USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -1.33! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.19) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.398 USER MOD Single : A 107 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.13) USER MOD Single : A 109 MET CE :methyl -148:sc= -0.769 (180deg=-1.31) USER MOD Single : A 110 THR OG1 : rot 87:sc= 0.393 USER MOD Single : A 111 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.3) USER MOD Single : A 115 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0463) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 124 MET CE :methyl -172:sc= -3.05! (180deg=-3.12!) USER MOD Single : A 135 GLN : amide:sc= -6.91! C(o=-6.9!,f=-8.8!) USER MOD Single : A 137 ASN : amide:sc= -7.13! C(o=-7.1!,f=-8.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 144 MET CE :methyl -176:sc= 0 (180deg=-0.00866) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot -78:sc= 0.719 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 76 -24.462 -17.274 -3.396 1.00 0.00 N ATOM 2 CA MET A 76 -25.540 -16.313 -3.762 1.00 0.00 C ATOM 3 C MET A 76 -25.098 -14.886 -3.424 1.00 0.00 C ATOM 4 O MET A 76 -25.582 -14.281 -2.489 1.00 0.00 O ATOM 5 CB MET A 76 -26.812 -16.653 -2.980 1.00 0.00 C ATOM 6 CG MET A 76 -26.488 -16.745 -1.489 1.00 0.00 C ATOM 7 SD MET A 76 -26.866 -18.409 -0.890 1.00 0.00 S ATOM 8 CE MET A 76 -26.103 -18.243 0.741 1.00 0.00 C ATOM 0 HA MET A 76 -25.739 -16.384 -4.831 1.00 0.00 H new ATOM 0 HB2 MET A 76 -27.571 -15.890 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 76 -27.225 -17.598 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 76 -25.436 -16.517 -1.320 1.00 0.00 H new ATOM 0 HG3 MET A 76 -27.067 -16.007 -0.934 1.00 0.00 H new ATOM 0 HE1 MET A 76 -26.221 -19.175 1.294 1.00 0.00 H new ATOM 0 HE2 MET A 76 -25.042 -18.021 0.626 1.00 0.00 H new ATOM 0 HE3 MET A 76 -26.585 -17.433 1.288 1.00 0.00 H new ATOM 20 N LYS A 77 -24.182 -14.343 -4.181 1.00 0.00 N ATOM 21 CA LYS A 77 -23.711 -12.953 -3.907 1.00 0.00 C ATOM 22 C LYS A 77 -22.921 -12.923 -2.597 1.00 0.00 C ATOM 23 O LYS A 77 -23.461 -12.657 -1.542 1.00 0.00 O ATOM 24 CB LYS A 77 -24.920 -12.022 -3.796 1.00 0.00 C ATOM 25 CG LYS A 77 -24.470 -10.568 -3.970 1.00 0.00 C ATOM 26 CD LYS A 77 -25.434 -9.845 -4.913 1.00 0.00 C ATOM 27 CE LYS A 77 -26.281 -8.850 -4.115 1.00 0.00 C ATOM 28 NZ LYS A 77 -27.435 -8.403 -4.947 1.00 0.00 N ATOM 0 H LYS A 77 -23.739 -14.801 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 77 -23.067 -12.622 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -25.659 -12.277 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -25.402 -12.150 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -24.445 -10.066 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -23.458 -10.535 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.876 -9.322 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -26.078 -10.567 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -26.639 -9.315 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -25.675 -7.992 -3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -28.011 -7.727 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -27.083 -7.944 -5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -28.017 -9.226 -5.204 1.00 0.00 H new ATOM 42 N ASP A 78 -21.644 -13.189 -2.657 1.00 0.00 N ATOM 43 CA ASP A 78 -20.820 -13.170 -1.413 1.00 0.00 C ATOM 44 C ASP A 78 -20.528 -11.719 -1.029 1.00 0.00 C ATOM 45 O ASP A 78 -20.293 -10.879 -1.875 1.00 0.00 O ATOM 46 CB ASP A 78 -19.503 -13.911 -1.656 1.00 0.00 C ATOM 47 CG ASP A 78 -19.797 -15.313 -2.195 1.00 0.00 C ATOM 48 OD1 ASP A 78 -20.688 -15.955 -1.665 1.00 0.00 O ATOM 49 OD2 ASP A 78 -19.125 -15.719 -3.129 1.00 0.00 O ATOM 0 H ASP A 78 -21.136 -13.418 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 78 -21.363 -13.662 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.888 -13.358 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.935 -13.978 -0.728 1.00 0.00 H new ATOM 54 N THR A 79 -20.545 -11.414 0.239 1.00 0.00 N ATOM 55 CA THR A 79 -20.273 -10.014 0.668 1.00 0.00 C ATOM 56 C THR A 79 -19.093 -9.986 1.639 1.00 0.00 C ATOM 57 O THR A 79 -19.190 -10.439 2.763 1.00 0.00 O ATOM 58 CB THR A 79 -21.513 -9.445 1.362 1.00 0.00 C ATOM 59 OG1 THR A 79 -22.681 -9.996 0.768 1.00 0.00 O ATOM 60 CG2 THR A 79 -21.531 -7.923 1.211 1.00 0.00 C ATOM 0 H THR A 79 -20.735 -12.072 0.995 1.00 0.00 H new ATOM 0 HA THR A 79 -20.032 -9.412 -0.208 1.00 0.00 H new ATOM 0 HB THR A 79 -21.488 -9.702 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 79 -23.476 -9.634 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 79 -22.414 -7.519 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 79 -20.635 -7.502 1.667 1.00 0.00 H new ATOM 0 HG23 THR A 79 -21.556 -7.663 0.153 1.00 0.00 H new ATOM 68 N ASP A 80 -17.981 -9.448 1.218 1.00 0.00 N ATOM 69 CA ASP A 80 -16.796 -9.377 2.117 1.00 0.00 C ATOM 70 C ASP A 80 -16.798 -8.027 2.838 1.00 0.00 C ATOM 71 O ASP A 80 -16.859 -7.956 4.050 1.00 0.00 O ATOM 72 CB ASP A 80 -15.514 -9.506 1.290 1.00 0.00 C ATOM 73 CG ASP A 80 -14.393 -10.065 2.169 1.00 0.00 C ATOM 74 OD1 ASP A 80 -14.027 -9.398 3.122 1.00 0.00 O ATOM 75 OD2 ASP A 80 -13.918 -11.149 1.872 1.00 0.00 O ATOM 0 H ASP A 80 -17.843 -9.054 0.288 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.840 -10.188 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.684 -10.163 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.227 -8.533 0.891 1.00 0.00 H new ATOM 80 N SER A 81 -16.732 -6.957 2.096 1.00 0.00 N ATOM 81 CA SER A 81 -16.730 -5.610 2.723 1.00 0.00 C ATOM 82 C SER A 81 -16.316 -4.569 1.683 1.00 0.00 C ATOM 83 O SER A 81 -15.204 -4.572 1.194 1.00 0.00 O ATOM 84 CB SER A 81 -15.741 -5.599 3.883 1.00 0.00 C ATOM 85 OG SER A 81 -14.985 -4.395 3.857 1.00 0.00 O ATOM 0 H SER A 81 -16.679 -6.960 1.077 1.00 0.00 H new ATOM 0 HA SER A 81 -17.727 -5.373 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.275 -5.684 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.075 -6.459 3.814 1.00 0.00 H new ATOM 0 HG SER A 81 -14.351 -4.390 4.604 1.00 0.00 H new ATOM 91 N GLU A 82 -17.204 -3.679 1.341 1.00 0.00 N ATOM 92 CA GLU A 82 -16.860 -2.638 0.333 1.00 0.00 C ATOM 93 C GLU A 82 -15.845 -1.670 0.934 1.00 0.00 C ATOM 94 O GLU A 82 -15.115 -0.999 0.232 1.00 0.00 O ATOM 95 CB GLU A 82 -18.124 -1.873 -0.067 1.00 0.00 C ATOM 96 CG GLU A 82 -18.801 -1.315 1.185 1.00 0.00 C ATOM 97 CD GLU A 82 -20.001 -0.458 0.779 1.00 0.00 C ATOM 98 OE1 GLU A 82 -21.002 -1.027 0.376 1.00 0.00 O ATOM 99 OE2 GLU A 82 -19.897 0.754 0.876 1.00 0.00 O ATOM 0 H GLU A 82 -18.152 -3.627 1.715 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.433 -3.113 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.870 -1.061 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -18.808 -2.534 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.126 -2.132 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.092 -0.718 1.759 1.00 0.00 H new ATOM 106 N GLU A 83 -15.796 -1.598 2.230 1.00 0.00 N ATOM 107 CA GLU A 83 -14.835 -0.682 2.893 1.00 0.00 C ATOM 108 C GLU A 83 -13.517 -1.415 3.152 1.00 0.00 C ATOM 109 O GLU A 83 -12.576 -0.850 3.674 1.00 0.00 O ATOM 110 CB GLU A 83 -15.421 -0.203 4.222 1.00 0.00 C ATOM 111 CG GLU A 83 -14.944 1.222 4.506 1.00 0.00 C ATOM 112 CD GLU A 83 -15.960 1.930 5.404 1.00 0.00 C ATOM 113 OE1 GLU A 83 -17.054 2.193 4.934 1.00 0.00 O ATOM 114 OE2 GLU A 83 -15.627 2.198 6.548 1.00 0.00 O ATOM 0 H GLU A 83 -16.385 -2.139 2.864 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.650 0.175 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.510 -0.232 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.113 -0.868 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.968 1.200 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.824 1.770 3.571 1.00 0.00 H new ATOM 121 N GLU A 84 -13.440 -2.669 2.799 1.00 0.00 N ATOM 122 CA GLU A 84 -12.182 -3.431 3.033 1.00 0.00 C ATOM 123 C GLU A 84 -11.018 -2.732 2.326 1.00 0.00 C ATOM 124 O GLU A 84 -9.886 -2.802 2.761 1.00 0.00 O ATOM 125 CB GLU A 84 -12.332 -4.848 2.477 1.00 0.00 C ATOM 126 CG GLU A 84 -12.171 -5.862 3.612 1.00 0.00 C ATOM 127 CD GLU A 84 -10.807 -6.545 3.497 1.00 0.00 C ATOM 128 OE1 GLU A 84 -10.553 -7.145 2.465 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.041 -6.460 4.443 1.00 0.00 O ATOM 0 H GLU A 84 -14.193 -3.198 2.359 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.983 -3.477 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.309 -4.964 