USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl -160:sc= -8.77! (180deg=-10.9!) USER MOD Set 1.2: A 57 TYR OH : rot -14:sc= -1.1 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -0.319 X(o=-0.26,f=-0.11) USER MOD Set 2.2: A 73 THR OG1 : rot 149:sc= 0.0571 USER MOD Set 3.1: A 21 SER OG : rot -121:sc= 0.158 USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0898 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 1.07 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 127:sc= 0.586 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -22:sc= 0.222 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -157:sc= -0.0325 (180deg=-0.56) USER MOD Single : A 54 MET CE :methyl 177:sc= -12.5! (180deg=-13.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 159:sc= -1.86! (180deg=-2.67!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -69:sc= 0.465 USER MOD Single : A 78 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-2.6!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 11:sc= 0.387 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.937 15.050 11.871 1.00 0.00 N ATOM 2 CA GLY A 1 25.167 16.275 12.001 1.00 0.00 C ATOM 3 C GLY A 1 23.742 15.979 12.471 1.00 0.00 C ATOM 4 O GLY A 1 23.440 14.860 12.883 1.00 0.00 O ATOM 0 H1 GLY A 1 26.797 15.117 12.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.364 14.244 12.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.202 14.910 10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.656 16.943 12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.137 16.794 11.043 1.00 0.00 H new ATOM 8 N SER A 2 22.903 17.002 12.395 1.00 0.00 N ATOM 9 CA SER A 2 21.517 16.866 12.808 1.00 0.00 C ATOM 10 C SER A 2 20.765 15.965 11.827 1.00 0.00 C ATOM 11 O SER A 2 21.234 15.722 10.716 1.00 0.00 O ATOM 12 CB SER A 2 20.834 18.232 12.904 1.00 0.00 C ATOM 13 OG SER A 2 21.244 18.953 14.063 1.00 0.00 O ATOM 0 H SER A 2 23.157 17.929 12.053 1.00 0.00 H new ATOM 0 HA SER A 2 21.498 16.410 13.798 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.065 18.816 12.013 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.753 18.096 12.925 1.00 0.00 H new ATOM 0 HG SER A 2 20.788 19.820 14.087 1.00 0.00 H new ATOM 19 N SER A 3 19.610 15.493 12.273 1.00 0.00 N ATOM 20 CA SER A 3 18.788 14.623 11.449 1.00 0.00 C ATOM 21 C SER A 3 17.334 15.097 11.476 1.00 0.00 C ATOM 22 O SER A 3 16.659 14.982 12.498 1.00 0.00 O ATOM 23 CB SER A 3 18.882 13.170 11.918 1.00 0.00 C ATOM 24 OG SER A 3 18.266 12.978 13.188 1.00 0.00 O ATOM 0 H SER A 3 19.224 15.697 13.195 1.00 0.00 H new ATOM 0 HA SER A 3 19.160 14.670 10.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.407 12.520 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.930 12.874 11.975 1.00 0.00 H new ATOM 0 HG SER A 3 17.527 13.613 13.293 1.00 0.00 H new ATOM 30 N GLY A 4 16.894 15.620 10.341 1.00 0.00 N ATOM 31 CA GLY A 4 15.532 16.112 10.222 1.00 0.00 C ATOM 32 C GLY A 4 15.207 16.483 8.774 1.00 0.00 C ATOM 33 O GLY A 4 15.005 17.655 8.459 1.00 0.00 O ATOM 0 H GLY A 4 17.457 15.714 9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.835 15.350 10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.399 16.984 10.863 1.00 0.00 H new ATOM 37 N SER A 5 15.167 15.462 7.930 1.00 0.00 N ATOM 38 CA SER A 5 14.870 15.666 6.523 1.00 0.00 C ATOM 39 C SER A 5 13.785 14.687 6.069 1.00 0.00 C ATOM 40 O SER A 5 12.724 15.102 5.606 1.00 0.00 O ATOM 41 CB SER A 5 16.127 15.499 5.665 1.00 0.00 C ATOM 42 OG SER A 5 16.043 16.235 4.447 1.00 0.00 O ATOM 0 H SER A 5 15.335 14.491 8.194 1.00 0.00 H new ATOM 0 HA SER A 5 14.507 16.686 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.998 15.831 6.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.275 14.443 5.441 1.00 0.00 H new ATOM 0 HG SER A 5 16.864 16.104 3.928 1.00 0.00 H new ATOM 48 N SER A 6 14.089 13.406 6.219 1.00 0.00 N ATOM 49 CA SER A 6 13.153 12.365 5.830 1.00 0.00 C ATOM 50 C SER A 6 11.810 12.581 6.531 1.00 0.00 C ATOM 51 O SER A 6 11.754 12.689 7.755 1.00 0.00 O ATOM 52 CB SER A 6 13.705 10.977 6.159 1.00 0.00 C ATOM 53 OG SER A 6 14.246 10.331 5.010 1.00 0.00 O ATOM 0 H SER A 6 14.970 13.066 6.604 1.00 0.00 H new ATOM 0 HA SER A 6 13.007 12.422 4.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.478 11.066 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.910 10.361 6.580 1.00 0.00 H new ATOM 0 HG SER A 6 14.590 9.449 5.262 1.00 0.00 H new ATOM 59 N GLY A 7 10.760 12.638 5.725 1.00 0.00 N ATOM 60 CA GLY A 7 9.421 12.839 6.252 1.00 0.00 C ATOM 61 C GLY A 7 8.450 13.244 5.141 1.00 0.00 C ATOM 62 O GLY A 7 7.843 12.388 4.499 1.00 0.00 O ATOM 0 H GLY A 7 10.810 12.548 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.072 11.923 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.441 13.611 7.022 1.00 0.00 H new ATOM 66 N GLY A 8 8.332 14.550 4.949 1.00 0.00 N ATOM 67 CA GLY A 8 7.445 15.079 3.927 1.00 0.00 C ATOM 68 C GLY A 8 5.989 14.717 4.225 1.00 0.00 C ATOM 69 O GLY A 8 5.703 13.622 4.707 1.00 0.00 O ATOM 0 H GLY A 8 8.836 15.257 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.551 16.163 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.730 14.683 2.952 1.00 0.00 H new ATOM 73 N PRO A 9 5.082 15.683 3.918 1.00 0.00 N ATOM 74 CA PRO A 9 3.662 15.477 4.147 1.00 0.00 C ATOM 75 C PRO A 9 3.067 14.536 3.097 1.00 0.00 C ATOM 76 O PRO A 9 3.700 14.258 2.079 1.00 0.00 O ATOM 77 CB PRO A 9 3.052 16.868 4.112 1.00 0.00 C ATOM 78 CG PRO A 9 4.068 17.751 3.406 1.00 0.00 C ATOM 79 CD PRO A 9 5.383 16.992 3.346 1.00 0.00 C ATOM 0 HA PRO A 9 3.456 14.990 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.101 16.864 3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.852 17.232 5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.725 18.000 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.194 18.692 3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.742 16.903 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.161 17.503 3.913 1.00 0.00 H new ATOM 87 N PRO A 10 1.827 14.061 3.388 1.00 0.00 N ATOM 88 CA PRO A 10 1.140 13.158 2.480 1.00 0.00 C ATOM 89 C PRO A 10 0.604 13.909 1.260 1.00 0.00 C ATOM 90 O PRO A 10 -0.102 14.906 1.402 1.00 0.00 O ATOM 91 CB PRO A 10 0.042 12.521 3.315 1.00 0.00 C ATOM 92 CG PRO A 10 -0.142 13.426 4.522 1.00 0.00 C ATOM 93 CD PRO A 10 1.048 14.369 4.583 1.00 0.00 C ATOM 0 HA PRO A 10 1.800 12.396 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.883 12.437 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.320 11.513 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.071 13.989 4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.208 12.835 5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.728 15.411 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.633 14.210 5.489 1.00 0.00 H new ATOM 101 N THR A 11 0.960 13.402 0.089 1.00 0.00 N ATOM 102 CA THR A 11 0.523 14.013 -1.155 1.00 0.00 C ATOM 103 C THR A 11 -0.585 13.178 -1.799 1.00 0.00 C ATOM 104 O THR A 11 -0.566 11.950 -1.723 1.00 0.00 O ATOM 105 CB THR A 11 1.750 14.189 -2.052 1.00 0.00 C ATOM 106 OG1 THR A 11 2.337 15.407 -1.601 1.00 0.00 O ATOM 107 CG2 THR A 11 1.376 14.472 -3.508 1.00 0.00 C ATOM 0 H THR A 11 1.546 12.575 -0.025 1.00 0.00 H new ATOM 0 HA THR A 11 0.086 14.996 -0.980 1.00 0.00 H new ATOM 0 HB THR A 11 2.366 13.291 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.141 15.597 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.283 14.588 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.790 13.641 -3.901 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.788 15.388 -3.561 1.00 0.00 H new ATOM 115 N ARG A 12 -1.524 13.877 -2.420 1.00 0.00 N ATOM 116 CA ARG A 12 -2.639 13.215 -3.077 1.00 0.00 C ATOM 117 C ARG A 12 -2.704 13.623 -4.550 1.00 0.00 C ATOM 118 O ARG A 12 -3.418 14.560 -4.907 1.00 0.00 O ATOM 119 CB ARG A 12 -3.965 13.564 -2.398 1.00 0.00 C ATOM 120 CG ARG A 12 -3.948 13.161 -0.922 1.00 0.00 C ATOM 121 CD ARG A 12 -5.278 12.524 -0.513 1.00 0.00 C ATOM 122 NE ARG A 12 -6.221 13.570 -0.058 1.00 0.00 N ATOM 123 CZ ARG A 12 -7.457 13.321 0.394 1.00 0.00 C ATOM 124 NH1 ARG A 12 -7.908 12.061 0.455 1.00 0.00 N ATOM 125 NH2 ARG A 12 -8.244 14.333 0.785 1.00 0.00 N ATOM 0 H ARG A 12 -1.536 14.895 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.478 12.140 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.151 14.635 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.784 13.056 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.134 12.459 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.755 14.038 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.704 11.980 -1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.114 11.799 0.284 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.910 14.541 -0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.310 11.290 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.849 11.872 0.799 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.902 15.293 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.185 14.143 1.129 1.00 0.00 H new ATOM 139 N ARG A 13 -1.951 12.900 -5.365 1.00 0.00 N ATOM 140 CA ARG A 13 -1.915 13.175 -6.792 1.00 0.00 C ATOM 141 C ARG A 13 -3.306 12.992 -7.403 1.00 0.00 C ATOM 142 O ARG A 13 -3.578 13.489 -8.495 1.00 0.00 O ATOM 143 CB ARG A 13 -0.926 12.252 -7.506 1.00 0.00 C ATOM 144 CG ARG A 13 0.475 12.380 -6.905 1.00 0.00 C ATOM 145 CD ARG A 13 1.382 11.242 -7.379 1.00 0.00 C ATOM 146 NE ARG A 13 2.332 11.743 -8.397 1.00 0.00 N ATOM 147 CZ ARG A 13 3.405 12.495 -8.117 1.00 0.00 C ATOM 148 NH1 ARG A 13 3.671 12.837 -6.849 1.00 0.00 N ATOM 149 NH2 ARG A 13 4.213 12.905 -9.105 1.00 0.00 N ATOM 0 H ARG A 13 -1.361 12.124 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.590 14.207 -6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.266 11.219 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.894 12.498 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.910 13.338 -7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.410 12.369 -5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.929 10.825 -6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.779 10.436 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 13 2.159 11.501 -9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.057 12.525 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.488 13.409 -6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.011 12.645 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.030 13.477 -8.891 1.00 0.00 H new ATOM 163 N SER A 14 -4.148 12.276 -6.673 1.00 0.00 N ATOM 164 CA SER A 14 -5.504 12.021 -7.130 1.00 0.00 C ATOM 165 C SER A 14 -6.506 12.437 -6.051 1.00 0.00 C ATOM 166 O SER A 14 -6.862 13.609 -5.948 1.00 0.00 O ATOM 167 CB SER A 14 -5.695 10.547 -7.492 1.00 0.00 C ATOM 168 OG SER A 14 -5.192 10.247 -8.791 1.00 0.00 O ATOM 0 H SER A 14 -3.918 11.864 -5.769 1.00 0.00 H new ATOM 0 HA SER A 14 -5.680 12.613 -8.028 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.189 9.924 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.755 10.297 -7.447 1.00 0.00 H new ATOM 0 HG SER A 14 -5.471 9.344 -9.049 1.00 0.00 H new ATOM 174 N ASP A 15 -6.934 11.452 -5.275 1.00 0.00 N ATOM 175 CA ASP A 15 -7.889 11.700 -4.208 1.00 0.00 C ATOM 176 C ASP A 15 -8.237 