USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 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 -161:sc= -9.19! (180deg=-10.1!) USER MOD Set 1.2: A 57 TYR OH : rot -7:sc= -1.08 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-1.2) USER MOD Set 3.1: A 26 SER OG : rot -21:sc= -1.11! USER MOD Set 3.2: A 77 SER OG : rot -43:sc= 0.257 USER MOD Set 4.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 88 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0846 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.673 USER MOD Single : A 3 SER OG : rot 40:sc= 0.425 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= -0.0642 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.00499 (180deg=0.00499) USER MOD Single : A 35 HIS : no HD1:sc= -0.335 X(o=-0.33,f=-0.019) USER MOD Single : A 43 CYS SG : rot -160:sc= -2.17 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.017 USER MOD Single : A 48 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 176:sc= -1.56 (180deg=-1.6) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -151:sc= -1.31 (180deg=-3.7!) 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 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : A 83 SER OG : rot 50:sc= -0.243 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= 0.0201 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 24.212 10.844 -12.570 1.00 0.00 N ATOM 2 CA GLY A 1 24.777 10.259 -11.366 1.00 0.00 C ATOM 3 C GLY A 1 24.366 8.792 -11.223 1.00 0.00 C ATOM 4 O GLY A 1 23.982 8.154 -12.202 1.00 0.00 O ATOM 0 H1 GLY A 1 24.974 11.251 -13.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.719 10.108 -13.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.538 11.592 -12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.864 10.334 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.443 10.820 -10.493 1.00 0.00 H new ATOM 8 N SER A 2 24.459 8.301 -9.997 1.00 0.00 N ATOM 9 CA SER A 2 24.102 6.921 -9.714 1.00 0.00 C ATOM 10 C SER A 2 22.826 6.874 -8.871 1.00 0.00 C ATOM 11 O SER A 2 22.784 7.422 -7.770 1.00 0.00 O ATOM 12 CB SER A 2 25.240 6.193 -8.996 1.00 0.00 C ATOM 13 OG SER A 2 25.406 6.651 -7.657 1.00 0.00 O ATOM 0 H SER A 2 24.777 8.834 -9.187 1.00 0.00 H new ATOM 0 HA SER A 2 23.923 6.413 -10.661 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.038 5.122 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.169 6.340 -9.547 1.00 0.00 H new ATOM 0 HG SER A 2 24.590 7.108 -7.364 1.00 0.00 H new ATOM 19 N SER A 3 21.817 6.213 -9.419 1.00 0.00 N ATOM 20 CA SER A 3 20.543 6.087 -8.730 1.00 0.00 C ATOM 21 C SER A 3 20.113 7.445 -8.173 1.00 0.00 C ATOM 22 O SER A 3 20.372 7.753 -7.010 1.00 0.00 O ATOM 23 CB SER A 3 20.625 5.053 -7.606 1.00 0.00 C ATOM 24 OG SER A 3 21.711 5.312 -6.720 1.00 0.00 O ATOM 0 H SER A 3 21.855 5.759 -10.332 1.00 0.00 H new ATOM 0 HA SER A 3 19.798 5.744 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.691 5.053 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.738 4.058 -8.036 1.00 0.00 H new ATOM 0 HG SER A 3 21.787 6.277 -6.569 1.00 0.00 H new ATOM 30 N GLY A 4 19.464 8.222 -9.028 1.00 0.00 N ATOM 31 CA GLY A 4 18.995 9.540 -8.635 1.00 0.00 C ATOM 32 C GLY A 4 17.521 9.728 -8.997 1.00 0.00 C ATOM 33 O GLY A 4 16.892 8.824 -9.544 1.00 0.00 O ATOM 0 H GLY A 4 19.252 7.964 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.129 9.672 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.595 10.305 -9.128 1.00 0.00 H new ATOM 37 N SER A 5 17.012 10.909 -8.677 1.00 0.00 N ATOM 38 CA SER A 5 15.623 11.228 -8.962 1.00 0.00 C ATOM 39 C SER A 5 15.361 11.126 -10.466 1.00 0.00 C ATOM 40 O SER A 5 15.891 11.916 -11.246 1.00 0.00 O ATOM 41 CB SER A 5 15.263 12.625 -8.453 1.00 0.00 C ATOM 42 OG SER A 5 14.361 12.576 -7.351 1.00 0.00 O ATOM 0 H SER A 5 17.537 11.657 -8.223 1.00 0.00 H new ATOM 0 HA SER A 5 14.992 10.508 -8.440 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.172 13.147 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.815 13.202 -9.263 1.00 0.00 H new ATOM 0 HG SER A 5 14.157 13.487 -7.054 1.00 0.00 H new ATOM 48 N SER A 6 14.544 10.148 -10.827 1.00 0.00 N ATOM 49 CA SER A 6 14.205 9.934 -12.224 1.00 0.00 C ATOM 50 C SER A 6 13.668 11.228 -12.837 1.00 0.00 C ATOM 51 O SER A 6 12.936 11.971 -12.184 1.00 0.00 O ATOM 52 CB SER A 6 13.179 8.809 -12.375 1.00 0.00 C ATOM 53 OG SER A 6 12.066 8.981 -11.502 1.00 0.00 O ATOM 0 H SER A 6 14.107 9.495 -10.177 1.00 0.00 H new ATOM 0 HA SER A 6 15.110 9.638 -12.754 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.829 8.774 -13.407 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.657 7.852 -12.168 1.00 0.00 H new ATOM 0 HG SER A 6 11.433 8.244 -11.630 1.00 0.00 H new ATOM 59 N GLY A 7 14.052 11.459 -14.084 1.00 0.00 N ATOM 60 CA GLY A 7 13.618 12.651 -14.792 1.00 0.00 C ATOM 61 C GLY A 7 12.114 12.608 -15.069 1.00 0.00 C ATOM 62 O GLY A 7 11.388 11.828 -14.453 1.00 0.00 O ATOM 0 H GLY A 7 14.659 10.841 -14.622 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.857 13.536 -14.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.162 12.738 -15.732 1.00 0.00 H new ATOM 66 N GLY A 8 11.690 13.455 -15.995 1.00 0.00 N ATOM 67 CA GLY A 8 10.285 13.522 -16.361 1.00 0.00 C ATOM 68 C GLY A 8 9.508 14.412 -15.388 1.00 0.00 C ATOM 69 O GLY A 8 10.096 15.235 -14.689 1.00 0.00 O ATOM 0 H GLY A 8 12.294 14.101 -16.503 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.187 13.912 -17.374 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.858 12.519 -16.363 1.00 0.00 H new ATOM 73 N PRO A 9 8.163 14.210 -15.375 1.00 0.00 N ATOM 74 CA PRO A 9 7.299 14.984 -14.500 1.00 0.00 C ATOM 75 C PRO A 9 7.419 14.509 -13.051 1.00 0.00 C ATOM 76 O PRO A 9 7.754 13.352 -12.799 1.00 0.00 O ATOM 77 CB PRO A 9 5.901 14.805 -15.070 1.00 0.00 C ATOM 78 CG PRO A 9 5.967 13.573 -15.957 1.00 0.00 C ATOM 79 CD PRO A 9 7.432 13.244 -16.190 1.00 0.00 C ATOM 0 HA PRO A 9 7.570 16.039 -14.467 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.168 14.674 -14.274 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.597 15.682 -15.642 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.458 12.734 -15.483 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.462 13.758 -16.905 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.660 12.221 -15.892 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.696 13.335 -17.244 1.00 0.00 H new ATOM 87 N PRO A 10 7.132 15.449 -12.112 1.00 0.00 N ATOM 88 CA PRO A 10 7.204 15.139 -10.694 1.00 0.00 C ATOM 89 C PRO A 10 6.010 14.288 -10.257 1.00 0.00 C ATOM 90 O PRO A 10 5.175 14.740 -9.476 1.00 0.00 O ATOM 91 CB PRO A 10 7.259 16.489 -9.998 1.00 0.00 C ATOM 92 CG PRO A 10 6.748 17.501 -11.010 1.00 0.00 C ATOM 93 CD PRO A 10 6.732 16.829 -12.373 1.00 0.00 C ATOM 0 HA PRO A 10 8.077 14.539 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.643 16.490 -9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.276 16.727 -9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.748 17.840 -10.740 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.389 18.382 -11.026 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.741 16.875 -12.825 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.421 17.317 -13.063 1.00 0.00 H new ATOM 101 N THR A 11 5.967 13.072 -10.782 1.00 0.00 N ATOM 102 CA THR A 11 4.888 12.154 -10.456 1.00 0.00 C ATOM 103 C THR A 11 3.532 12.804 -10.735 1.00 0.00 C ATOM 104 O THR A 11 3.446 14.019 -10.907 1.00 0.00 O ATOM 105 CB THR A 11 5.064 11.717 -9.000 1.00 0.00 C ATOM 106 OG1 THR A 11 4.168 10.618 -8.858 1.00 0.00 O ATOM 107 CG2 THR A 11 4.538 12.757 -8.009 1.00 0.00 C ATOM 0 H THR A 11 6.661 12.701 -11.431 1.00 0.00 H new ATOM 0 HA THR A 11 4.922 11.264 -11.085 1.00 0.00 H new ATOM 0 HB THR A 11 6.119 11.529 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.218 10.271 -7.943 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.687 12.397 -6.991 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.077 13.695 -8.145 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.475 12.921 -8.184 1.00 0.00 H new ATOM 115 N ARG A 12 2.507 11.966 -10.773 1.00 0.00 N ATOM 116 CA ARG A 12 1.159 12.444 -11.029 1.00 0.00 C ATOM 117 C ARG A 12 0.131 11.454 -10.477 1.00 0.00 C ATOM 118 O ARG A 12 -0.038 10.363 -11.019 1.00 0.00 O ATOM 119 CB ARG A 12 0.918 12.636 -12.527 1.00 0.00 C ATOM 120 CG ARG A 12 0.966 14.118 -12.905 1.00 0.00 C ATOM 121 CD ARG A 12 -0.443 14.709 -12.989 1.00 0.00 C ATOM 122 NE ARG A 12 -0.367 16.172 -13.196 1.00 0.00 N ATOM 123 CZ ARG A 12 -1.436 16.967 -13.338 1.00 0.00 C ATOM 124 NH1 ARG A 12 -2.670 16.445 -13.296 1.00 0.00 N ATOM 125 NH2 ARG A 12 -1.272 18.284 -13.522 1.00 0.00 N ATOM 0 H ARG A 12 2.583 10.959 -10.631 1.00 0.00 H new ATOM 0 HA ARG A 12 1.048 13.406 -10.528 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.671 12.088 -13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.051 12.219 -12.799 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.551 14.666 -12.166 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.471 14.236 -13.863 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.992 14.246 -13.809 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.993 14.491 -12.073 1.00 0.00 H new ATOM 0 HE ARG A 12 0.557 16.602 -13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.795 15.442 -13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.484 17.050 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.333 18.681 -13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.086 18.889 -13.630 1.00 0.00 H new ATOM 139 N ARG A 13 -0.529 11.871 -9.406 1.00 0.00 N ATOM 140 CA ARG A 13 -1.536 11.034 -8.775 1.00 0.00 C ATOM 141 C ARG A 13 -2.876 11.770 -8.715 1.00 0.00 C ATOM 142 O ARG A 13 -2.976 12.921 -9.139 1.00 0.00 O ATOM 143 CB ARG A 13 -1.115 10.640 -7.358 1.00 0.00 C ATOM 144 CG ARG A 13 -1.020 11.870 -6.452 1.00 0.00 C ATOM 145 CD ARG A 13 0.433 12.162 -6.074 1.00 0.00 C ATOM 146 NE ARG A 13 0.506 12.646 -4.678 1.00 0.00 N ATOM 147 CZ ARG A 13 1.645 12.985 -4.058 1.00 0.00 C ATOM 148 NH1 ARG A 13 2.813 12.894 -4.707 1.00 0.00 N ATOM 149 NH2 ARG A 13 1.615 13.414 -2.789 1.00 0.00 N ATOM 0 H ARG A 13 -0.386 12.777 -8.959 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.640 10.130 -9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.835 9.934 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.151 10.132 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.448 12.734 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.609 11.707 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.035 11.260 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.850 12.910 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.365 12.727 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.836 12.567 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.680 13.152 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.725 13.483 -2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.482 13.672 -2.317 1.00 0.00 H new ATOM 163 N SER A 14 -3.873 11.076 -8.186 1.00 0.00 N ATOM 164 CA SER A 14 -5.202 11.649 -8.065 