2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.584 -5.028 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.259 -5.361 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.967 -6.605 3.565 1.00 0.00 H new ATOM 136 N ILE A 85 -11.284 -2.064 1.238 1.00 0.00 N ATOM 137 CA ILE A 85 -10.190 -1.372 0.505 1.00 0.00 C ATOM 138 C ILE A 85 -9.930 -0.002 1.130 1.00 0.00 C ATOM 139 O ILE A 85 -8.800 0.421 1.272 1.00 0.00 O ATOM 140 CB ILE A 85 -10.589 -1.196 -0.960 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.933 -2.555 -1.559 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.426 -0.575 -1.736 1.00 0.00 C ATOM 143 CD1 ILE A 85 -12.323 -2.495 -2.194 1.00 0.00 C ATOM 0 H ILE A 85 -12.212 -1.968 0.826 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.282 -1.972 0.567 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.457 -0.540 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.191 -2.833 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.908 -3.322 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.711 -0.450 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.181 0.397 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.556 -1.229 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.570 -3.466 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -13.060 -2.236 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.332 -1.739 -2.979 1.00 0.00 H new ATOM 155 N ARG A 86 -10.965 0.700 1.501 1.00 0.00 N ATOM 156 CA ARG A 86 -10.771 2.045 2.112 1.00 0.00 C ATOM 157 C ARG A 86 -9.910 1.918 3.370 1.00 0.00 C ATOM 158 O ARG A 86 -9.113 2.782 3.676 1.00 0.00 O ATOM 159 CB ARG A 86 -12.132 2.640 2.481 1.00 0.00 C ATOM 160 CG ARG A 86 -12.560 3.637 1.401 1.00 0.00 C ATOM 161 CD ARG A 86 -13.815 4.383 1.861 1.00 0.00 C ATOM 162 NE ARG A 86 -14.456 5.040 0.687 1.00 0.00 N ATOM 163 CZ ARG A 86 -15.337 4.390 -0.024 1.00 0.00 C ATOM 164 NH1 ARG A 86 -15.351 3.085 -0.013 1.00 0.00 N ATOM 165 NH2 ARG A 86 -16.201 5.045 -0.750 1.00 0.00 N ATOM 0 H ARG A 86 -11.936 0.401 1.408 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.271 2.698 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.874 1.847 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.073 3.138 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.755 4.345 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.758 3.113 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.513 3.689 2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.554 5.129 2.612 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.206 5.997 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.673 2.572 0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.040 2.578 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.188 6.065 -0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.889 4.537 -1.306 1.00 0.00 H new ATOM 179 N GLU A 87 -10.062 0.848 4.100 1.00 0.00 N ATOM 180 CA GLU A 87 -9.249 0.671 5.337 1.00 0.00 C ATOM 181 C GLU A 87 -7.920 0.009 4.985 1.00 0.00 C ATOM 182 O GLU A 87 -6.914 0.259 5.611 1.00 0.00 O ATOM 183 CB GLU A 87 -10.010 -0.207 6.332 1.00 0.00 C ATOM 184 CG GLU A 87 -10.197 -1.605 5.739 1.00 0.00 C ATOM 185 CD GLU A 87 -9.004 -2.486 6.116 1.00 0.00 C ATOM 186 OE1 GLU A 87 -8.788 -2.682 7.300 1.00 0.00 O ATOM 187 OE2 GLU A 87 -8.326 -2.949 5.213 1.00 0.00 O ATOM 0 H GLU A 87 -10.712 0.090 3.895 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.061 1.646 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.462 -0.269 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.980 0.237 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.121 -2.048 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.287 -1.542 4.655 1.00 0.00 H new ATOM 194 N ALA A 88 -7.902 -0.828 3.986 1.00 0.00 N ATOM 195 CA ALA A 88 -6.625 -1.483 3.602 1.00 0.00 C ATOM 196 C ALA A 88 -5.648 -0.403 3.138 1.00 0.00 C ATOM 197 O ALA A 88 -4.447 -0.535 3.268 1.00 0.00 O ATOM 198 CB ALA A 88 -6.877 -2.476 2.465 1.00 0.00 C ATOM 0 H ALA A 88 -8.712 -1.085 3.422 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.209 -2.022 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.939 -2.955 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.587 -3.234 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.285 -1.947 1.604 1.00 0.00 H new ATOM 204 N PHE A 89 -6.161 0.674 2.604 1.00 0.00 N ATOM 205 CA PHE A 89 -5.279 1.773 2.140 1.00 0.00 C ATOM 206 C PHE A 89 -4.595 2.414 3.336 1.00 0.00 C ATOM 207 O PHE A 89 -3.390 2.549 3.376 1.00 0.00 O ATOM 208 CB PHE A 89 -6.107 2.838 1.428 1.00 0.00 C ATOM 209 CG PHE A 89 -5.200 3.987 1.072 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.325 3.860 -0.006 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.230 5.174 1.817 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.475 4.914 -0.352 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.379 6.234 1.474 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.500 6.104 0.387 1.00 0.00 C ATOM 0 H PHE A 89 -7.159 0.836 2.471 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.536 1.363 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.565 2.424 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.918 3.180 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.304 2.943 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.907 5.272 2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.799 4.811 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.400 7.150 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.844 6.920 0.121 1.00 0.00 H new ATOM 224 N ARG A 90 -5.361 2.816 4.306 1.00 0.00 N ATOM 225 CA ARG A 90 -4.770 3.459 5.506 1.00 0.00 C ATOM 226 C ARG A 90 -3.927 2.431 6.259 1.00 0.00 C ATOM 227 O ARG A 90 -2.996 2.769 6.962 1.00 0.00 O ATOM 228 CB ARG A 90 -5.898 3.965 6.401 1.00 0.00 C ATOM 229 CG ARG A 90 -5.839 5.490 6.482 1.00 0.00 C ATOM 230 CD ARG A 90 -7.125 6.020 7.119 1.00 0.00 C ATOM 231 NE ARG A 90 -7.367 5.317 8.413 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.964 5.939 9.393 1.00 0.00 C ATOM 233 NH1 ARG A 90 -9.033 6.652 9.160 1.00 0.00 N ATOM 234 NH2 ARG A 90 -7.497 5.845 10.608 1.00 0.00 N ATOM 0 H ARG A 90 -6.377 2.726 4.319 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.137 4.297 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.862 3.648 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.807 3.533 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.975 5.800 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.714 5.913 5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.045 7.094 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.968 5.864 6.445 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.066 4.350 8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.402 6.723 8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.499 7.138 9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.665 5.285 10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.964 6.332 11.373 1.00 0.00 H new ATOM 248 N VAL A 91 -4.234 1.172 6.097 1.00 0.00 N ATOM 249 CA VAL A 91 -3.439 0.120 6.782 1.00 0.00 C ATOM 250 C VAL A 91 -1.968 0.358 6.444 1.00 0.00 C ATOM 251 O VAL A 91 -1.074 -0.019 7.175 1.00 0.00 O ATOM 252 CB VAL A 91 -3.895 -1.258 6.281 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.766 -2.281 6.419 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.095 -1.724 7.108 1.00 0.00 C ATOM 0 H VAL A 91 -5.002 0.829 5.519 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.579 0.156 7.862 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.170 -1.175 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.108 -3.251 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.908 -1.957 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.476 -2.364 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.422 -2.702 6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.809 -1.794 8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.910 -1.009 7.001 1.00 0.00 H new ATOM 264 N PHE A 92 -1.723 1.002 5.339 1.00 0.00 N ATOM 265 CA PHE A 92 -0.328 1.302 4.929 1.00 0.00 C ATOM 266 C PHE A 92 -0.087 2.801 5.104 1.00 0.00 C ATOM 267 O PHE A 92 1.014 3.244 5.363 1.00 0.00 O ATOM 268 CB PHE A 92 -0.145 0.934 3.458 1.00 0.00 C ATOM 269 CG PHE A 92 -0.100 -0.567 3.303 1.00 0.00 C ATOM 270 CD1 PHE A 92 1.117 -1.247 3.426 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.276 -1.278 3.032 1.00 0.00 C ATOM 272 CE1 PHE A 92 1.159 -2.638 3.279 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.234 -2.669 2.885 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.016 -3.349 3.008 1.00 