USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Set 1.1: A 162 LYS NZ :NH3+ -166:sc= -0.636 (180deg=-0.856) USER MOD Set 1.2: A 172 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 157 THR OG1 : rot 180:sc= 0.00802 USER MOD Set 2.2: A 158 ASN : amide:sc= -0.785 X(o=-0.78,f=-0.7) USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= -0.033 (180deg=-0.329) USER MOD Single : A 125 LYS NZ :NH3+ 166:sc= -0.0122 (180deg=-0.171) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -114:sc= 0.858 (180deg=-0.192) USER MOD Single : A 134 MET CE :methyl -168:sc= -0.236 (180deg=-0.447) USER MOD Single : A 138 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00952) USER MOD Single : A 142 LYS NZ :NH3+ -116:sc= 0.167 (180deg=0.0793) USER MOD Single : A 143 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 152 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.678) USER MOD Single : A 153 SER OG : rot -77:sc= 1.21 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot -140:sc= -0.0219 USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 170:sc=-0.000866 (180deg=-0.0801) USER MOD Single : A 174 LYS NZ :NH3+ -168:sc=-0.00999 (180deg=-0.145) USER MOD Single : A 175 ASN :FLIP amide:sc= -2.1! C(o=-4.2!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.399 3.569 -0.496 1.00 0.89 N ATOM 2 CA LYS A 119 14.002 2.266 -0.746 1.00 0.80 C ATOM 3 C LYS A 119 12.996 1.145 -0.526 1.00 0.78 C ATOM 4 O LYS A 119 12.414 1.022 0.551 1.00 0.90 O ATOM 5 CB LYS A 119 15.241 2.025 0.130 1.00 0.93 C ATOM 6 CG LYS A 119 16.488 2.776 -0.320 1.00 1.51 C ATOM 7 CD LYS A 119 16.540 4.189 0.239 1.00 1.54 C ATOM 8 CE LYS A 119 16.837 4.187 1.728 1.00 2.16 C ATOM 9 NZ LYS A 119 18.207 3.686 2.017 1.00 2.76 N ATOM 0 HA LYS A 119 14.318 2.265 -1.789 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.008 2.314 1.155 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.460 0.957 0.142 1.00 0.93 H new ATOM 0 HG2 LYS A 119 17.375 2.228 -0.001 1.00 1.51 H new ATOM 0 HG3 LYS A 119 16.512 2.817 -1.409 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.306 4.761 -0.285 1.00 1.54 H new ATOM 0 HD3 LYS A 119 15.589 4.689 0.057 1.00 1.54 H new ATOM 0 HE2 LYS A 119 16.729 5.198 2.122 1.00 2.16 H new ATOM 0 HE3 LYS A 119 16.106 3.564 2.244 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 18.488 3.976 2.976 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 18.218 2.648 1.952 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 18.875 4.083 1.326 1.00 2.76 H new ATOM 23 N CYS A 120 12.799 0.344 -1.566 1.00 0.70 N ATOM 24 CA CYS A 120 11.983 -0.858 -1.488 1.00 0.72 C ATOM 25 C CYS A 120 12.701 -1.892 -0.637 1.00 0.76 C ATOM 26 O CYS A 120 13.787 -2.338 -0.994 1.00 0.80 O ATOM 27 CB CYS A 120 11.735 -1.391 -2.909 1.00 0.67 C ATOM 28 SG CYS A 120 11.093 -3.102 -3.033 1.00 0.74 S ATOM 0 H CYS A 120 13.202 0.511 -2.488 1.00 0.70 H new ATOM 0 HA CYS A 120 11.020 -0.636 -1.027 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.031 -0.724 -3.406 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.672 -1.336 -3.463 1.00 0.67 H new ATOM 33 N PRO A 121 12.114 -2.281 0.505 1.00 0.79 N ATOM 34 CA PRO A 121 12.735 -3.230 1.429 1.00 0.87 C ATOM 35 C PRO A 121 12.691 -4.657 0.897 1.00 0.90 C ATOM 36 O PRO A 121 13.285 -5.567 1.470 1.00 1.00 O ATOM 37 CB PRO A 121 11.888 -3.100 2.690 1.00 0.96 C ATOM 38 CG PRO A 121 10.550 -2.670 2.201 1.00 1.00 C ATOM 39 CD PRO A 121 10.798 -1.825 0.980 1.00 0.82 C ATOM 0 HA PRO A 121 13.792 -3.018 1.590 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.828 -4.047 3.227 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.312 -2.369 3.379 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.929 -3.532 1.958 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.021 -2.102 2.966 1.00 1.00 H new ATOM 0 HD2 PRO A 121 10.026 -1.974 0.225 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.805 -0.762 1.223 1.00 0.82 H new ATOM 47 N ARG A 122 11.992 -4.838 -0.211 1.00 0.86 N ATOM 48 CA ARG A 122 11.893 -6.142 -0.843 1.00 0.94 C ATOM 49 C ARG A 122 13.164 -6.410 -1.629 1.00 0.90 C ATOM 50 O ARG A 122 13.674 -7.531 -1.657 1.00 1.05 O ATOM 51 CB ARG A 122 10.698 -6.193 -1.797 1.00 0.98 C ATOM 52 CG ARG A 122 9.346 -5.902 -1.161 1.00 0.97 C ATOM 53 CD ARG A 122 8.852 -7.057 -0.308 1.00 1.11 C ATOM 54 NE ARG A 122 7.389 -7.084 -0.239 1.00 1.54 N ATOM 55 CZ ARG A 122 6.693 -7.360 0.866 1.00 1.95 C ATOM 56 NH1 ARG A 122 7.310 -7.549 2.025 1.00 2.03 N ATOM 57 NH2 ARG A 122 5.371 -7.428 0.826 1.00 2.82 N ATOM 0 H ARG A 122 11.484 -4.096 -0.692 1.00 0.86 H new ATOM 0 HA ARG A 122 11.757 -6.897 -0.068 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.865 -5.476 -2.601 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.661 -7.182 -2.254 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.421 -5.005 -0.546 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.616 -5.692 -1.943 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.216 -7.998 -0.721 1.00 1.11 H new ATOM 0 HD3 ARG A 122 9.264 -6.970 0.698 1.00 1.11 H new ATOM 0 HE ARG A 122 6.868 -6.878 -1.091 