1.00 0.00 C ATOM 165 C SER A 14 -5.465 12.062 -6.616 1.00 0.00 C ATOM 166 O SER A 14 -5.186 13.196 -6.229 1.00 0.00 O ATOM 167 CB SER A 14 -6.272 10.663 -8.538 1.00 0.00 C ATOM 168 OG SER A 14 -6.515 10.770 -9.938 1.00 0.00 O ATOM 0 H SER A 14 -3.787 10.122 -7.836 1.00 0.00 H new ATOM 0 HA SER A 14 -5.252 12.532 -8.702 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.958 9.646 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.199 10.845 -7.994 1.00 0.00 H new ATOM 0 HG SER A 14 -7.203 10.123 -10.201 1.00 0.00 H new ATOM 174 N ASP A 15 -5.998 11.119 -5.853 1.00 0.00 N ATOM 175 CA ASP A 15 -6.302 11.371 -4.454 1.00 0.00 C ATOM 176 C ASP A 15 -6.670 10.052 -3.772 1.00 0.00 C ATOM 177 O ASP A 15 -6.026 9.648 -2.805 1.00 0.00 O ATOM 178 CB ASP A 15 -7.489 12.325 -4.311 1.00 0.00 C ATOM 179 CG ASP A 15 -8.075 12.421 -2.901 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.539 13.236 -2.118 1.00 0.00 O ATOM 181 OD2 ASP A 15 -9.045 11.678 -2.638 1.00 0.00 O ATOM 0 H ASP A 15 -6.227 10.179 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.422 11.820 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.176 13.320 -4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.276 12.007 -4.994 1.00 0.00 H new ATOM 186 N PHE A 16 -7.705 9.417 -4.302 1.00 0.00 N ATOM 187 CA PHE A 16 -8.167 8.153 -3.756 1.00 0.00 C ATOM 188 C PHE A 16 -6.988 7.250 -3.389 1.00 0.00 C ATOM 189 O PHE A 16 -6.295 6.740 -4.268 1.00 0.00 O ATOM 190 CB PHE A 16 -8.996 7.471 -4.846 1.00 0.00 C ATOM 191 CG PHE A 16 -10.079 8.364 -5.454 1.00 0.00 C ATOM 192 CD1 PHE A 16 -11.192 8.670 -4.735 1.00 0.00 C ATOM 193 CD2 PHE A 16 -9.929 8.852 -6.715 1.00 0.00 C ATOM 194 CE1 PHE A 16 -12.197 9.499 -5.300 1.00 0.00 C ATOM 195 CE2 PHE A 16 -10.934 9.681 -7.280 1.00 0.00 C ATOM 196 CZ PHE A 16 -12.046 9.987 -6.561 1.00 0.00 C ATOM 0 H PHE A 16 -8.237 9.755 -5.104 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.750 8.330 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.328 7.136 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.466 6.581 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.312 8.282 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.045 8.609 -7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.081 9.742 -4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.815 10.068 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.810 10.618 -6.991 1.00 0.00 H new ATOM 206 N ARG A 17 -6.795 7.081 -2.089 1.00 0.00 N ATOM 207 CA ARG A 17 -5.711 6.249 -1.595 1.00 0.00 C ATOM 208 C ARG A 17 -6.201 5.365 -0.446 1.00 0.00 C ATOM 209 O ARG A 17 -7.253 5.625 0.136 1.00 0.00 O ATOM 210 CB ARG A 17 -4.538 7.103 -1.109 1.00 0.00 C ATOM 211 CG ARG A 17 -4.883 7.811 0.203 1.00 0.00 C ATOM 212 CD ARG A 17 -3.850 8.890 0.531 1.00 0.00 C ATOM 213 NE ARG A 17 -3.905 9.969 -0.481 1.00 0.00 N ATOM 214 CZ ARG A 17 -4.869 10.898 -0.536 1.00 0.00 C ATOM 215 NH1 ARG A 17 -5.864 10.886 0.362 1.00 0.00 N ATOM 216 NH2 ARG A 17 -4.838 11.839 -1.490 1.00 0.00 N ATOM 0 H ARG A 17 -7.371 7.506 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.372 5.623 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.659 6.474 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.282 7.841 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.873 8.261 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.924 7.083 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.043 9.300 1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.851 8.454 0.555 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.163 10.008 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.888 10.170 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.598 11.593 0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.081 11.848 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.572 12.547 -1.533 1.00 0.00 H new ATOM 230 N VAL A 18 -5.415 4.340 -0.154 1.00 0.00 N ATOM 231 CA VAL A 18 -5.755 3.417 0.915 1.00 0.00 C ATOM 232 C VAL A 18 -4.637 3.418 1.960 1.00 0.00 C ATOM 233 O VAL A 18 -3.473 3.201 1.628 1.00 0.00 O ATOM 234 CB VAL A 18 -6.033 2.027 0.338 1.00 0.00 C ATOM 235 CG1 VAL A 18 -7.261 2.047 -0.574 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.808 1.486 -0.402 1.00 0.00 C ATOM 0 H VAL A 18 -4.543 4.128 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.669 3.735 1.417 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.245 1.355 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.436 1.047 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.132 2.369 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.091 2.739 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.032 0.497 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.551 2.159 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.967 1.416 0.288 1.00 0.00 H new ATOM 246 N LEU A 19 -5.031 3.666 3.201 1.00 0.00 N ATOM 247 CA LEU A 19 -4.076 3.698 4.296 1.00 0.00 C ATOM 248 C LEU A 19 -3.795 2.269 4.764 1.00 0.00 C ATOM 249 O LEU A 19 -4.703 1.568 5.209 1.00 0.00 O ATOM 250 CB LEU A 19 -4.570 4.624 5.409 1.00 0.00 C ATOM 251 CG LEU A 19 -4.671 6.109 5.051 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.623 6.980 6.308 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.594 6.503 4.039 1.00 0.00 C ATOM 0 H LEU A 19 -5.998 3.846 3.472 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.126 4.116 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.553 4.280 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.901 4.521 6.264 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.637 6.282 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.697 8.030 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.455 6.721 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.683 6.810 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.688 7.563 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.608 6.312 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.717 5.915 3.129 1.00 0.00 H new ATOM 265 N VAL A 20 -2.534 1.879 4.648 1.00 0.00 N ATOM 266 CA VAL A 20 -2.122 0.547 5.054 1.00 0.00 C ATOM 267 C VAL A 20 -1.317 0.639 6.352 1.00 0.00 C ATOM 268 O VAL A 20 -0.443 1.495 6.484 1.00 0.00 O ATOM 269 CB VAL A 20 -1.351 -0.131 3.920 1.00 0.00 C ATOM 270 CG1 VAL A 20 -0.549 -1.326 4.439 1.00 0.00 C ATOM 271 CG2 VAL A 20 -2.294 -0.553 2.791 1.00 0.00 C ATOM 0 H VAL A 20 -1.784 2.463 4.278 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.993 -0.076 5.255 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.646 0.595 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.011 -1.789 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.163 -0.987 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.227 -2.054 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.720 -1.032 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.034 -1.254 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.800 0.326 2.392 1.00 0.00 H new ATOM 281 N SER A 21 -1.641 -0.252 7.277 1.00 0.00 N ATOM 282 CA SER A 21 -0.959 -0.282 8.559 1.00 0.00 C ATOM 283 C SER A 21 -0.745 -1.730 9.005 1.00 0.00 C ATOM 284 O SER A 21 -1.582 -2.593 8.745 1.00 0.00 O ATOM 285 CB SER A 21 -1.747 0.489 9.620 1.00 0.00 C ATOM 286 OG SER A 21 -3.030 -0.086 9.855 1.00 0.00 O ATOM 0 H SER A 21 -2.367 -0.959 7.164 1.00 0.00 H new ATOM 0 HA SER A 21 0.011 0.202 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.181 0.505 10.551 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.867 1.525 9.301 1.00 0.00 H new ATOM 0 HG SER A 21 -3.501 0.434 10.539 1.00 0.00 H new ATOM 292 N GLY A 22 0.380 -1.951 9.669 1.00 0.00 N ATOM 293 CA GLY A 22 0.715 -3.279 10.153 1.00 0.00 C ATOM 294 C GLY A 22 1.662 -3.993 9.186 1.00 0.00 C ATOM 295 O GLY A 22 1.643 -5.218 9.084 1.00 0.00 O ATOM 0 H GLY A 22 1.071 -1.232 9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.181 -3.205 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.195 -3.866 10.275 1.00 0.00 H new ATOM 299 N LEU A 23 2.468 -3.195 8.501 1.00 0.00 N ATOM 300 CA LEU A 23 3.421 -3.735 7.546 1.00 0.00 C ATOM 301 C LEU A 23 4.623 -4.309 8.300 1.00 0.00 C ATOM 302 O LEU A 23 4.885 -3.928 9.440 1.00 0.00 O ATOM 303 CB LEU A 23 3.795 -2.677 6.506 1.00 0.00 C ATOM 304 CG LEU A 23 2.829 -2.520 5.331 1.00 0.00 C ATOM 305 CD1 LEU A 23 2.908 -1.111 4.739 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.070 -3.600 4.274 1.00 0.00 C ATOM 0 H LEU A 23 2.481 -2.179 8.588 1.00 0.00 H new ATOM 0 HA LEU A 23 2.975 -4.556 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.881 -1.715 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.781 -2.919 6.110 1.00 0.00 H new ATOM 0 HG LEU A 23 1.814 -2.656 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.211 -1.027 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.648 -0.380 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.921 -0.921 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.370 -3.465 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.091 -3.521 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.922 -4.584 4.719 1.00 0.00 H new ATOM 318 N PRO A 24 5.339 -5.240 7.615 1.00 0.00 N ATOM 319 CA PRO A 24 6.507 -5.870 8.208 1.00 0.00 C ATOM 320 C PRO A 24 7.699 -4.911 8.221 1.00 0.00 C ATOM 321 O PRO A 24 7.630 -3.820 7.658 1.00 0.00 O ATOM 322 CB PRO A 24 6.753 -7.112 7.367 1.00 0.00 C ATOM 323 CG PRO A 24 6.006 -6.887 6.062 1.00 0.00 C ATOM 324 CD PRO A 24 5.058 -5.715 6.264 1.00 0.00 C ATOM 0 HA PRO A 24 6.356 -6.137 9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.818 -7.257 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.391 -8.006 7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.706 -6.677 5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.452 -7.782 5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.232 -4.933 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.018 -6.025 6.161 1.00 0.00 H new ATOM 332 N PRO A 25 8.794 -5.365 8.889 1.00 0.00 N ATOM 333 CA PRO A 25 10.000 -4.560 8.984 1.00 0.00 C ATOM 334 C PRO A 25 10.765 -4.561 7.659 1.00 0.00 C ATOM 335 O PRO A 25 11.593 -3.685 7.416 1.00 0.00 O ATOM 336 CB PRO A 25 10.792 -5.172 10.128 1.00 0.00 C ATOM 337 CG PRO A 25 10.228 -6.569 10.325 1.00 0.00 C ATOM 338 CD PRO A 25 8.912 -6.652 9.569 1.00 0.00 C ATOM 0 HA PRO A 25 9.790 -3.509 9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.855 -5.210 9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.689 -4.578 11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.928 -7.319 9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.073 -6.772 11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.916 -7.477 8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.075 -6.820 10.247 1.00 0.00 H new ATOM 346 N SER A 26 10.460 -5.555 6.837 1.00 0.00 N ATOM 347 CA SER A 26 11.109 -5.681 5.543 1.00 0.00 C ATOM 348 C SER A 26 10.130 -5.307 4.428 1.00 0.00 C ATOM 349 O SER A 26 10.531 -5.128 3.279 1.00 0.00 O ATOM 350 CB SER A 26 11.640 -7.100 5.329 1.00 0.00 C ATOM 351 OG SER A 26 11.999 -7.337 3.971 1.00 0.00 O ATOM 0 H SER A 26 9.772 -6.280 7.042 1.00 0.00 H new ATOM 0 