0.00 C ATOM 0 H PHE A 92 -2.440 1.337 4.696 1.00 0.00 H new ATOM 0 HA PHE A 92 0.375 0.731 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.964 1.344 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.776 1.375 3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.024 -0.698 3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.215 -0.753 2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.098 -3.163 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.141 -3.218 2.677 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.017 -4.422 2.894 1.00 0.00 H new ATOM 284 N ASP A 93 -1.122 3.580 4.955 1.00 0.00 N ATOM 285 CA ASP A 93 -0.997 5.053 5.097 1.00 0.00 C ATOM 286 C ASP A 93 -1.369 5.462 6.526 1.00 0.00 C ATOM 287 O ASP A 93 -2.443 5.972 6.779 1.00 0.00 O ATOM 288 CB ASP A 93 -1.954 5.714 4.107 1.00 0.00 C ATOM 289 CG ASP A 93 -1.594 7.192 3.946 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.468 7.544 4.256 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.452 7.946 3.517 1.00 0.00 O ATOM 0 H ASP A 93 -2.063 3.251 4.738 1.00 0.00 H new ATOM 0 HA ASP A 93 0.027 5.367 4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.899 5.210 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.981 5.617 4.460 1.00 0.00 H new ATOM 296 N LYS A 94 -0.490 5.233 7.462 1.00 0.00 N ATOM 297 CA LYS A 94 -0.782 5.595 8.877 1.00 0.00 C ATOM 298 C LYS A 94 -0.552 7.088 9.092 1.00 0.00 C ATOM 299 O LYS A 94 -0.991 7.661 10.068 1.00 0.00 O ATOM 300 CB LYS A 94 0.159 4.821 9.789 1.00 0.00 C ATOM 301 CG LYS A 94 -0.059 3.318 9.601 1.00 0.00 C ATOM 302 CD LYS A 94 -0.883 2.772 10.770 1.00 0.00 C ATOM 303 CE LYS A 94 0.006 2.654 12.011 1.00 0.00 C ATOM 304 NZ LYS A 94 -0.831 2.297 13.191 1.00 0.00 N ATOM 0 H LYS A 94 0.424 4.808 7.306 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.820 5.351 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.194 5.079 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.018 5.097 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.575 3.129 8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.901 2.804 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.725 3.433 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.297 1.797 10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.772 1.895 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.524 3.596 12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.227 2.217 14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.546 3.037 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.306 1.388 13.018 1.00 0.00 H new ATOM 318 N ASP A 95 0.146 7.716 8.195 1.00 0.00 N ATOM 319 CA ASP A 95 0.422 9.172 8.352 1.00 0.00 C ATOM 320 C ASP A 95 -0.813 9.986 7.948 1.00 0.00 C ATOM 321 O ASP A 95 -0.776 11.201 7.923 1.00 0.00 O ATOM 322 CB ASP A 95 1.605 9.562 7.464 1.00 0.00 C ATOM 323 CG ASP A 95 2.913 9.221 8.180 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.863 8.466 9.138 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.945 9.720 7.759 1.00 0.00 O ATOM 0 H ASP A 95 0.539 7.287 7.357 1.00 0.00 H new ATOM 0 HA ASP A 95 0.661 9.382 9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.550 9.033 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.568 10.628 7.238 1.00 0.00 H new ATOM 330 N GLY A 96 -1.907 9.327 7.652 1.00 0.00 N ATOM 331 CA GLY A 96 -3.154 10.061 7.266 1.00 0.00 C ATOM 332 C GLY A 96 -2.809 11.292 6.423 1.00 0.00 C ATOM 333 O GLY A 96 -3.418 12.335 6.557 1.00 0.00 O ATOM 0 H GLY A 96 -1.991 8.310 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.813 9.400 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.696 10.366 8.161 1.00 0.00 H new ATOM 337 N ASN A 97 -1.838 11.182 5.562 1.00 0.00 N ATOM 338 CA ASN A 97 -1.453 12.347 4.717 1.00 0.00 C ATOM 339 C ASN A 97 -2.198 12.274 3.379 1.00 0.00 C ATOM 340 O ASN A 97 -3.069 13.073 3.096 1.00 0.00 O ATOM 341 CB ASN A 97 0.068 12.312 4.485 1.00 0.00 C ATOM 342 CG ASN A 97 0.433 13.060 3.198 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.208 14.249 3.087 1.00 0.00 O ATOM 344 ND2 ASN A 97 0.994 12.406 2.216 1.00 0.00 N ATOM 0 H ASN A 97 -1.293 10.334 5.406 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.720 13.279 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.582 12.764 5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.408 11.278 4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.243 12.893 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.183 11.408 2.310 1.00 0.00 H new ATOM 351 N GLY A 98 -1.858 11.324 2.557 1.00 0.00 N ATOM 352 CA GLY A 98 -2.536 11.191 1.236 1.00 0.00 C ATOM 353 C GLY A 98 -1.884 10.048 0.461 1.00 0.00 C ATOM 354 O GLY A 98 -2.546 9.154 -0.028 1.00 0.00 O ATOM 0 H GLY A 98 -1.135 10.629 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.599 10.994 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.455 12.122 0.675 1.00 0.00 H new ATOM 358 N TYR A 99 -0.583 10.065 0.359 1.00 0.00 N ATOM 359 CA TYR A 99 0.123 8.979 -0.363 1.00 0.00 C ATOM 360 C TYR A 99 0.884 8.127 0.652 1.00 0.00 C ATOM 361 O TYR A 99 1.231 8.582 1.723 1.00 0.00 O ATOM 362 CB TYR A 99 1.120 9.573 -1.362 1.00 0.00 C ATOM 363 CG TYR A 99 0.420 10.529 -2.291 1.00 0.00 C ATOM 364 CD1 TYR A 99 -0.972 10.494 -2.430 1.00 0.00 C ATOM 365 CD2 TYR A 99 1.173 11.452 -3.016 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.610 11.389 -3.296 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.540 12.347 -3.882 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.853 12.317 -4.025 1.00 0.00 C ATOM 369 OH TYR A 99 -1.479 13.201 -4.880 1.00 0.00 O ATOM 0 H TYR A 99 0.020 10.790 0.748 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.604 8.371 -0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.916 10.091 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.589 8.774 -1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.553 9.777 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.247 11.475 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.684 11.365 -3.403 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.125 13.062 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.808 13.775 -5.305 1.00 0.00 H new ATOM 379 N ILE A 100 1.147 6.899 0.325 1.00 0.00 N ATOM 380 CA ILE A 100 1.885 6.021 1.270 1.00 0.00 C ATOM 381 C ILE A 100 3.390 6.131 1.005 1.00 0.00 C ATOM 382 O ILE A 100 3.856 5.874 -0.088 1.00 0.00 O ATOM 383 CB ILE A 100 1.435 4.582 1.059 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.024 4.444 1.513 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.324 3.645 1.884 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.582 3.090 1.079 1.00 0.00 C ATOM 0 H ILE A 100 0.883 6.462 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 100 1.679 6.327 2.296 1.00 0.00 H new ATOM 0 HB ILE A 100 1.517 4.318 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.087 4.542 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.624 5.247 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.003 2.614 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.361 3.753 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.241 3.901 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.618 3.002 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.536 3.009 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.009 2.292 1.528 1.00 0.00 H new ATOM 398 N SER A 101 4.153 6.507 1.995 1.00 0.00 N ATOM 399 CA SER A 101 5.625 6.627 1.793 1.00 0.00 C ATOM 400 C SER A 101 6.280 5.262 2.007 1.00 0.00 C ATOM 401 O SER A 101 5.637 4.308 2.396 1.00 0.00 O ATOM 402 CB SER A 101 6.201 7.629 2.796 1.00 0.00 C ATOM 403 OG SER A 101 6.174 7.057 4.095 1.00 0.00 O ATOM 0 H SER A 101 3.822 6.736 2.932 1.00 0.00 H new ATOM 0 HA SER A 101 5.824 6.974 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.223 7.890 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.621 8.552 2.780 1.00 0.00 H new ATOM 0 HG SER A 101 6.544 7.695 4.741 1.00 0.00 H new ATOM 409 N ALA A 102 7.555 5.158 1.755 1.00 0.00 N ATOM 410 CA ALA A 102 8.247 3.854 1.944 1.00 0.00 C ATOM 411 C ALA A 102 8.252 3.491 3.429 1.00 0.00 C ATOM 412 O ALA A 102 8.192 2.335 3.795 1.00 0.00 O ATOM 413 CB ALA A 102 9.687 3.962 1.442 1.00 0.00 C ATOM 0 H ALA A 102 8.147 5.920 1.426 1.00 0.00 H new ATOM 0 HA ALA A 102 7.724 3.081 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.193 3.007 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.685 4.221 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.211 4.735 2.004 1.00 0.00 H new ATOM 419 N ALA A 103 8.326 4.469 4.288 1.00 0.00 N ATOM 420 CA ALA A 103 8.338 