10.377 -3.522 1.00 0.00 C ATOM 177 O ASP A 15 -8.190 10.278 -2.297 1.00 0.00 O ATOM 178 CB ASP A 15 -9.183 12.304 -4.757 1.00 0.00 C ATOM 179 CG ASP A 15 -10.198 12.731 -3.695 1.00 0.00 C ATOM 180 OD1 ASP A 15 -10.222 12.070 -2.634 1.00 0.00 O ATOM 181 OD2 ASP A 15 -10.928 13.708 -3.968 1.00 0.00 O ATOM 0 H ASP A 15 -6.637 10.480 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.435 12.398 -3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.931 13.171 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.655 11.576 -5.417 1.00 0.00 H new ATOM 186 N PHE A 16 -8.579 9.395 -4.343 1.00 0.00 N ATOM 187 CA PHE A 16 -8.935 8.082 -3.831 1.00 0.00 C ATOM 188 C PHE A 16 -7.685 7.247 -3.546 1.00 0.00 C ATOM 189 O PHE A 16 -6.991 6.827 -4.471 1.00 0.00 O ATOM 190 CB PHE A 16 -9.761 7.388 -4.916 1.00 0.00 C ATOM 191 CG PHE A 16 -10.767 8.306 -5.614 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.853 8.766 -4.936 1.00 0.00 C ATOM 193 CD2 PHE A 16 -10.576 8.661 -6.913 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.786 9.617 -5.585 1.00 0.00 C ATOM 195 CE2 PHE A 16 -11.509 9.513 -7.561 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.595 9.972 -6.883 1.00 0.00 C ATOM 0 H PHE A 16 -8.617 9.482 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.491 8.184 -2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.085 6.972 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.297 6.550 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.005 8.484 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.715 8.295 -7.452 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.648 9.983 -5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.356 9.796 -8.592 1.00 0.00 H new ATOM 0 HZ PHE A 16 -13.306 10.619 -7.376 1.00 0.00 H new ATOM 206 N ARG A 17 -7.436 7.032 -2.263 1.00 0.00 N ATOM 207 CA ARG A 17 -6.282 6.255 -1.845 1.00 0.00 C ATOM 208 C ARG A 17 -6.674 5.279 -0.733 1.00 0.00 C ATOM 209 O ARG A 17 -7.818 5.272 -0.283 1.00 0.00 O ATOM 210 CB ARG A 17 -5.158 7.164 -1.343 1.00 0.00 C ATOM 211 CG ARG A 17 -5.540 7.827 -0.018 1.00 0.00 C ATOM 212 CD ARG A 17 -4.383 7.763 0.981 1.00 0.00 C ATOM 213 NE ARG A 17 -3.460 8.899 0.761 1.00 0.00 N ATOM 214 CZ ARG A 17 -3.617 10.111 1.308 1.00 0.00 C ATOM 215 NH1 ARG A 17 -4.662 10.354 2.112 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.729 11.082 1.052 1.00 0.00 N ATOM 0 H ARG A 17 -8.014 7.382 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.925 5.699 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.246 6.582 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.944 7.930 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.816 8.867 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.415 7.331 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.770 7.790 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.846 6.821 0.869 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.654 8.749 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.338 9.615 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.781 11.277 2.528 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.934 10.898 0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.849 12.005 1.469 1.00 0.00 H new ATOM 230 N VAL A 18 -5.701 4.477 -0.323 1.00 0.00 N ATOM 231 CA VAL A 18 -5.930 3.499 0.727 1.00 0.00 C ATOM 232 C VAL A 18 -4.767 3.542 1.719 1.00 0.00 C ATOM 233 O VAL A 18 -3.610 3.378 1.333 1.00 0.00 O ATOM 234 CB VAL A 18 -6.143 2.114 0.114 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.395 2.089 -0.766 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.910 1.668 -0.675 1.00 0.00 C ATOM 0 H VAL A 18 -4.753 4.485 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.838 3.737 1.281 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.293 1.407 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.522 1.093 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.268 2.342 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.288 2.815 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.088 0.680 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.715 2.379 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.048 1.627 -0.010 1.00 0.00 H new ATOM 246 N LEU A 19 -5.114 3.762 2.979 1.00 0.00 N ATOM 247 CA LEU A 19 -4.113 3.828 4.030 1.00 0.00 C ATOM 248 C LEU A 19 -3.825 2.416 4.544 1.00 0.00 C ATOM 249 O LEU A 19 -4.726 1.730 5.024 1.00 0.00 O ATOM 250 CB LEU A 19 -4.549 4.804 5.125 1.00 0.00 C ATOM 251 CG LEU A 19 -4.606 6.279 4.725 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.612 7.182 5.960 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.468 6.631 3.764 1.00 0.00 C ATOM 0 H LEU A 19 -6.074 3.897 3.295 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.175 4.222 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.536 4.505 5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.865 4.703 5.968 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.542 6.453 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.653 8.225 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.483 6.953 6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.705 7.012 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.532 7.685 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.510 6.437 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.550 6.022 2.864 1.00 0.00 H new ATOM 265 N VAL A 20 -2.565 2.023 4.425 1.00 0.00 N ATOM 266 CA VAL A 20 -2.147 0.705 4.872 1.00 0.00 C ATOM 267 C VAL A 20 -1.309 0.844 6.144 1.00 0.00 C ATOM 268 O VAL A 20 -0.473 1.740 6.246 1.00 0.00 O ATOM 269 CB VAL A 20 -1.407 -0.019 3.745 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.846 -1.357 4.229 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.316 -0.213 2.529 1.00 0.00 C ATOM 0 H VAL A 20 -1.820 2.594 4.026 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.014 0.093 5.120 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.567 0.605 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.325 -1.851 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.150 -1.184 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.663 -1.991 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.766 -0.730 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.184 -0.807 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.646 0.759 2.163 1.00 0.00 H new ATOM 281 N SER A 21 -1.562 -0.056 7.082 1.00 0.00 N ATOM 282 CA SER A 21 -0.842 -0.045 8.344 1.00 0.00 C ATOM 283 C SER A 21 -0.697 -1.473 8.876 1.00 0.00 C ATOM 284 O SER A 21 -1.680 -2.205 8.974 1.00 0.00 O ATOM 285 CB SER A 21 -1.549 0.836 9.375 1.00 0.00 C ATOM 286 OG SER A 21 -2.788 0.274 9.798 1.00 0.00 O ATOM 0 H SER A 21 -2.256 -0.798 6.994 1.00 0.00 H new ATOM 0 HA SER A 21 0.149 0.373 8.168 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.900 0.974 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.726 1.823 8.948 1.00 0.00 H new ATOM 0 HG SER A 21 -3.515 0.902 9.604 1.00 0.00 H new ATOM 292 N GLY A 22 0.538 -1.824 9.206 1.00 0.00 N ATOM 293 CA GLY A 22 0.824 -3.151 9.726 1.00 0.00 C ATOM 294 C GLY A 22 1.949 -3.819 8.934 1.00 0.00 C ATOM 295 O GLY A 22 2.320 -4.958 9.215 1.00 0.00 O ATOM 0 H GLY A 22 1.351 -1.213 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.106 -3.081 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.075 -3.766 9.678 1.00 0.00 H new ATOM 299 N LEU A 23 2.462 -3.082 7.959 1.00 0.00 N ATOM 300 CA LEU A 23 3.538 -3.589 7.124 1.00 0.00 C ATOM 301 C LEU A 23 4.542 -4.344 7.997 1.00 0.00 C ATOM 302 O LEU A 23 4.657 -4.075 9.192 1.00 0.00 O ATOM 303 CB LEU A 23 4.162 -2.456 6.308 1.00 0.00 C ATOM 304 CG LEU A 23 3.339 -1.952 5.120 1.00 0.00 C ATOM 305 CD1 LEU A 23 3.078 -3.078 4.118 1.00 0.00 C ATOM 306 CD2 LEU A 23 2.042 -1.293 5.593 1.00 0.00 C ATOM 0 H LEU A 23 2.152 -2.138 7.729 1.00 0.00 H new ATOM 0 HA LEU A 23 3.151 -4.300 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.351 -1.616 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.130 -2.793 5.937 1.00 0.00 H new ATOM 0 HG LEU A 23 3.918 -1.188 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.491 -2.694 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.028 -3.462 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.528 -3.881 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.476 -0.943 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.447 -2.018 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.278 -0.447 6.239 1.00 0.00 H new ATOM 318 N PRO A 24 5.262 -5.299 7.350 1.00 0.00 N ATOM 319 CA PRO A 24 6.254 -6.094 8.054 1.00 0.00 C ATOM 320 C PRO A 24 7.518 -5.278 8.328 1.00 0.00 C ATOM 321 O PRO A 24 7.633 -4.137 7.884 1.00 0.00 O ATOM 322 CB PRO A 24 6.505 -7.294 7.155 1.00 0.00 C ATOM 323 CG PRO A 24 5.999 -6.897 5.778 1.00 0.00 C ATOM 324 CD PRO A 24 5.153 -5.645 5.936 1.00 0.00 C ATOM 0 HA PRO A 24 5.915 -6.414 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.566 -7.544 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.981 -8.175 7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.835 -6.711 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.410 -7.703 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.519 -4.838 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.117 -5.829 5.652 1.00 0.00 H new ATOM 332 N PRO A 25 8.459 -5.910 9.079 1.00 0.00 N ATOM 333 CA PRO A 25 9.711 -5.255 9.418 1.00 0.00 C ATOM 334 C PRO A 25 10.652 -5.212 8.213 1.00 0.00 C ATOM 335 O PRO A 25 11.589 -4.416 8.180 1.00 0.00 O ATOM 336 CB PRO A 25 10.272 -6.056 10.582 1.00 0.00 C ATOM 337 CG PRO A 25 9.555 -7.396 10.549 1.00 0.00 C ATOM 338 CD PRO A 25 8.357 -7.261 9.623 1.00 0.00 C ATOM 0 HA PRO A 25 9.576 -4.211 9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.350 -6.187 10.483 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.099 -5.544 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.225 -8.179 10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.233 -7.681 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.382 -8.010 8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.421 -7.400 10.164 1.00 0.00 H new ATOM 346 N SER A 26 10.369 -6.079 7.251 1.00 0.00 N ATOM 347 CA SER A 26 11.178 -6.150 6.046 1.00 0.00 C ATOM 348 C SER A 26 10.310 -5.878 4.816 1.00 0.00 C ATOM 349 O SER A 26 10.741 -6.105 3.686 1.00 0.00 O ATOM 350 CB SER A 26 11.863 -7.513 5.923 1.00 0.00 C ATOM 351 OG SER A 26 12.704 -7.791 7.039 1.00 0.00 O ATOM 0 H SER A 26 9.591 -6.738 7.282 1.00 0.00 H new ATOM 0 HA SER A 26 11.955 -5.388 6.109 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.106 -8.293 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.454 -7.540 5.008 1.00 0.00 H new ATOM 0 HG SER A 26 12.460 -8.658 7.425 1.00 0.00 H new ATOM 357 N GLY A 27 9.104 -5.396 5.077 1.00 0.00 N ATOM 358 CA GLY A 27 8.172 -5.091 4.005 1.00 0.00 C ATOM 359 C GLY A 27 8.776 -4.085 3.023 1.00 0.00 C ATOM 360 O GLY A 27 9.755 -3.412 3.342 1.00 0.00 O ATOM 0 H GLY A 27 8.751 -5.209 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.908 -6.007 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.250 -4.687 4.424 1.00 0.00 H new ATOM 364 N SER A 28 8.166 -4.013 1.849 1.00 0.00 N ATOM 365 CA SER A 28 8.631 -3.100 0.819 1.00 0.00 C ATOM 366 C SER A 28 7.437 -2.518 0.058 1.00 0.00 