1.00 1.54 H new ATOM 0 HH11 ARG A 122 8.327 -7.484 2.078 1.00 2.03 H new ATOM 0 HH12 ARG A 122 6.768 -7.759 2.863 1.00 2.03 H new ATOM 0 HH21 ARG A 122 4.879 -7.269 -0.053 1.00 2.82 H new ATOM 0 HH22 ARG A 122 4.845 -7.639 1.674 1.00 2.82 H new ATOM 71 N CYS A 123 13.669 -5.363 -2.262 1.00 0.76 N ATOM 72 CA CYS A 123 14.857 -5.470 -3.090 1.00 0.78 C ATOM 73 C CYS A 123 16.065 -4.818 -2.428 1.00 0.76 C ATOM 74 O CYS A 123 17.210 -5.103 -2.774 1.00 0.86 O ATOM 75 CB CYS A 123 14.603 -4.806 -4.440 1.00 0.77 C ATOM 76 SG CYS A 123 13.117 -5.416 -5.288 1.00 0.88 S ATOM 0 H CYS A 123 13.271 -4.425 -2.217 1.00 0.76 H new ATOM 0 HA CYS A 123 15.074 -6.530 -3.226 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.511 -3.730 -4.294 1.00 0.77 H new ATOM 0 HB3 CYS A 123 15.469 -4.967 -5.082 1.00 0.77 H new ATOM 81 N GLY A 124 15.790 -3.940 -1.471 1.00 0.70 N ATOM 82 CA GLY A 124 16.828 -3.120 -0.882 1.00 0.73 C ATOM 83 C GLY A 124 17.367 -2.142 -1.904 1.00 0.71 C ATOM 84 O GLY A 124 18.574 -1.917 -1.996 1.00 0.85 O ATOM 0 H GLY A 124 14.857 -3.782 -1.090 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.430 -2.578 -0.024 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.635 -3.753 -0.513 1.00 0.73 H new ATOM 88 N LYS A 125 16.456 -1.561 -2.673 1.00 0.61 N ATOM 89 CA LYS A 125 16.821 -0.750 -3.822 1.00 0.61 C ATOM 90 C LYS A 125 16.049 0.566 -3.811 1.00 0.57 C ATOM 91 O LYS A 125 14.881 0.603 -3.423 1.00 0.60 O ATOM 92 CB LYS A 125 16.510 -1.527 -5.101 1.00 0.63 C ATOM 93 CG LYS A 125 17.065 -0.897 -6.366 1.00 1.30 C ATOM 94 CD LYS A 125 16.548 -1.611 -7.604 1.00 1.71 C ATOM 95 CE LYS A 125 17.214 -1.099 -8.869 1.00 2.44 C ATOM 96 NZ LYS A 125 18.649 -1.473 -8.926 1.00 2.99 N ATOM 0 H LYS A 125 15.451 -1.639 -2.518 1.00 0.61 H new ATOM 0 HA LYS A 125 17.886 -0.524 -3.779 1.00 0.61 H new ATOM 0 HB2 LYS A 125 16.911 -2.536 -5.006 1.00 0.63 H new ATOM 0 HB3 LYS A 125 15.429 -1.622 -5.201 1.00 0.63 H new ATOM 0 HG2 LYS A 125 16.784 0.155 -6.405 1.00 1.30 H new ATOM 0 HG3 LYS A 125 18.154 -0.936 -6.348 1.00 1.30 H new ATOM 0 HD2 LYS A 125 16.726 -2.682 -7.507 1.00 1.71 H new ATOM 0 HD3 LYS A 125 15.469 -1.473 -7.680 1.00 1.71 H new ATOM 0 HE2 LYS A 125 16.698 -1.503 -9.740 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.119 -0.014 -8.916 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 19.009 -1.321 -9.890 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.188 -0.885 -8.258 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 18.757 -2.475 -8.670 1.00 2.99 H new ATOM 110 N SER A 126 16.712 1.633 -4.244 1.00 0.66 N ATOM 111 CA SER A 126 16.120 2.967 -4.263 1.00 0.68 C ATOM 112 C SER A 126 14.929 3.037 -5.219 1.00 0.57 C ATOM 113 O SER A 126 14.877 2.321 -6.224 1.00 0.66 O ATOM 114 CB SER A 126 17.174 4.000 -4.674 1.00 0.89 C ATOM 115 OG SER A 126 18.342 3.882 -3.878 1.00 1.37 O ATOM 0 H SER A 126 17.671 1.599 -4.590 1.00 0.66 H new ATOM 0 HA SER A 126 15.761 3.188 -3.258 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.431 3.864 -5.725 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.762 5.004 -4.574 1.00 0.89 H new ATOM 0 HG SER A 126 19.000 4.551 -4.161 1.00 1.37 H new ATOM 121 N VAL A 127 13.976 3.900 -4.891 1.00 0.52 N ATOM 122 CA VAL A 127 12.793 4.107 -5.714 1.00 0.45 C ATOM 123 C VAL A 127 12.685 5.576 -6.112 1.00 0.58 C ATOM 124 O VAL A 127 13.080 6.461 -5.359 1.00 0.80 O ATOM 125 CB VAL A 127 11.501 3.694 -4.969 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.292 3.754 -5.894 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.640 2.307 -4.369 1.00 0.71 C ATOM 0 H VAL A 127 14.002 4.475 -4.049 1.00 0.52 H new ATOM 0 HA VAL A 127 12.898 3.482 -6.601 1.00 0.45 H new ATOM 0 HB VAL A 127 11.345 4.405 -4.158 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.398 3.459 -5.344 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.169 4.771 -6.267 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.442 3.075 -6.734 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.719 2.041 -3.851 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.832 1.585 -5.163 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.469 2.298 -3.662 1.00 0.71 H new ATOM 137 N TYR A 128 12.164 5.823 -7.300 1.00 0.60 N ATOM 138 CA TYR A 128 11.942 7.180 -7.773 1.00 0.78 C ATOM 139 C TYR A 128 10.445 7.474 -7.843 1.00 0.58 C ATOM 140 O TYR A 128 9.635 6.553 -7.729 1.00 0.48 O ATOM 141 CB TYR A 128 12.605 7.385 -9.138 1.00 1.14 C ATOM 142 CG TYR A 128 12.453 6.196 -10.055 1.00 2.06 C ATOM 143 CD1 TYR A 128 11.197 5.711 -10.381 1.00 2.76 C ATOM 144 CD2 TYR A 128 13.563 5.542 -10.569 1.00 2.80 C ATOM 145 CE1 TYR A 128 11.046 4.617 -11.194 1.00 3.69 C ATOM 146 CE2 TYR A 128 13.422 4.439 -11.387 1.00 3.75 C ATOM 147 CZ TYR A 128 12.160 3.979 -11.697 1.00 4.06 C ATOM 148 OH TYR A 128 12.010 2.881 -12.511 1.00 5.08 O ATOM 0 H TYR A 128 11.885 5.097 -7.960 1.00 0.60 H new ATOM 0 HA TYR A 128 12.396 7.878 -7.069 1.00 0.78 H new ATOM 0 HB2 TYR A 128 12.172 8.263 -9.617 1.00 1.14 H new ATOM 0 HB3 TYR A 128 13.665 7.591 -8.993 1.00 1.14 H new ATOM 0 HD1 TYR A 128 10.320 