4.180 5.745 1.00 0.00 C ATOM 421 C ALA A 103 6.949 3.729 6.188 1.00 0.00 C ATOM 422 O ALA A 103 6.805 2.893 7.059 1.00 0.00 O ATOM 423 CB ALA A 103 8.735 5.438 6.519 1.00 0.00 C ATOM 0 H ALA A 103 8.379 5.457 4.041 1.00 0.00 H new ATOM 0 HA ALA A 103 9.060 3.389 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.742 5.221 7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.729 5.759 6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.017 6.232 6.315 1.00 0.00 H new ATOM 429 N GLU A 104 5.923 4.268 5.593 1.00 0.00 N ATOM 430 CA GLU A 104 4.548 3.861 5.981 1.00 0.00 C ATOM 431 C GLU A 104 4.238 2.522 5.319 1.00 0.00 C ATOM 432 O GLU A 104 3.370 1.787 5.749 1.00 0.00 O ATOM 433 CB GLU A 104 3.556 4.919 5.502 1.00 0.00 C ATOM 434 CG GLU A 104 3.846 6.243 6.214 1.00 0.00 C ATOM 435 CD GLU A 104 3.722 6.046 7.726 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.624 5.771 8.179 1.00 0.00 O ATOM 437 OE2 GLU A 104 4.729 6.173 8.403 1.00 0.00 O ATOM 0 H GLU A 104 5.978 4.971 4.856 1.00 0.00 H new ATOM 0 HA GLU A 104 4.470 3.766 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.637 5.048 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.535 4.597 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.848 6.592 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.148 7.010 5.878 1.00 0.00 H new ATOM 444 N LEU A 105 4.950 2.200 4.277 1.00 0.00 N ATOM 445 CA LEU A 105 4.716 0.909 3.578 1.00 0.00 C ATOM 446 C LEU A 105 5.662 -0.151 4.145 1.00 0.00 C ATOM 447 O LEU A 105 5.458 -1.337 3.970 1.00 0.00 O ATOM 448 CB LEU A 105 4.983 1.089 2.083 1.00 0.00 C ATOM 449 CG LEU A 105 4.558 -0.172 1.332 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.150 0.024 0.765 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.536 -0.433 0.184 1.00 0.00 C ATOM 0 H LEU A 105 5.688 2.780 3.878 1.00 0.00 H new ATOM 0 HA LEU A 105 3.684 0.591 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.433 1.952 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.041 1.286 1.913 1.00 0.00 H new ATOM 0 HG LEU A 105 4.561 -1.022 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.845 -0.875 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.452 0.214 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.148 0.873 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.235 -1.332 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.531 0.417 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.540 -0.569 0.585 1.00 0.00 H new ATOM 463 N ARG A 106 6.699 0.265 4.825 1.00 0.00 N ATOM 464 CA ARG A 106 7.656 -0.719 5.402 1.00 0.00 C ATOM 465 C ARG A 106 7.082 -1.275 6.710 1.00 0.00 C ATOM 466 O ARG A 106 7.460 -2.337 7.165 1.00 0.00 O ATOM 467 CB ARG A 106 8.995 -0.013 5.664 1.00 0.00 C ATOM 468 CG ARG A 106 9.782 -0.755 6.747 1.00 0.00 C ATOM 469 CD ARG A 106 11.093 -0.017 7.023 1.00 0.00 C ATOM 470 NE ARG A 106 11.504 -0.243 8.438 1.00 0.00 N ATOM 471 CZ ARG A 106 11.194 0.630 9.356 1.00 0.00 C ATOM 472 NH1 ARG A 106 10.272 1.523 9.122 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.805 0.610 10.509 1.00 0.00 N ATOM 0 H ARG A 106 6.922 1.244 5.004 1.00 0.00 H new ATOM 0 HA ARG A 106 7.815 -1.545 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.579 0.028 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.817 1.016 5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.191 -0.821 7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.988 -1.776 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.871 -0.371 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.968 1.050 6.835 1.00 0.00 H new ATOM 0 HE ARG A 106 12.028 -1.081 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.794 1.538 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.029 2.206 9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.525 -0.089 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.562 1.293 11.227 1.00 0.00 H new ATOM 487 N HIS A 107 6.182 -0.559 7.320 1.00 0.00 N ATOM 488 CA HIS A 107 5.585 -1.032 8.602 1.00 0.00 C ATOM 489 C HIS A 107 4.667 -2.234 8.350 1.00 0.00 C ATOM 490 O HIS A 107 4.474 -3.067 9.214 1.00 0.00 O ATOM 491 CB HIS A 107 4.776 0.109 9.225 1.00 0.00 C ATOM 492 CG HIS A 107 3.981 -0.411 10.392 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.573 -1.080 11.452 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.639 -0.366 10.679 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.598 -1.407 12.320 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.400 -0.996 11.898 1.00 0.00 N ATOM 0 H HIS A 107 5.831 0.338 6.986 1.00 0.00 H new ATOM 0 HA HIS A 107 6.382 -1.338 9.279 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.445 0.904 9.554 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.107 0.542 8.481 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.884 0.089 10.055 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.765 -1.938 13.246 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.503 -1.117 12.367 1.00 0.00 H new ATOM 504 N VAL A 108 4.092 -2.334 7.180 1.00 0.00 N ATOM 505 CA VAL A 108 3.182 -3.481 6.891 1.00 0.00 C ATOM 506 C VAL A 108 3.822 -4.414 5.863 1.00 0.00 C ATOM 507 O VAL A 108 3.472 -5.574 5.760 1.00 0.00 O ATOM 508 CB VAL A 108 1.856 -2.953 6.339 1.00 0.00 C ATOM 509 CG1 VAL A 108 0.991 -4.123 5.866 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.119 -2.186 7.439 1.00 0.00 C ATOM 0 H VAL A 108 4.213 -1.672 6.413 1.00 0.00 H new ATOM 0 HA VAL A 108 3.004 -4.034 7.813 1.00 0.00 H new ATOM 0 HB VAL A 108 2.053 -2.289 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.048 -3.743 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.516 -4.670 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.792 -4.791 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.174 -1.809 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.924 -2.852 8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.733 -1.350 7.774 1.00 0.00 H new ATOM 520 N MET A 109 4.757 -3.925 5.100 1.00 0.00 N ATOM 521 CA MET A 109 5.410 -4.796 4.084 1.00 0.00 C ATOM 522 C MET A 109 6.231 -5.871 4.797 1.00 0.00 C ATOM 523 O MET A 109 6.248 -7.020 4.402 1.00 0.00 O ATOM 524 CB MET A 109 6.329 -3.953 3.197 1.00 0.00 C ATOM 525 CG MET A 109 5.546 -3.459 1.979 1.00 0.00 C ATOM 526 SD MET A 109 5.160 -4.864 0.903 1.00 0.00 S ATOM 527 CE MET A 109 3.371 -4.879 1.176 1.00 0.00 C ATOM 0 H MET A 109 5.097 -2.964 5.135 1.00 0.00 H new ATOM 0 HA MET A 109 4.648 -5.268 3.464 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.719 -3.105 3.760 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.186 -4.545 2.876 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.627 -2.968 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.130 -2.718 1.433 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.002 -5.903 1.112 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.150 -4.475 2.164 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.882 -4.269 0.417 1.00 0.00 H new ATOM 537 N THR A 110 6.915 -5.503 5.844 1.00 0.00 N ATOM 538 CA THR A 110 7.734 -6.486 6.586 1.00 0.00 C ATOM 539 C THR A 110 6.826 -7.412 7.398 1.00 0.00 C ATOM 540 O THR A 110 7.245 -8.457 7.852 1.00 0.00 O ATOM 541 CB THR A 110 8.662 -5.727 7.530 1.00 0.00 C ATOM 542 OG1 THR A 110 8.669 -4.348 7.186 1.00 0.00 O ATOM 543 CG2 THR A 110 10.071 -6.283 7.404 1.00 0.00 C ATOM 0 H THR A 110 6.938 -4.554 6.216 1.00 0.00 H new ATOM 0 HA THR A 110 8.316 -7.087 5.887 1.00 0.00 H new ATOM 0 HB THR A 110 8.310 -5.843 8.555 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.931 -3.893 7.643 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.737 -5.743 8.077 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.070 -7.341 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.419 -6.164 6.378 1.00 0.00 H new ATOM 551 N ASN A 111 5.590 -7.038 7.588 1.00 0.00 N ATOM 552 CA ASN A 111 4.661 -7.899 8.377 1.00 0.00 C ATOM 553 C ASN A 111 4.543 -9.277 7.720 1.00 0.00 C ATOM 554 O ASN A 111 3.665 -9.516 6.914 1.00 0.00 O ATOM 555 CB ASN A 111 3.282 -7.242 8.434 1.00 0.00 C ATOM 556 CG ASN A 111 2.954 -6.868 9.881 1.00 0.00 C ATOM 557 OD1 ASN A 111 2.559 -5.754 10.158 1.00 0.00 O ATOM 558 ND2 ASN A 111 3.105 -7.760 10.821 1.00 0.00 N ATOM 0 H ASN A 111 5.183 -6.174 7.231 1.00 0.00 H new ATOM 0 HA ASN A 111 5.053 -8.016 9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.265 -6.352 7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.526 -7.923 8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.891 -7.522 11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.437 -8.696 10.587 1.00 0.00 H new ATOM 