C ATOM 367 O SER A 28 6.408 -3.175 -0.085 1.00 0.00 O ATOM 368 CB SER A 28 9.586 -3.801 -0.148 1.00 0.00 C ATOM 369 OG SER A 28 10.635 -4.481 0.536 1.00 0.00 O ATOM 0 H SER A 28 7.354 -4.572 1.588 1.00 0.00 H new ATOM 0 HA SER A 28 9.177 -2.289 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.028 -4.513 -0.756 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.014 -3.067 -0.830 1.00 0.00 H new ATOM 0 HG SER A 28 11.222 -4.917 -0.116 1.00 0.00 H new ATOM 375 N TRP A 29 7.616 -1.291 -0.409 1.00 0.00 N ATOM 376 CA TRP A 29 6.567 -0.613 -1.152 1.00 0.00 C ATOM 377 C TRP A 29 6.345 -1.376 -2.459 1.00 0.00 C ATOM 378 O TRP A 29 5.207 -1.560 -2.889 1.00 0.00 O ATOM 379 CB TRP A 29 6.914 0.861 -1.371 1.00 0.00 C ATOM 380 CG TRP A 29 8.273 1.087 -2.036 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.423 1.463 -1.459 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.579 0.937 -3.439 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.443 1.565 -2.382 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.914 1.235 -3.624 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.756 0.561 -4.514 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.543 1.188 -4.874 1.00 0.00 C ATOM 387 CZ3 TRP A 29 8.400 0.519 -5.757 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.742 0.816 -5.961 1.00 0.00 C ATOM 0 H TRP A 29 8.471 -0.749 -0.287 1.00 0.00 H new ATOM 0 HA TRP A 29 5.635 -0.611 -0.588 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.139 1.319 -1.986 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.902 1.374 -0.409 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.537 1.661 -0.403 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.408 1.833 -2.189 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.710 0.323 -4.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.590 1.426 -4.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.812 0.236 -6.618 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.165 0.760 -6.953 1.00 0.00 H new ATOM 399 N GLN A 30 7.450 -1.798 -3.056 1.00 0.00 N ATOM 400 CA GLN A 30 7.390 -2.536 -4.306 1.00 0.00 C ATOM 401 C GLN A 30 6.390 -3.689 -4.194 1.00 0.00 C ATOM 402 O GLN A 30 5.337 -3.666 -4.829 1.00 0.00 O ATOM 403 CB GLN A 30 8.775 -3.048 -4.707 1.00 0.00 C ATOM 404 CG GLN A 30 9.086 -2.704 -6.165 1.00 0.00 C ATOM 405 CD GLN A 30 10.364 -3.403 -6.633 1.00 0.00 C ATOM 406 OE1 GLN A 30 11.290 -3.634 -5.873 1.00 0.00 O ATOM 407 NE2 GLN A 30 10.362 -3.726 -7.923 1.00 0.00 N ATOM 0 H GLN A 30 8.392 -1.643 -2.697 1.00 0.00 H new ATOM 0 HA GLN A 30 7.048 -1.859 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.531 -2.609 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.822 -4.128 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.251 -3.003 -6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.197 -1.625 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.553 -3.503 -8.503 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.169 -4.196 -8.332 1.00 0.00 H new ATOM 416 N ASP A 31 6.756 -4.671 -3.383 1.00 0.00 N ATOM 417 CA ASP A 31 5.904 -5.830 -3.180 1.00 0.00 C ATOM 418 C ASP A 31 4.520 -5.367 -2.720 1.00 0.00 C ATOM 419 O ASP A 31 3.504 -5.864 -3.202 1.00 0.00 O ATOM 420 CB ASP A 31 6.477 -6.752 -2.102 1.00 0.00 C ATOM 421 CG ASP A 31 6.551 -8.231 -2.488 1.00 0.00 C ATOM 422 OD1 ASP A 31 5.850 -8.601 -3.455 1.00 0.00 O ATOM 423 OD2 ASP A 31 7.307 -8.958 -1.808 1.00 0.00 O ATOM 0 H ASP A 31 7.631 -4.688 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 31 5.842 -6.373 -4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.479 -6.408 -1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.868 -6.657 -1.203 1.00 0.00 H new ATOM 428 N LEU A 32 4.526 -4.421 -1.792 1.00 0.00 N ATOM 429 CA LEU A 32 3.284 -3.885 -1.262 1.00 0.00 C ATOM 430 C LEU A 32 2.374 -3.476 -2.422 1.00 0.00 C ATOM 431 O LEU A 32 1.200 -3.842 -2.453 1.00 0.00 O ATOM 432 CB LEU A 32 3.568 -2.752 -0.274 1.00 0.00 C ATOM 433 CG LEU A 32 2.361 -1.912 0.148 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.711 -1.003 1.328 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.803 -1.122 -1.037 1.00 0.00 C ATOM 0 H LEU A 32 5.371 -4.012 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 32 2.752 -4.647 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.018 -3.181 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.311 -2.088 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 32 1.575 -2.588 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.836 -0.417 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.026 -1.612 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.521 -0.332 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.946 -0.533 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.574 -0.456 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.491 -1.813 -1.820 1.00 0.00 H new ATOM 447 N LYS A 33 2.950 -2.722 -3.346 1.00 0.00 N ATOM 448 CA LYS A 33 2.205 -2.258 -4.505 1.00 0.00 C ATOM 449 C LYS A 33 1.648 -3.465 -5.263 1.00 0.00 C ATOM 450 O LYS A 33 0.434 -3.601 -5.414 1.00 0.00 O ATOM 451 CB LYS A 33 3.072 -1.338 -5.366 1.00 0.00 C ATOM 452 CG LYS A 33 2.237 -0.655 -6.451 1.00 0.00 C ATOM 453 CD LYS A 33 3.129 -0.110 -7.568 1.00 0.00 C ATOM 454 CE LYS A 33 2.682 1.290 -7.993 1.00 0.00 C ATOM 455 NZ LYS A 33 3.849 2.106 -8.397 1.00 0.00 N ATOM 0 H LYS A 33 3.924 -2.420 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 33 1.352 -1.654 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.544 -0.584 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.873 -1.915 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.522 -1.366 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.660 0.159 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.164 -0.078 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.096 -0.782 -8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.977 1.217 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.158 1.776 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.528 3.053 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.508 2.190 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.332 1.649 -9.196 1.00 0.00 H new ATOM 469 N ASP A 34 2.560 -4.310 -5.719 1.00 0.00 N ATOM 470 CA ASP A 34 2.175 -5.501 -6.458 1.00 0.00 C ATOM 471 C ASP A 34 0.935 -6.119 -5.809 1.00 0.00 C ATOM 472 O ASP A 34 0.127 -6.754 -6.485 1.00 0.00 O ATOM 473 CB ASP A 34 3.291 -6.547 -6.437 1.00 0.00 C ATOM 474 CG ASP A 34 3.729 -7.052 -7.813 1.00 0.00 C ATOM 475 OD1 ASP A 34 2.832 -7.227 -8.665 1.00 0.00 O ATOM 476 OD2 ASP A 34 4.952 -7.252 -7.981 1.00 0.00 O ATOM 0 H ASP A 34 3.565 -4.194 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 34 1.975 -5.209 -7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.157 -6.122 -5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.959 -7.398 -5.843 1.00 0.00 H new ATOM 481 N HIS A 35 0.823 -5.912 -4.505 1.00 0.00 N ATOM 482 CA HIS A 35 -0.305 -6.441 -3.758 1.00 0.00 C ATOM 483 C HIS A 35 -1.503 -5.499 -3.900 1.00 0.00 C ATOM 484 O HIS A 35 -2.526 -5.873 -4.472 1.00 0.00 O ATOM 485 CB HIS A 35 0.080 -6.693 -2.298 1.00 0.00 C ATOM 486 CG HIS A 35 -0.988 -7.394 -1.494 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.789 -8.628 -0.899 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.265 -7.022 -1.191 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.903 -8.974 -0.270 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.816 -7.978 -0.453 1.00 0.00 N ATOM 0 H HIS A 35 1.495 -5.385 -3.947 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.596 -7.408 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.991 -7.290 -2.271 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.310 -5.739 -1.824 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.069 -9.178 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.746 -6.105 -1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.060 -9.885 0.289 1.00 0.00 H new ATOM 498 N MET A 36 -1.335 -4.296 -3.371 1.00 0.00 N ATOM 499 CA MET A 36 -2.389 -3.298 -3.433 1.00 0.00 C ATOM 500 C MET A 36 -2.980 -3.210 -4.842 1.00 0.00 C ATOM 501 O MET A 36 -4.190 -3.059 -5.003 1.00 0.00 O ATOM 502 CB MET A 36 -1.826 -1.934 -3.029 1.00 0.00 C ATOM 503 CG MET A 36 -1.498 -1.896 -1.535 1.00 0.00 C ATOM 504 SD MET A 36 -2.962 -2.256 -0.580 1.00 0.00 S ATOM 505 CE MET A 36 -4.200 -1.476 -1.604 1.00 0.00 C ATOM 0 H MET A 36 -0.485 -3.990 -2.898 1.00 0.00 H new ATOM 0 HA MET A 36 -3.182 -3.592 -2.745 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.927 -1.722 -3.608 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.549 -1.154 -3.266 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.717 -2.622 -1.307 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.109 -0.914 -1.264 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.096 -1.289 -1.013 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.814 -0.531 -1.986 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.447 -2.131 -2.439 1.00 0.00 H new ATOM 515 N ARG A 37 -2.098 -3.309 -5.826 1.00 0.00 N ATOM 516 CA ARG A 37 -2.517 -3.243 -7.215 1.00 0.00 C ATOM 517 C ARG A 37 -3.776 -4.085 -7.431 1.00 0.00 C ATOM 518 O ARG A 37 -4.546 -3.830 -8.356 1.00 0.00 O ATOM 519 CB ARG A 37 -1.412 -3.742 -8.148 1.00 0.00 C ATOM 520 CG ARG A 37 -0.103 -2.990 -7.900 1.00 0.00 C ATOM 521 CD ARG A 37 0.309 -2.185 -9.134 1.00 0.00 C ATOM 522 NE ARG A 37 0.522 -3.093 -10.283 1.00 0.00 N ATOM 523 CZ ARG A 37 0.778 -2.679 -11.531 1.00 0.00 C ATOM 524 NH1 ARG A 37 0.854 -1.368 -11.799 1.00 0.00 N ATOM 525 NH2 ARG A 37 0.957 -3.575 -12.511 1.00 0.00 N ATOM 0 H ARG A 37 -1.095 -3.434 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.730 -2.200 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.257 -4.810 -7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.720 -3.610 -9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.220 -2.321 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.685 -3.699 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.463 -1.454 -9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.222 -1.627 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 37 0.471 -4.098 -10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.717 -0.686 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.049 -1.052 -12.749 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.898 -4.573 -12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.152 -3.259 -13.461 1.00 0.00 H new ATOM 539 N GLU A 38 -3.947 -5.070 -6.562 1.00 0.00 N ATOM 540 CA GLU A 38 -5.099 -5.951 -6.646 1.00 0.00 C ATOM 541 C GLU A 38 -6.306 -5.194 -7.202 1.00 0.00 C ATOM 542 O GLU A 38 -7.062 -5.731 -8.010 1.00 0.00 O ATOM 543 CB GLU A 38 -5.419 -6.567 -5.282 1.00 0.00 C ATOM 544 CG GLU A 38 -5.007 -8.039 -5.235 1.00 0.00 C ATOM 545 CD GLU A 38 -3.491 -8.189 -5.372 1.00 0.00 C ATOM 546 OE1 GLU A 38 -3.013 -8.093 -6.523 1.00 0.00 O ATOM 547 OE2 GLU A 38 -2.844 -8.397 -4.323 1.00 0.00 O ATOM 0 H GLU A 38 -3.307 -5.278 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.860 -6.766 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.899 -6.015 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.486 -6.478 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.336 -8.483 