HA SER A 26 11.957 -4.997 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.509 -7.262 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.881 -7.821 5.634 1.00 0.00 H new ATOM 0 HG SER A 26 11.541 -6.691 3.394 1.00 0.00 H new ATOM 357 N GLY A 27 8.865 -5.201 4.806 1.00 0.00 N ATOM 358 CA GLY A 27 7.826 -4.851 3.853 1.00 0.00 C ATOM 359 C GLY A 27 8.241 -3.647 3.006 1.00 0.00 C ATOM 360 O GLY A 27 8.559 -2.586 3.542 1.00 0.00 O ATOM 0 H GLY A 27 8.536 -5.351 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.621 -5.703 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.902 -4.625 4.384 1.00 0.00 H new ATOM 364 N SER A 28 8.225 -3.850 1.697 1.00 0.00 N ATOM 365 CA SER A 28 8.596 -2.794 0.770 1.00 0.00 C ATOM 366 C SER A 28 7.366 -2.328 -0.011 1.00 0.00 C ATOM 367 O SER A 28 6.361 -3.035 -0.074 1.00 0.00 O ATOM 368 CB SER A 28 9.689 -3.264 -0.191 1.00 0.00 C ATOM 369 OG SER A 28 10.740 -3.946 0.488 1.00 0.00 O ATOM 0 H SER A 28 7.961 -4.731 1.256 1.00 0.00 H new ATOM 0 HA SER A 28 8.992 -1.957 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.253 -3.925 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.098 -2.405 -0.723 1.00 0.00 H new ATOM 0 HG SER A 28 11.417 -4.232 -0.160 1.00 0.00 H new ATOM 375 N TRP A 29 7.486 -1.141 -0.588 1.00 0.00 N ATOM 376 CA TRP A 29 6.397 -0.572 -1.363 1.00 0.00 C ATOM 377 C TRP A 29 6.201 -1.437 -2.610 1.00 0.00 C ATOM 378 O TRP A 29 5.072 -1.754 -2.979 1.00 0.00 O ATOM 379 CB TRP A 29 6.666 0.898 -1.691 1.00 0.00 C ATOM 380 CG TRP A 29 7.968 1.135 -2.459 1.00 0.00 C ATOM 381 CD1 TRP A 29 9.126 1.621 -1.990 1.00 0.00 C ATOM 382 CD2 TRP A 29 8.200 0.876 -3.859 1.00 0.00 C ATOM 383 NE1 TRP A 29 10.083 1.693 -2.981 1.00 0.00 N ATOM 384 CE2 TRP A 29 9.502 1.226 -4.154 1.00 0.00 C ATOM 385 CE3 TRP A 29 7.339 0.362 -4.844 1.00 0.00 C ATOM 386 CZ2 TRP A 29 10.059 1.100 -5.433 1.00 0.00 C ATOM 387 CZ3 TRP A 29 7.910 0.243 -6.117 1.00 0.00 C ATOM 388 CH2 TRP A 29 9.219 0.591 -6.430 1.00 0.00 C ATOM 0 H TRP A 29 8.321 -0.558 -0.534 1.00 0.00 H new ATOM 0 HA TRP A 29 5.471 -0.576 -0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.834 1.287 -2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.695 1.468 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.289 1.919 -0.965 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.041 2.027 -2.873 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.317 0.081 -4.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 11.081 1.380 -5.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.290 -0.146 -6.911 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.586 0.469 -7.438 1.00 0.00 H new ATOM 399 N GLN A 30 7.320 -1.794 -3.224 1.00 0.00 N ATOM 400 CA GLN A 30 7.286 -2.616 -4.422 1.00 0.00 C ATOM 401 C GLN A 30 6.295 -3.769 -4.246 1.00 0.00 C ATOM 402 O GLN A 30 5.207 -3.750 -4.819 1.00 0.00 O ATOM 403 CB GLN A 30 8.681 -3.140 -4.767 1.00 0.00 C ATOM 404 CG GLN A 30 9.059 -2.785 -6.207 1.00 0.00 C ATOM 405 CD GLN A 30 8.987 -4.016 -7.112 1.00 0.00 C ATOM 406 OE1 GLN A 30 7.938 -4.603 -7.323 1.00 0.00 O ATOM 407 NE2 GLN A 30 10.157 -4.373 -7.634 1.00 0.00 N ATOM 0 H GLN A 30 8.255 -1.529 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 30 6.950 -1.998 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.413 -2.716 -4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.710 -4.222 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.388 -2.013 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.067 -2.370 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.997 -3.837 -7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.214 -5.182 -8.252 1.00 0.00 H new ATOM 416 N ASP A 31 6.708 -4.746 -3.452 1.00 0.00 N ATOM 417 CA ASP A 31 5.871 -5.905 -3.194 1.00 0.00 C ATOM 418 C ASP A 31 4.472 -5.438 -2.789 1.00 0.00 C ATOM 419 O ASP A 31 3.473 -5.958 -3.284 1.00 0.00 O ATOM 420 CB ASP A 31 6.437 -6.750 -2.050 1.00 0.00 C ATOM 421 CG ASP A 31 7.061 -8.080 -2.476 1.00 0.00 C ATOM 422 OD1 ASP A 31 7.043 -8.350 -3.696 1.00 0.00 O ATOM 423 OD2 ASP A 31 7.542 -8.797 -1.571 1.00 0.00 O ATOM 0 H ASP A 31 7.612 -4.759 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 31 5.837 -6.505 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.191 -6.164 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.637 -6.953 -1.338 1.00 0.00 H new ATOM 428 N LEU A 32 4.444 -4.462 -1.894 1.00 0.00 N ATOM 429 CA LEU A 32 3.183 -3.919 -1.417 1.00 0.00 C ATOM 430 C LEU A 32 2.291 -3.585 -2.615 1.00 0.00 C ATOM 431 O LEU A 32 1.167 -4.075 -2.711 1.00 0.00 O ATOM 432 CB LEU A 32 3.430 -2.732 -0.484 1.00 0.00 C ATOM 433 CG LEU A 32 2.183 -1.992 0.004 1.00 0.00 C ATOM 434 CD1 LEU A 32 2.487 -1.174 1.261 1.00 0.00 C ATOM 435 CD2 LEU A 32 1.585 -1.130 -1.110 1.00 0.00 C ATOM 0 H LEU A 32 5.275 -4.033 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 32 2.651 -4.659 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.981 -3.088 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.074 -2.019 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 32 1.431 -2.733 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.584 -0.658 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.831 -1.839 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.263 -0.442 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.700 -0.615 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.321 -0.396 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.307 -1.764 -1.952 1.00 0.00 H new ATOM 447 N LYS A 33 2.827 -2.754 -3.497 1.00 0.00 N ATOM 448 CA LYS A 33 2.093 -2.350 -4.684 1.00 0.00 C ATOM 449 C LYS A 33 1.571 -3.594 -5.405 1.00 0.00 C ATOM 450 O LYS A 33 0.363 -3.764 -5.562 1.00 0.00 O ATOM 451 CB LYS A 33 2.957 -1.445 -5.566 1.00 0.00 C ATOM 452 CG LYS A 33 2.093 -0.635 -6.534 1.00 0.00 C ATOM 453 CD LYS A 33 2.899 0.497 -7.173 1.00 0.00 C ATOM 454 CE LYS A 33 3.446 0.077 -8.539 1.00 0.00 C ATOM 455 NZ LYS A 33 3.548 1.248 -9.438 1.00 0.00 N ATOM 0 H LYS A 33 3.760 -2.350 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 33 1.224 -1.753 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.539 -0.769 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.668 -2.051 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.700 -1.290 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.236 -0.221 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.268 1.379 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.724 0.776 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.427 -0.383 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.793 -0.674 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.905 0.943 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.609 1.680 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.202 1.945 -9.028 1.00 0.00 H new ATOM 469 N ASP A 34 2.508 -4.432 -5.825 1.00 0.00 N ATOM 470 CA ASP A 34 2.158 -5.656 -6.526 1.00 0.00 C ATOM 471 C ASP A 34 0.939 -6.292 -5.854 1.00 0.00 C ATOM 472 O ASP A 34 0.154 -6.978 -6.506 1.00 0.00 O ATOM 473 CB ASP A 34 3.306 -6.666 -6.477 1.00 0.00 C ATOM 474 CG ASP A 34 4.592 -6.217 -7.173 1.00 0.00 C ATOM 475 OD1 ASP A 34 4.474 -5.401 -8.113 1.00 0.00 O ATOM 476 OD2 ASP A 34 5.665 -6.698 -6.749 1.00 0.00 O ATOM 0 H ASP A 34 3.509 -4.287 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 34 1.946 -5.402 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.533 -6.885 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.970 -7.597 -6.933 1.00 0.00 H new ATOM 481 N HIS A 35 0.820 -6.043 -4.558 1.00 0.00 N ATOM 482 CA HIS A 35 -0.289 -6.583 -3.790 1.00 0.00 C ATOM 483 C HIS A 35 -1.494 -5.647 -3.902 1.00 0.00 C ATOM 484 O HIS A 35 -2.564 -6.057 -4.351 1.00 0.00 O ATOM 485 CB HIS A 35 0.128 -6.842 -2.341 1.00 0.00 C ATOM 486 CG HIS A 35 -0.898 -7.599 -1.533 1.00 0.00 C ATOM 487 ND1 HIS A 35 -0.625 -8.808 -0.919 1.00 0.00 N ATOM 488 CD2 HIS A 35 -2.198 -7.305 -1.244 1.00 0.00 C ATOM 489 CE1 HIS A 35 -1.719 -9.216 -0.292 1.00 0.00 C ATOM 490 NE2 HIS A 35 -2.693 -8.283 -0.495 1.00 0.00 N ATOM 0 H HIS A 35 1.474 -5.474 -4.020 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.584 -7.549 -4.200 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.063 -7.402 -2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.326 -5.887 -1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.734 -6.426 -1.569 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.821 -10.127 0.279 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.645 -8.329 -0.131 1.00 0.00 H new ATOM 498 N MET A 36 -1.281 -4.407 -3.487 1.00 0.00 N ATOM 499 CA MET A 36 -2.336 -3.410 -3.535 1.00 0.00 C ATOM 500 C MET A 36 -2.948 -3.326 -4.935 1.00 0.00 C ATOM 501 O MET A 36 -4.161 -3.181 -5.078 1.00 0.00 O ATOM 502 CB MET A 36 -1.767 -2.044 -3.144 1.00 0.00 C ATOM 503 CG MET A 36 -1.449 -1.991 -1.648 1.00 0.00 C ATOM 504 SD MET A 36 -2.923 -2.323 -0.698 1.00 0.00 S ATOM 505 CE MET A 36 -4.148 -1.567 -1.753 1.00 0.00 C ATOM 0 H MET A 36 -0.393 -4.070 -3.116 1.00 0.00 H new ATOM 0 HA MET A 36 -3.118 -3.702 -2.834 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.863 -1.844 -3.719 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.484 -1.262 -3.395 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.678 -2.722 -1.406 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.051 -1.010 -1.387 1.00 0.00 H new ATOM 0 HE1 MET A 36 -5.056 -1.379 -1.180 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.762 -0.624 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.375 -2.235 -2.583 1.00 0.00 H new ATOM 515 N ARG A 37 -2.080 -3.420 -5.932 1.00 0.00 N ATOM 516 CA ARG A 37 -2.520 -3.357 -7.315 1.00 0.00 C ATOM 517 C ARG A 37 -3.814 -4.153 -7.498 1.00 0.00 C ATOM 518 O ARG A 37 -4.606 -3.860 -8.392 1.00 0.00 O ATOM 519 CB ARG A 37 -1.451 -3.911 -8.259 1.00 0.00 C ATOM 520 CG ARG A 37 -0.115 -3.195 -8.054 1.00 0.00 C ATOM 521 CD ARG A 37 0.316 -2.463 -9.328 1.00 0.00 C ATOM 522 NE ARG A 37 0.514 -3.435 -10.427 1.00 0.00 N ATOM 523 CZ ARG A 37 -0.387 -3.673 -11.390 1.00 0.00 C ATOM 524 NH1 ARG A 37 -1.553 -3.013 -11.395 1.00 0.00 N ATOM 525 NH2 ARG A 37 -0.122 -4.572 -12.347 1.00 0.00 N ATOM 0 H ARG A 37 -1.074 -3.539 -5.809 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.697 -2.309 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.325 -4.980 -8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.776 -3.792 -9.292 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.202 -2.483 -7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.649 -3.918 -7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.441 -1.731 -9.611 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.240 -1.913 -9.147 1.00 0.00 H new ATOM 0 HE ARG A 37 1.391 -3.956 -10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.755 -2.329 -10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.239 -3.194 -12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.765 -5.075 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.808 -4.753 -13.080 1.00 0.00 H new ATOM 539 N GLU A 38 -3.988 -5.144 -6.636 1.00 0.00 N ATOM 540 CA GLU A 38 -5.173 -5.984 -6.691 1.00 0.00 C ATOM 541 C GLU A 38 -6.372 -5.179 -7.196 1.00 0.00 C ATOM 542 O GLU A 38 -7.174 -5.680 -7.982 1.00 0.00 O ATOM 543 CB GLU A 38 -5.466 -6.607 -5.325 1.00 0.00 C ATOM 544 CG GLU A 38 -5.098 -8.092 -5.309 1.00 0.00 C ATOM 545 CD GLU A 38 -5.747 -8.830 -6.482 1.00 0.00 C ATOM 546 OE1 GLU A 38 -6.951 -9.144 -6.360 1.00 0.00 O ATOM 547 OE2 GLU A 38 -5.024 -9.065 -7.475 1.00 0.00 O ATOM 0 H GLU A 38 -3.329 -5.384 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.986 -6.797 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.904 -6.081 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.523 -6.488 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.015 -8.203 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.421 -8.540 -4.369 1.00 0.00 H new ATOM 554 N ALA A 39 -6.456 -3.944 -6.723 1.00 0.00 N ATOM 555 CA ALA A 39 -7.544 -3.065 -7.116 1.00 0.00 C ATOM 556 C ALA A 39 -7.497 -2.849 -8.630 1.00 0.00 C ATOM 557 O ALA A 39 -8.295 -3.426 -9.368 1.00 0.00 O ATOM 558 CB ALA A 39 -7.446 -1.751 -6.337 1.00 0.00 C ATOM 0 H ALA A 39 -5.788 -3.532 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.507 -3.516 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.262 -1.091 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.513 -1.956 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.493 -1.269 -6.555 1.00 0.00 H new ATOM 564 N GLY A 40 -6.555 -2.018 -9.049 1.00 0.00 N ATOM 565 CA GLY A 40 -6.394 -1.719 -10.462 1.00 0.00 C ATOM 566 C GLY A 40 -4.951 -1.318 -10.777 1.00 0.00 C ATOM 567 O GLY A 40 -4.053 -2.158 -10.765 1.00 0.00 O ATOM 0 H GLY A 40 -5.895 -1.542 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.671 -2.590 -11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.070 -0.912 -10.746 1.00 0.00 H new ATOM 571 N ASP A 41 -4.775 -0.034 -11.051 1.00 0.00 N ATOM 572 CA ASP A 41 -3.457 0.489 -11.368 1.00 0.00 C ATOM 573 C ASP A 41 -3.023 1.465 -10.273 1.00 0.00 C ATOM 574 O ASP A 41 -3.777 2.363 -9.901 1.00 0.00 O ATOM 575 CB ASP A 41 -3.470 1.247 -12.698 1.00 0.00 C ATOM 576 CG ASP A 41 -2.104 1.399 -13.369 1.00 0.00 C ATOM 577 OD1 ASP A 41 -1.449 0.353 -13.567 1.00 0.00 O ATOM 578 OD2 ASP A 41 -1.745 2.559 -13.668 1.00 0.00 O ATOM 0 H ASP A 41 -5.523 0.660 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.769 -0.353 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.141 0.732 -13.386 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.887 2.240 -12.529 1.00 0.00 H new ATOM 583 N VAL A 42 -1.808 1.256 -9.786 1.00 0.00 N ATOM 584 CA VAL A 42 -1.264 2.106 -8.741 1.00 0.00 C ATOM 585 C VAL A 42 -0.358 3.166 -9.370 1.00 0.00 C ATOM 586 O VAL A 42 0.612 2.834 -10.050 1.00 0.00 O ATOM 587 CB VAL A 42 -0.547 1.253 -7.692 1.00 0.00 C ATOM 588 CG1 VAL A 42 -0.309 2.049 -6.407 1.00 0.00 C ATOM 589 CG2 VAL A 42 -1.326 -0.032 -7.405 1.00 0.00 C ATOM 0 H VAL A 42 -1.185 0.510 -10.096 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.065 2.631 -8.221 1.00 0.00 H new ATOM 0 HB VAL A 42 0.425 0.972 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.202 1.419 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.306 2.921 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.266 2.374 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.795 -0.620 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.319 0.220 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.420 -0.613 -8.322 1.00 0.00 H new ATOM 599 N CYS A 43 -0.706 4.420 -9.122 1.00 0.00 N ATOM 600 CA CYS A 43 0.063 5.530 -9.656 1.00 0.00 C ATOM 601 C CYS A 43 1.180 5.862 -8.665 1.00 0.00 C ATOM 602 O CYS A 43 2.263 6.289 -9.063 1.00 0.00 O ATOM 603 CB CYS A 43 -0.821 6.744 -9.947 1.00 0.00 C ATOM 604 SG CYS A 43 -1.359 7.517 -8.377 1.00 0.00 S ATOM 0 H CYS A 43 -1.511 4.692 -8.558 1.00 0.00 H new ATOM 0 HA CYS A 43 0.500 5.245 -10.613 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.272 7.468 -10.549 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.691 6.440 -10.529 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.410 8.252 -8.593 1.00 0.00 H new ATOM 610 N TYR A 44 0.878 5.654 -7.391 1.00 0.00 N ATOM 611 CA TYR A 44 1.843 5.925 -6.340 1.00 0.00 C ATOM 612 C TYR A 44 1.821 4.824 -5.277 1.00 0.00 C ATOM 613 O TYR A 44 0.764 4.277 -4.967 1.00 0.00 O ATOM 614 CB TYR A 44 1.408 7.245 -5.699 1.00 0.00 C ATOM 615 CG TYR A 44 2.332 7.727 -4.579 1.00 0.00 C ATOM 616 CD1 TYR A 44 3.658 8.002 -4.848 1.00 0.00 C ATOM 617 CD2 TYR A 44 1.840 7.886 -3.299 1.00 0.00 C ATOM 618 CE1 TYR A 44 4.527 8.456 -3.794 1.00 0.00 C ATOM 619 CE2 TYR A 44 2.710 8.340 -2.245 1.00 0.00 C ATOM 620 CZ TYR A 44 4.010 8.603 -2.544 1.00 0.00 C ATOM 621 OH TYR A 44 4.832 9.031 -1.549 1.00 0.00 O ATOM 0 H TYR A 44 -0.021 5.301 -7.064 1.00 0.00 H new ATOM 0 HA TYR A 44 2.853 5.971 -6.748 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.358 8.013 -6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.400 7.129 -5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.043 7.877 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.803 7.670 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.566 8.675 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.338 8.469 -1.239 1.00 0.00 H new ATOM 0 HH TYR A 44 4.328 9.091 -0.711 1.00 0.00 H new ATOM 631 N ALA A 45 3.000 4.533 -4.748 1.00 0.00 N ATOM 632 CA ALA A 45 3.129 3.507 -3.727 1.00 0.00 C ATOM 633 C ALA A 45 4.310 3.846 -2.816 1.00 0.00 C ATOM 634 O ALA A 45 5.461 3.820 -3.250 1.00 0.00 O ATOM 635 CB ALA A 45 3.281 2.138 -4.394 1.00 0.00 C ATOM 0 H ALA A 45 3.875 4.990 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 45 2.234 3.469 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.378 1.369 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.403 1.932 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.171 2.137 -5.024 1.00 0.00 H new ATOM 641 N ASP A 46 3.985 4.157 -1.570 1.00 0.00 N ATOM 642 CA ASP A 46 5.005 4.501 -0.594 1.00 0.00 C ATOM 643 C ASP A 46 4.747 3.728 0.701 1.00 0.00 C ATOM 644 O ASP A 46 3.654 3.201 0.907 1.00 0.00 O ATOM 645 CB ASP A 46 4.974 5.995 -0.268 1.00 0.00 C ATOM 646 CG ASP A 46 6.146 6.497 0.577 1.00 0.00 C ATOM 647 OD1 ASP A 46 7.286 6.414 0.071 1.00 0.00 O ATOM 648 OD2 ASP A 46 5.876 6.952 1.709 1.00 0.00 O ATOM 0 H ASP A 46 3.029 4.178 -1.214 1.00 0.00 H new ATOM 0 HA ASP A 46 5.976 4.245 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.954 6.555 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.045 6.218 0.257 1.00 0.00 H new ATOM 653 N VAL A 47 5.770 3.686 1.542 1.00 0.00 N ATOM 654 CA VAL A 47 5.667 2.987 2.811 1.00 0.00 C ATOM 655 C VAL A 47 6.416 3.777 3.886 1.00 0.00 C ATOM 656 O VAL A 47 7.439 4.400 3.604 1.00 0.00 O ATOM 657 CB VAL A 47 6.176 1.552 2.661 1.00 0.00 C ATOM 658 CG1 VAL A 47 6.440 0.918 4.029 1.00 0.00 C ATOM 659 CG2 VAL A 47 5.197 0.705 1.844 1.00 0.00 C ATOM 0 H VAL A 47 6.674 4.125 1.369 1.00 0.00 H new ATOM 0 HA VAL A 47 4.625 2.917 3.125 1.00 0.00 H new ATOM 0 HB VAL A 47 7.121 1.587 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.801 -0.102 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.191 1.501 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.516 0.902 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.583 -0.310 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.230 0.682 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.080 1.140 0.851 1.00 0.00 H new ATOM 669 N GLN A 48 5.878 3.726 5.096 1.00 0.00 N ATOM 670 CA GLN A 48 6.483 4.429 6.214 1.00 0.00 C ATOM 671 C GLN A 48 6.983 3.432 7.261 1.00 0.00 C ATOM 672 O GLN A 48 6.688 2.241 7.179 1.00 0.00 O ATOM 673 CB GLN A 48 5.500 5.426 6.831 1.00 0.00 C ATOM 674 CG GLN A 48 5.358 6.671 5.953 1.00 0.00 C ATOM 675 CD GLN A 48 5.031 7.904 6.799 1.00 0.00 C ATOM 676 OE1 GLN A 48 4.628 7.812 7.947 1.00 0.00 O ATOM 677 NE2 GLN A 48 5.227 9.059 6.170 1.00 0.00 N ATOM 0 H GLN A 48 5.030 3.209 5.326 1.00 0.00 H new ATOM 0 HA GLN A 48 7.338 4.994 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.526 4.952 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.844 5.714 7.824 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.283 6.839 5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.571 6.512 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.566 9.065 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.038 9.939 6.649 1.00 0.00 H new ATOM 686 N LYS A 49 7.730 3.956 8.222 1.00 0.00 N ATOM 687 CA LYS A 49 8.273 3.126 9.284 1.00 0.00 C ATOM 688 C LYS A 49 7.125 2.574 10.132 1.00 0.00 C ATOM 689 O LYS A 49 5.957 2.838 9.849 1.00 0.00 O ATOM 690 CB LYS A 49 9.315 3.903 10.091 1.00 0.00 C ATOM 691 CG LYS A 49 8.651 4.985 10.945 1.00 0.00 C ATOM 692 CD LYS A 49 9.016 6.383 10.440 1.00 0.00 C ATOM 693 CE LYS A 49 8.254 7.461 11.213 1.00 0.00 C ATOM 694 NZ LYS A 49 9.056 8.701 11.300 1.00 0.00 N ATOM 0 H LYS A 49 7.972 4.945 8.287 1.00 0.00 H new ATOM 0 HA LYS A 49 8.801 2.269 8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.869 3.217 10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.037 4.360 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.569 4.858 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.964 4.876 11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.089 6.544 10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.786 6.461 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.305 7.669 10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.020 7.101 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.524 9.422 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.951 8.502 11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.258 9.052 10.342 1.00 0.00 H new ATOM 708 N ASP A 50 7.497 1.818 11.154 1.00 0.00 N ATOM 709 CA ASP A 50 6.513 1.226 12.044 1.00 0.00 C ATOM 710 C ASP A 50 5.800 0.082 11.322 1.00 0.00 C ATOM 711 O ASP A 50 5.831 -1.060 11.778 1.00 0.00 O ATOM 712 CB ASP A 50 5.458 2.253 12.459 1.00 0.00 C ATOM 713 CG ASP A 50 4.929 2.097 13.886 1.00 0.00 C ATOM 714 OD1 ASP A 50 4.937 0.945 14.371 1.00 0.00 O ATOM 715 OD2 ASP A 50 4.528 3.132 14.460 1.00 0.00 O ATOM 0 H ASP A 50 8.466 1.602 11.386 1.00 0.00 H new ATOM 0 HA ASP A 50 7.035 0.866 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.883 3.251 12.352 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.618 2.188 11.767 1.00 0.00 H new ATOM 720 N GLY A 51 5.175 0.427 10.206 1.00 0.00 N ATOM 721 CA GLY A 51 4.455 -0.557 9.416 1.00 0.00 C ATOM 722 C GLY A 51 3.249 0.075 8.718 1.00 0.00 C ATOM 723 O GLY A 51 2.164 -0.505 8.699 1.00 0.00 O ATOM 0 H GLY A 51 5.152 1.375 9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.123 -0.991 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.122 -1.371 10.059 1.00 0.00 H new ATOM 727 N MET A 52 3.479 1.256 8.163 1.00 0.00 N ATOM 728 CA MET A 52 2.424 1.973 7.466 1.00 0.00 C ATOM 729 C MET A 52 2.669 1.977 5.956 1.00 0.00 C ATOM 730 O MET A 52 3.797 1.781 5.506 1.00 0.00 O ATOM 731 CB MET A 52 2.362 3.414 7.978 1.00 0.00 C ATOM 732 CG MET A 52 1.598 3.493 9.301 1.00 0.00 C ATOM 733 SD MET A 52 0.922 5.131 9.518 1.00 0.00 S ATOM 734 CE MET A 52 -0.553 4.738 