565 N LEU A 112 5.419 -10.185 8.071 1.00 0.00 N ATOM 566 CA LEU A 112 5.380 -11.563 7.492 1.00 0.00 C ATOM 567 C LEU A 112 4.957 -11.524 6.024 1.00 0.00 C ATOM 568 O LEU A 112 4.384 -12.465 5.510 1.00 0.00 O ATOM 569 CB LEU A 112 4.398 -12.424 8.282 1.00 0.00 C ATOM 570 CG LEU A 112 2.979 -11.875 8.124 1.00 0.00 C ATOM 571 CD1 LEU A 112 1.973 -13.019 8.273 1.00 0.00 C ATOM 572 CD2 LEU A 112 2.716 -10.820 9.202 1.00 0.00 C ATOM 0 H LEU A 112 6.170 -10.028 8.743 1.00 0.00 H new ATOM 0 HA LEU A 112 6.380 -11.992 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.440 -13.455 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.677 -12.436 9.336 1.00 0.00 H new ATOM 0 HG LEU A 112 2.872 -11.421 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.961 -12.630 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.160 -13.770 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.081 -13.472 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.705 -10.429 9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.822 -11.273 10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.434 -10.006 9.097 1.00 0.00 H new ATOM 584 N GLY A 113 5.250 -10.459 5.340 1.00 0.00 N ATOM 585 CA GLY A 113 4.880 -10.381 3.902 1.00 0.00 C ATOM 586 C GLY A 113 6.087 -10.795 3.061 1.00 0.00 C ATOM 587 O GLY A 113 5.974 -11.034 1.877 1.00 0.00 O ATOM 0 H GLY A 113 5.729 -9.639 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.033 -11.035 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.571 -9.368 3.646 1.00 0.00 H new ATOM 591 N GLU A 114 7.240 -10.881 3.684 1.00 0.00 N ATOM 592 CA GLU A 114 8.490 -11.278 2.961 1.00 0.00 C ATOM 593 C GLU A 114 9.683 -10.628 3.664 1.00 0.00 C ATOM 594 O GLU A 114 9.560 -10.105 4.753 1.00 0.00 O ATOM 595 CB GLU A 114 8.451 -10.801 1.504 1.00 0.00 C ATOM 596 CG GLU A 114 7.969 -9.351 1.444 1.00 0.00 C ATOM 597 CD GLU A 114 6.943 -9.201 0.321 1.00 0.00 C ATOM 598 OE1 GLU A 114 7.229 -9.639 -0.781 1.00 0.00 O ATOM 599 OE2 GLU A 114 5.885 -8.650 0.582 1.00 0.00 O ATOM 0 H GLU A 114 7.368 -10.690 4.678 1.00 0.00 H new ATOM 0 HA GLU A 114 8.577 -12.364 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.443 -10.882 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.787 -11.439 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.525 -9.064 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.813 -8.683 1.272 1.00 0.00 H new ATOM 606 N LYS A 115 10.834 -10.646 3.052 1.00 0.00 N ATOM 607 CA LYS A 115 12.020 -10.017 3.695 1.00 0.00 C ATOM 608 C LYS A 115 12.531 -8.885 2.806 1.00 0.00 C ATOM 609 O LYS A 115 13.621 -8.938 2.275 1.00 0.00 O ATOM 610 CB LYS A 115 13.119 -11.062 3.887 1.00 0.00 C ATOM 611 CG LYS A 115 14.019 -10.645 5.051 1.00 0.00 C ATOM 612 CD LYS A 115 15.452 -10.472 4.549 1.00 0.00 C ATOM 613 CE LYS A 115 16.250 -11.743 4.845 1.00 0.00 C ATOM 614 NZ LYS A 115 15.914 -12.785 3.834 1.00 0.00 N ATOM 0 H LYS A 115 11.004 -11.067 2.139 1.00 0.00 H new ATOM 0 HA LYS A 115 11.739 -9.617 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.677 -12.038 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.707 -11.159 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.660 -9.713 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.986 -11.398 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.452 -10.270 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.918 -9.615 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.318 -11.529 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.020 -12.105 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.528 -13.613 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.920 -13.069 3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.059 -12.401 2.878 1.00 0.00 H new ATOM 628 N LEU A 116 11.742 -7.862 2.643 1.00 0.00 N ATOM 629 CA LEU A 116 12.162 -6.718 1.792 1.00 0.00 C ATOM 630 C LEU A 116 12.535 -5.529 2.684 1.00 0.00 C ATOM 631 O LEU A 116 11.742 -5.057 3.473 1.00 0.00 O ATOM 632 CB LEU A 116 11.006 -6.345 0.858 1.00 0.00 C ATOM 633 CG LEU A 116 9.859 -5.731 1.660 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.834 -4.220 1.430 1.00 0.00 C ATOM 635 CD2 LEU A 116 8.530 -6.332 1.192 1.00 0.00 C ATOM 0 H LEU A 116 10.818 -7.769 3.066 1.00 0.00 H new ATOM 0 HA LEU A 116 13.032 -6.992 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.352 -5.638 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.656 -7.231 0.328 1.00 0.00 H new ATOM 0 HG LEU A 116 10.003 -5.941 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.017 -3.779 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.780 -3.787 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.688 -4.016 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.711 -5.895 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.387 -6.119 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.544 -7.411 1.346 1.00 0.00 H new ATOM 647 N THR A 117 13.744 -5.051 2.570 1.00 0.00 N ATOM 648 CA THR A 117 14.183 -3.904 3.414 1.00 0.00 C ATOM 649 C THR A 117 13.797 -2.588 2.734 1.00 0.00 C ATOM 650 O THR A 117 12.790 -2.498 2.067 1.00 0.00 O ATOM 651 CB THR A 117 15.702 -3.975 3.613 1.00 0.00 C ATOM 652 OG1 THR A 117 16.070 -3.180 4.733 1.00 0.00 O ATOM 653 CG2 THR A 117 16.416 -3.460 2.364 1.00 0.00 C ATOM 0 H THR A 117 14.450 -5.407 1.925 1.00 0.00 H new ATOM 0 HA THR A 117 13.693 -3.952 4.387 1.00 0.00 H new ATOM 0 HB THR A 117 15.993 -5.011 3.788 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.040 -3.226 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.494 -3.514 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.137 -4.073 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.126 -2.425 2.180 1.00 0.00 H new ATOM 661 N ASP A 118 14.592 -1.568 2.903 1.00 0.00 N ATOM 662 CA ASP A 118 14.274 -0.257 2.270 1.00 0.00 C ATOM 663 C ASP A 118 14.534 -0.330 0.763 1.00 0.00 C ATOM 664 O ASP A 118 13.658 -0.083 -0.042 1.00 0.00 O ATOM 665 CB ASP A 118 15.157 0.826 2.885 1.00 0.00 C ATOM 666 CG ASP A 118 14.455 1.436 4.098 1.00 0.00 C ATOM 667 OD1 ASP A 118 13.679 2.358 3.905 1.00 0.00 O ATOM 668 OD2 ASP A 118 14.704 0.972 5.198 1.00 0.00 O ATOM 0 H ASP A 118 15.450 -1.586 3.454 1.00 0.00 H new ATOM 0 HA ASP A 118 13.224 -0.019 2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.116 0.401 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.367 1.600 2.147 1.00 0.00 H new ATOM 673 N GLU A 119 15.737 -0.657 0.378 1.00 0.00 N ATOM 674 CA GLU A 119 16.065 -0.736 -1.074 1.00 0.00 C ATOM 675 C GLU A 119 15.055 -1.635 -1.791 1.00 0.00 C ATOM 676 O GLU A 119 14.886 -1.562 -2.992 1.00 0.00 O ATOM 677 CB GLU A 119 17.475 -1.303 -1.244 1.00 0.00 C ATOM 678 CG GLU A 119 18.331 -0.315 -2.038 1.00 0.00 C ATOM 679 CD GLU A 119 17.942 -0.376 -3.516 1.00 0.00 C ATOM 680 OE1 GLU A 119 16.767 -0.227 -3.806 1.00 0.00 O ATOM 681 OE2 GLU A 119 18.828 -0.570 -4.334 1.00 0.00 O ATOM 0 H GLU A 119 16.509 -0.874 1.008 1.00 0.00 H new ATOM 0 HA GLU A 119 16.019 0.262 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.924 -1.487 -0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.433 -2.261 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 119 18.189 0.696 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 119 19.388 -0.555 -1.919 1.00 0.00 H new ATOM 688 N GLU A 120 14.381 -2.477 -1.063 1.00 0.00 N ATOM 689 CA GLU A 120 13.378 -3.377 -1.685 1.00 0.00 C ATOM 690 C GLU A 120 12.027 -2.673 -1.688 1.00 0.00 C ATOM 691 O GLU A 120 11.267 -2.755 -2.629 1.00 0.00 O ATOM 692 CB GLU A 120 13.281 -4.637 -0.842 1.00 0.00 C ATOM 693 CG GLU A 120 14.680 -5.057 -0.419 1.00 0.00 C ATOM 694 CD GLU A 120 15.545 -5.289 -1.660 1.00 0.00 C ATOM 695 OE1 GLU A 120 15.008 -5.742 -2.657 1.00 0.00 O ATOM 696 OE2 GLU A 120 16.731 -5.010 -1.591 1.00 0.00 O ATOM 0 H GLU A 120 14.484 -2.580 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 120 13.667 -3.628 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.660 -4.456 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.804 -5.435 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.127 -4.287 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.632 -5.967 0.178 1.00 0.00 H new ATOM 703 N VAL A 121 11.733 -1.985 -0.624 1.00 0.00 N ATOM 704 CA VAL A 121 10.434 -1.256 -0.527 1.00 0.00 C ATOM 705 C VAL A 121 10.194 -0.458 -1.812 1.00 0.00 C ATOM 706 O VAL A 121 9.234 -0.680 -2.519 1.00 0.00 O ATOM 707 CB VAL A 121 10.477 -0.295 0.671 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.357 0.743 0.550 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.291 -1.085 1.968 1.00 0.00 C ATOM 0 H VAL A 121 12.339 -1.894 