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.504 -8.585 -6.037 1.00 0.00 H new ATOM 554 N ALA A 39 -6.450 -3.957 -6.747 1.00 0.00 N ATOM 555 CA ALA A 39 -7.553 -3.121 -7.190 1.00 0.00 C ATOM 556 C ALA A 39 -7.409 -2.844 -8.688 1.00 0.00 C ATOM 557 O ALA A 39 -8.087 -3.465 -9.505 1.00 0.00 O ATOM 558 CB ALA A 39 -7.584 -1.836 -6.360 1.00 0.00 C ATOM 0 H ALA A 39 -5.821 -3.514 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.505 -3.630 -7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.411 -1.208 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.718 -2.086 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.645 -1.297 -6.489 1.00 0.00 H new ATOM 564 N GLY A 40 -6.521 -1.912 -9.002 1.00 0.00 N ATOM 565 CA GLY A 40 -6.279 -1.546 -10.387 1.00 0.00 C ATOM 566 C GLY A 40 -4.830 -1.100 -10.591 1.00 0.00 C ATOM 567 O GLY A 40 -3.899 -1.834 -10.266 1.00 0.00 O ATOM 0 H GLY A 40 -5.961 -1.400 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.496 -2.395 -11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.955 -0.742 -10.678 1.00 0.00 H new ATOM 571 N ASP A 41 -4.685 0.103 -11.129 1.00 0.00 N ATOM 572 CA ASP A 41 -3.365 0.656 -11.380 1.00 0.00 C ATOM 573 C ASP A 41 -2.996 1.617 -10.248 1.00 0.00 C ATOM 574 O ASP A 41 -3.733 2.560 -9.965 1.00 0.00 O ATOM 575 CB ASP A 41 -3.338 1.440 -12.694 1.00 0.00 C ATOM 576 CG ASP A 41 -1.984 1.460 -13.406 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.002 1.020 -12.771 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.962 1.915 -14.570 1.00 0.00 O ATOM 0 H ASP A 41 -5.460 0.710 -11.398 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.658 -0.171 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.081 1.015 -13.369 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.641 2.467 -12.493 1.00 0.00 H new ATOM 583 N VAL A 42 -1.856 1.344 -9.632 1.00 0.00 N ATOM 584 CA VAL A 42 -1.380 2.172 -8.537 1.00 0.00 C ATOM 585 C VAL A 42 -0.457 3.260 -9.091 1.00 0.00 C ATOM 586 O VAL A 42 0.556 2.958 -9.721 1.00 0.00 O ATOM 587 CB VAL A 42 -0.706 1.300 -7.475 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.378 2.116 -6.223 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.576 0.090 -7.129 1.00 0.00 C ATOM 0 H VAL A 42 -1.248 0.561 -9.870 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.215 2.672 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 42 0.232 0.931 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.100 1.473 -5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.297 2.930 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.297 2.527 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.075 -0.514 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.537 0.431 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.737 -0.510 -8.024 1.00 0.00 H new ATOM 599 N CYS A 43 -0.839 4.502 -8.835 1.00 0.00 N ATOM 600 CA CYS A 43 -0.058 5.636 -9.300 1.00 0.00 C ATOM 601 C CYS A 43 0.986 5.970 -8.233 1.00 0.00 C ATOM 602 O CYS A 43 2.063 6.474 -8.549 1.00 0.00 O ATOM 603 CB CYS A 43 -0.946 6.839 -9.625 1.00 0.00 C ATOM 604 SG CYS A 43 0.086 8.253 -10.157 1.00 0.00 S ATOM 0 H CYS A 43 -1.679 4.748 -8.312 1.00 0.00 H new ATOM 0 HA CYS A 43 0.445 5.377 -10.231 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.653 6.577 -10.412 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.533 7.116 -8.749 1.00 0.00 H new ATOM 0 HG CYS A 43 1.298 8.096 -9.715 1.00 0.00 H new ATOM 610 N TYR A 44 0.632 5.675 -6.991 1.00 0.00 N ATOM 611 CA TYR A 44 1.526 5.937 -5.875 1.00 0.00 C ATOM 612 C TYR A 44 1.601 4.730 -4.938 1.00 0.00 C ATOM 613 O TYR A 44 0.577 4.145 -4.589 1.00 0.00 O ATOM 614 CB TYR A 44 0.919 7.119 -5.117 1.00 0.00 C ATOM 615 CG TYR A 44 1.818 7.678 -4.013 1.00 0.00 C ATOM 616 CD1 TYR A 44 2.028 6.949 -2.860 1.00 0.00 C ATOM 617 CD2 TYR A 44 2.417 8.911 -4.169 1.00 0.00 C ATOM 618 CE1 TYR A 44 2.875 7.475 -1.820 1.00 0.00 C ATOM 619 CE2 TYR A 44 3.263 9.437 -3.129 1.00 0.00 C ATOM 620 CZ TYR A 44 3.450 8.693 -2.006 1.00 0.00 C ATOM 621 OH TYR A 44 4.249 9.190 -1.024 1.00 0.00 O ATOM 0 H TYR A 44 -0.262 5.257 -6.732 1.00 0.00 H new ATOM 0 HA TYR A 44 2.535 6.143 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.694 7.915 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.028 6.807 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.558 5.985 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.251 9.482 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.049 6.915 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.738 10.401 -3.238 1.00 0.00 H new ATOM 0 HH TYR A 44 4.592 10.067 -1.294 1.00 0.00 H new ATOM 631 N ALA A 45 2.825 4.393 -4.556 1.00 0.00 N ATOM 632 CA ALA A 45 3.047 3.267 -3.666 1.00 0.00 C ATOM 633 C ALA A 45 4.330 3.501 -2.866 1.00 0.00 C ATOM 634 O ALA A 45 5.386 3.760 -3.441 1.00 0.00 O ATOM 635 CB ALA A 45 3.096 1.973 -4.481 1.00 0.00 C ATOM 0 H ALA A 45 3.672 4.880 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 45 2.227 3.173 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.263 1.128 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.151 1.838 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.909 2.029 -5.204 1.00 0.00 H new ATOM 641 N ASP A 46 4.197 3.400 -1.551 1.00 0.00 N ATOM 642 CA ASP A 46 5.332 3.597 -0.667 1.00 0.00 C ATOM 643 C ASP A 46 5.044 2.934 0.682 1.00 0.00 C ATOM 644 O ASP A 46 3.935 2.457 0.919 1.00 0.00 O ATOM 645 CB ASP A 46 5.584 5.085 -0.417 1.00 0.00 C ATOM 646 CG ASP A 46 7.048 5.518 -0.516 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.586 5.446 -1.642 1.00 0.00 O ATOM 648 OD2 ASP A 46 7.596 5.912 0.536 1.00 0.00 O ATOM 0 H ASP A 46 3.320 3.184 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 46 6.209 3.157 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.001 5.662 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.212 5.340 0.575 1.00 0.00 H new ATOM 653 N VAL A 47 6.062 2.924 1.530 1.00 0.00 N ATOM 654 CA VAL A 47 5.931 2.327 2.848 1.00 0.00 C ATOM 655 C VAL A 47 6.693 3.178 3.867 1.00 0.00 C ATOM 656 O VAL A 47 7.790 3.658 3.583 1.00 0.00 O ATOM 657 CB VAL A 47 6.403 0.872 2.813 1.00 0.00 C ATOM 658 CG1 VAL A 47 7.751 0.750 2.100 1.00 0.00 C ATOM 659 CG2 VAL A 47 6.474 0.284 4.224 1.00 0.00 C ATOM 0 H VAL A 47 6.981 3.320 1.330 1.00 0.00 H new ATOM 0 HA VAL A 47 4.886 2.308 3.156 1.00 0.00 H new ATOM 0 HB VAL A 47 5.671 0.296 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.064 -0.294 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.655 1.111 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.496 1.346 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.812 -0.751 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.174 0.864 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.486 0.320 4.683 1.00 0.00 H new ATOM 669 N GLN A 48 6.081 3.340 5.031 1.00 0.00 N ATOM 670 CA GLN A 48 6.688 4.124 6.092 1.00 0.00 C ATOM 671 C GLN A 48 7.229 3.205 7.189 1.00 0.00 C ATOM 672 O GLN A 48 6.852 2.037 7.266 1.00 0.00 O ATOM 673 CB GLN A 48 5.692 5.135 6.665 1.00 0.00 C ATOM 674 CG GLN A 48 5.676 6.420 5.834 1.00 0.00 C ATOM 675 CD GLN A 48 5.170 7.602 6.663 1.00 0.00 C ATOM 676 OE1 GLN A 48 4.003 7.697 7.009 1.00 0.00 O ATOM 677 NE2 GLN A 48 6.109 8.495 6.962 1.00 0.00 N ATOM 0 H GLN A 48 5.171 2.941 5.262 1.00 0.00 H new ATOM 0 HA GLN A 48 7.523 4.684 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.694 4.697 6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.957 5.368 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.680 6.632 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.039 6.285 4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.067 8.355 6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.871 9.320 7.512 1.00 0.00 H new ATOM 686 N LYS A 49 8.103 3.768 8.011 1.00 0.00 N ATOM 687 CA LYS A 49 8.699 3.013 9.100 1.00 0.00 C ATOM 688 C LYS A 49 7.591 2.462 9.999 1.00 0.00 C ATOM 689 O LYS A 49 6.417 2.776 9.808 1.00 0.00 O ATOM 690 CB LYS A 49 9.727 3.868 9.844 1.00 0.00 C ATOM 691 CG LYS A 49 9.038 4.928 10.706 1.00 0.00 C ATOM 692 CD LYS A 49 9.743 6.280 10.579 1.00 0.00 C ATOM 693 CE LYS A 49 8.907 7.395 11.211 1.00 0.00 C ATOM 694 NZ LYS A 49 9.544 7.878 12.457 1.00 0.00 N ATOM 0 H LYS A 49 8.412 4.738 7.945 1.00 0.00 H new ATOM 0 HA LYS A 49 9.251 2.156 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.349 3.231 10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.390 4.352 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.996 5.027 10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.038 4.610 11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.718 6.233 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.920 6.505 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.799 8.220 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.904 7.027 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.964 8.634 12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.624 7.092 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.492 8.248 12.242 1.00 0.00 H new ATOM 708 N ASP A 50 8.002 1.649 10.962 1.00 0.00 N ATOM 709 CA ASP A 50 7.059 1.052 11.891 1.00 0.00 C ATOM 710 C ASP A 50 6.280 -0.056 11.179 1.00 0.00 C ATOM 711 O ASP A 50 6.293 -1.207 11.612 1.00 0.00 O ATOM 712 CB ASP A 50 6.053 2.087 12.397 1.00 0.00 C ATOM 713 CG ASP A 50 5.575 1.876 13.835 1.00 0.00 C ATOM 714 OD1 ASP A 50 6.442 1.923 14.734 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.353 1.672 14.002 1.00 0.00 O ATOM 0 H ASP A 50 8.976 1.390 11.118 1.00 0.00 H new ATOM 0 HA ASP A 50 7.623 0.655 12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.504 3.077 12.322 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.185 2.081 11.737 1.00 0.00 H new ATOM 720 N GLY A 51 5.619 0.331 10.097 1.00 0.00 N ATOM 721 CA GLY A 51 4.836 -0.615 9.321 1.00 0.00 C ATOM 722 C GLY A 51 3.629 0.071 8.677 1.00 0.00 C ATOM 723 O GLY A 51 2.520 -0.459 8.707 1.00 0.00 O ATOM 0 H GLY A 51 5.610 1.286 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.461 -1.062 8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.497 -1.427 9.965 1.00 0.00 H new ATOM 727 N MET A 52 3.887 1.240 8.109 1.00 0.00 N ATOM 728 CA MET A 52 2.836 2.004 7.459 1.00 0.00 C ATOM 729 C MET A 52 3.043 2.042 5.943 1.00 0.00 C ATOM 730 O MET A 52 4.129 1.737 5.454 1.00 0.00 O ATOM 731 CB MET A 52 2.827 3.432 8.009 1.00 0.00 C ATOM 732 CG MET A 52 1.951 3.532 9.260 1.00 0.00 C ATOM 733 SD MET A 52 1.037 5.065 9.244 1.00 0.00 S ATOM 734 CE MET A 52 -0.449 4.532 8.409 1.00 0.00 C ATOM 0 H MET A 52 4.809 1.677 8.086 1.00 0.00 H new ATOM 0 HA MET A 52 1.881 1.520 7.665 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.845 3.740 8.248 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.457 4.117 7.246 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.262 2.689 9.300 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.572 3.479 10.154 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.940 5.393 7.955 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.192 3.810 7.634 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.124 4.067 9.128 1.00 0.00 H new ATOM 744 N GLY A 53 1.983 2.420 5.243 1.00 0.00 N ATOM 745 CA GLY A 53 2.036 2.502 3.793 1.00 0.00 C ATOM 746 C GLY A 53 0.944 3.431 3.257 1.00 0.00 C ATOM 747 O