10.443 1.00 0.00 C ATOM 0 H MET A 52 4.380 1.734 8.182 1.00 0.00 H new ATOM 0 HA MET A 52 1.478 1.468 7.660 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.373 3.799 8.114 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.877 4.047 7.235 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.796 2.755 9.312 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.264 3.252 10.130 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.099 5.655 10.664 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.185 4.073 9.855 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.277 4.246 11.376 1.00 0.00 H new ATOM 744 N GLY A 53 1.595 2.204 5.215 1.00 0.00 N ATOM 745 CA GLY A 53 1.679 2.236 3.765 1.00 0.00 C ATOM 746 C GLY A 53 0.652 3.206 3.178 1.00 0.00 C ATOM 747 O GLY A 53 -0.318 3.567 3.843 1.00 0.00 O ATOM 0 H GLY A 53 0.661 2.368 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.682 2.535 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.510 1.236 3.365 1.00 0.00 H new ATOM 751 N MET A 54 0.899 3.601 1.937 1.00 0.00 N ATOM 752 CA MET A 54 0.008 4.522 1.253 1.00 0.00 C ATOM 753 C MET A 54 0.064 4.315 -0.262 1.00 0.00 C ATOM 754 O MET A 54 1.122 4.457 -0.873 1.00 0.00 O ATOM 755 CB MET A 54 0.406 5.961 1.587 1.00 0.00 C ATOM 756 CG MET A 54 -0.744 6.928 1.301 1.00 0.00 C ATOM 757 SD MET A 54 -0.141 8.342 0.393 1.00 0.00 S ATOM 758 CE MET A 54 -0.835 7.996 -1.215 1.00 0.00 C ATOM 0 H MET A 54 1.704 3.300 1.388 1.00 0.00 H new ATOM 0 HA MET A 54 -1.011 4.330 1.590 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.691 6.029 2.637 1.00 0.00 H new ATOM 0 HB3 MET A 54 1.280 6.246 1.001 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.521 6.422 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.198 7.253 2.237 1.00 0.00 H new ATOM 0 HE1 MET A 54 -0.614 8.821 -1.892 1.00 0.00 H new ATOM 0 HE2 MET A 54 -0.400 7.077 -1.609 1.00 0.00 H new ATOM 0 HE3 MET A 54 -1.915 7.878 -1.127 1.00 0.00 H new ATOM 768 N VAL A 55 -1.089 3.983 -0.825 1.00 0.00 N ATOM 769 CA VAL A 55 -1.185 3.755 -2.257 1.00 0.00 C ATOM 770 C VAL A 55 -2.347 4.573 -2.822 1.00 0.00 C ATOM 771 O VAL A 55 -3.399 4.682 -2.193 1.00 0.00 O ATOM 772 CB VAL A 55 -1.314 2.257 -2.541 1.00 0.00 C ATOM 773 CG1 VAL A 55 0.008 1.680 -3.053 1.00 0.00 C ATOM 774 CG2 VAL A 55 -1.797 1.503 -1.300 1.00 0.00 C ATOM 0 H VAL A 55 -1.965 3.866 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.277 4.090 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.062 2.128 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.111 0.614 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.294 2.187 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.784 1.828 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.880 0.441 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.084 1.644 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.772 1.886 -0.998 1.00 0.00 H new ATOM 784 N GLU A 56 -2.119 5.128 -4.004 1.00 0.00 N ATOM 785 CA GLU A 56 -3.134 5.933 -4.661 1.00 0.00 C ATOM 786 C GLU A 56 -3.654 5.216 -5.909 1.00 0.00 C ATOM 787 O GLU A 56 -2.882 4.600 -6.642 1.00 0.00 O ATOM 788 CB GLU A 56 -2.592 7.320 -5.011 1.00 0.00 C ATOM 789 CG GLU A 56 -3.300 8.406 -4.199 1.00 0.00 C ATOM 790 CD GLU A 56 -3.505 9.671 -5.036 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.868 9.514 -6.222 1.00 0.00 O ATOM 792 OE2 GLU A 56 -3.294 10.766 -4.471 1.00 0.00 O ATOM 0 H GLU A 56 -1.246 5.036 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.966 6.068 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.520 7.355 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.729 7.510 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.264 8.035 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.712 8.644 -3.312 1.00 0.00 H new ATOM 799 N TYR A 57 -4.959 5.321 -6.112 1.00 0.00 N ATOM 800 CA TYR A 57 -5.591 4.690 -7.258 1.00 0.00 C ATOM 801 C TYR A 57 -6.131 5.739 -8.233 1.00 0.00 C ATOM 802 O TYR A 57 -6.512 6.834 -7.823 1.00 0.00 O ATOM 803 CB TYR A 57 -6.763 3.879 -6.701 1.00 0.00 C ATOM 804 CG TYR A 57 -6.347 2.574 -6.018 1.00 0.00 C ATOM 805 CD1 TYR A 57 -5.694 1.596 -6.740 1.00 0.00 C ATOM 806 CD2 TYR A 57 -6.626 2.376 -4.681 1.00 0.00 C ATOM 807 CE1 TYR A 57 -5.303 0.368 -6.097 1.00 0.00 C ATOM 808 CE2 TYR A 57 -6.234 1.148 -4.039 1.00 0.00 C ATOM 809 CZ TYR A 57 -5.592 0.204 -4.778 1.00 0.00 C ATOM 810 OH TYR A 57 -5.223 -0.955 -4.172 1.00 0.00 O ATOM 0 H TYR A 57 -5.596 5.834 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 57 -4.874 4.072 -7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.309 4.494 -5.986 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.451 3.648 -7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.476 1.751 -7.786 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.138 3.141 -4.117 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.791 -0.406 -6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.445 0.980 -2.993 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.873 -1.578 -4.843 1.00 0.00 H new ATOM 820 N LEU A 58 -6.145 5.367 -9.504 1.00 0.00 N ATOM 821 CA LEU A 58 -6.632 6.262 -10.540 1.00 0.00 C ATOM 822 C LEU A 58 -8.148 6.106 -10.673 1.00 0.00 C ATOM 823 O LEU A 58 -8.765 6.719 -11.543 1.00 0.00 O ATOM 824 CB LEU A 58 -5.873 6.030 -11.848 1.00 0.00 C ATOM 825 CG LEU A 58 -4.352 6.181 -11.777 1.00 0.00 C ATOM 826 CD1 LEU A 58 -3.963 7.517 -11.141 1.00 0.00 C ATOM 827 CD2 LEU A 58 -3.717 4.994 -11.051 1.00 0.00 C ATOM 0 H LEU A 58 -5.827 4.458 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.441 7.300 -10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.102 5.026 -12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.253 6.728 -12.594 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.961 6.183 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.877 7.599 -11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.368 8.335 -11.737 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.367 7.570 -10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.636 5.126 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.110 4.936 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.952 4.073 -11.585 1.00 0.00 H new ATOM 839 N ARG A 59 -8.705 5.281 -9.798 1.00 0.00 N ATOM 840 CA ARG A 59 -10.137 5.036 -9.806 1.00 0.00 C ATOM 841 C ARG A 59 -10.675 4.983 -8.375 1.00 0.00 C ATOM 842 O ARG A 59 -10.153 4.247 -7.539 1.00 0.00 O ATOM 843 CB ARG A 59 -10.467 3.723 -10.517 1.00 0.00 C ATOM 844 CG ARG A 59 -10.363 3.880 -12.035 1.00 0.00 C ATOM 845 CD ARG A 59 -10.023 2.545 -12.703 1.00 0.00 C ATOM 846 NE ARG A 59 -11.199 2.036 -13.443 1.00 0.00 N ATOM 847 CZ ARG A 59 -11.155 1.021 -14.316 1.00 0.00 C ATOM 848 NH1 ARG A 59 -9.993 0.401 -14.565 1.00 0.00 N ATOM 849 NH2 ARG A 59 -12.272 0.625 -14.941 1.00 0.00 N ATOM 0 H ARG A 59 -8.190 4.774 -9.079 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.611 5.857 -10.345 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.785 2.942 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.474 3.403 -10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.305 4.259 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.597 4.617 -12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.182 2.674 -13.384 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.715 1.820 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.099 2.486 -13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.142 0.702 -14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.960 -0.372 -15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.157 1.097 -14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.238 -0.148 -15.606 1.00 0.00 H new ATOM 863 N LYS A 60 -11.711 5.773 -8.136 1.00 0.00 N ATOM 864 CA LYS A 60 -12.326 5.824 -6.820 1.00 0.00 C ATOM 865 C LYS A 60 -12.800 4.423 -6.428 1.00 0.00 C ATOM 866 O LYS A 60 -12.468 3.930 -5.351 1.00 0.00 O ATOM 867 CB LYS A 60 -13.432 6.880 -6.787 1.00 0.00 C ATOM 868 CG LYS A 60 -14.200 6.828 -5.464 1.00 0.00 C ATOM 869 CD LYS A 60 -15.463 7.689 -5.529 1.00 0.00 C ATOM 870 CE LYS A 60 -16.271 7.575 -4.235 1.00 0.00 C ATOM 871 NZ LYS A 60 -17.334 8.604 -4.196 1.00 0.00 N ATOM 0 H LYS A 60 -12.140 6.383 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.598 6.135 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.998 7.871 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.119 6.718 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.470 5.797 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.560 7.176 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.189 8.730 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.077 7.377 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.715 6.582 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.611 7.693 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.873 8.513 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.904 9.550 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.973 8.474 -5.006 1.00 0.00 H new ATOM 885 N GLU A 61 -13.569 3.822 -7.324 1.00 0.00 N ATOM 886 CA GLU A 61 -14.093 2.488 -7.085 1.00 0.00 C ATOM 887 C GLU A 61 -12.955 1.526 -6.736 1.00 0.00 C ATOM 888 O GLU A 61 -13.056 0.762 -5.776 1.00 0.00 O ATOM 889 CB GLU A 61 -14.884 1.985 -8.294 1.00 0.00 C ATOM 890 CG GLU A 61 -16.378 1.902 -7.976 1.00 0.00 C ATOM 891 CD GLU A 61 -16.995 0.632 -8.566 1.00 0.00 C ATOM 892 OE1 GLU A 61 -16.975 -0.393 -7.852 1.00 0.00 O ATOM 893 OE2 GLU A 61 -17.473 0.716 -9.718 1.00 0.00 O ATOM 0 H GLU A 61 -13.842 4.234 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 61 -14.777 2.534 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.725 2.653 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.517 1.003 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.525 1.914 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.888 2.778 -8.377 1.00 0.00 H new ATOM 900 N ASP A 62 -11.899 1.594 -7.532 1.00 0.00 N ATOM 901 CA ASP A 62 -10.744 0.739 -7.319 1.00 0.00 C ATOM 902 C ASP A 62 -10.259 0.895 -5.876 1.00 0.00 C ATOM 903 O ASP A 62 -9.791 -0.067 -5.268 1.00 0.00 O ATOM 904 CB ASP A 62 -9.592 1.127 -8.249 1.00 0.00 C ATOM 905 CG ASP A 62 -9.705 0.589 -9.677 1.00 0.00 C ATOM 906 OD1 ASP A 62 -10.815 0.130 -10.024 1.00 0.00 O ATOM 907 OD2 ASP A 62 -8.680 0.650 -10.389 1.00 0.00 O ATOM 0 H ASP A 62 -11.819 2.229 -8.326 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.043 -0.289 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.529 2.214 -8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.658 0.770 -7.815 1.00 0.00 H new ATOM 912 N MET A 63 -10.389 2.112 -5.370 1.00 0.00 N ATOM 913 CA MET A 63 -9.970 2.406 -4.010 1.00 0.00 C ATOM 914 C MET A 63 -10.755 1.565 -3.001 1.00 0.00 C ATOM 915 O MET A 63 -10.166 0.850 -2.191 1.00 0.00 O ATOM 916 CB MET A 63 -10.189 3.891 -3.718 1.00 0.00 C ATOM 917 CG MET A 63 -9.240 4.380 -2.622 1.00 0.00 C ATOM 918 SD MET A 63 -10.177 4.973 -1.223 1.00 0.00 S ATOM 919 CE MET A 63 -11.429 5.924 -2.068 1.00 0.00 C ATOM 0 H MET A 63 -10.779 2.906 -5.877 1.00 0.00 H new ATOM 0 HA MET A 63 -8.912 2.161 -3.914 