0.191 1.00 0.00 H new ATOM 0 HA VAL A 121 9.625 -1.974 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 121 11.441 0.213 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.395 1.420 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.486 1.312 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.392 0.237 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.322 -0.402 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.329 -1.596 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.090 -1.820 2.064 1.00 0.00 H new ATOM 719 N ASP A 122 11.055 0.478 -2.111 1.00 0.00 N ATOM 720 CA ASP A 122 10.877 1.303 -3.342 1.00 0.00 C ATOM 721 C ASP A 122 10.436 0.414 -4.504 1.00 0.00 C ATOM 722 O ASP A 122 9.681 0.831 -5.355 1.00 0.00 O ATOM 723 CB ASP A 122 12.200 1.985 -3.696 1.00 0.00 C ATOM 724 CG ASP A 122 11.960 3.048 -4.770 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.809 3.281 -5.098 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.932 3.612 -5.244 1.00 0.00 O ATOM 0 H ASP A 122 11.878 0.708 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 122 10.114 2.059 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.633 2.443 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.917 1.246 -4.055 1.00 0.00 H new ATOM 731 N GLU A 123 10.898 -0.803 -4.549 1.00 0.00 N ATOM 732 CA GLU A 123 10.493 -1.709 -5.662 1.00 0.00 C ATOM 733 C GLU A 123 9.045 -2.167 -5.431 1.00 0.00 C ATOM 734 O GLU A 123 8.230 -2.166 -6.332 1.00 0.00 O ATOM 735 CB GLU A 123 11.466 -2.909 -5.716 1.00 0.00 C ATOM 736 CG GLU A 123 10.744 -4.235 -5.433 1.00 0.00 C ATOM 737 CD GLU A 123 11.704 -5.402 -5.672 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.882 -5.240 -5.397 1.00 0.00 O ATOM 739 OE2 GLU A 123 11.246 -6.436 -6.128 1.00 0.00 O ATOM 0 H GLU A 123 11.537 -1.210 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 123 10.539 -1.190 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.937 -2.953 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.263 -2.765 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 123 10.383 -4.252 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.871 -4.331 -6.079 1.00 0.00 H new ATOM 746 N MET A 124 8.720 -2.552 -4.225 1.00 0.00 N ATOM 747 CA MET A 124 7.331 -2.997 -3.934 1.00 0.00 C ATOM 748 C MET A 124 6.376 -1.839 -4.216 1.00 0.00 C ATOM 749 O MET A 124 5.194 -2.027 -4.431 1.00 0.00 O ATOM 750 CB MET A 124 7.232 -3.419 -2.470 1.00 0.00 C ATOM 751 CG MET A 124 8.173 -4.600 -2.219 1.00 0.00 C ATOM 752 SD MET A 124 7.599 -6.039 -3.158 1.00 0.00 S ATOM 753 CE MET A 124 6.583 -6.774 -1.852 1.00 0.00 C ATOM 0 H MET A 124 9.359 -2.577 -3.430 1.00 0.00 H new ATOM 0 HA MET A 124 7.066 -3.847 -4.563 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.496 -2.584 -1.820 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.206 -3.699 -2.229 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.189 -4.339 -2.517 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.203 -4.835 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.240 -7.759 -2.169 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.175 -6.872 -0.942 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.722 -6.135 -1.658 1.00 0.00 H new ATOM 763 N ILE A 125 6.889 -0.640 -4.230 1.00 0.00 N ATOM 764 CA ILE A 125 6.042 0.542 -4.514 1.00 0.00 C ATOM 765 C ILE A 125 5.992 0.759 -6.026 1.00 0.00 C ATOM 766 O ILE A 125 4.975 1.111 -6.585 1.00 0.00 O ATOM 767 CB ILE A 125 6.650 1.779 -3.854 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.497 1.666 -2.329 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.921 3.025 -4.371 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.526 3.057 -1.684 1.00 0.00 C ATOM 0 H ILE A 125 7.872 -0.431 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 125 5.038 0.377 -4.122 1.00 0.00 H new ATOM 0 HB ILE A 125 7.710 1.856 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.559 1.166 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.300 1.052 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.347 3.915 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.035 3.091 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.862 2.957 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.416 2.960 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.475 3.543 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.707 3.658 -2.079 1.00 0.00 H new ATOM 782 N ARG A 126 7.098 0.552 -6.680 1.00 0.00 N ATOM 783 CA ARG A 126 7.157 0.738 -8.159 1.00 0.00 C ATOM 784 C ARG A 126 6.062 -0.097 -8.827 1.00 0.00 C ATOM 785 O ARG A 126 5.687 0.147 -9.956 1.00 0.00 O ATOM 786 CB ARG A 126 8.524 0.278 -8.674 1.00 0.00 C ATOM 787 CG ARG A 126 9.420 1.493 -8.932 1.00 0.00 C ATOM 788 CD ARG A 126 9.373 1.858 -10.419 1.00 0.00 C ATOM 789 NE ARG A 126 10.751 1.815 -10.988 1.00 0.00 N ATOM 790 CZ ARG A 126 11.399 2.925 -11.216 1.00 0.00 C ATOM 791 NH1 ARG A 126 11.481 3.836 -10.285 1.00 0.00 N ATOM 792 NH2 ARG A 126 11.966 3.126 -12.376 1.00 0.00 N ATOM 0 H ARG A 126 7.975 0.258 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 126 7.008 1.791 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.993 -0.383 -7.945 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.402 -0.296 -9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.087 2.338 -8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.445 1.272 -8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.726 1.163 -10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.947 2.853 -10.546 1.00 0.00 H new ATOM 0 HE ARG A 126 11.187 0.918 -11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.039 3.681 -9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.987 4.703 -10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.903 2.415 -13.105 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.472 3.994 -12.553 1.00 0.00 H new ATOM 806 N GLU A 127 5.545 -1.078 -8.139 1.00 0.00 N ATOM 807 CA GLU A 127 4.474 -1.924 -8.738 1.00 0.00 C ATOM 808 C GLU A 127 3.115 -1.301 -8.428 1.00 0.00 C ATOM 809 O GLU A 127 2.181 -1.399 -9.199 1.00 0.00 O ATOM 810 CB GLU A 127 4.535 -3.330 -8.142 1.00 0.00 C ATOM 811 CG GLU A 127 5.991 -3.792 -8.067 1.00 0.00 C ATOM 812 CD GLU A 127 6.176 -5.038 -8.934 1.00 0.00 C ATOM 813 OE1 GLU A 127 5.178 -5.646 -9.284 1.00 0.00 O ATOM 814 OE2 GLU A 127 7.313 -5.364 -9.232 1.00 0.00 O ATOM 0 H GLU A 127 5.818 -1.330 -7.189 1.00 0.00 H new ATOM 0 HA GLU A 127 4.617 -1.984 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.090 -3.334 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.955 -4.021 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.654 -2.997 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.261 -4.011 -7.034 1.00 0.00 H new ATOM 821 N ALA A 128 3.001 -0.657 -7.303 1.00 0.00 N ATOM 822 CA ALA A 128 1.709 -0.020 -6.934 1.00 0.00 C ATOM 823 C ALA A 128 1.685 1.416 -7.463 1.00 0.00 C ATOM 824 O ALA A 128 0.692 2.108 -7.363 1.00 0.00 O ATOM 825 CB ALA A 128 1.577 -0.006 -5.412 1.00 0.00 C ATOM 0 H ALA A 128 3.750 -0.544 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 128 0.881 -0.580 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.632 0.460 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.603 -1.028 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.402 0.561 -4.980 1.00 0.00 H new ATOM 831 N ASP A 129 2.772 1.867 -8.027 1.00 0.00 N ATOM 832 CA ASP A 129 2.815 3.254 -8.566 1.00 0.00 C ATOM 833 C ASP A 129 2.492 3.228 -10.059 1.00 0.00 C ATOM 834 O ASP A 129 3.014 2.419 -10.802 1.00 0.00 O ATOM 835 CB ASP A 129 4.213 3.839 -8.356 1.00 0.00 C ATOM 836 CG ASP A 129 4.424 4.142 -6.872 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.977 3.351 -6.058 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.028 5.159 -6.575 1.00 0.00 O ATOM 0 H ASP A 129 3.634 1.333 -8.138 1.00 0.00 H new ATOM 0 HA ASP A 129 2.082 3.870 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.969 3.136 -8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.329 4.750 -8.944 1.00 0.00 H new ATOM 843 N ILE A 130 1.637 4.103 -10.509 1.00 0.00 N ATOM 844 CA ILE A 130 1.284 4.124 -11.951 1.00 0.00 C ATOM 845 C ILE A 130 2.329 4.928 -12.716 1.00 0.00 C ATOM 846 O ILE A 130 2.860 4.491 -13.718 1.00 0.00 O ATOM 847 CB ILE A 130 -0.083 4.776 -12.116 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.089 4.053 -11.231 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.527 4.681 -13.576 1.00 0.00 C ATOM 850 CD1 ILE A 130 -1.071 2.570 -11.571 1.00 0.00 C ATOM 0 H ILE A 130 1.168 4.805 -9.937 1.00 0.00 H new ATOM 0 HA ILE A 130 1.256 3.107 -12.341 