6.204 -9.987 1.00 2.76 H new ATOM 0 HD2 TYR A 128 14.552 5.901 -10.326 1.00 2.80 H new ATOM 0 HE1 TYR A 128 10.058 4.256 -11.439 1.00 3.69 H new ATOM 0 HE2 TYR A 128 14.295 3.940 -11.782 1.00 3.75 H new ATOM 0 HH TYR A 128 12.892 2.551 -12.781 1.00 5.08 H new ATOM 158 N ALA A 129 10.079 8.731 -8.049 1.00 0.69 N ATOM 159 CA ALA A 129 8.674 9.141 -8.010 1.00 0.74 C ATOM 160 C ALA A 129 7.803 8.363 -9.007 1.00 0.75 C ATOM 161 O ALA A 129 6.676 7.979 -8.684 1.00 0.87 O ATOM 162 CB ALA A 129 8.560 10.634 -8.272 1.00 0.95 C ATOM 0 H ALA A 129 10.733 9.489 -8.245 1.00 0.69 H new ATOM 0 HA ALA A 129 8.301 8.911 -7.012 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.511 10.930 -8.241 1.00 0.95 H new ATOM 0 HB2 ALA A 129 9.114 11.181 -7.509 1.00 0.95 H new ATOM 0 HB3 ALA A 129 8.973 10.864 -9.254 1.00 0.95 H new ATOM 168 N ALA A 130 8.344 8.107 -10.196 1.00 0.80 N ATOM 169 CA ALA A 130 7.569 7.522 -11.297 1.00 1.00 C ATOM 170 C ALA A 130 6.889 6.201 -10.923 1.00 0.91 C ATOM 171 O ALA A 130 5.684 6.047 -11.114 1.00 1.16 O ATOM 172 CB ALA A 130 8.467 7.323 -12.507 1.00 1.21 C ATOM 0 H ALA A 130 9.320 8.295 -10.426 1.00 0.80 H new ATOM 0 HA ALA A 130 6.770 8.226 -11.531 1.00 1.00 H new ATOM 0 HB1 ALA A 130 7.888 6.889 -13.322 1.00 1.21 H new ATOM 0 HB2 ALA A 130 8.872 8.285 -12.822 1.00 1.21 H new ATOM 0 HB3 ALA A 130 9.286 6.653 -12.246 1.00 1.21 H new ATOM 178 N GLU A 131 7.648 5.258 -10.376 1.00 0.68 N ATOM 179 CA GLU A 131 7.110 3.933 -10.057 1.00 0.65 C ATOM 180 C GLU A 131 6.824 3.811 -8.563 1.00 0.46 C ATOM 181 O GLU A 131 6.612 2.717 -8.040 1.00 0.50 O ATOM 182 CB GLU A 131 8.091 2.843 -10.494 1.00 0.87 C ATOM 183 CG GLU A 131 8.396 2.840 -11.985 1.00 1.41 C ATOM 184 CD GLU A 131 7.239 2.353 -12.836 1.00 1.70 C ATOM 185 OE1 GLU A 131 6.358 3.165 -13.185 1.00 2.44 O ATOM 186 OE2 GLU A 131 7.208 1.145 -13.162 1.00 1.99 O ATOM 0 H GLU A 131 8.633 5.382 -10.144 1.00 0.68 H new ATOM 0 HA GLU A 131 6.173 3.805 -10.600 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.024 2.968 -9.944 1.00 0.87 H new ATOM 0 HB3 GLU A 131 7.684 1.871 -10.216 1.00 0.87 H new ATOM 0 HG2 GLU A 131 8.666 3.850 -12.295 1.00 1.41 H new ATOM 0 HG3 GLU A 131 9.264 2.207 -12.169 1.00 1.41 H new ATOM 193 N LYS A 132 6.827 4.952 -7.896 1.00 0.44 N ATOM 194 CA LYS A 132 6.637 5.035 -6.455 1.00 0.42 C ATOM 195 C LYS A 132 5.203 4.728 -6.034 1.00 0.44 C ATOM 196 O LYS A 132 4.261 5.446 -6.382 1.00 0.58 O ATOM 197 CB LYS A 132 7.053 6.434 -5.993 1.00 0.55 C ATOM 198 CG LYS A 132 6.440 6.902 -4.682 1.00 0.65 C ATOM 199 CD LYS A 132 6.954 8.286 -4.312 1.00 1.05 C ATOM 200 CE LYS A 132 6.232 8.864 -3.110 1.00 1.58 C ATOM 201 NZ LYS A 132 4.822 9.226 -3.426 1.00 2.18 N ATOM 0 H LYS A 132 6.963 5.859 -8.343 1.00 0.44 H new ATOM 0 HA LYS A 132 7.259 4.277 -5.979 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.138 6.457 -5.895 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.788 7.148 -6.773 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.354 6.923 -4.770 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.682 6.195 -3.889 1.00 0.65 H new ATOM 0 HD2 LYS A 132 8.022 8.230 -4.100 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.833 8.956 -5.163 1.00 1.05 H new ATOM 0 HE2 LYS A 132 6.246 8.140 -2.296 1.00 1.58 H new ATOM 0 HE3 LYS A 132 6.763 9.749 -2.759 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 4.706 10.257 -3.361 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 4.590 8.911 -4.390 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 4.184 8.762 -2.748 1.00 2.18 H new ATOM 215 N VAL A 133 5.055 3.627 -5.309 1.00 0.39 N ATOM 216 CA VAL A 133 3.816 3.309 -4.610 1.00 0.44 C ATOM 217 C VAL A 133 4.023 3.472 -3.114 1.00 0.44 C ATOM 218 O VAL A 133 5.121 3.243 -2.607 1.00 0.50 O ATOM 219 CB VAL A 133 3.330 1.881 -4.916 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.726 1.815 -6.306 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.468 0.881 -4.786 1.00 0.88 C ATOM 0 H VAL A 133 5.790 2.930 -5.189 1.00 0.39 H new ATOM 0 HA VAL A 133 3.048 3.999 -4.961 1.00 0.44 H new ATOM 0 HB VAL A 133 2.562 1.620 -4.188 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.387 0.799 -6.508 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.879 2.499 -6.368 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.477 2.100 -7.043 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.099 -0.121 -5.007 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.261 1.139 -5.488 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.861 0.907 -3.770 1.00 0.88 H new ATOM 231 N MET A 134 2.982 3.873 -2.409 1.00 0.54 N ATOM 232 CA MET A 134 3.119 4.230 -1.004 1.00 0.60 C ATOM 233 C MET A 134 2.970 3.017 -0.092 1.00 0.57 C ATOM 234 O MET A 134 1.868 2.689 0.350 1.00 0.75 O ATOM 235 CB MET A 134 2.095 5.306 -0.626 1.00 0.83 C ATOM 236 CG MET A 134 2.329 6.638 -1.325 1.00 1.14 C ATOM 237 SD MET A 134 3.923 7.375 -0.908 1.00 1.65 S ATOM 238 CE MET A 134 3.690 7.728 0.833 1.00 1.78 C ATOM 0 H MET A 134 2.036 3.960 -2.781 1.00 0.54 H new ATOM 0 HA MET A 134 4.125 4.626 -0.863 