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.030 4.471 -4.627 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.222 4.056 -3.410 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.581 3.569 -2.312 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.604 5.177 -3.009 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.761 6.740 -1.426 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.015 6.333 -2.990 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.277 5.281 -2.305 1.00 0.00 H new ATOM 929 N GLU A 64 -12.073 1.679 -3.082 1.00 0.00 N ATOM 930 CA GLU A 64 -12.944 0.938 -2.187 1.00 0.00 C ATOM 931 C GLU A 64 -12.777 -0.567 -2.407 1.00 0.00 C ATOM 932 O GLU A 64 -12.784 -1.342 -1.452 1.00 0.00 O ATOM 933 CB GLU A 64 -14.404 1.360 -2.368 1.00 0.00 C ATOM 934 CG GLU A 64 -14.598 2.833 -2.002 1.00 0.00 C ATOM 935 CD GLU A 64 -16.048 3.111 -1.599 1.00 0.00 C ATOM 936 OE1 GLU A 64 -16.838 3.435 -2.511 1.00 0.00 O ATOM 937 OE2 GLU A 64 -16.333 2.992 -0.387 1.00 0.00 O ATOM 0 H GLU A 64 -12.558 2.274 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.658 1.169 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.709 1.195 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.046 0.739 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.931 3.098 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.326 3.461 -2.850 1.00 0.00 H new ATOM 944 N TYR A 65 -12.631 -0.935 -3.672 1.00 0.00 N ATOM 945 CA TYR A 65 -12.463 -2.333 -4.030 1.00 0.00 C ATOM 946 C TYR A 65 -11.355 -2.982 -3.198 1.00 0.00 C ATOM 947 O TYR A 65 -11.618 -3.882 -2.401 1.00 0.00 O ATOM 948 CB TYR A 65 -12.051 -2.344 -5.503 1.00 0.00 C ATOM 949 CG TYR A 65 -11.681 -3.730 -6.035 1.00 0.00 C ATOM 950 CD1 TYR A 65 -10.422 -4.246 -5.801 1.00 0.00 C ATOM 951 CD2 TYR A 65 -12.605 -4.464 -6.750 1.00 0.00 C ATOM 952 CE1 TYR A 65 -10.074 -5.550 -6.302 1.00 0.00 C ATOM 953 CE2 TYR A 65 -12.257 -5.769 -7.250 1.00 0.00 C ATOM 954 CZ TYR A 65 -11.009 -6.247 -7.002 1.00 0.00 C ATOM 955 OH TYR A 65 -10.680 -7.479 -7.475 1.00 0.00 O ATOM 0 H TYR A 65 -12.626 -0.289 -4.461 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.383 -2.889 -3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.869 -1.943 -6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.200 -1.676 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.698 -3.671 -5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.589 -4.060 -6.935 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.093 -5.965 -6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.972 -6.355 -7.809 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.445 -7.860 -7.954 1.00 0.00 H new ATOM 965 N ALA A 66 -10.139 -2.500 -3.411 1.00 0.00 N ATOM 966 CA ALA A 66 -8.991 -3.023 -2.690 1.00 0.00 C ATOM 967 C ALA A 66 -9.232 -2.886 -1.186 1.00 0.00 C ATOM 968 O ALA A 66 -8.865 -3.769 -0.412 1.00 0.00 O ATOM 969 CB ALA A 66 -7.726 -2.292 -3.147 1.00 0.00 C ATOM 0 H ALA A 66 -9.924 -1.754 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.852 -4.082 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.864 -2.684 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.584 -2.445 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.828 -1.226 -2.943 1.00 0.00 H new ATOM 975 N LEU A 67 -9.848 -1.772 -0.817 1.00 0.00 N ATOM 976 CA LEU A 67 -10.143 -1.508 0.582 1.00 0.00 C ATOM 977 C LEU A 67 -10.867 -2.715 1.182 1.00 0.00 C ATOM 978 O LEU A 67 -10.394 -3.309 2.150 1.00 0.00 O ATOM 979 CB LEU A 67 -10.912 -0.194 0.728 1.00 0.00 C ATOM 980 CG LEU A 67 -10.070 1.083 0.698 1.00 0.00 C ATOM 981 CD1 LEU A 67 -10.950 2.315 0.480 1.00 0.00 C ATOM 982 CD2 LEU A 67 -9.215 1.206 1.961 1.00 0.00 C ATOM 0 H LEU A 67 -10.151 -1.042 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.221 -1.375 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.650 -0.137 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.462 -0.221 1.669 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.387 1.021 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.327 3.209 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.477 2.222 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.674 2.393 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.626 2.122 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.863 1.235 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.546 0.348 2.033 1.00 0.00 H new ATOM 994 N ARG A 68 -12.002 -3.042 0.583 1.00 0.00 N ATOM 995 CA ARG A 68 -12.796 -4.167 1.047 1.00 0.00 C ATOM 996 C ARG A 68 -12.094 -5.485 0.714 1.00 0.00 C ATOM 997 O ARG A 68 -11.671 -6.210 1.612 1.00 0.00 O ATOM 998 CB ARG A 68 -14.186 -4.161 0.406 1.00 0.00 C ATOM 999 CG ARG A 68 -14.881 -2.814 0.615 1.00 0.00 C ATOM 1000 CD ARG A 68 -15.096 -2.533 2.103 1.00 0.00 C ATOM 1001 NE ARG A 68 -16.206 -1.570 2.281 1.00 0.00 N ATOM 1002 CZ ARG A 68 -17.501 -1.881 2.138 1.00 0.00 C ATOM 1003 NH1 ARG A 68 -17.858 -3.131 1.815 1.00 0.00 N ATOM 1004 NH2 ARG A 68 -18.440 -0.942 2.319 1.00 0.00 N ATOM 0 H ARG A 68 -12.391 -2.548 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.906 -4.073 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.099 -4.368 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.792 -4.958 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.280 -2.019 0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.841 -2.812 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.321 -3.461 2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.182 -2.132 2.542 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.970 -0.609 2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.144 -3.846 1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.844 -3.368 1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.169 0.010 2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.426 -1.179 2.210 1.00 0.00 H new ATOM 1018 N LYS A 69 -11.993 -5.754 -0.579 1.00 0.00 N ATOM 1019 CA LYS A 69 -11.349 -6.972 -1.041 1.00 0.00 C ATOM 1020 C LYS A 69 -10.164 -7.295 -0.130 1.00 0.00 C ATOM 1021 O LYS A 69 -10.154 -8.327 0.540 1.00 0.00 O ATOM 1022 CB LYS A 69 -10.973 -6.852 -2.520 1.00 0.00 C ATOM 1023 CG LYS A 69 -12.089 -7.395 -3.415 1.00 0.00 C ATOM 1024 CD LYS A 69 -13.083 -6.292 -3.782 1.00 0.00 C ATOM 1025 CE LYS A 69 -14.522 -6.809 -3.723 1.00 0.00 C ATOM 1026 NZ LYS A 69 -15.455 -5.813 -4.297 1.00 0.00 N ATOM 0 H LYS A 69 -12.346 -5.150 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.038 -7.814 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.780 -5.808 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.050 -7.400 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.659 -7.818 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.610 -8.203 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.967 -5.451 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.867 -5.921 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.600 -7.748 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.797 -7.020 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.427 -6.180 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.392 -4.927 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.202 -5.632 -5.289 1.00 0.00 H new ATOM 1040 N LEU A 70 -9.193 -6.394 -0.133 1.00 0.00 N ATOM 1041 CA LEU A 70 -8.005 -6.569 0.685 1.00 0.00 C ATOM 1042 C LEU A 70 -8.406 -6.581 2.162 1.00 0.00 C ATOM 1043 O LEU A 70 -8.229 -7.586 2.849 1.00 0.00 O ATOM 1044 CB LEU A 70 -6.956 -5.511 0.341 1.00 0.00 C ATOM 1045 CG LEU A 70 -6.672 -5.306 -1.148 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -5.721 -4.129 -1.369 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -6.149 -6.594 -1.789 1.00 0.00 C ATOM 0 H LEU A 70 -9.205 -5.539 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.535 -7.530 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.277 -4.559 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.022 -5.780 0.835 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.611 -5.058 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.536 -4.006 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.170 -3.219 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.778 -4.322 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.955 -6.421 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.225 -6.897 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.894 -7.383 -1.681 1.00 0.00 H new ATOM 1059 N ASP A 71 -8.938 -5.453 2.607 1.00 0.00 N ATOM 1060 CA ASP A 71 -9.365 -5.320 3.989 1.00 0.00 C ATOM 1061 C ASP A 71 -8.702 -6.413 4.830 1.00 0.00 C ATOM 1062 O ASP A 71 -9.232 -7.516 4.952 1.00 0.00 O ATOM 1063 CB ASP A 71 -10.882 -5.482 4.115 1.00 0.00 C ATOM 1064 CG ASP A 71 -11.428 -5.368 5.540 1.00 0.00 C ATOM 1065 OD1 ASP A 71 -10.714 -4.773 6.376 1.00 0.00 O ATOM 1066 OD2 ASP A 71 -12.547 -5.878 5.761 1.00 0.00 O ATOM 0 H ASP A 71 -9.083 -4.622 2.034 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.078 -4.328 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.366 -4.727 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.163 -6.454 3.711 1.00 0.00 H new ATOM 1071 N ASP A 72 -7.551 -6.068 5.388 1.00 0.00 N ATOM 1072 CA ASP A 72 -6.809 -7.006 6.214 1.00 0.00 C ATOM 1073 C ASP A 72 -6.393 -8.209 5.365 1.00 0.00 C ATOM 1074 O ASP A 72 -7.197 -9.106 5.119 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.667 -7.518 7.372 1.00 0.00 C ATOM 1076 CG ASP A 72 -7.032 -8.634 8.204 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.164 -8.296 9.038 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -7.427 -9.800 7.987 1.00 0.00 O ATOM 0 H ASP A 72 -7.114 -5.152 5.285 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.937 -6.487 6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.898 -6.681 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.614 -7.879 6.971 1.00 0.00 H new ATOM 1083 N THR A 73 -5.139 -8.188 4.941 1.00 0.00 N ATOM 1084 CA THR A 73 -4.607 -9.266 4.124 1.00 0.00 C ATOM 1085 C THR A 73 -3.240 -9.709 4.651 1.00 0.00 C ATOM 1086 O THR A 73 -2.696 -9.097 5.569 1.00 0.00 O ATOM 1087 CB THR A 73 -4.571 -8.786 2.672 1.00 0.00 C ATOM 1088 OG1 THR A 73 -4.103 -7.443 2.761 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.970 -8.653 2.065 1.00 0.00 C ATOM 0 H THR A 73 -4.475 -7.442 5.147 1.00 0.00 H new ATOM 0 HA THR A 73 -5.243 -10.150 4.173 1.00 0.00 H new ATOM 0 HB THR A 73 -3.980 -9.480 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.048 -7.056 1.863 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.888 -8.309 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.469 -9.622 2.086 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.550 -7.933 2.642 1.00 0.00 H new ATOM 1097 N LYS A 74 -2.725 -10.770 4.047 1.00 0.00 N ATOM 1098 CA LYS A 74 -1.433 -11.303 4.444 1.00 0.00 C ATOM 1099 C LYS A 74 -0.373 -10.866 3.430 1.00 0.00 C ATOM 1100 O LYS A 74 -0.242 -11.469 2.366 1.00 0.00 O ATOM 1101 CB LYS A 74 -1.513 -12.819 4.635 1.00 0.00 C ATOM 1102 CG LYS A 74 -0.162 -13.389 5.069 1.00 0.00 C ATOM 1103 CD LYS A 74 -0.326 -14.781 5.684 1.00 0.00 C ATOM 1104 CE LYS A 74 0.097 -14.784 