019 6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.087 -4.352 6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.311 -6.754 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.659 -5.454 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.646 -5.508 6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.883 -3.996 7.246 1.00 0.00 H new ATOM 1226 N LEU A 75 1.170 -5.985 2.767 1.00 0.00 N ATOM 1227 CA LEU A 75 1.296 -7.076 1.807 1.00 0.00 C ATOM 1228 C LEU A 75 2.548 -7.902 2.082 1.00 0.00 C ATOM 1229 O LEU A 75 3.643 -7.359 2.223 1.00 0.00 O ATOM 1230 CB LEU A 75 1.339 -6.524 0.381 1.00 0.00 C ATOM 1231 CG LEU A 75 1.553 -7.551 -0.731 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.299 -8.387 -0.935 1.00 0.00 C ATOM 1233 CD2 LEU A 75 1.953 -6.860 -2.026 1.00 0.00 C ATOM 0 H LEU A 75 1.124 -5.057 2.347 1.00 0.00 H new ATOM 0 HA LEU A 75 0.426 -7.723 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.403 -5.999 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.137 -5.784 0.323 1.00 0.00 H new ATOM 0 HG LEU A 75 2.363 -8.217 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.471 -9.112 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.058 -8.912 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.531 -7.736 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.101 -7.607 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.165 -6.170 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.880 -6.307 -1.872 1.00 0.00 H new ATOM 1245 N GLU A 76 2.378 -9.219 2.156 1.00 0.00 N ATOM 1246 CA GLU A 76 3.495 -10.119 2.413 1.00 0.00 C ATOM 1247 C GLU A 76 4.269 -10.407 1.130 1.00 0.00 C ATOM 1248 O GLU A 76 3.728 -10.975 0.181 1.00 0.00 O ATOM 1249 CB GLU A 76 2.993 -11.430 3.024 1.00 0.00 C ATOM 1250 CG GLU A 76 2.424 -11.270 4.423 1.00 0.00 C ATOM 1251 CD GLU A 76 2.203 -12.600 5.118 1.00 0.00 C ATOM 1252 OE1 GLU A 76 1.855 -13.580 4.426 1.00 0.00 O ATOM 1253 OE2 GLU A 76 2.377 -12.661 6.353 1.00 0.00 O ATOM 0 H GLU A 76 1.478 -9.685 2.042 1.00 0.00 H new ATOM 0 HA GLU A 76 4.166 -9.630 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.226 -11.853 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.815 -12.145 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.103 -10.661 5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.478 -10.732 4.367 1.00 0.00 H new ATOM 1260 N ARG A 77 5.537 -10.010 1.109 1.00 0.00 N ATOM 1261 CA ARG A 77 6.385 -10.223 -0.058 1.00 0.00 C ATOM 1262 C ARG A 77 7.609 -11.058 0.305 1.00 0.00 C ATOM 1263 O ARG A 77 8.148 -10.968 1.408 1.00 0.00 O ATOM 1264 CB ARG A 77 6.825 -8.882 -0.647 1.00 0.00 C ATOM 1265 CG ARG A 77 8.018 -8.266 0.066 1.00 0.00 C ATOM 1266 CD ARG A 77 8.316 -6.868 -0.453 1.00 0.00 C ATOM 1267 NE ARG A 77 9.117 -6.094 0.491 1.00 0.00 N ATOM 1268 CZ ARG A 77 9.155 -4.766 0.506 1.00 0.00 C ATOM 1269 NH1 ARG A 77 8.441 -4.069 -0.367 1.00 0.00 N ATOM 1270 NH2 ARG A 77 9.908 -4.132 1.396 1.00 0.00 N ATOM 0 H ARG A 77 6.000 -9.539 1.887 1.00 0.00 H new ATOM 0 HA ARG A 77 5.804 -10.766 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.073 -9.021 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.988 -8.185 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.821 -8.223 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.893 -8.901 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.844 -6.939 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.379 -6.346 -0.647 1.00 0.00 H new ATOM 0 HE ARG A 77 9.678 -6.600 1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.861 -4.552 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.472 -3.050 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.459 -4.664 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.936 -3.112 1.406 1.00 0.00 H new ATOM 1284 N PRO A 78 8.060 -11.892 -0.644 1.00 0.00 N ATOM 1285 CA PRO A 78 9.225 -12.759 -0.448 1.00 0.00 C ATOM 1286 C PRO A 78 10.529 -11.972 -0.382 1.00 0.00 C ATOM 1287 O PRO A 78 10.655 -10.909 -0.990 1.00 0.00 O ATOM 1288 CB PRO A 78 9.208 -13.662 -1.684 1.00 0.00 C ATOM 1289 CG PRO A 78 8.489 -12.871 -2.721 1.00 0.00 C ATOM 1290 CD PRO A 78 7.467 -12.052 -1.983 1.00 0.00 C ATOM 0 HA PRO A 78 9.173 -13.303 0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.219 -13.911 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.698 -14.603 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.179 -12.231 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.012 -13.526 -3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.299 -11.089 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.503 -12.558 -1.938 1.00 0.00 H new ATOM 1298 N ALA A 79 11.498 -12.500 0.358 1.00 0.00 N ATOM 1299 CA ALA A 79 12.794 -11.848 0.501 1.00 0.00 C ATOM 1300 C ALA A 79 13.930 -12.798 0.139 1.00 0.00 C ATOM 1301 O ALA A 79 14.555 -13.397 1.015 1.00 0.00 O ATOM 1302 CB ALA A 79 12.970 -11.328 1.920 1.00 0.00 C ATOM 0 H ALA A 79 11.410 -13.379 0.868 1.00 0.00 H new ATOM 0 HA ALA A 79 12.827 -11.005 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.942 -10.844 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.183 -10.608 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.911 -12.160 2.622 1.00 0.00 H new ATOM 1308 N LEU A 80 14.192 -12.933 -1.157 1.00 0.00 N ATOM 1309 CA LEU A 80 15.254 -13.811 -1.635 1.00 0.00 C ATOM 1310 C LEU A 80 16.627 -13.226 -1.324 1.00 0.00 C ATOM 1311 O LEU A 80 17.137 -12.384 -2.065 1.00 0.00 O ATOM 1312 CB LEU A 80 15.114 -14.040 -3.141 1.00 0.00 C ATOM 1313 CG LEU A 80 14.870 -12.792 -3.990 1.00 0.00 C ATOM 1314 CD1 LEU A 80 15.470 -12.964 -5.376 1.00 0.00 C ATOM 1315 CD2 LEU A 80 13.380 -12.495 -4.085 1.00 0.00 C ATOM 0 H LEU A 80 13.684 -12.446 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 80 15.162 -14.766 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.020 -14.528 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 80 14.291 -14.735 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 80 15.359 -11.946 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.286 -12.066 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.544 -13.128 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 15.010 -13.821 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.225 -11.604 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.869 -13.341 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.978 -12.327 -3.086 1.00 0.00 H new ATOM 1327 N ARG A 81 17.223 -13.677 -0.225 1.00 0.00 N ATOM 1328 CA ARG A 81 18.538 -13.199 0.183 1.00 0.00 C ATOM 1329 C ARG A 81 19.529 -14.354 0.286 1.00 0.00 C ATOM 1330 O ARG A 81 19.733 -14.918 1.361 1.00 0.00 O ATOM 1331 CB ARG A 81 18.445 -12.471 1.526 1.00 0.00 C ATOM 1332 CG ARG A 81 19.677 -11.644 1.857 1.00 0.00 C ATOM 1333 CD ARG A 81 19.499 -10.876 3.157 1.00 0.00 C ATOM 1334 NE ARG A 81 18.669 -9.687 2.982 1.00 0.00 N ATOM 1335 CZ ARG A 81 19.116 -8.549 2.464 1.00 0.00 C ATOM 1336 NH1 ARG A 81 20.379 -8.445 2.073 1.00 0.00 N ATOM 1337 NH2 ARG A 81 18.300 -7.511 2.337 1.00 0.00 N ATOM 0 H ARG A 81 16.815 -14.373 0.399 1.00 0.00 H new ATOM 0 HA ARG A 81 18.896 -12.503 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.572 -11.819 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.287 -13.204 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 81 20.545 -12.298 1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.877 -10.945 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.045 -11.528 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 81 20.476 -10.583 3.541 1.00 0.00 H new ATOM 0 HE ARG A 81 17.693 -9.733 3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 81 21.010 -9.241 2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.719 -7.569 1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.328 -7.587 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.644 -6.637 1.939 1.00 0.00 H new ATOM 1351 N LYS A 82 20.143 -14.702 -0.840 1.00 0.00 N ATOM 1352 CA LYS A 82 21.114 -15.789 -0.878 1.00 0.00 C ATOM 1353 C LYS A 82 22.521 -15.254 -1.122 1.00 0.00 C ATOM 1354 O LYS A 82 22.856 -14.848 -2.235 1.00 0.00 O ATOM 1355 CB LYS A 82 20.742 -16.794 -1.971 1.00 0.00 C ATOM 1356 CG LYS A 82 21.333 -18.176 -1.752 1.00 0.00 C ATOM 1357 CD LYS A 82 22.702 -18.306 -2.397 1.00 0.00 C ATOM 1358 CE LYS A 82 23.346 -19.645 -2.074 1.00 0.00 C ATOM 1359 NZ LYS A 82 24.811 -19.636 -2.342 1.00 0.00 N ATOM 0 H LYS A 82 19.985 -14.247 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 82 21.098 -16.291 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.656 -16.876 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.079 -16.412 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.413 -18.373 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.662 -18.929 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.608 -18.198 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 82 23.347 -17.498 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.170 -19.889 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.873 -20.428 -2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.212 -20.567 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.979 -19.428 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 25.266 -18.907 -1.757 1.00 0.00 H new ATOM 1373 N GLU A 83 23.341 -15.257 -0.075 1.00 0.00 N ATOM 1374 CA GLU A 83 24.712 -14.772 -0.178 1.00 0.00 C ATOM 1375 C GLU A 83 25.629 -15.525 0.781 1.00 0.00 C ATOM 1376 O GLU A 83 25.206 -15.952 1.854 1.00 0.00 O ATOM 1377 CB GLU A 83 24.769 -13.271 0.117 1.00 0.00 C ATOM 1378 CG GLU A 83 26.086 -12.623 -0.278 1.00 0.00 C ATOM 1379 CD GLU A 83 26.226 -12.453 -1.778 1.00 0.00 C ATOM 1380 OE1 GLU A 83 26.730 -13.386 -2.437 1.00 0.00 O ATOM 1381 OE2 GLU A 83 25.830 -11.386 -2.293 1.00 0.00 O ATOM 0 H GLU A 83 23.080 -15.590 0.853 1.00 0.00 H new ATOM 0 HA GLU A 83 25.057 -14.948 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.956 -12.774 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.600 -13.112 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.166 -11.648 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 83 26.911 -13.230 0.094 1.00 0.00 H new ATOM 1388 N GLY A 84 26.888 -15.684 0.385 1.00 0.00 N ATOM 1389 CA GLY A 84 27.845 -16.386 1.219 1.00 0.00 C ATOM 1390 C GLY A 84 28.795 -15.443 1.931 1.00 0.00 C ATOM 1391 O GLY A 84 29.981 -15.382 1.606 1.00 0.00 O ATOM 0 H GLY A 84 27.262 -15.339 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 84 27.310 -16.983 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 84 28.419 -17.079 0.604 1.00 0.00 H new ATOM 1395 N LEU A 85 28.274 -14.705 2.905 1.00 0.00 N ATOM 1396 CA LEU A 85 29.083 -13.759 3.665 1.00 0.00 C ATOM 1397 C LEU A 85 29.973 -12.937 2.738 1.00 0.00 C ATOM 1398 O LEU A 85 31.147 -12.708 3.029 1.00 0.00 O ATOM 1399 CB LEU A 85 29.942 -14.500 4.690 1.00 0.00 C ATOM 1400 CG LEU A 85 30.645 -13.630 5.733 1.00 0.00 C ATOM 1401 CD1 LEU A 85 29.642 -13.090 6.741 1.00 0.00 C ATOM 1402 CD2 LEU A 85 31.740 -14.418 6.436 1.00 0.00 C ATOM 0 H LEU A 85 27.295 -14.744 3.187 1.00 0.00 H new ATOM 0 HA LEU A 85 28.409 -13.081 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.310 -15.218 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.699 -15.072 4.154 1.00 0.00 H new ATOM 0 HG LEU A 85 31.106 -12.785 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.160 -12.473 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 85 28.895 -12.488 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 85 29.151 -13.921 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.229 -13.782 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.303 -15.283 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.474 -14.754 5.704 1.00 0.00 H new ATOM 1414 N LYS A 86 29.406 -12.494 1.621 1.00 0.00 N ATOM 1415 CA LYS A 86 30.146 -11.694 0.652 1.00 0.00 C ATOM 1416 C LYS A 86 30.716 -10.439 1.305 1.00 0.00 C ATOM 1417 O LYS A 86 31.927 -10.319 1.490 1.00 0.00 O ATOM 1418 CB LYS A 86 29.240 -11.307 -0.519 1.00 0.00 C ATOM 1419 CG LYS A 86 29.990 -11.082 -1.820 1.00 0.00 C ATOM 1420 CD LYS A 86 30.713 -9.745 -1.823 1.00 0.00 C ATOM 1421 CE LYS A 86 29.775 -8.605 -2.192 1.00 0.00 C ATOM 1422 NZ LYS A 86 29.496 -8.567 -3.654 1.00 0.00 N ATOM 0 H LYS A 86 28.436 -12.676 1.364 1.00 0.00 H new ATOM 0 HA LYS A 86 30.974 -12.296 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 86 28.498 -12.092 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 86 28.696 -10.398 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 86 30.710 -11.886 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 86 29.291 -11.121 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 86 31.142 -9.560 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 86 31.541 -9.780 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 86 28.838 -8.715 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 86 30.215 -7.657 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 28.952 -7.710 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 30.394 -8.556 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 28.947 -9.408 -3.925 1.00 0.00 H new ATOM 1436 N ASP A 87 29.836 -9.506 1.652 1.00 0.00 N ATOM 1437 CA ASP A 87 30.251 -8.261 2.287 1.00 0.00 C ATOM 1438 C ASP A 87 31.439 -8.494 3.215 1.00 0.00 C ATOM 1439 O ASP A 87 31.318 -9.171 4.235 1.00 0.00 O ATOM 1440 CB ASP A 87 29.088 -7.650 3.070 1.00 0.00 C ATOM 1441 CG ASP A 87 27.881 -7.377 2.194 1.00 0.00 C ATOM 1442 OD1 ASP A 87 28.073 -6.986 1.024 1.00 0.00 O ATOM 1443 OD2 ASP A 87 26.744 -7.554 2.680 1.00 0.00 O ATOM 0 H ASP A 87 28.830 -9.589 1.504 1.00 0.00 H new ATOM 0 HA ASP A 87 30.556 -7.567 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 87 28.803 -8.325 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 87 29.415 -6.719 3.534 1.00 0.00 H new ATOM 1448 N GLU A 88 32.587 -7.929 2.853 1.00 0.00 N ATOM 1449 CA GLU A 88 33.797 -8.078 3.653 1.00 0.00 C ATOM 1450 C GLU A 88 34.110 -6.791 4.411 1.00 0.00 C ATOM 1451 O GLU A 88 34.045 -5.698 3.849 1.00 0.00 O ATOM 1452 CB GLU A 88 34.981 -8.459 2.762 1.00 0.00 C ATOM 1453 CG GLU A 88 35.373 -7.373 1.774 1.00 0.00 C ATOM 1454 CD GLU A 88 36.297 -7.882 0.685 1.00 0.00 C ATOM 1455 OE1 GLU A 88 36.092 -9.020 0.215 1.00 0.00 O ATOM 1456 OE2 GLU A 88 37.226 -7.140 0.302 1.00 0.00 O ATOM 0 H GLU A 88 32.704 -7.364 2.012 1.00 0.00 H new ATOM 0 HA GLU A 88 33.627 -8.874 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 88 35.839 -8.692 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 88 34.734 -9.367 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 88 34.473 -6.960 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 88 35.862 -6.559 2.309 1.00 0.00 H new TER 1463 GLU A 88