GLY A 53 0.024 3.799 3.986 1.00 0.00 O ATOM 0 H GLY A 53 1.084 2.673 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.015 2.867 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.915 1.507 3.364 1.00 0.00 H new ATOM 751 N MET A 54 1.083 3.783 1.987 1.00 0.00 N ATOM 752 CA MET A 54 0.120 4.662 1.345 1.00 0.00 C ATOM 753 C MET A 54 0.101 4.441 -0.169 1.00 0.00 C ATOM 754 O MET A 54 1.124 4.589 -0.835 1.00 0.00 O ATOM 755 CB MET A 54 0.479 6.119 1.644 1.00 0.00 C ATOM 756 CG MET A 54 -0.697 7.048 1.337 1.00 0.00 C ATOM 757 SD MET A 54 -0.168 8.366 0.257 1.00 0.00 S ATOM 758 CE MET A 54 -0.230 7.523 -1.315 1.00 0.00 C ATOM 0 H MET A 54 1.847 3.476 1.386 1.00 0.00 H new ATOM 0 HA MET A 54 -0.870 4.435 1.739 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.763 6.220 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.344 6.413 1.050 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.504 6.484 0.868 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.095 7.463 2.263 1.00 0.00 H new ATOM 0 HE1 MET A 54 0.021 8.222 -2.113 1.00 0.00 H new ATOM 0 HE2 MET A 54 0.485 6.700 -1.315 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.234 7.132 -1.479 1.00 0.00 H new ATOM 768 N VAL A 55 -1.075 4.090 -0.669 1.00 0.00 N ATOM 769 CA VAL A 55 -1.241 3.847 -2.092 1.00 0.00 C ATOM 770 C VAL A 55 -2.436 4.653 -2.606 1.00 0.00 C ATOM 771 O VAL A 55 -3.491 4.678 -1.975 1.00 0.00 O ATOM 772 CB VAL A 55 -1.376 2.346 -2.354 1.00 0.00 C ATOM 773 CG1 VAL A 55 -0.060 1.759 -2.870 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.850 1.610 -1.099 1.00 0.00 C ATOM 0 H VAL A 55 -1.922 3.968 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.362 4.182 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.131 2.208 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.183 0.691 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.218 2.253 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.724 1.915 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.938 0.545 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.130 1.761 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.821 2.000 -0.794 1.00 0.00 H new ATOM 784 N GLU A 56 -2.229 5.293 -3.748 1.00 0.00 N ATOM 785 CA GLU A 56 -3.275 6.099 -4.354 1.00 0.00 C ATOM 786 C GLU A 56 -3.738 5.465 -5.668 1.00 0.00 C ATOM 787 O GLU A 56 -2.922 5.166 -6.538 1.00 0.00 O ATOM 788 CB GLU A 56 -2.802 7.536 -4.576 1.00 0.00 C ATOM 789 CG GLU A 56 -2.679 8.284 -3.246 1.00 0.00 C ATOM 790 CD GLU A 56 -3.520 9.562 -3.256 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.760 10.075 -4.371 1.00 0.00 O ATOM 792 OE2 GLU A 56 -3.904 9.998 -2.150 1.00 0.00 O ATOM 0 H GLU A 56 -1.353 5.270 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.123 6.133 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.838 7.531 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.504 8.057 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.003 7.638 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.634 8.533 -3.060 1.00 0.00 H new ATOM 799 N TYR A 57 -5.046 5.279 -5.770 1.00 0.00 N ATOM 800 CA TYR A 57 -5.627 4.687 -6.962 1.00 0.00 C ATOM 801 C TYR A 57 -6.134 5.767 -7.920 1.00 0.00 C ATOM 802 O TYR A 57 -6.473 6.870 -7.493 1.00 0.00 O ATOM 803 CB TYR A 57 -6.814 3.850 -6.482 1.00 0.00 C ATOM 804 CG TYR A 57 -6.420 2.508 -5.862 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.788 1.552 -6.631 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.695 2.254 -4.534 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.416 0.289 -6.048 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.324 0.991 -3.950 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.702 0.071 -4.736 1.00 0.00 C ATOM 810 OH TYR A 57 -5.351 -1.122 -4.185 1.00 0.00 O ATOM 0 H TYR A 57 -5.720 5.528 -5.046 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.885 4.093 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.378 4.426 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.481 3.667 -7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.572 1.751 -7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.189 3.003 -3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.921 -0.468 -6.639 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.535 0.779 -2.912 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.129 -1.758 -4.897 1.00 0.00 H new ATOM 820 N LEU A 58 -6.171 5.413 -9.196 1.00 0.00 N ATOM 821 CA LEU A 58 -6.631 6.338 -10.217 1.00 0.00 C ATOM 822 C LEU A 58 -8.156 6.269 -10.312 1.00 0.00 C ATOM 823 O LEU A 58 -8.803 7.243 -10.693 1.00 0.00 O ATOM 824 CB LEU A 58 -5.919 6.068 -11.544 1.00 0.00 C ATOM 825 CG LEU A 58 -4.414 6.345 -11.567 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.882 6.362 -13.001 1.00 0.00 C ATOM 827 CD2 LEU A 58 -4.084 7.638 -10.818 1.00 0.00 C ATOM 0 H LEU A 58 -5.890 4.497 -9.546 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.374 7.362 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.080 5.024 -11.814 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.392 6.674 -12.317 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.908 5.532 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.810 6.561 -12.989 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.066 5.395 -13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.390 7.142 -13.568 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.008 7.812 -10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.601 8.474 -11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.408 7.550 -9.781 1.00 0.00 H new ATOM 839 N ARG A 59 -8.687 5.108 -9.958 1.00 0.00 N ATOM 840 CA ARG A 59 -10.124 4.899 -9.999 1.00 0.00 C ATOM 841 C ARG A 59 -10.686 4.795 -8.580 1.00 0.00 C ATOM 842 O ARG A 59 -10.081 4.164 -7.714 1.00 0.00 O ATOM 843 CB ARG A 59 -10.474 3.626 -10.773 1.00 0.00 C ATOM 844 CG ARG A 59 -9.791 3.611 -12.142 1.00 0.00 C ATOM 845 CD ARG A 59 -10.326 4.734 -13.034 1.00 0.00 C ATOM 846 NE ARG A 59 -10.884 4.166 -14.281 1.00 0.00 N ATOM 847 CZ ARG A 59 -12.126 3.677 -14.393 1.00 0.00 C ATOM 848 NH1 ARG A 59 -12.947 3.682 -13.334 1.00 0.00 N ATOM 849 NH2 ARG A 59 -12.548 3.182 -15.565 1.00 0.00 N ATOM 0 H ARG A 59 -8.148 4.302 -9.641 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.569 5.754 -10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.166 2.751 -10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.554 3.559 -10.901 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.714 3.723 -12.016 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.957 2.648 -12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.095 5.296 -12.504 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.525 5.435 -13.270 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.286 4.146 -15.107 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.626 4.058 -12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.893 3.309 -13.420 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.923 3.178 -16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.494 2.810 -15.650 1.00 0.00 H new ATOM 863 N LYS A 60 -11.836 5.423 -8.385 1.00 0.00 N ATOM 864 CA LYS A 60 -12.486 5.409 -7.086 1.00 0.00 C ATOM 865 C LYS A 60 -12.764 3.962 -6.675 1.00 0.00 C ATOM 866 O LYS A 60 -12.338 3.523 -5.607 1.00 0.00 O ATOM 867 CB LYS A 60 -13.734 6.294 -7.101 1.00 0.00 C ATOM 868 CG LYS A 60 -14.356 6.389 -5.706 1.00 0.00 C ATOM 869 CD LYS A 60 -15.753 7.009 -5.770 1.00 0.00 C ATOM 870 CE LYS A 60 -16.556 6.684 -4.509 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.638 7.675 -4.314 1.00 0.00 N ATOM 0 H LYS A 60 -12.335 5.945 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.830 5.836 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.473 7.291 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.464 5.888 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.415 5.395 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.717 6.990 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.670 8.090 -5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.281 6.635 -6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.981 5.684 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.896 6.681 -3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.173 7.440 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.225 8.625 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.277 7.658 -5.135 1.00 0.00 H new ATOM 885 N GLU A 61 -13.477 3.260 -7.543 1.00 0.00 N ATOM 886 CA GLU A 61 -13.817 1.871 -7.284 1.00 0.00 C ATOM 887 C GLU A 61 -12.599 1.118 -6.745 1.00 0.00 C ATOM 888 O GLU A 61 -12.666 0.499 -5.685 1.00 0.00 O ATOM 889 CB GLU A 61 -14.365 1.197 -8.543 1.00 0.00 C ATOM 890 CG GLU A 61 -15.729 0.559 -8.273 1.00 0.00 C ATOM 891 CD GLU A 61 -15.777 -0.877 -8.802 1.00 0.00 C ATOM 892 OE1 GLU A 61 -15.405 -1.060 -9.981 1.00 0.00 O ATOM 893 OE2 GLU A 61 -16.185 -1.758 -8.014 1.00 0.00 O ATOM 0 H GLU A 61 -13.829 3.627 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.601 1.844 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.455 1.931 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.665 0.436 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.931 0.563 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.512 1.151 -8.747 1.00 0.00 H new ATOM 900 N ASP A 62 -11.513 1.196 -7.501 1.00 0.00 N ATOM 901 CA ASP A 62 -10.282 0.529 -7.113 1.00 0.00 C ATOM 902 C ASP A 62 -10.054 0.722 -5.612 1.00 0.00 C ATOM 903 O ASP A 62 -9.779 -0.238 -4.894 1.00 0.00 O ATOM 904 CB ASP A 62 -9.079 1.119 -7.853 1.00 0.00 C ATOM 905 CG ASP A 62 -9.011 0.786 -9.344 1.00 0.00 C ATOM 906 OD1 ASP A 62 -9.966 0.138 -9.825 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.006 1.187 -9.970 1.00 0.00 O ATOM 0 H ASP A 62 -11.460 1.711 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.377 -0.528 -7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.097 2.203 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.167 0.763 -7.374 1.00 0.00 H new ATOM 912 N MET A 63 -10.178 1.969 -5.182 1.00 0.00 N ATOM 913 CA MET A 63 -9.989 2.299 -3.780 1.00 0.00 C ATOM 914 C MET A 63 -10.860 1.414 -2.886 1.00 0.00 C ATOM 915 O MET A 63 -10.345 0.587 -2.135 1.00 0.00 O ATOM 916 CB MET A 63 -10.349 3.769 -3.549 1.00 0.00 C ATOM 917 CG MET A 63 -9.871 4.240 -2.174 1.00 0.00 C ATOM 918 SD MET A 63 -10.287 5.960 -1.939 1.00 0.00 S ATOM 919 CE MET A 63 -11.964 5.959 -2.553 1.00 0.00 C ATOM 0 H MET A 63 -10.407 2.763 -5.780 1.00 0.00 H new ATOM 0 HA MET A 63 -8.944 2.126 -3.523 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.896 4.385 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.428 3.900 -3.627 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.332 3.636 -1.393 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.793 4.103 -2.088 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.498 6.821 -2.154 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.953 6.011 -3.642 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.466 5.044 -2.239 1.00 0.00 H new ATOM 929 N GLU A 64 -12.165 1.617 -2.997 1.00 0.00 N ATOM 930 CA GLU A 64 -13.112 0.848 -2.208 1.00 0.00 C ATOM 931 C GLU A 64 -12.892 -0.650 -2.428 1.00 0.00 C ATOM 932 O GLU A 64 -12.891 -1.428 -1.475 1.00 0.00 O ATOM 933 CB GLU A 64 -14.551 1.246 -2.538 