7.154 1.00 0.00 C ATOM 1105 NZ LYS A 74 0.084 -16.162 7.694 1.00 0.00 N ATOM 0 H LYS A 74 -3.179 -11.275 3.286 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.136 -10.899 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.269 -13.055 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.828 -13.290 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.507 -13.444 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.303 -12.720 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.365 -15.099 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.274 -15.501 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.095 -14.358 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.577 -14.153 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.374 -16.146 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.876 -16.556 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.745 -16.754 7.151 1.00 0.00 H new ATOM 1119 N PHE A 75 0.356 -9.823 3.796 1.00 0.00 N ATOM 1120 CA PHE A 75 1.400 -9.299 2.932 1.00 0.00 C ATOM 1121 C PHE A 75 2.747 -9.955 3.240 1.00 0.00 C ATOM 1122 O PHE A 75 3.167 -10.008 4.395 1.00 0.00 O ATOM 1123 CB PHE A 75 1.501 -7.798 3.212 1.00 0.00 C ATOM 1124 CG PHE A 75 2.649 -7.104 2.476 1.00 0.00 C ATOM 1125 CD1 PHE A 75 2.704 -7.135 1.118 1.00 0.00 C ATOM 1126 CD2 PHE A 75 3.615 -6.456 3.181 1.00 0.00 C ATOM 1127 CE1 PHE A 75 3.769 -6.491 0.435 1.00 0.00 C ATOM 1128 CE2 PHE A 75 4.681 -5.812 2.498 1.00 0.00 C ATOM 1129 CZ PHE A 75 4.735 -5.843 1.140 1.00 0.00 C ATOM 0 H PHE A 75 0.245 -9.326 4.680 1.00 0.00 H new ATOM 0 HA PHE A 75 1.157 -9.503 1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.562 -7.322 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.626 -7.646 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.937 -7.650 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.572 -6.431 4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.812 -6.516 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.448 -5.298 3.057 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.545 -5.353 0.621 1.00 0.00 H new ATOM 1139 N ARG A 76 3.388 -10.439 2.186 1.00 0.00 N ATOM 1140 CA ARG A 76 4.679 -11.090 2.329 1.00 0.00 C ATOM 1141 C ARG A 76 5.776 -10.242 1.681 1.00 0.00 C ATOM 1142 O ARG A 76 5.714 -9.948 0.488 1.00 0.00 O ATOM 1143 CB ARG A 76 4.671 -12.478 1.686 1.00 0.00 C ATOM 1144 CG ARG A 76 5.937 -13.258 2.048 1.00 0.00 C ATOM 1145 CD ARG A 76 5.829 -14.717 1.600 1.00 0.00 C ATOM 1146 NE ARG A 76 6.811 -14.990 0.526 1.00 0.00 N ATOM 1147 CZ ARG A 76 7.121 -16.218 0.087 1.00 0.00 C ATOM 1148 NH1 ARG A 76 6.529 -17.292 0.627 1.00 0.00 N ATOM 1149 NH2 ARG A 76 8.024 -16.371 -0.891 1.00 0.00 N ATOM 0 H ARG A 76 3.037 -10.393 1.229 1.00 0.00 H new ATOM 0 HA ARG A 76 4.879 -11.197 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.792 -13.031 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.597 -12.380 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.803 -12.792 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.099 -13.216 3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.009 -15.380 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.820 -14.923 1.243 1.00 0.00 H new ATOM 0 HE ARG A 76 7.281 -14.195 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.842 -17.175 1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.765 -18.226 0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.475 -15.553 -1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.260 -17.305 -1.225 1.00 0.00 H new ATOM 1163 N SER A 77 6.753 -9.873 2.495 1.00 0.00 N ATOM 1164 CA SER A 77 7.862 -9.065 2.016 1.00 0.00 C ATOM 1165 C SER A 77 8.853 -9.939 1.246 1.00 0.00 C ATOM 1166 O SER A 77 8.653 -11.147 1.119 1.00 0.00 O ATOM 1167 CB SER A 77 8.568 -8.356 3.174 1.00 0.00 C ATOM 1168 OG SER A 77 9.381 -9.250 3.930 1.00 0.00 O ATOM 0 H SER A 77 6.800 -10.119 3.484 1.00 0.00 H new ATOM 0 HA SER A 77 7.464 -8.302 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.185 -7.548 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.824 -7.901 3.828 1.00 0.00 H new ATOM 0 HG SER A 77 8.897 -10.090 4.074 1.00 0.00 H new ATOM 1174 N HIS A 78 9.900 -9.297 0.751 1.00 0.00 N ATOM 1175 CA HIS A 78 10.923 -10.001 -0.004 1.00 0.00 C ATOM 1176 C HIS A 78 11.799 -10.812 0.953 1.00 0.00 C ATOM 1177 O HIS A 78 12.695 -11.535 0.518 1.00 0.00 O ATOM 1178 CB HIS A 78 11.729 -9.028 -0.866 1.00 0.00 C ATOM 1179 CG HIS A 78 12.804 -8.283 -0.110 1.00 0.00 C ATOM 1180 ND1 HIS A 78 12.869 -6.901 -0.066 1.00 0.00 N ATOM 1181 CD2 HIS A 78 13.852 -8.741 0.632 1.00 0.00 C ATOM 1182 CE1 HIS A 78 13.914 -6.555 0.670 1.00 0.00 C ATOM 1183 NE2 HIS A 78 14.523 -7.697 1.102 1.00 0.00 N ATOM 0 H HIS A 78 10.063 -8.296 0.858 1.00 0.00 H new ATOM 0 HA HIS A 78 10.453 -10.702 -0.694 1.00 0.00 H new ATOM 0 HB2 HIS A 78 12.191 -9.580 -1.684 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.047 -8.305 -1.314 1.00 0.00 H new ATOM 0 HD2 HIS A 78 14.095 -9.779 0.808 1.00 0.00 H new ATOM 0 HE1 HIS A 78 14.229 -5.546 0.890 1.00 0.00 H new ATOM 0 HE2 HIS A 78 15.356 -7.741 1.689 1.00 0.00 H new ATOM 1191 N GLU A 79 11.510 -10.665 2.238 1.00 0.00 N ATOM 1192 CA GLU A 79 12.261 -11.375 3.259 1.00 0.00 C ATOM 1193 C GLU A 79 11.492 -12.615 3.718 1.00 0.00 C ATOM 1194 O GLU A 79 11.789 -13.182 4.768 1.00 0.00 O ATOM 1195 CB GLU A 79 12.578 -10.458 4.443 1.00 0.00 C ATOM 1196 CG GLU A 79 13.739 -9.518 4.112 1.00 0.00 C ATOM 1197 CD GLU A 79 15.029 -10.303 3.867 1.00 0.00 C ATOM 1198 OE1 GLU A 79 15.638 -10.722 4.875 1.00 0.00 O ATOM 1199 OE2 GLU A 79 15.376 -10.467 2.678 1.00 0.00 O ATOM 0 H GLU A 79 10.766 -10.065 2.595 1.00 0.00 H new ATOM 0 HA GLU A 79 13.208 -11.698 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.695 -9.874 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.830 -11.060 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.494 -8.929 3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.887 -8.815 4.932 1.00 0.00 H new ATOM 1206 N GLY A 80 10.517 -13.001 2.907 1.00 0.00 N ATOM 1207 CA GLY A 80 9.703 -14.164 3.216 1.00 0.00 C ATOM 1208 C GLY A 80 8.882 -13.937 4.487 1.00 0.00 C ATOM 1209 O GLY A 80 8.262 -14.865 5.004 1.00 0.00 O ATOM 0 H GLY A 80 10.273 -12.529 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.036 -14.377 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.343 -15.037 3.343 1.00 0.00 H new ATOM 1213 N GLU A 81 8.904 -12.697 4.953 1.00 0.00 N ATOM 1214 CA GLU A 81 8.170 -12.336 6.154 1.00 0.00 C ATOM 1215 C GLU A 81 6.725 -11.975 5.804 1.00 0.00 C ATOM 1216 O GLU A 81 6.476 -11.277 4.822 1.00 0.00 O ATOM 1217 CB GLU A 81 8.858 -11.186 6.893 1.00 0.00 C ATOM 1218 CG GLU A 81 7.875 -10.459 7.813 1.00 0.00 C ATOM 1219 CD GLU A 81 8.540 -10.083 9.138 1.00 0.00 C ATOM 1220 OE1 GLU A 81 9.751 -9.776 9.098 1.00 0.00 O ATOM 1221 OE2 GLU A 81 7.823 -10.112 10.161 1.00 0.00 O ATOM 0 H GLU A 81 9.419 -11.930 4.521 1.00 0.00 H new ATOM 0 HA GLU A 81 8.158 -13.198 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.692 -11.573 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.274 -10.483 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.506 -9.560 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.011 -11.095 8.003 1.00 0.00 H new ATOM 1228 N THR A 82 5.810 -12.467 6.626 1.00 0.00 N ATOM 1229 CA THR A 82 4.396 -12.206 6.415 1.00 0.00 C ATOM 1230 C THR A 82 3.811 -11.448 7.608 1.00 0.00 C ATOM 1231 O THR A 82 4.245 -11.638 8.743 1.00 0.00 O ATOM 1232 CB THR A 82 3.703 -13.543 6.146 1.00 0.00 C ATOM 1233 OG1 THR A 82 4.240 -14.418 7.135 1.00 0.00 O ATOM 1234 CG2 THR A 82 4.136 -14.170 4.819 1.00 0.00 C ATOM 0 H THR A 82 6.020 -13.045 7.440 1.00 0.00 H new ATOM 0 HA THR A 82 4.237 -11.562 5.550 1.00 0.00 H new ATOM 0 HB THR A 82 2.623 -13.398 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.843 -15.308 7.034 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.615 -15.117 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.891 -13.494 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.212 -14.347 4.834 1.00 0.00 H new ATOM 1242 N SER A 83 2.833 -10.604 7.310 1.00 0.00 N ATOM 1243 CA SER A 83 2.184 -9.816 8.344 1.00 0.00 C ATOM 1244 C SER A 83 0.809 -9.351 7.861 1.00 0.00 C ATOM 1245 O SER A 83 0.610 -9.123 6.668 1.00 0.00 O ATOM 1246 CB SER A 83 3.042 -8.613 8.741 1.00 0.00 C ATOM 1247 OG SER A 83 3.659 -8.002 7.611 1.00 0.00 O ATOM 0 H SER A 83 2.475 -10.449 6.368 1.00 0.00 H new ATOM 0 HA SER A 83 2.059 -10.445 9.225 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.422 -7.880 9.256 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.810 -8.932 9.445 1.00 0.00 H new ATOM 0 HG SER A 83 2.985 -7.839 6.919 1.00 0.00 H new ATOM 1253 N TYR A 84 -0.105 -9.222 8.811 1.00 0.00 N ATOM 1254 CA TYR A 84 -1.456 -8.788 8.497 1.00 0.00 C ATOM 1255 C TYR A 84 -1.534 -7.263 8.407 1.00 0.00 C ATOM 1256 O TYR A 84 -1.269 -6.565 9.385 1.00 0.00 O ATOM 1257 CB TYR A 84 -2.332 -9.264 9.658 1.00 0.00 C ATOM 1258 CG TYR A 84 -2.845 -10.697 9.503 1.00 0.00 C ATOM 1259 CD1 TYR A 84 -3.290 -11.142 8.275 1.00 0.00 C ATOM 1260 CD2 TYR A 84 -2.863 -11.545 10.592 1.00 0.00 C ATOM 1261 CE1 TYR A 84 -3.773 -12.491 8.130 1.00 0.00 C ATOM 1262 CE2 TYR A 84 -3.345 -12.894 10.447 1.00 0.00 C ATOM 1263 CZ TYR A 84 -3.776 -13.300 9.223 1.00 0.00 C ATOM 1264 OH TYR A 84 -4.232 -14.574 9.086 1.00 0.00 O ATOM 0 H TYR A 84 0.063 -9.410 9.799 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.777 -9.194 7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.761 -9.191 10.584 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.185 -8.592 9.756 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.276 -10.479 7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.515 -11.196 11.553 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.125 -12.852 7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.364 -13.568 11.291 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.175 -15.036 9.948 1.00 0.00 H new ATOM 1274 N ILE A 85 -1.899 -6.790 7.224 1.00 0.00 N ATOM 1275 CA ILE A 85 -2.015 -5.360 6.993 1.00 0.00 C ATOM 1276 C ILE A 85 -3.470 -5.018 6.667 1.00 0.00 C ATOM 1277 O ILE A 85 -4.089 -5.663 5.822 1.00 0.00 O ATOM 1278 CB ILE A 85 -1.022 -4.908 5.921 1.00 0.00 C ATOM 1279 CG1 ILE A 85 -1.287 -5.620 4.593 1.00 0.00 C ATOM 1280 CG2 ILE A 85 0.421 -5.097 6.395 1.00 0.00 C ATOM 1281 CD1 ILE A 85 -0.857 -4.750 3.409 1.00 0.00 C ATOM 0 H ILE A 85 -2.118 -7.372 6.415 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.750 -4.806 7.893 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.167 -3.841 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.746 -6.566 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.348 -5.857 4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.107 -4.768 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.588 -4.507 7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.598 -6.150 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.056 -5.279 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.417 -3.815 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.209 -4.535 3.484 1.00 0.00 H new ATOM 1293 N ARG A 86 -3.974 -4.003 7.354 1.00 0.00 N ATOM 1294 CA ARG A 86 -5.345 -3.567 7.148 1.00 0.00 C ATOM 1295 C ARG A 86 -5.402 -2.495 6.057 1.00 0.00 C ATOM 1296 O ARG A 86 -4.432 -1.771 5.841 1.00 0.00 O ATOM 1297 CB ARG A 86 -5.943 -3.003 8.438 1.00 0.00 C ATOM 1298 CG ARG A 86 -6.828 -4.042 9.131 1.00 0.00 C ATOM 1299 CD ARG A 86 -6.001 -5.238 9.606 1.00 0.00 C ATOM 1300 NE ARG A 86 -5.722 -5.118 11.054 1.00 0.00 N ATOM 1301 CZ ARG A 86 -6.629 -5.345 12.015 1.00 0.00 C ATOM 1302 NH1 ARG A 86 -7.877 -5.705 11.686 1.00 0.00 N ATOM 1303 NH2 ARG A 86 -6.287 -5.212 13.303 1.00 0.00 N ATOM 0 H ARG A 86 -3.458 -3.470 8.054 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.927 -4.436 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.142 -2.695 9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.530 -2.112 8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.334 -3.585 9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.603 -4.381 8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.539 -6.165 9.407 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.065 -5.287 9.050 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.781 -4.846 11.339 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.137 -5.806 10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.567 -5.878 12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.337 -4.938 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.977 -5.385 14.034 1.00 0.00 H new ATOM 1317 N VAL A 87 -6.550 -2.428 5.398 1.00 0.00 N ATOM 1318 CA VAL A 87 -6.747 -1.457 4.335 1.00 0.00 C ATOM 1319 C VAL A 87 -7.944 -0.568 4.678 1.00 0.00 C ATOM 1320 O VAL A 87 -9.076 -1.043 4.744 1.00 0.00 O ATOM 1321 CB VAL A 87 -6.901 -2.175 2.993 1.00 0.00 C ATOM 1322 CG1 VAL A 87 -6.530 -1.251 1.831 1.00 0.00 C ATOM 1323 CG2 VAL A 87 -6.070 -3.459 2.959 1.00 0.00 C ATOM 0 H VAL A 87 -7.353 -3.030 5.580 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.876 -0.808 4.244 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.949 -2.452 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.648 -1.786 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.183 -0.378 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.494 -0.930 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.198 -3.950 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.018 -3.215 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.402 -4.128 3.753 1.00 0.00 H new ATOM 1333 N TYR A 88 -7.652 0.708 4.887 1.00 0.00 N ATOM 1334 CA TYR A 88 -8.689 1.668 5.221 1.00 0.00 C ATOM 1335 C TYR A 88 -8.426 3.017 4.549 1.00 0.00 C ATOM 1336 O TYR A 88 -7.290 3.323 4.188 1.00 0.00 O ATOM 1337 CB TYR A 88 -8.625 1.847 6.739 1.00 0.00 C ATOM 1338 CG TYR A 88 -7.233 2.202 7.265 1.00 0.00 C ATOM 1339 CD1 TYR A 88 -6.245 1.240 7.306 1.00 0.00 C ATOM 1340 CD2 TYR A 88 -6.965 3.485 7.699 1.00 0.00 C ATOM 1341 CE1 TYR A 88 -4.934 1.574 7.801 1.00 0.00 C ATOM 1342 CE2 TYR A 88 -5.655 3.819 8.194 1.00 0.00 C ATOM 1343 CZ TYR A 88 -4.704 2.847 8.221 1.00 0.00 C ATOM 1344 OH TYR A 88 -3.466 3.162 8.688 1.00 0.00 O ATOM 0 H TYR A 88 -6.711 1.099 4.831 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.663 1.314 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.324 2.631 7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.959 0.927 7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.454 0.236 6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.738 4.238 7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.152 0.830 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.432 4.819 8.536 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.446 4.106 8.952 1.00 0.00 H new ATOM 1354 N PRO A 89 -9.522 3.807 4.396 1.00 0.00 N ATOM 1355 CA PRO A 89 -9.420 5.116 3.773 1.00 0.00 C ATOM 1356 C PRO A 89 -8.781 6.128 4.726 1.00 0.00 C ATOM 1357 O PRO A 89 -8.434 5.789 5.856 1.00 0.00 O ATOM 1358 CB PRO A 89 -10.845 5.480 3.389 1.00 0.00 C ATOM 1359 CG PRO A 89 -11.744 4.581 4.221 1.00 0.00 C ATOM 1360 CD PRO A 89 -10.882 3.476 4.811 1.00 0.00 C ATOM 0 HA PRO A 89 -8.773 5.116 2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.048 6.531 3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.014 5.323 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.227 5.153 5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.537 4.158 3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.968 3.444 5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.183 2.497 4.438 1.00 0.00 H new ATOM 1368 N GLU A 90 -8.643 7.350 4.234 1.00 0.00 N ATOM 1369 CA GLU A 90 -8.051 8.414 5.027 1.00 0.00 C ATOM 1370 C GLU A 90 -9.140 9.191 5.770 1.00 0.00 C ATOM 1371 O GLU A 90 -10.328 8.999 5.515 1.00 0.00 O ATOM 1372 CB GLU A 90 -7.212 9.348 4.153 1.00 0.00 C ATOM 1373 CG GLU A 90 -5.864 9.650 4.810 1.00 0.00 C ATOM 1374 CD GLU A 90 -5.539 11.144 4.733 1.00 0.00 C ATOM 1375 OE1 GLU A 90 -6.436 11.938 5.088 1.00 0.00 O ATOM 1376 OE2 GLU A 90 -4.401 11.456 4.321 1.00 0.00 O ATOM 0 H GLU A 90 -8.931 7.627 3.296 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.386 7.964 5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.050 8.891 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.754 10.278 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.884 9.332 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.079 9.077 4.317 1.00 0.00 H new ATOM 1383 N ARG A 91 -8.696 10.050 6.675 1.00 0.00 N ATOM 1384 CA ARG A 91 -9.617 10.856 7.458 1.00 0.00 C ATOM 1385 C ARG A 91 -9.514 12.328 7.050 1.00 0.00 C ATOM 1386 O ARG A 91 -8.430 12.908 7.077 1.00 0.00 O ATOM 1387 CB ARG A 91 -9.328 10.728 8.955 1.00 0.00 C ATOM 1388 CG ARG A 91 -10.356 9.822 9.636 1.00 0.00 C ATOM 1389 CD ARG A 91 -10.132 9.779 11.149 1.00 0.00 C ATOM 1390 NE ARG A 91 -11.411 9.506 11.842 1.00 0.00 N ATOM 1391 CZ ARG A 91 -11.985 8.297 11.909 1.00 0.00 C ATOM 1392 NH1 ARG A 91 -11.398 7.243 11.326 1.00 0.00 N ATOM 1393 NH2 ARG A 91 -13.146 8.142 12.560 1.00 0.00 N ATOM 0 H ARG A 91 -7.710 10.206 6.884 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.625 10.490 7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.327 10.323 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.344 11.715 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.362 10.184 9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.287 8.815 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.403 9.007 11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.719 10.728 11.491 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.885 10.286 12.297 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.514 7.361 10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.835 6.323 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.593 8.944 13.004 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.583 7.222 12.611 1.00 0.00 H new ATOM 1407 N SER A 92 -10.656 12.888 6.681 1.00 0.00 N ATOM 1408 CA SER A 92 -10.707 14.281 6.269 1.00 0.00 C ATOM 1409 C SER A 92 -12.144 14.799 6.352 1.00 0.00 C ATOM 1410 O SER A 92 -13.085 14.015 6.472 1.00 0.00 O ATOM 1411 CB SER A 92 -10.162 14.455 4.850 1.00 0.00 C ATOM 1412 OG SER A 92 -9.287 15.574 4.748 1.00 0.00 O ATOM 0 H SER A 92 -11.553 12.403 6.659 1.00 0.00 H new ATOM 0 HA SER A 92 -10.079 14.861 6.945 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.631 13.551 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.993 14.580 4.155 1.00 0.00 H new ATOM 0 HG SER A 92 -8.959 15.650 3.828 1.00 0.00 H new ATOM 1418 N SER A 93 -12.270 16.116 6.286 1.00 0.00 N ATOM 1419 CA SER A 93 -13.576 16.748 6.353 1.00 0.00 C ATOM 1420 C SER A 93 -13.656 17.894 5.342 1.00 0.00 C ATOM 1421 O SER A 93 -14.470 17.859 4.421 1.00 0.00 O ATOM 1422 CB SER A 93 -13.868 17.263 7.764 1.00 0.00 C ATOM 1423 OG SER A 93 -12.771 17.997 8.301 1.00 0.00 O ATOM 0 H SER A 93 -11.488 16.763 6.187 1.00 0.00 H new ATOM 0 HA SER A 93 -14.330 16.001 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.754 17.898 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.096 16.421 8.418 1.00 0.00 H new ATOM 0 HG SER A 93 -12.997 18.310 9.202 1.00 0.00 H new ATOM 1429 N GLY A 94 -12.798 18.883 5.549 1.00 0.00 N ATOM 1430 CA GLY A 94 -12.761 20.038 4.668 1.00 0.00 C ATOM 1431 C GLY A 94 -13.052 21.326 5.440 1.00 0.00 C ATOM 1432 O GLY A 94 -14.210 21.656 5.690 1.00 0.00 O ATOM 0 H GLY A 94 -12.124 18.908 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.782 20.107 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.493 19.915 3.870 1.00 0.00 H new ATOM 1436 N PRO A 95 -11.953 22.038 5.806 1.00 0.00 N ATOM 1437 CA PRO A 95 -12.078 23.283 6.545 1.00 0.00 C ATOM 1438 C PRO A 95 -12.551 24.417 5.632 1.00 0.00 C ATOM 1439 O PRO A 95 -12.082 24.545 4.502 1.00 0.00 O ATOM 1440 CB PRO A 95 -10.700 23.532 7.135 1.00 0.00 C ATOM 1441 CG PRO A 95 -9.740 22.671 6.329 1.00 0.00 C ATOM 1442 CD PRO A 95 -10.565 21.678 5.527 1.00 0.00 C ATOM 0 HA PRO A 95 -12.830 23.230 7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.431 24.586 7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.673 23.264 8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.137 23.291 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.050 22.147 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.344 21.749 4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.354 20.652 5.829 1.00 0.00 H new ATOM 1450 N SER A 96 -13.474 25.210 6.156 1.00 0.00 N ATOM 1451 CA SER A 96 -14.015 26.328 5.403 1.00 0.00 C ATOM 1452 C SER A 96 -13.705 27.642 6.123 1.00 0.00 C ATOM 1453 O SER A 96 -13.567 27.668 7.345 1.00 0.00 O ATOM 1454 CB SER A 96 -15.524 26.177 5.201 1.00 0.00 C ATOM 1455 OG SER A 96 -16.226 26.124 6.439 1.00 0.00 O ATOM 0 H SER A 96 -13.861 25.100 7.093 1.00 0.00 H new ATOM 0 HA SER A 96 -13.543 26.339 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.896 27.013 4.609 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.724 25.269 4.632 1.00 0.00 H new ATOM 0 HG SER A 96 -17.186 26.029 6.267 1.00 0.00 H new ATOM 1461 N SER A 97 -13.606 28.702 5.334 1.00 0.00 N ATOM 1462 CA SER A 97 -13.315 30.017 5.880 1.00 0.00 C ATOM 1463 C SER A 97 -14.042 31.093 5.071 1.00 0.00 C ATOM 1464 O SER A 97 -14.035 31.061 3.841 1.00 0.00 O ATOM 1465 CB SER A 97 -11.809 30.288 5.891 1.00 0.00 C ATOM 1466 OG SER A 97 -11.478 31.428 6.680 1.00 0.00 O ATOM 0 H SER A 97 -13.722 28.677 4.321 1.00 0.00 H new ATOM 0 HA SER A 97 -13.670 30.045 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.286 29.414 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.460 30.440 4.870 1.00 0.00 H new ATOM 0 HG SER A 97 -10.508 31.567 6.663 1.00 0.00 H new ATOM 1472 N GLY A 98 -14.653 32.020 5.794 1.00 0.00 N ATOM 1473 CA GLY A 98 -15.384 33.103 5.158 1.00 0.00 C ATOM 1474 C GLY A 98 -16.645 32.582 4.466 1.00 0.00 C ATOM 1475 O GLY A 98 -17.685 32.419 5.103 1.00 0.00 O ATOM 0 H GLY A 98 -14.657 32.044 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.656 33.850 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.744 33.600 4.429 1.00 0.00 H new TER 1479 GLY A 98