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.024 5.825 -11.827 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.841 4.201 -10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.088 4.462 -11.384 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.505 5.148 -13.690 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.196 5.194 -14.210 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.589 3.633 -13.870 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.789 2.044 -10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.339 2.434 -12.619 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.073 2.169 -11.396 1.00 0.00 H new ATOM 862 N ASP A 131 2.627 6.101 -12.245 1.00 0.00 N ATOM 863 CA ASP A 131 3.639 6.948 -12.932 1.00 0.00 C ATOM 864 C ASP A 131 5.039 6.450 -12.571 1.00 0.00 C ATOM 865 O ASP A 131 5.897 6.314 -13.419 1.00 0.00 O ATOM 866 CB ASP A 131 3.481 8.403 -12.486 1.00 0.00 C ATOM 867 CG ASP A 131 2.966 9.242 -13.658 1.00 0.00 C ATOM 868 OD1 ASP A 131 2.606 8.658 -14.667 1.00 0.00 O ATOM 869 OD2 ASP A 131 2.938 10.455 -13.526 1.00 0.00 O ATOM 0 H ASP A 131 2.212 6.514 -11.410 1.00 0.00 H new ATOM 0 HA ASP A 131 3.495 6.887 -14.011 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.787 8.464 -11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.437 8.794 -12.137 1.00 0.00 H new ATOM 874 N GLY A 132 5.279 6.174 -11.317 1.00 0.00 N ATOM 875 CA GLY A 132 6.626 5.685 -10.913 1.00 0.00 C ATOM 876 C GLY A 132 7.367 6.799 -10.176 1.00 0.00 C ATOM 877 O GLY A 132 8.576 6.905 -10.244 1.00 0.00 O ATOM 0 H GLY A 132 4.603 6.266 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.530 4.809 -10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.192 5.375 -11.792 1.00 0.00 H new ATOM 881 N ASP A 133 6.650 7.630 -9.472 1.00 0.00 N ATOM 882 CA ASP A 133 7.314 8.739 -8.731 1.00 0.00 C ATOM 883 C ASP A 133 7.912 8.198 -7.438 1.00 0.00 C ATOM 884 O ASP A 133 8.888 8.712 -6.928 1.00 0.00 O ATOM 885 CB ASP A 133 6.298 9.833 -8.410 1.00 0.00 C ATOM 886 CG ASP A 133 4.963 9.204 -8.008 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.983 8.108 -7.476 1.00 0.00 O ATOM 888 OD2 ASP A 133 3.943 9.831 -8.242 1.00 0.00 O ATOM 0 H ASP A 133 5.635 7.590 -9.378 1.00 0.00 H new ATOM 0 HA ASP A 133 8.106 9.161 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.671 10.462 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.159 10.478 -9.278 1.00 0.00 H new ATOM 893 N GLY A 134 7.347 7.153 -6.916 1.00 0.00 N ATOM 894 CA GLY A 134 7.897 6.561 -5.662 1.00 0.00 C ATOM 895 C GLY A 134 6.835 6.539 -4.558 1.00 0.00 C ATOM 896 O GLY A 134 6.980 5.850 -3.568 1.00 0.00 O ATOM 0 H GLY A 134 6.529 6.680 -7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.247 5.547 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.760 7.138 -5.331 1.00 0.00 H new ATOM 900 N GLN A 135 5.774 7.282 -4.703 1.00 0.00 N ATOM 901 CA GLN A 135 4.729 7.282 -3.640 1.00 0.00 C ATOM 902 C GLN A 135 3.476 6.561 -4.151 1.00 0.00 C ATOM 903 O GLN A 135 3.314 6.346 -5.336 1.00 0.00 O ATOM 904 CB GLN A 135 4.384 8.732 -3.258 1.00 0.00 C ATOM 905 CG GLN A 135 3.338 9.292 -4.222 1.00 0.00 C ATOM 906 CD GLN A 135 3.693 10.732 -4.591 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.805 11.173 -4.378 1.00 0.00 O ATOM 908 NE2 GLN A 135 2.785 11.485 -5.143 1.00 0.00 N ATOM 0 H GLN A 135 5.585 7.885 -5.504 1.00 0.00 H new ATOM 0 HA GLN A 135 5.105 6.761 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.005 8.767 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.283 9.348 -3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.292 8.677 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.351 9.258 -3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.852 11.112 -5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.007 12.448 -5.398 1.00 0.00 H new ATOM 917 N VAL A 136 2.586 6.197 -3.269 1.00 0.00 N ATOM 918 CA VAL A 136 1.345 5.507 -3.712 1.00 0.00 C ATOM 919 C VAL A 136 0.137 6.325 -3.250 1.00 0.00 C ATOM 920 O VAL A 136 0.249 7.179 -2.396 1.00 0.00 O ATOM 921 CB VAL A 136 1.288 4.110 -3.089 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.089 3.496 -3.342 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.367 3.225 -3.722 1.00 0.00 C ATOM 0 H VAL A 136 2.665 6.348 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 136 1.337 5.414 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 136 1.462 4.182 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.131 2.501 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.856 4.126 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.263 3.423 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.327 2.230 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.194 3.152 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.349 3.663 -3.542 1.00 0.00 H new ATOM 933 N ASN A 137 -1.017 6.078 -3.803 1.00 0.00 N ATOM 934 CA ASN A 137 -2.219 6.846 -3.375 1.00 0.00 C ATOM 935 C ASN A 137 -3.380 5.873 -3.186 1.00 0.00 C ATOM 936 O ASN A 137 -3.198 4.673 -3.182 1.00 0.00 O ATOM 937 CB ASN A 137 -2.604 7.890 -4.429 1.00 0.00 C ATOM 938 CG ASN A 137 -1.589 7.907 -5.571 1.00 0.00 C ATOM 939 OD1 ASN A 137 -0.395 7.927 -5.346 1.00 0.00 O ATOM 940 ND2 ASN A 137 -2.022 7.902 -6.799 1.00 0.00 N ATOM 0 H ASN A 137 -1.180 5.381 -4.530 1.00 0.00 H new ATOM 0 HA ASN A 137 -1.995 7.363 -2.442 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.596 7.668 -4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.657 8.876 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.359 7.915 -7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.025 7.885 -6.986 1.00 0.00 H new ATOM 947 N TYR A 138 -4.573 6.373 -3.031 1.00 0.00 N ATOM 948 CA TYR A 138 -5.730 5.464 -2.834 1.00 0.00 C ATOM 949 C TYR A 138 -6.197 4.907 -4.179 1.00 0.00 C ATOM 950 O TYR A 138 -6.608 3.770 -4.276 1.00 0.00 O ATOM 951 CB TYR A 138 -6.874 6.228 -2.183 1.00 0.00 C ATOM 952 CG TYR A 138 -8.055 5.304 -2.049 1.00 0.00 C ATOM 953 CD1 TYR A 138 -7.988 4.228 -1.163 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.203 5.511 -2.819 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.072 3.353 -1.039 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.292 4.636 -2.698 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.225 3.555 -1.808 1.00 0.00 C ATOM 958 OH TYR A 138 -11.295 2.692 -1.690 1.00 0.00 O ATOM 0 H TYR A 138 -4.795 7.369 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.424 4.639 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.572 6.600 -1.204 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.140 7.097 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.098 4.071 -0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.251 6.343 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.020 2.522 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.181 4.795 -3.290 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.013 2.977 -2.293 1.00 0.00 H new ATOM 968 N GLU A 139 -6.147 5.698 -5.213 1.00 0.00 N ATOM 969 CA GLU A 139 -6.595 5.204 -6.542 1.00 0.00 C ATOM 970 C GLU A 139 -5.618 4.138 -7.042 1.00 0.00 C ATOM 971 O GLU A 139 -6.001 3.187 -7.695 1.00 0.00 O ATOM 972 CB GLU A 139 -6.634 6.372 -7.531 1.00 0.00 C ATOM 973 CG GLU A 139 -8.081 6.826 -7.736 1.00 0.00 C ATOM 974 CD GLU A 139 -8.580 6.340 -9.098 1.00 0.00 C ATOM 975 OE1 GLU A 139 -8.409 7.066 -10.062 1.00 0.00 O ATOM 976 OE2 GLU A 139 -9.122 5.248 -9.152 1.00 0.00 O ATOM 0 H GLU A 139 -5.816 6.663 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.591 4.770 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.033 7.200 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.199 6.069 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.714 6.429 -6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.144 7.913 -7.680 1.00 0.00 H new ATOM 983 N GLU A 140 -4.360 4.285 -6.733 1.00 0.00 N ATOM 984 CA GLU A 140 -3.362 3.274 -7.182 1.00 0.00 C ATOM 985 C GLU A 140 -3.359 2.109 -6.195 1.00 0.00 C ATOM 986 O GLU A 140 -3.179 0.967 -6.566 1.00 0.00 O ATOM 987 CB GLU A 140 -1.970 3.910 -7.235 1.00 0.00 C ATOM 988 CG GLU A 140 -2.078 5.343 -7.761 1.00 0.00 C ATOM 989 CD GLU A 140 -2.586 5.330 -9.205 1.00 0.00 C ATOM 990 OE1 GLU A 140 -3.150 4.328 -9.606 1.00 0.00 O ATOM 991 OE2 GLU A 140 -2.402 6.327 -9.884 1.00 0.00 O ATOM 0 H GLU A 140 -3.980 5.060 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.625 2.914 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.521 3.910 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.316 3.324 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.756 