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.095 4.947 -0.870 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.123 5.461 0.453 1.00 0.83 H new ATOM 0 HG2 MET A 134 2.272 6.492 -2.404 1.00 1.14 H new ATOM 0 HG3 MET A 134 1.532 7.330 -1.055 1.00 1.14 H new ATOM 0 HE1 MET A 134 4.496 8.373 1.185 1.00 1.78 H new ATOM 0 HE2 MET A 134 2.734 8.231 0.978 1.00 1.78 H new ATOM 0 HE3 MET A 134 3.699 6.796 1.398 1.00 1.78 H new ATOM 248 N GLY A 135 4.084 2.346 0.173 1.00 0.50 N ATOM 249 CA GLY A 135 4.096 1.297 1.169 1.00 0.61 C ATOM 250 C GLY A 135 4.187 1.878 2.564 1.00 0.70 C ATOM 251 O GLY A 135 5.284 2.107 3.081 1.00 0.77 O ATOM 0 H GLY A 135 4.980 2.511 -0.286 1.00 0.50 H new ATOM 0 HA2 GLY A 135 3.192 0.695 1.080 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.941 0.632 0.992 1.00 0.61 H new ATOM 255 N GLY A 136 3.032 2.151 3.160 1.00 0.85 N ATOM 256 CA GLY A 136 2.991 2.765 4.475 1.00 1.03 C ATOM 257 C GLY A 136 3.285 4.249 4.408 1.00 1.08 C ATOM 258 O GLY A 136 2.394 5.079 4.592 1.00 1.72 O ATOM 0 H GLY A 136 2.117 1.957 2.753 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.008 2.608 4.920 1.00 1.03 H new ATOM 0 HA3 GLY A 136 3.717 2.279 5.127 1.00 1.03 H new ATOM 262 N GLY A 137 4.537 4.580 4.136 1.00 0.94 N ATOM 263 CA GLY A 137 4.934 5.966 3.992 1.00 0.98 C ATOM 264 C GLY A 137 6.172 6.113 3.135 1.00 0.87 C ATOM 265 O GLY A 137 6.778 7.186 3.083 1.00 1.04 O ATOM 0 H GLY A 137 5.293 3.907 4.011 1.00 0.94 H new ATOM 0 HA2 GLY A 137 4.116 6.534 3.548 1.00 0.98 H new ATOM 0 HA3 GLY A 137 5.121 6.394 4.977 1.00 0.98 H new ATOM 269 N LYS A 138 6.546 5.034 2.456 1.00 0.71 N ATOM 270 CA LYS A 138 7.753 5.016 1.639 1.00 0.71 C ATOM 271 C LYS A 138 7.437 4.483 0.245 1.00 0.53 C ATOM 272 O LYS A 138 6.611 3.585 0.098 1.00 0.52 O ATOM 273 CB LYS A 138 8.817 4.127 2.291 1.00 0.92 C ATOM 274 CG LYS A 138 9.218 4.562 3.691 1.00 1.15 C ATOM 275 CD LYS A 138 10.173 3.561 4.323 1.00 1.46 C ATOM 276 CE LYS A 138 10.520 3.937 5.755 1.00 2.11 C ATOM 277 NZ LYS A 138 11.347 5.170 5.828 1.00 2.69 N ATOM 0 H LYS A 138 6.027 4.156 2.456 1.00 0.71 H new ATOM 0 HA LYS A 138 8.132 6.035 1.559 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.444 3.104 2.333 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.704 4.117 1.658 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.690 5.543 3.649 1.00 1.15 H new ATOM 0 HG3 LYS A 138 8.328 4.663 4.313 1.00 1.15 H new ATOM 0 HD2 LYS A 138 9.722 2.569 4.307 1.00 1.46 H new ATOM 0 HD3 LYS A 138 11.086 3.506 3.730 1.00 1.46 H new ATOM 0 HE2 LYS A 138 9.601 4.084 6.323 1.00 2.11 H new ATOM 0 HE3 LYS A 138 11.057 3.113 6.225 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 11.602 5.359 6.818 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 12.213 5.041 5.267 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 10.806 5.974 5.450 1.00 2.69 H new ATOM 291 N PRO A 139 8.047 5.070 -0.795 1.00 0.51 N ATOM 292 CA PRO A 139 7.991 4.539 -2.160 1.00 0.46 C ATOM 293 C PRO A 139 8.538 3.120 -2.269 1.00 0.39 C ATOM 294 O PRO A 139 9.688 2.853 -1.918 1.00 0.51 O ATOM 295 CB PRO A 139 8.882 5.496 -2.963 1.00 0.60 C ATOM 296 CG PRO A 139 9.669 6.245 -1.950 1.00 0.72 C ATOM 297 CD PRO A 139 8.788 6.338 -0.749 1.00 0.63 C ATOM 0 HA PRO A 139 6.962 4.481 -2.514 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.536 4.948 -3.642 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.283 6.172 -3.573 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.599 5.728 -1.715 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.939 7.235 -2.316 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.365 6.437 0.170 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.122 7.199 -0.801 1.00 0.63 H new ATOM 305 N TRP A 140 7.693 2.223 -2.741 1.00 0.34 N ATOM 306 CA TRP A 140 8.092 0.859 -3.059 1.00 0.33 C ATOM 307 C TRP A 140 8.049 0.669 -4.573 1.00 0.31 C ATOM 308 O TRP A 140 7.581 1.550 -5.296 1.00 0.38 O ATOM 309 CB TRP A 140 7.133 -0.143 -2.405 1.00 0.40 C ATOM 310 CG TRP A 140 7.249 -0.254 -0.911 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.459 0.749 -0.013 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.133 -1.456 -0.148 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.483 0.241 1.263 1.00 0.61 N ATOM 314 CE2 TRP A 140 7.287 -1.111 1.205 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.913 -2.792 -0.483 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.230 -2.058 2.223 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.856 -3.731 0.523 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.013 -3.360 1.864 1.00 0.78 C ATOM 0 H TRP A 140 6.707 2.417 -2.916 1.00 0.34 H new ATOM 0 HA TRP A 140 9.100 0.687 -2.682 1.00 0.33 H new ATOM 0 HB2 TRP A 140 6.110 0.140 -2.654 1.00 0.40 H new ATOM 0 HB3 TRP A 140 7.307 -1.127 -2.841 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.588 1.791 -0.267 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.624 0.784 2.115 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.789 -3.086 -1.515 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.353 -1.775 3.258 