1.00 0.00 C ATOM 934 CG GLU A 64 -14.762 2.749 -2.349 1.00 0.00 C ATOM 935 CD GLU A 64 -16.229 3.064 -2.046 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.655 2.746 -0.914 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.890 3.614 -2.952 1.00 0.00 O ATOM 0 H GLU A 64 -12.588 2.303 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.942 1.069 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.782 0.970 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.240 0.695 -1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.134 3.108 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.451 3.279 -3.249 1.00 0.00 H new ATOM 944 N TYR A 65 -12.712 -1.010 -3.690 1.00 0.00 N ATOM 945 CA TYR A 65 -12.492 -2.401 -4.048 1.00 0.00 C ATOM 946 C TYR A 65 -11.383 -3.018 -3.194 1.00 0.00 C ATOM 947 O TYR A 65 -11.641 -3.906 -2.382 1.00 0.00 O ATOM 948 CB TYR A 65 -12.049 -2.395 -5.512 1.00 0.00 C ATOM 949 CG TYR A 65 -11.646 -3.771 -6.046 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.378 -4.261 -5.806 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.551 -4.523 -6.767 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.000 -5.556 -6.309 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.173 -5.818 -7.270 1.00 0.00 C ATOM 954 CZ TYR A 65 -10.916 -6.271 -7.016 1.00 0.00 C ATOM 955 OH TYR A 65 -10.558 -7.494 -7.490 1.00 0.00 O ATOM 0 H TYR A 65 -12.714 -0.362 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.398 -2.986 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.860 -2.002 -6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.206 -1.712 -5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.670 -3.673 -5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.543 -4.140 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.011 -5.951 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.872 -6.416 -7.836 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.312 -7.890 -7.975 1.00 0.00 H new ATOM 965 N ALA A 66 -10.172 -2.523 -3.406 1.00 0.00 N ATOM 966 CA ALA A 66 -9.023 -3.015 -2.665 1.00 0.00 C ATOM 967 C ALA A 66 -9.277 -2.846 -1.166 1.00 0.00 C ATOM 968 O ALA A 66 -8.902 -3.704 -0.369 1.00 0.00 O ATOM 969 CB ALA A 66 -7.764 -2.280 -3.129 1.00 0.00 C ATOM 0 H ALA A 66 -9.962 -1.787 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.870 -4.077 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.902 -2.649 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.612 -2.456 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.880 -1.211 -2.951 1.00 0.00 H new ATOM 975 N LEU A 67 -9.913 -1.734 -0.828 1.00 0.00 N ATOM 976 CA LEU A 67 -10.221 -1.441 0.562 1.00 0.00 C ATOM 977 C LEU A 67 -10.915 -2.651 1.191 1.00 0.00 C ATOM 978 O LEU A 67 -10.426 -3.212 2.171 1.00 0.00 O ATOM 979 CB LEU A 67 -11.027 -0.145 0.671 1.00 0.00 C ATOM 980 CG LEU A 67 -10.214 1.151 0.684 1.00 0.00 C ATOM 981 CD1 LEU A 67 -11.126 2.372 0.552 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.327 1.229 1.928 1.00 0.00 C ATOM 0 H LEU A 67 -10.224 -1.025 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.305 -1.268 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.726 -0.104 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.622 -0.186 1.583 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.553 1.148 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.523 3.280 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.677 2.315 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.829 2.393 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.760 2.160 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.950 1.199 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.638 0.384 1.937 1.00 0.00 H new ATOM 994 N ARG A 68 -12.044 -3.018 0.602 1.00 0.00 N ATOM 995 CA ARG A 68 -12.810 -4.151 1.093 1.00 0.00 C ATOM 996 C ARG A 68 -12.092 -5.461 0.762 1.00 0.00 C ATOM 997 O ARG A 68 -11.644 -6.171 1.660 1.00 0.00 O ATOM 998 CB ARG A 68 -14.211 -4.176 0.479 1.00 0.00 C ATOM 999 CG ARG A 68 -14.900 -2.818 0.628 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.146 -2.487 2.101 1.00 0.00 C ATOM 1001 NE ARG A 68 -15.849 -1.190 2.218 1.00 0.00 N ATOM 1002 CZ ARG A 68 -16.505 -0.787 3.315 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -16.552 -1.577 4.396 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -17.114 0.407 3.330 1.00 0.00 N ATOM 0 H ARG A 68 -12.447 -2.551 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.901 -4.046 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.145 -4.440 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.810 -4.947 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.283 -2.042 0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.848 -2.826 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.739 -3.275 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.197 -2.445 2.636 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.833 -0.563 1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.088 -2.485 4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.051 -1.270 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.078 1.008 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.613 0.714 4.165 1.00 0.00 H new ATOM 1018 N LYS A 69 -12.005 -5.740 -0.531 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.349 -6.952 -0.992 1.00 0.00 C ATOM 1020 C LYS A 69 -10.162 -7.263 -0.078 1.00 0.00 C ATOM 1021 O LYS A 69 -10.130 -8.308 0.571 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.972 -6.828 -2.469 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.132 -7.259 -3.369 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.224 -6.188 -3.407 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.333 -6.570 -4.389 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.287 -7.507 -3.754 1.00 0.00 N ATOM 0 H LYS A 69 -12.378 -5.148 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.030 -7.801 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.697 -5.797 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.097 -7.444 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.764 -7.444 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.550 -8.197 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.645 -6.058 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.790 -5.231 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.859 -5.674 -4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.899 -7.030 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.033 -7.756 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.784 -8.369 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.715 -7.055 -2.921 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.214 -6.337 -0.056 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.028 -6.500 0.767 1.00 0.00 C ATOM 1042 C LEU A 70 -8.431 -6.486 2.243 1.00 0.00 C ATOM 1043 O LEU A 70 -8.243 -7.474 2.951 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.977 -5.448 0.406 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.704 -5.257 -1.087 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.775 -4.066 -1.327 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.161 -6.543 -1.713 1.00 0.00 C ATOM 0 H LEU A 70 -9.244 -5.472 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.559 -7.465 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.291 -4.491 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.040 -5.716 0.895 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.649 -5.032 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.597 -3.953 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.238 -3.159 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.826 -4.236 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.975 -6.381 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.230 -6.822 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.891 -7.343 -1.591 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.978 -5.355 2.663 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.409 -5.199 4.042 1.00 0.00 C ATOM 1061 C ASP A 71 -8.756 -6.283 4.902 1.00 0.00 C ATOM 1062 O ASP A 71 -9.375 -7.303 5.198 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.927 -5.350 4.165 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.482 -5.174 5.580 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -11.171 -4.126 6.185 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.204 -6.093 6.024 1.00 0.00 O ATOM 0 H ASP A 71 -9.133 -4.538 2.073 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.117 -4.203 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.404 -4.620 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.209 -6.338 3.800 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.512 -6.024 5.278 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.767 -6.965 6.098 1.00 0.00 C ATOM 1073 C ASP A 72 -6.360 -8.167 5.245 1.00 0.00 C ATOM 1074 O ASP A 72 -7.182 -9.035 4.956 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.620 -7.477 7.260 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.832 -7.913 8.497 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -5.599 -8.062 8.361 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.481 -8.088 9.551 1.00 0.00 O ATOM 0 H ASP A 72 -7.001 -5.177 5.030 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.891 -6.449 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.319 -6.693 7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.215 -8.321 6.910 1.00 0.00 H new ATOM 1083 N THR A 73 -5.090 -8.180 4.865 1.00 0.00 N ATOM 1084 CA THR A 73 -4.564 -9.261 4.050 1.00 0.00 C ATOM 1085 C THR A 73 -3.157 -9.642 4.515 1.00 0.00 C ATOM 1086 O THR A 73 -2.541 -8.922 5.299 1.00 0.00 O ATOM 1087 CB THR A 73 -4.622 -8.822 2.586 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.066 -7.510 2.595 1.00 0.00 O ATOM 1089 CG2 THR A 73 -6.055 -8.616 2.093 1.00 0.00 C ATOM 0 H THR A 73 -4.411 -7.459 5.107 1.00 0.00 H new ATOM 0 HA THR A 73 -5.164 -10.165 4.156 1.00 0.00 H new ATOM 0 HB THR A 73 -4.128 -9.568 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.607 -7.343 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.039 -8.305 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.609 -9.550 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.539 -7.846 2.693 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.688 -10.775 4.011 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.365 -11.261 4.365 1.00 0.00 C ATOM 1099 C LYS A 74 -0.362 -10.818 3.298 1.00 0.00 C ATOM 1100 O LYS A 74 -0.256 -11.442 2.244 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.393 -12.773 4.593 1.00 0.00 C ATOM 1102 CG LYS A 74 0.010 -13.310 4.880 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.025 -14.814 5.162 1.00 0.00 C ATOM 1104 CE LYS A 74 0.571 -15.604 3.995 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.645 -17.044 4.329 1.00 0.00 N ATOM 0 H LYS A 74 -3.201 -11.370 3.360 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.039 -10.826 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.053 -13.006 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.803 -13.269 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.661 -13.111 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.436 -12.786 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.532 -15.030 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.053 -15.132 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.039 -15.462 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.567 -15.227 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.052 -17.566 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.246 -17.175 5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.310 -17.404 4.528 1.00 0.00 H new ATOM 1119 N PHE A 75 0.348 -9.743 3.609 1.00 0.00 N ATOM 1120 CA PHE A 75 1.339 -9.210 2.690 1.00 0.00 C ATOM 1121 C PHE A 75 2.695 -9.888 2.892 1.00 0.00 C ATOM 1122 O PHE A 75 3.271 -9.823 3.976 1.00 0.00 O ATOM 1123 CB PHE A 75 1.477 -7.718 2.999 1.00 0.00 C ATOM 1124 CG PHE A 75 2.578 -7.016 2.200 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.748 -7.302 0.881 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.386 -6.107 2.809 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.769 -6.651 0.140 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.407 -5.457 2.067 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.577 -5.742 0.748 1.00 0.00 C ATOM 0 H PHE A 75 0.256 -9.227 4.484 1.00 0.00 H new ATOM 0 HA PHE A 75 1.025 -9.386 1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.526 -7.226 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.680 -7.595 4.063 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.106 -8.024 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.251 -5.880 3.856 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.904 -6.878 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.049 -4.736 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.353 -5.247 0.184 1.00 0.00 H new ATOM 1139 N ARG A 76 3.166 -10.524 1.829 1.00 0.00 N ATOM 1140 CA ARG A 76 4.444 -11.214 1.876 1.00 0.00 C ATOM 1141 C ARG A 76 5.552 -10.319 1.315 1.00 0.00 C ATOM 1142 O ARG A 76 5.598 -10.064 0.113 1.00 0.00 O ATOM 1143 CB ARG A 76 4.396 -12.517 1.075 1.00 0.00 C ATOM 1144 CG ARG A 76 5.690 -13.315 1.248 1.00 0.00 C ATOM 1145 CD ARG A 76 5.606 -14.660 0.524 1.00 0.00 C ATOM 1146 NE ARG A 76 6.965 -15.142 0.191 1.00 0.00 N ATOM 1147 CZ ARG A 76 7.230 -16.354 -0.316 1.00 0.00 C ATOM 1148 NH1 ARG A 76 6.230 -17.215 -0.550 1.00 0.00 N ATOM 1149 NH2 ARG A 76 8.494 -16.705 -0.588 1.00 0.00 N ATOM 0 H ARG A 76 2.686 -10.576 0.931 1.00 0.00 H new ATOM 0 HA ARG A 76 4.656 -11.449 2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.547 -13.118 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.241 -12.294 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.531 -12.740 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.881 -13.480 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.097 -15.390 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.015 -14.556 -0.386 1.00 0.00 H new ATOM 0 HE ARG A 76 7.750 -14.512 0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.268 -16.948 -0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.431 -18.138 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.255 -16.050 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.695 -17.627 -0.974 1.00 0.00 H new ATOM 1163 N SER A 77 6.415 -9.868 2.213 1.00 0.00 N ATOM 1164 CA SER A 77 7.519 -9.007 1.822 1.00 0.00 C ATOM 1165 C SER A 77 8.490 -9.776 0.925 1.00 0.00 C ATOM 1166 O SER A 77 8.214 -10.909 0.532 1.00 0.00 O ATOM 1167 CB SER A 77 8.250 -8.459 3.049 1.00 0.00 C ATOM 1168 OG SER A 77 8.918 -9.487 3.776 1.00 0.00 O ATOM 0 H SER A 77 6.373 -10.082 3.209 1.00 0.00 H new ATOM 0 HA SER A 77 7.114 -8.162 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.975 -7.708 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.536 -7.958 3.703 1.00 0.00 H new ATOM 0 HG SER A 77 8.255 -10.067 4.206 1.00 0.00 H new ATOM 1174 N HIS A 78 9.608 -9.130 0.626 1.00 0.00 N ATOM 1175 CA HIS A 78 10.622 -9.739 -0.218 1.00 0.00 C ATOM 1176 C HIS A 78 11.492 -10.677 0.621 1.00 0.00 C ATOM 1177 O HIS A 78 12.286 -11.444 0.079 1.00 0.00 O ATOM 1178 CB HIS A 78 11.436 -8.669 -0.947 1.00 0.00 C ATOM 1179 CG HIS A 78 12.585 -8.114 -0.140 1.00 0.00 C ATOM 1180 ND1 HIS A 78 13.752 -7.649 -0.719 1.00 0.00 N ATOM 1181 CD2 HIS A 78 12.733 -7.955 1.207 1.00 0.00 C ATOM 1182 CE1 HIS A 78 14.560 -7.231 0.245 1.00 0.00 C ATOM 1183 NE2 HIS A 78 13.926 -7.422 1.438 1.00 0.00 N ATOM 0 H HIS A 78 9.834 -8.191 0.953 1.00 0.00 H new ATOM 0 HA HIS A 78 10.144 -10.339 -0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.827 -9.092 -1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.773 -7.850 -1.226 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.003 -8.218 1.958 1.00 0.00 H new ATOM 0 HE1 HIS A 78 15.547 -6.813 0.110 1.00 0.00 H new ATOM 0 HE2 HIS A 78 14.306 -7.193 2.356 1.00 0.00 H new ATOM 1191 N GLU A 79 11.314 -10.584 1.931 1.00 0.00 N ATOM 1192 CA GLU A 79 12.073 -11.414 2.850 1.00 0.00 C ATOM 1193 C GLU A 79 11.258 -12.646 3.250 1.00 0.00 C ATOM 1194 O GLU A 79 11.702 -13.450 4.069 1.00 0.00 O ATOM 1195 CB GLU A 79 12.502 -10.617 4.083 1.00 0.00 C ATOM 1196 CG GLU A 79 13.792 -9.840 3.812 1.00 0.00 C ATOM 1197 CD GLU A 79 15.013 -10.759 3.891 1.00 0.00 C ATOM 1198 OE1 GLU A 79 14.959 -11.830 3.248 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.972 -10.371 4.591 1.00 0.00 O ATOM 0 H GLU A 79 10.655 -9.946 2.377 1.00 0.00 H new ATOM 0 HA GLU A 79 12.977 -11.750 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.709 -9.925 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.651 -11.294 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.743 -9.379 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.893 -9.032 4.537 1.00 0.00 H new ATOM 1206 N GLY A 80 10.080 -12.755 2.654 1.00 0.00 N ATOM 1207 CA GLY A 80 9.199 -13.875 2.938 1.00 0.00 C ATOM 1208 C GLY A 80 8.269 -13.558 4.111 1.00 0.00 C ATOM 1209 O GLY A 80 7.128 -14.016 4.145 1.00 0.00 O ATOM 0 H GLY A 80 9.715 -12.086 1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.607 -14.110 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.793 -14.760 3.169 1.00 0.00 H new ATOM 1213 N GLU A 81 8.793 -12.777 5.044 1.00 0.00 N ATOM 1214 CA GLU A 81 8.024 -12.393 6.216 1.00 0.00 C ATOM 1215 C GLU A 81 6.659 -11.842 5.799 1.00 0.00 C ATOM 1216 O GLU A 81 6.572 -11.002 4.904 1.00 0.00 O ATOM 1217 CB GLU A 81 8.790 -11.376 7.065 1.00 0.00 C ATOM 1218 CG GLU A 81 9.848 -12.067 7.927 1.00 0.00 C ATOM 1219 CD GLU A 81 10.854 -11.053 8.477 1.00 0.00 C ATOM 1220 OE1 GLU A 81 11.483 -10.368 7.643 1.00 0.00 O ATOM 1221 OE2 GLU A 81 10.970 -10.988 9.720 1.00 0.00 O ATOM 0 H GLU A 81 9.740 -12.400 5.013 1.00 0.00 H new ATOM 0 HA GLU A 81 7.864 -13.281 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.267 -10.642 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.094 -10.832 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.365 -12.590 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.370 -12.819 7.335 1.00 0.00 H new ATOM 1228 N THR A 82 5.627 -12.338 6.466 1.00 0.00 N ATOM 1229 CA THR A 82 4.271 -11.906 6.175 1.00 0.00 C ATOM 1230 C THR A 82 3.644 -11.251 7.408 1.00 0.00 C ATOM 1231 O THR A 82 4.025 -11.554 8.537 1.00 0.00 O ATOM 1232 CB THR A 82 3.488 -13.117 5.666 1.00 0.00 C ATOM 1233 OG1 THR A 82 3.454 -14.003 6.782 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.249 -13.898 4.593 1.00 0.00 C ATOM 0 H THR A 82 5.703 -13.035 7.207 1.00 0.00 H new ATOM 0 HA THR A 82 4.257 -11.142 5.398 1.00 0.00 H new ATOM 0 HB THR A 82 2.531 -12.786 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.963 -14.816 6.540 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.649 -14.747 4.266 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.449 -13.247 3.742 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.192 -14.258 5.005 1.00 0.00 H new ATOM 1242 N SER A 83 2.693 -10.365 7.149 1.00 0.00 N ATOM 1243 CA SER A 83 2.010 -9.665 8.223 1.00 0.00 C ATOM 1244 C SER A 83 0.603 -9.266 7.776 1.00 0.00 C ATOM 1245 O SER A 83 0.318 -9.218 6.580 1.00 0.00 O ATOM 1246 CB SER A 83 2.798 -8.430 8.664 1.00 0.00 C ATOM 1247 OG SER A 83 3.939 -8.775 9.444 1.00 0.00 O ATOM 0 H SER A 83 2.380 -10.116 6.211 1.00 0.00 H new ATOM 0 HA SER A 83 1.935 -10.338 9.077 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.116 -7.870 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.148 -7.773 9.243 1.00 0.00 H new ATOM 0 HG SER A 83 4.089 -9.742 9.395 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.240 -8.989 8.759 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.611 -8.595 8.482 1.00 0.00 C ATOM 1255 C TYR A 84 -1.731 -7.074 8.360 1.00 0.00 C ATOM 1256 O TYR A 84 -1.674 -6.362 9.361 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.436 -9.065 9.681 1.00 0.00 C ATOM 1258 CG TYR A 84 -3.450 -10.162 9.347 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.162 -11.093 8.370 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -4.651 -10.220 10.024 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -4.116 -12.125 8.056 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -5.605 -11.252 9.710 1.00 0.00 C ATOM 1263 CZ TYR A 84 -5.290 -12.154 8.741 1.00 0.00 C ATOM 1264 OH TYR A 84 -6.191 -13.128 8.445 1.00 0.00 O ATOM 0 H TYR A 84 -0.000 -9.030 9.750 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.953 -9.031 7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.760 -9.432 10.453 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.966 -8.210 10.102 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.221 -11.048 7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.875 -9.492 10.789 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.904 -12.860 7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.549 -11.309 10.232 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.982 -13.025 9.014 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.894 -6.622 7.126 1.00 0.00 N ATOM 1275 CA ILE A 85 -2.022 -5.199 6.860 1.00 0.00 C ATOM 1276 C ILE A 85 -3.480 -4.876 6.529 1.00 0.00 C ATOM 1277 O ILE A 85 -4.087 -5.528 5.680 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.034 -4.765 5.776 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.254 -5.556 4.485 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.409 -4.872 6.275 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -1.048 -4.668 3.256 1.00 0.00 C ATOM 0 H ILE A 85 -1.940 -7.216 6.298 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.760 -4.621 7.746 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.218 -3.716 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.564 -6.399 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.263 -5.969 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.091 -4.558 5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.541 -4.230 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.623 -5.905 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.210 -5.255 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.756 -3.840 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.031 -4.276 3.257 1.00 0.00 H new ATOM 1293 N ARG A 86 -4.001 -3.869 7.215 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.376 -3.451 7.004 1.00 0.00 C ATOM 1295 C ARG A 86 -5.443 -2.368 5.925 1.00 0.00 C ATOM 1296 O ARG A 86 -4.463 -1.664 