5.920 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.105 5.832 -7.713 1.00 0.00 H new ATOM 998 N PHE A 141 -3.565 2.392 -4.938 1.00 0.00 N ATOM 999 CA PHE A 141 -3.588 1.307 -3.922 1.00 0.00 C ATOM 1000 C PHE A 141 -4.872 0.497 -4.083 1.00 0.00 C ATOM 1001 O PHE A 141 -4.952 -0.645 -3.679 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.562 1.935 -2.532 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.874 0.885 -1.493 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.205 0.547 -1.218 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.834 0.259 -0.799 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.495 -0.420 -0.251 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -3.123 -0.708 0.171 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.455 -1.048 0.445 1.00 0.00 C ATOM 0 H PHE A 141 -3.719 3.331 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.725 0.655 -4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.583 2.372 -2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.290 2.745 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -6.007 1.033 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.808 0.521 -1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.521 -0.683 -0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.320 -1.192 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.679 -1.794 1.193 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.881 1.083 -4.663 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.165 0.351 -4.843 1.00 0.00 C ATOM 1020 C VAL A 142 -7.023 -0.668 -5.974 1.00 0.00 C ATOM 1021 O VAL A 142 -7.203 -1.851 -5.778 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.274 1.347 -5.193 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.515 0.583 -5.660 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.622 2.179 -3.956 1.00 0.00 C ATOM 0 H VAL A 142 -5.872 2.038 -5.021 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.417 -0.168 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.932 2.007 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.305 1.291 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.267 -0.010 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.857 -0.077 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.411 2.888 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -8.965 1.520 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.738 2.722 -3.623 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.710 -0.216 -7.155 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.570 -1.156 -8.305 1.00 0.00 C ATOM 1036 C GLN A 143 -5.594 -2.286 -7.960 1.00 0.00 C ATOM 1037 O GLN A 143 -5.637 -3.350 -8.545 1.00 0.00 O ATOM 1038 CB GLN A 143 -6.038 -0.392 -9.521 1.00 0.00 C ATOM 1039 CG GLN A 143 -6.870 0.873 -9.739 1.00 0.00 C ATOM 1040 CD GLN A 143 -6.640 1.394 -11.159 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -7.568 1.804 -11.828 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.431 1.398 -11.651 1.00 0.00 N ATOM 0 H GLN A 143 -6.544 0.766 -7.376 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.547 -1.586 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -4.991 -0.129 -9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -6.081 -1.025 -10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.927 0.657 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.592 1.635 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.651 1.054 -11.091 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.266 1.745 -12.596 1.00 0.00 H new ATOM 1051 N MET A 144 -4.703 -2.063 -7.036 1.00 0.00 N ATOM 1052 CA MET A 144 -3.718 -3.128 -6.687 1.00 0.00 C ATOM 1053 C MET A 144 -4.249 -4.017 -5.556 1.00 0.00 C ATOM 1054 O MET A 144 -4.010 -5.207 -5.532 1.00 0.00 O ATOM 1055 CB MET A 144 -2.408 -2.475 -6.243 1.00 0.00 C ATOM 1056 CG MET A 144 -1.517 -2.242 -7.466 1.00 0.00 C ATOM 1057 SD MET A 144 -2.326 -1.077 -8.589 1.00 0.00 S ATOM 1058 CE MET A 144 -2.480 -2.197 -10.003 1.00 0.00 C ATOM 0 H MET A 144 -4.613 -1.195 -6.509 1.00 0.00 H new ATOM 0 HA MET A 144 -3.552 -3.750 -7.567 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.612 -1.529 -5.742 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.896 -3.113 -5.523 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.549 -1.850 -7.154 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.329 -3.186 -7.978 1.00 0.00 H new ATOM 0 HE1 MET A 144 -2.898 -1.656 -10.852 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.497 -2.585 -10.268 1.00 0.00 H new ATOM 0 HE3 MET A 144 -3.138 -3.025 -9.741 1.00 0.00 H new ATOM 1068 N MET A 145 -4.942 -3.452 -4.606 1.00 0.00 N ATOM 1069 CA MET A 145 -5.450 -4.270 -3.475 1.00 0.00 C ATOM 1070 C MET A 145 -6.785 -4.932 -3.837 1.00 0.00 C ATOM 1071 O MET A 145 -7.279 -5.773 -3.113 1.00 0.00 O ATOM 1072 CB MET A 145 -5.625 -3.380 -2.244 1.00 0.00 C ATOM 1073 CG MET A 145 -4.392 -3.518 -1.351 1.00 0.00 C ATOM 1074 SD MET A 145 -4.886 -4.148 0.273 1.00 0.00 S ATOM 1075 CE MET A 145 -4.528 -5.893 -0.047 1.00 0.00 C ATOM 0 H MET A 145 -5.177 -2.460 -4.566 1.00 0.00 H new ATOM 0 HA MET A 145 -4.728 -5.057 -3.259 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.757 -2.341 -2.546 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.522 -3.668 -1.695 1.00 0.00 H new ATOM 0 HG2 MET A 145 -3.671 -4.194 -1.811 1.00 0.00 H new ATOM 0 HG3 MET A 145 -3.899 -2.552 -1.243 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.764 -6.481 0.840 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.133 -6.241 -0.885 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.472 -6.009 -0.289 1.00 0.00 H new ATOM 1085 N THR A 146 -7.369 -4.578 -4.949 1.00 0.00 N ATOM 1086 CA THR A 146 -8.662 -5.214 -5.334 1.00 0.00 C ATOM 1087 C THR A 146 -8.378 -6.422 -6.225 1.00 0.00 C ATOM 1088 O THR A 146 -9.064 -7.423 -6.171 1.00 0.00 O ATOM 1089 CB THR A 146 -9.535 -4.212 -6.097 1.00 0.00 C ATOM 1090 OG1 THR A 146 -8.708 -3.285 -6.784 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.435 -3.466 -5.112 1.00 0.00 C ATOM 0 H THR A 146 -7.011 -3.882 -5.603 1.00 0.00 H new ATOM 0 HA THR A 146 -9.190 -5.530 -4.434 1.00 0.00 H new ATOM 0 HB THR A 146 -10.153 -4.746 -6.819 1.00 0.00 H new ATOM 0 HG1 THR A 146 -8.369 -2.618 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 146 -11.056 -2.753 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 146 -11.073 -4.179 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 146 -9.819 -2.933 -4.388 1.00 0.00 H new ATOM 1099 N ALA A 147 -7.366 -6.338 -7.045 1.00 0.00 N ATOM 1100 CA ALA A 147 -7.032 -7.482 -7.938 1.00 0.00 C ATOM 1101 C ALA A 147 -5.895 -8.294 -7.318 1.00 0.00 C ATOM 1102 O ALA A 147 -4.737 -7.944 -7.428 1.00 0.00 O ATOM 1103 CB ALA A 147 -6.596 -6.951 -9.305 1.00 0.00 C ATOM 0 H ALA A 147 -6.756 -5.525 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 147 -7.909 -8.118 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -6.351 -7.788 -9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -7.407 -6.371 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -5.719 -6.315 -9.185 1.00 0.00 H new ATOM 1109 N LYS A 148 -6.215 -9.378 -6.665 1.00 0.00 N ATOM 1110 CA LYS A 148 -5.153 -10.212 -6.038 1.00 0.00 C ATOM 1111 C LYS A 148 -3.980 -10.361 -7.007 1.00 0.00 C ATOM 1112 O LYS A 148 -2.927 -9.814 -6.723 1.00 0.00 O ATOM 1113 CB LYS A 148 -5.720 -11.594 -5.712 1.00 0.00 C ATOM 1114 CG LYS A 148 -6.471 -12.134 -6.932 1.00 0.00 C ATOM 1115 CD LYS A 148 -7.790 -12.765 -6.482 1.00 0.00 C ATOM 1116 CE LYS A 148 -7.717 -14.282 -6.662 1.00 0.00 C ATOM 1117 NZ LYS A 148 -8.881 -14.741 -7.469 1.00 0.00 N ATOM 1118 OXT LYS A 148 -4.153 -11.023 -8.018 1.00 0.00 O ATOM 0 H LYS A 148 -7.167 -9.721 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 148 -4.808 -9.732 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -4.914 -12.274 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -6.392 -11.531 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -6.664 -11.328 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -5.860 -12.873 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.985 -12.521 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -8.617 -12.358 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -6.786 -14.556 -7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -7.717 -14.775 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -8.833 -15.773 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -9.763 -14.492 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -8.861 -14.280 -8.401 1.00 0.00 H new TER 1132 LYS A 148