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 6.688 -4.768 0.274 1.00 0.76 H new ATOM 0 HH2 TRP A 140 6.962 -4.118 2.631 1.00 0.78 H new ATOM 329 N HIS A 141 8.531 -0.473 -5.053 1.00 0.34 N ATOM 330 CA HIS A 141 8.351 -0.830 -6.458 1.00 0.34 C ATOM 331 C HIS A 141 7.008 -1.532 -6.598 1.00 0.40 C ATOM 332 O HIS A 141 6.671 -2.396 -5.792 1.00 0.51 O ATOM 333 CB HIS A 141 9.453 -1.772 -6.967 1.00 0.42 C ATOM 334 CG HIS A 141 10.862 -1.315 -6.728 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.850 -2.219 -6.420 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.397 -0.069 -6.769 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.956 -1.516 -6.270 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.734 -0.205 -6.473 1.00 0.72 N ATOM 0 H HIS A 141 9.043 -1.160 -4.499 1.00 0.34 H new ATOM 0 HA HIS A 141 8.397 0.084 -7.051 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.321 -2.745 -6.493 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.315 -1.918 -8.038 1.00 0.42 H new ATOM 0 HD2 HIS A 141 10.875 0.850 -6.991 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.917 -1.939 -6.017 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.424 0.544 -6.418 1.00 0.72 H new ATOM 346 N LYS A 142 6.252 -1.151 -7.628 1.00 0.49 N ATOM 347 CA LYS A 142 4.900 -1.672 -7.857 1.00 0.65 C ATOM 348 C LYS A 142 4.858 -3.197 -7.935 1.00 0.71 C ATOM 349 O LYS A 142 3.818 -3.803 -7.688 1.00 0.89 O ATOM 350 CB LYS A 142 4.321 -1.094 -9.150 1.00 0.85 C ATOM 351 CG LYS A 142 3.992 0.389 -9.082 1.00 1.52 C ATOM 352 CD LYS A 142 3.534 0.903 -10.434 1.00 1.88 C ATOM 353 CE LYS A 142 4.665 0.853 -11.443 1.00 2.60 C ATOM 354 NZ LYS A 142 4.187 0.991 -12.842 1.00 3.19 N ATOM 0 H LYS A 142 6.557 -0.474 -8.327 1.00 0.49 H new ATOM 0 HA LYS A 142 4.302 -1.364 -6.999 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.033 -1.259 -9.959 1.00 0.85 H new ATOM 0 HB3 LYS A 142 3.415 -1.644 -9.406 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.212 0.559 -8.340 1.00 1.52 H new ATOM 0 HG3 LYS A 142 4.870 0.946 -8.755 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.696 0.304 -10.791 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.174 1.927 -10.335 1.00 1.88 H new ATOM 0 HE2 LYS A 142 5.377 1.649 -11.226 1.00 2.60 H new ATOM 0 HE3 LYS A 142 5.200 -0.091 -11.337 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 4.391 0.116 -13.366 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 3.161 1.164 -12.843 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 4.673 1.789 -13.298 1.00 3.19 H new ATOM 368 N THR A 143 5.977 -3.806 -8.291 1.00 0.69 N ATOM 369 CA THR A 143 6.042 -5.250 -8.444 1.00 0.84 C ATOM 370 C THR A 143 6.129 -5.958 -7.094 1.00 0.84 C ATOM 371 O THR A 143 5.381 -6.898 -6.821 1.00 1.10 O ATOM 372 CB THR A 143 7.255 -5.640 -9.305 1.00 0.95 C ATOM 373 OG1 THR A 143 8.386 -4.831 -8.941 1.00 1.38 O ATOM 374 CG2 THR A 143 6.946 -5.467 -10.782 1.00 1.47 C ATOM 0 H THR A 143 6.855 -3.322 -8.480 1.00 0.69 H new ATOM 0 HA THR A 143 5.123 -5.567 -8.937 1.00 0.84 H new ATOM 0 HB THR A 143 7.487 -6.690 -9.125 1.00 0.95 H new ATOM 0 HG1 THR A 143 8.693 -5.082 -8.045 1.00 1.38 H new ATOM 0 HG21 THR A 143 7.818 -5.749 -11.372 1.00 1.47 H new ATOM 0 HG22 THR A 143 6.103 -6.102 -11.054 1.00 1.47 H new ATOM 0 HG23 THR A 143 6.694 -4.425 -10.981 1.00 1.47 H new ATOM 382 N CYS A 144 7.036 -5.491 -6.257 1.00 0.68 N ATOM 383 CA CYS A 144 7.333 -6.126 -4.977 1.00 0.76 C ATOM 384 C CYS A 144 6.426 -5.613 -3.874 1.00 0.81 C ATOM 385 O CYS A 144 6.361 -6.189 -2.781 1.00 0.96 O ATOM 386 CB CYS A 144 8.771 -5.821 -4.665 1.00 0.73 C ATOM 387 SG CYS A 144 9.520 -4.855 -6.001 1.00 1.14 S ATOM 0 H CYS A 144 7.593 -4.657 -6.442 1.00 0.68 H new ATOM 0 HA CYS A 144 7.162 -7.201 -5.040 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.836 -5.268 -3.728 1.00 0.73 H new ATOM 0 HB3 CYS A 144 9.324 -6.750 -4.526 1.00 0.73 H new ATOM 392 N PHE A 145 5.755 -4.510 -4.157 1.00 0.80 N ATOM 393 CA PHE A 145 4.674 -4.029 -3.317 1.00 0.86 C ATOM 394 C PHE A 145 3.494 -4.972 -3.493 1.00 0.79 C ATOM 395 O PHE A 145 2.452 -4.612 -4.026 1.00 0.81 O ATOM 396 CB PHE A 145 4.306 -2.600 -3.717 1.00 0.94 C ATOM 397 CG PHE A 145 3.389 -1.903 -2.753 1.00 0.97 C ATOM 398 CD1 PHE A 145 3.658 -1.916 -1.396 1.00 1.03 C ATOM 399 CD2 PHE A 145 2.251 -1.254 -3.202 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.812 -1.293 -0.505 1.00 1.10 C ATOM 401 CE2 PHE A 145 1.401 -0.627 -2.315 1.00 1.13 C ATOM 402 CZ PHE A 145 1.713 -0.585 -0.982 1.00 1.13 C ATOM 0 H PHE A 145 5.943 -3.926 -4.972 1.00 0.80 H new ATOM 0 HA PHE A 145 4.972 -4.010 -2.269 1.00 0.86 H new ATOM 0 HB2 PHE A 145 5.221 -2.016 -3.816 1.00 0.94 H new ATOM 0 HB3 PHE A 145 3.833 -2.621 -4.699 1.00 0.94 H new ATOM 0 HD1 PHE A 145 4.541 -2.420 -1.031 1.00 1.03 H new ATOM 0 HD2 PHE A 145 2.027 -1.239 -4.258 1.00 1.05 H new ATOM 0 HE1 PHE A 145 3.000 -1.354 0.557 1.00 1.10 H new ATOM 0 HE2 PHE A 145 0.490 -0.169 -2.671 1.00 1.13 H new ATOM 0 HZ PHE A 145 1.107 -0.004 -0.303 1.00 1.13 H new ATOM 412 N ARG A 146 3.701 -6.201 -3.059 1.00 0.76 N ATOM 413 