5.687 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.993 -2.913 8.296 1.00 0.00 C ATOM 1298 CG ARG A 86 -7.046 -3.878 8.845 1.00 0.00 C ATOM 1299 CD ARG A 86 -8.453 -3.297 8.695 1.00 0.00 C ATOM 1300 NE ARG A 86 -8.964 -2.860 10.014 1.00 0.00 N ATOM 1301 CZ ARG A 86 -9.148 -3.680 11.057 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -8.865 -4.984 10.943 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -9.615 -3.195 12.216 1.00 0.00 N ATOM 0 H ARG A 86 -3.495 -3.330 7.918 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.942 -4.325 6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.211 -2.760 9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.449 -1.941 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.983 -4.829 8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.844 -4.083 9.896 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.435 -2.453 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.120 -4.045 8.267 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.190 -1.873 10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.509 -5.353 10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.005 -5.608 11.738 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.830 -2.202 12.303 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.755 -3.819 13.010 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.607 -2.270 5.301 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.814 -1.284 4.254 1.00 0.00 C ATOM 1319 C VAL A 87 -7.999 -0.391 4.626 1.00 0.00 C ATOM 1320 O VAL A 87 -9.119 -0.875 4.787 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.993 -1.984 2.905 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.678 -1.034 1.748 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.136 -3.249 2.825 1.00 0.00 C ATOM 0 H VAL A 87 -7.417 -2.857 5.500 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.940 -0.640 4.158 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.038 -2.282 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.813 -1.557 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.350 -0.176 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.647 -0.691 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.282 -3.727 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.085 -2.985 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.429 -3.938 3.617 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.713 0.896 4.751 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.741 1.861 5.102 1.00 0.00 C ATOM 1335 C TYR A 88 -8.450 3.225 4.472 1.00 0.00 C ATOM 1336 O TYR A 88 -7.304 3.532 4.150 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.693 1.995 6.625 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.313 2.365 7.174 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.338 1.397 7.299 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -7.045 3.667 7.543 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -5.039 1.746 7.815 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.746 4.016 8.060 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.808 3.038 8.170 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.582 3.367 8.658 1.00 0.00 O ATOM 0 H TYR A 88 -6.784 1.294 4.615 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.716 1.531 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.412 2.753 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.010 1.053 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.548 0.378 7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.809 4.424 7.444 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.266 0.998 7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.523 5.031 8.353 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.560 4.324 8.869 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.537 4.027 4.313 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.409 5.351 3.728 1.00 0.00 C ATOM 1356 C PRO A 89 -8.788 6.333 4.723 1.00 0.00 C ATOM 1357 O PRO A 89 -8.513 5.973 5.866 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.821 5.737 3.316 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.748 4.823 4.101 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.910 3.697 4.683 1.00 0.00 C ATOM 0 HA PRO A 89 -8.738 5.368 2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.021 6.784 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -10.963 5.610 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.247 5.377 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.528 4.423 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.025 3.637 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.208 2.731 4.276 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.583 7.554 4.251 1.00 0.00 N ATOM 1369 CA GLU A 90 -7.999 8.591 5.086 1.00 0.00 C ATOM 1370 C GLU A 90 -9.065 9.201 5.999 1.00 0.00 C ATOM 1371 O GLU A 90 -10.123 9.618 5.531 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.327 9.667 4.232 1.00 0.00 C ATOM 1373 CG GLU A 90 -6.111 10.257 4.950 1.00 0.00 C ATOM 1374 CD GLU A 90 -6.329 11.737 5.272 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -6.881 12.433 4.393 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -5.939 12.138 6.390 1.00 0.00 O ATOM 0 H GLU A 90 -8.811 7.849 3.301 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.230 8.137 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.018 9.239 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.042 10.459 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.924 9.704 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.225 10.144 4.325 1.00 0.00 H new ATOM 1383 N ARG A 91 -8.748 9.233 7.285 1.00 0.00 N ATOM 1384 CA ARG A 91 -9.665 9.786 8.267 1.00 0.00 C ATOM 1385 C ARG A 91 -9.166 11.149 8.752 1.00 0.00 C ATOM 1386 O ARG A 91 -7.968 11.338 8.958 1.00 0.00 O ATOM 1387 CB ARG A 91 -9.815 8.849 9.468 1.00 0.00 C ATOM 1388 CG ARG A 91 -11.231 8.918 10.043 1.00 0.00 C ATOM 1389 CD ARG A 91 -11.700 7.539 10.511 1.00 0.00 C ATOM 1390 NE ARG A 91 -12.960 7.665 11.276 1.00 0.00 N ATOM 1391 CZ ARG A 91 -13.623 6.630 11.810 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -13.148 5.385 11.665 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -14.759 6.839 12.488 1.00 0.00 N ATOM 0 H ARG A 91 -7.870 8.885 7.669 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.636 9.901 7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.591 7.826 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.092 9.120 10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.254 9.617 10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.916 9.302 9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.851 6.886 9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.933 7.076 11.132 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.349 8.599 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.283 5.226 11.149 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.652 4.596 12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.120 7.787 12.598 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.263 6.051 12.894 1.00 0.00 H new ATOM 1407 N SER A 92 -10.110 12.063 8.919 1.00 0.00 N ATOM 1408 CA SER A 92 -9.782 13.403 9.375 1.00 0.00 C ATOM 1409 C SER A 92 -8.927 14.118 8.327 1.00 0.00 C ATOM 1410 O SER A 92 -7.702 14.151 8.436 1.00 0.00 O ATOM 1411 CB SER A 92 -9.051 13.364 10.719 1.00 0.00 C ATOM 1412 OG SER A 92 -9.073 14.628 11.376 1.00 0.00 O ATOM 0 H SER A 92 -11.102 11.902 8.747 1.00 0.00 H new ATOM 0 HA SER A 92 -10.712 13.954 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.513 12.614 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.018 13.056 10.561 1.00 0.00 H new ATOM 0 HG SER A 92 -8.598 14.561 12.230 1.00 0.00 H new ATOM 1418 N SER A 93 -9.606 14.673 7.334 1.00 0.00 N ATOM 1419 CA SER A 93 -8.925 15.385 6.266 1.00 0.00 C ATOM 1420 C SER A 93 -8.437 16.744 6.772 1.00 0.00 C ATOM 1421 O SER A 93 -9.201 17.498 7.372 1.00 0.00 O ATOM 1422 CB SER A 93 -9.840 15.567 5.054 1.00 0.00 C ATOM 1423 OG SER A 93 -10.173 14.323 4.445 1.00 0.00 O ATOM 0 H SER A 93 -10.622 14.644 7.247 1.00 0.00 H new ATOM 0 HA SER A 93 -8.066 14.791 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.753 16.076 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.349 16.209 4.322 1.00 0.00 H new ATOM 0 HG SER A 93 -10.760 14.482 3.676 1.00 0.00 H new ATOM 1429 N GLY A 94 -7.166 17.015 6.512 1.00 0.00 N ATOM 1430 CA GLY A 94 -6.567 18.269 6.934 1.00 0.00 C ATOM 1431 C GLY A 94 -7.305 19.462 6.324 1.00 0.00 C ATOM 1432 O GLY A 94 -7.886 19.351 5.245 1.00 0.00 O ATOM 0 H GLY A 94 -6.535 16.387 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.591 18.340 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.519 18.294 6.636 1.00 0.00 H new ATOM 1436 N PRO A 95 -7.258 20.605 7.059 1.00 0.00 N ATOM 1437 CA PRO A 95 -7.915 21.818 6.601 1.00 0.00 C ATOM 1438 C PRO A 95 -7.127 22.474 5.465 1.00 0.00 C ATOM 1439 O PRO A 95 -6.094 21.956 5.042 1.00 0.00 O ATOM 1440 CB PRO A 95 -8.022 22.697 7.835 1.00 0.00 C ATOM 1441 CG PRO A 95 -7.012 22.146 8.829 1.00 0.00 C ATOM 1442 CD PRO A 95 -6.579 20.774 8.340 1.00 0.00 C ATOM 0 HA PRO A 95 -8.901 21.628 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.804 23.737 7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.031 22.670 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.153 22.812 8.909 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.454 22.075 9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.497 20.718 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.865 19.994 9.046 1.00 0.00 H new ATOM 1450 N SER A 96 -7.643 23.603 5.005 1.00 0.00 N ATOM 1451 CA SER A 96 -7.000 24.335 3.927 1.00 0.00 C ATOM 1452 C SER A 96 -7.316 25.828 4.047 1.00 0.00 C ATOM 1453 O SER A 96 -8.352 26.287 3.567 1.00 0.00 O ATOM 1454 CB SER A 96 -7.444 23.807 2.561 1.00 0.00 C ATOM 1455 OG SER A 96 -6.402 23.092 1.901 1.00 0.00 O ATOM 0 H SER A 96 -8.499 24.030 5.359 1.00 0.00 H new ATOM 0 HA SER A 96 -5.923 24.190 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.308 23.154 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.764 24.641 1.936 1.00 0.00 H new ATOM 0 HG SER A 96 -6.725 22.770 1.034 1.00 0.00 H new ATOM 1461 N SER A 97 -6.405 26.543 4.689 1.00 0.00 N ATOM 1462 CA SER A 97 -6.573 27.974 4.878 1.00 0.00 C ATOM 1463 C SER A 97 -5.380 28.724 4.284 1.00 0.00 C ATOM 1464 O SER A 97 -4.230 28.374 4.545 1.00 0.00 O ATOM 1465 CB SER A 97 -6.733 28.319 6.360 1.00 0.00 C ATOM 1466 OG SER A 97 -7.857 29.162 6.594 1.00 0.00 O ATOM 0 H SER A 97 -5.547 26.158 5.085 1.00 0.00 H new ATOM 0 HA SER A 97 -7.482 28.283 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.843 27.400 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.829 28.813 6.717 1.00 0.00 H new ATOM 0 HG SER A 97 -7.925 29.358 7.552 1.00 0.00 H new ATOM 1472 N GLY A 98 -5.694 29.742 3.496 1.00 0.00 N ATOM 1473 CA GLY A 98 -4.661 30.545 2.863 1.00 0.00 C ATOM 1474 C GLY A 98 -5.097 32.007 2.748 1.00 0.00 C ATOM 1475 O GLY A 98 -6.258 32.333 2.991 1.00 0.00 O ATOM 0 H GLY A 98 -6.649 30.029 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.740 30.481 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.443 30.148 1.872 1.00 0.00 H new TER 1479 GLY A 98