CA ARG A 146 2.793 -7.295 -3.332 1.00 0.69 C ATOM 414 C ARG A 146 2.482 -8.034 -2.048 1.00 0.66 C ATOM 415 O ARG A 146 3.239 -7.955 -1.073 1.00 0.95 O ATOM 416 CB ARG A 146 3.444 -8.252 -4.345 1.00 0.77 C ATOM 417 CG ARG A 146 4.693 -8.944 -3.811 1.00 1.08 C ATOM 418 CD ARG A 146 5.607 -9.424 -4.929 1.00 1.13 C ATOM 419 NE ARG A 146 5.054 -10.545 -5.690 1.00 1.61 N ATOM 420 CZ ARG A 146 4.973 -10.568 -7.018 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.277 -9.488 -7.726 1.00 1.73 N ATOM 422 NH2 ARG A 146 4.580 -11.665 -7.647 1.00 2.78 N ATOM 0 H ARG A 146 4.512 -6.469 -2.502 1.00 0.76 H new ATOM 0 HA ARG A 146 1.864 -6.905 -3.748 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.716 -9.009 -4.638 1.00 0.77 H new ATOM 0 HB3 ARG A 146 3.704 -7.694 -5.245 1.00 0.77 H new ATOM 0 HG2 ARG A 146 5.240 -8.256 -3.167 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.400 -9.793 -3.194 1.00 1.08 H new ATOM 0 HD2 ARG A 146 5.804 -8.595 -5.609 1.00 1.13 H new ATOM 0 HD3 ARG A 146 6.565 -9.721 -4.503 1.00 1.13 H new ATOM 0 HE ARG A 146 4.711 -11.355 -5.173 1.00 1.61 H new ATOM 0 HH11 ARG A 146 5.574 -8.635 -7.253 1.00 1.73 H new ATOM 0 HH12 ARG A 146 5.213 -9.511 -8.744 1.00 1.73 H new ATOM 0 HH21 ARG A 146 4.337 -12.500 -7.113 1.00 2.78 H new ATOM 0 HH22 ARG A 146 4.520 -11.675 -8.665 1.00 2.78 H new ATOM 436 N CYS A 147 1.376 -8.743 -2.042 1.00 0.42 N ATOM 437 CA CYS A 147 1.040 -9.579 -0.920 1.00 0.43 C ATOM 438 C CYS A 147 1.390 -11.023 -1.250 1.00 0.52 C ATOM 439 O CYS A 147 1.119 -11.514 -2.362 1.00 0.53 O ATOM 440 CB CYS A 147 -0.428 -9.419 -0.550 1.00 0.43 C ATOM 441 SG CYS A 147 -1.421 -10.925 -0.701 1.00 0.68 S ATOM 0 H CYS A 147 0.696 -8.755 -2.803 1.00 0.42 H new ATOM 0 HA CYS A 147 1.619 -9.275 -0.048 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.492 -9.061 0.478 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.865 -8.648 -1.184 1.00 0.43 H new ATOM 446 N ALA A 148 2.032 -11.674 -0.288 1.00 0.67 N ATOM 447 CA ALA A 148 2.500 -13.045 -0.437 1.00 0.82 C ATOM 448 C ALA A 148 1.356 -14.049 -0.368 1.00 0.84 C ATOM 449 O ALA A 148 1.566 -15.245 -0.584 1.00 0.98 O ATOM 450 CB ALA A 148 3.539 -13.362 0.627 1.00 1.02 C ATOM 0 H ALA A 148 2.243 -11.263 0.621 1.00 0.67 H new ATOM 0 HA ALA A 148 2.953 -13.131 -1.425 1.00 0.82 H new ATOM 0 HB1 ALA A 148 3.882 -14.390 0.506 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.385 -12.683 0.523 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.096 -13.241 1.616 1.00 1.02 H new ATOM 456 N ILE A 149 0.153 -13.577 -0.073 1.00 0.76 N ATOM 457 CA ILE A 149 -0.995 -14.468 0.018 1.00 0.84 C ATOM 458 C ILE A 149 -1.412 -14.936 -1.371 1.00 0.85 C ATOM 459 O ILE A 149 -1.811 -16.091 -1.552 1.00 1.00 O ATOM 460 CB ILE A 149 -2.200 -13.808 0.730 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.850 -13.476 2.182 1.00 0.86 C ATOM 462 CG2 ILE A 149 -3.418 -14.719 0.674 1.00 0.97 C ATOM 463 CD1 ILE A 149 -3.012 -12.910 2.974 1.00 1.02 C ATOM 0 H ILE A 149 -0.053 -12.594 0.106 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.686 -15.323 0.619 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.438 -12.880 0.211 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.491 -14.379 2.676 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -1.030 -12.758 2.194 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -4.255 -14.238 1.180 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.683 -14.909 -0.366 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -3.189 -15.663 1.168 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.689 -12.699 3.993 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.358 -11.989 2.505 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.826 -13.635 2.994 1.00 1.02 H new ATOM 475 N CYS A 150 -1.300 -14.053 -2.356 1.00 0.73 N ATOM 476 CA CYS A 150 -1.659 -14.406 -3.711 1.00 0.79 C ATOM 477 C CYS A 150 -0.431 -14.361 -4.605 1.00 0.75 C ATOM 478 O CYS A 150 -0.407 -14.941 -5.693 1.00 0.87 O ATOM 479 CB CYS A 150 -2.722 -13.445 -4.230 1.00 0.78 C ATOM 480 SG CYS A 150 -2.186 -11.703 -4.271 1.00 0.82 S ATOM 0 H CYS A 150 -0.966 -13.097 -2.237 1.00 0.73 H new ATOM 0 HA CYS A 150 -2.061 -15.419 -3.721 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.013 -13.749 -5.235 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.610 -13.527 -3.603 1.00 0.78 H new ATOM 485 N GLY A 151 0.596 -13.675 -4.118 1.00 0.66 N ATOM 486 CA GLY A 151 1.774 -13.440 -4.914 1.00 0.70 C ATOM 487 C GLY A 151 1.484 -12.442 -6.004 1.00 0.66 C ATOM 488 O GLY A 151 1.971 -12.576 -7.127 1.00 0.76 O ATOM 0 H GLY A 151 0.629 -13.277 -3.179 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.581 -13.071 -4.280 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.117 -14.377 -5.353 1.00 0.70 H new ATOM 492 N LYS A 152 0.673 -11.445 -5.679 1.00 0.58 N ATOM 493 CA LYS A 152 0.256 -10.463 -6.671 1.00 0.64 C ATOM 494 C LYS A 152 0.555 -9.040 -6.211 1.00 0.56 C ATOM 495 O LYS A 152 0.446 -8.714 -5.029 1.00 0.50 O ATOM 496 CB LYS A 152 -1.231 -10.658 -7.031 1.00 0.80 C ATOM 497 CG LYS A 152 -1.993 -9.379 -7.363 1.00 0.89 C ATOM 498 CD LYS A 152 -2.767 -8.876 -6.153 1.00 1.39 C ATOM 499 CE LYS A 152 -3.526 -7.593 -6.447 1.00 1.75 C ATOM 500 NZ LYS A 152 -4.350 -7.167 -5.285 1.00 2.37 N ATOM 0 H LYS A 152 0.293 -11.295 -4.744 1.00 0.58 H new ATOM 0 HA LYS A 152 0.839 -10.623 -7.578 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.296 -11.332 -7.885 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -1.728 -11.152 -6.196 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -1.295 -8.612 -7.697 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.681 -9.565 -8.188 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -3.469 -9.644 -5.828 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -2.076 -8.706 -5.327 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -2.820 -6.803 -6.703 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.168 -7.740 -7.315 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -4.535 -6.145 -5.346 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -5.253 -7.683 -5.292 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -3.839 -7.374 -4.403 1.00 2.37 H new ATOM 514 N SER A 153 0.956 -8.209 -7.169 1.00 0.67 N ATOM 515 CA SER A 153 1.369 -6.842 -6.904 1.00 0.73 C ATOM 516 C SER A 153 0.179 -5.930 -6.611 1.00 0.76 C ATOM 517 O SER A 153 -0.870 -6.030 -7.253 1.00 0.94 O ATOM 518 CB SER A 153 2.132 -6.315 -8.116 1.00 0.91 C ATOM 519 OG SER A 153 3.188 -7.190 -8.476 1.00 1.46 O ATOM 0 H SER A 153 1.002 -8.470 -8.154 1.00 0.67 H new ATOM 0 HA SER A 153 2.005 -6.843 -6.018 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.449 -6.200 -8.957 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.534 -5.327 -7.894 1.00 0.91 H new ATOM 0 HG SER A 153 3.939 -7.067 -7.859 1.00 1.46 H new ATOM 525 N LEU A 154 0.355 -5.048 -5.636 1.00 0.71 N ATOM 526 CA LEU A 154 -0.643 -4.048 -5.296 1.00 0.76 C ATOM 527 C LEU A 154 -0.455 -2.818 -6.175 1.00 0.92 C ATOM 528 O LEU A 154 0.667 -2.363 -6.395 1.00 1.13 O ATOM 529 CB LEU A 154 -0.514 -3.668 -3.819 1.00 0.70 C ATOM 530 CG LEU A 154 -0.878 -4.782 -2.838 1.00 0.70 C ATOM 531 CD1 LEU A 154 -0.353 -4.469 -1.448 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.384 -4.966 -2.805 1.00 0.86 C ATOM 0 H LEU A 154 1.195 -5.007 -5.059 1.00 0.71 H new ATOM 0 HA LEU A 154 -1.639 -4.457 -5.467 1.00 0.76 H new ATOM 0 HB2 LEU A 154 0.512 -3.355 -3.627 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -1.152 -2.807 -3.623 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.413 -5.709 -3.174 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -0.624 -5.276 -0.767 1.00 0.85 H new ATOM 0 HD12 LEU A 154 0.732 -4.372 -1.482 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -0.790 -3.535 -1.096 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.638 -5.761 -2.104 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -2.857 -4.037 -2.487 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.740 -5.232 -3.800 1.00 0.86 H new ATOM 544 N GLU A 155 -1.566 -2.303 -6.689 1.00 1.24 N ATOM 545 CA GLU A 155 -1.553 -1.160 -7.599 1.00 1.53 C ATOM 546 C GLU A 155 -1.001 0.080 -6.905 1.00 1.73 C ATOM 547 O GLU A 155 -0.086 0.730 -7.410 1.00 2.45 O ATOM 548 CB GLU A 155 -2.974 -0.889 -8.089 1.00 1.96 C ATOM 549 CG GLU A 155 -3.713 -2.140 -8.529 1.00 2.39 C ATOM 550 CD GLU A 155 -5.146 -1.866 -8.924 1.00 3.01 C ATOM 551 OE1 GLU A 155 -5.954 -1.498 -8.046 1.00 3.46 O ATOM 552 OE2 GLU A 155 -5.476 -2.033 -10.117 1.00 3.54 O ATOM 0 H GLU A 155 -2.499 -2.663 -6.489 1.00 1.24 H new ATOM 0 HA GLU A 155 -0.908 -1.393 -8.446 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -3.538 -0.405 -7.292 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.935 -0.188 -8.923 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.188 -2.589 -9.372 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -3.697 -2.869 -7.719 1.00 2.39 H new ATOM 559 N SER A 156 -1.581 0.379 -5.746 1.00 1.83 N ATOM 560 CA SER A 156 -1.201 1.518 -4.914 1.00 2.22 C ATOM 561 C SER A 156 -2.276 1.701 -3.859 1.00 1.96 C ATOM 562 O SER A 156 -2.013 2.114 -2.731 1.00 2.65 O ATOM 563 CB SER A 156 -1.059 2.806 -5.739 1.00 3.04 C ATOM 564 OG SER A 156 -0.509 3.861 -4.967 1.00 3.58 O ATOM 0 H SER A 156 -2.342 -0.173 -5.351 1.00 1.83 H new ATOM 0 HA SER A 156 -0.231 1.319 -4.459 1.00 2.22 H new ATOM 0 HB2 SER A 156 -0.423 2.617 -6.604 1.00 3.04 H new ATOM 0 HB3 SER A 156 -2.035 3.104 -6.121 1.00 3.04 H new ATOM 0 HG SER A 156 -0.430 4.665 -5.521 1.00 3.58 H new ATOM 570 N THR A 157 -3.499 1.383 -4.256 1.00 1.62 N ATOM 571 CA THR A 157 -4.636 1.396 -3.360 1.00 1.69 C ATOM 572 C THR A 157 -4.960 -0.023 -2.916 1.00 1.51 C ATOM 573 O THR A 157 -4.219 -0.950 -3.245 1.00 2.11 O ATOM 574 CB THR A 157 -5.856 2.018 -4.056 1.00 2.15 C ATOM 575 OG1 THR A 157 -6.006 1.443 -5.360 1.00 2.66 O ATOM 576 CG2 THR A 157 -5.702 3.527 -4.174 1.00 2.67 C ATOM 0 H THR A 157 -3.727 1.109 -5.212 1.00 1.62 H new ATOM 0 HA THR A 157 -4.388 1.997 -2.486 1.00 1.69 H new ATOM 0 HB THR A 157 -6.742 1.810 -3.457 1.00 2.15 H new ATOM 0 HG1 THR A 157 -6.785 1.838 -5.804 1.00 2.66 H new ATOM 0 HG21 THR A 157 -6.578 3.944 -4.670 1.00 2.67 H new ATOM 0 HG22 THR A 157 -5.607 3.962 -3.179 1.00 2.67 H new ATOM 0 HG23 THR A 157 -4.811 3.757 -4.758 1.00 2.67 H new ATOM 584 N ASN A 158 -6.066 -0.177 -2.179 1.00 1.17 N ATOM 585 CA ASN A 158 -6.496 -1.465 -1.605 1.00 1.14 C ATOM 586 C ASN A 158 -5.343 -2.179 -0.906 1.00 0.94 C ATOM 587 O ASN A 158 -5.271 -3.410 -0.873 1.00 1.16 O ATOM 588 CB ASN A 158 -7.196 -2.387 -2.638 1.00 1.38 C ATOM 589 CG ASN A 158 -6.342 -2.800 -3.829 1.00 1.61 C ATOM 590 OD1 ASN A 158 -5.608 -3.789 -3.777 1.00 2.30 O ATOM 591 ND2 ASN A 158 -6.472 -2.071 -4.932 1.00 2.09 N ATOM 0 H ASN A 158 -6.696 0.594 -1.960 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.248 -1.227 -0.852 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -7.534 -3.288 -2.125 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -8.086 -1.878 -3.009 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -5.955 -2.323 -5.774 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -7.089 -1.259 -4.937 1.00 2.09 H new ATOM 598 N VAL A 159 -4.456 -1.383 -0.320 1.00 0.79 N ATOM 599 CA VAL A 159 -3.320 -1.904 0.418 1.00 0.72 C ATOM 600 C VAL A 159 -3.682 -2.026 1.889 1.00 0.69 C ATOM 601 O VAL A 159 -4.180 -1.074 2.491 1.00 0.83 O ATOM 602 CB VAL A 159 -2.088 -0.986 0.281 1.00 0.94 C ATOM 603 CG1 VAL A 159 -0.904 -1.559 1.043 1.00 1.27 C ATOM 604 CG2 VAL A 159 -1.731 -0.766 -1.182 1.00 1.59 C ATOM 0 H VAL A 159 -4.506 -0.365 -0.345 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.072 -2.881 0.004 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.339 -0.018 0.715 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.046 -0.896 0.933 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -1.160 -1.650 2.099 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -0.656 -2.543 0.644 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -0.859 -0.115 -1.250 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.506 -1.724 -1.650 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -2.572 -0.300 -1.696 1.00 1.59 H new ATOM 614 N THR A 160 -3.454 -3.190 2.465 1.00 0.62 N ATOM 615 CA THR A 160 -3.760 -3.407 3.867 1.00 0.67 C ATOM 616 C THR A 160 -2.505 -3.796 4.643 1.00 0.70 C ATOM 617 O THR A 160 -1.718 -4.631 4.191 1.00 0.81 O ATOM 618 CB THR A 160 -4.827 -4.501 4.036 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.833 -4.359 3.020 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.482 -4.402 5.407 1.00 1.08 C ATOM 0 H THR A 160 -3.059 -3.999 1.986 1.00 0.62 H new ATOM 0 HA THR A 160 -4.149 -2.470 4.266 1.00 0.67 H new ATOM 0 HB THR A 160 -4.343 -5.473 3.943 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.716 -4.530 3.408 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.234 -5.184 5.508 1.00 1.08 H new ATOM 0 HG22 THR A 160 -4.725 -4.524 6.182 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.956 -3.426 5.514 1.00 1.08 H new ATOM 628 N ASP A 161 -2.322 -3.177 5.801 1.00 0.82 N ATOM 629 CA ASP A 161 -1.178 -3.462 6.661 1.00 0.93 C ATOM 630 C ASP A 161 -1.565 -4.451 7.748 1.00 0.96 C ATOM 631 O ASP A 161 -2.621 -4.316 8.370 1.00 1.06 O ATOM 632 CB ASP A 161 -0.656 -2.167 7.301 1.00 1.18 C ATOM 633 CG ASP A 161 0.410 -2.415 8.358 1.00 1.61 C ATOM 634 OD1 ASP A 161 1.606 -2.480 7.998 1.00 2.27 O ATOM 635 OD2 ASP A 161 0.056 -2.537 9.557 1.00 2.13 O ATOM 0 H ASP A 161 -2.956 -2.468 6.170 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.389 -3.899 6.049 1.00 0.93 H new ATOM 0 HB2 ASP A 161 -0.246 -1.523 6.523 1.00 1.18 H new ATOM 0 HB3 ASP A 161 -1.490 -1.629 7.753 1.00 1.18 H new ATOM 640 N LYS A 162 -0.735 -5.462 7.957 1.00 0.98 N ATOM 641 CA LYS A 162 -0.955 -6.408 9.036 1.00 1.10 C ATOM 642 C LYS A 162 0.328 -7.160 9.366 1.00 1.22 C ATOM 643 O LYS A 162 0.941 -7.770 8.491 1.00 1.27 O ATOM 644 CB LYS A 162 -2.086 -7.380 8.677 1.00 1.17 C ATOM 645 CG LYS A 162 -2.413 -8.383 9.775 1.00 1.55 C ATOM 646 CD LYS A 162 -2.709 -7.717 11.123 1.00 1.86 C ATOM 647 CE LYS A 162 -3.968 -6.855 11.102 1.00 2.36 C ATOM 648 NZ LYS A 162 -3.712 -5.476 10.600 1.00 2.95 N ATOM 0 H LYS A 162 0.095 -5.647 7.394 1.00 0.98 H new ATOM 0 HA LYS A 162 -1.255 -5.852 9.925 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -2.983 -6.807 8.444 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -1.811 -7.923 7.773 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -3.275 -8.977 9.472 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -1.576 -9.072 9.892 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.816 -8.488 11.886 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -1.858 -7.100 11.411 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -4.720 -7.332 10.473 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -4.382 -6.800 12.109 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -4.526 -4.868 10.824 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -2.859 -5.094 11.055 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -3.573 -5.502 9.570 1.00 2.95 H new ATOM 662 N ASP A 163 0.741 -7.070 10.631 1.00 1.37 N ATOM 663 CA ASP A 163 1.943 -7.745 11.133 1.00 1.58 C ATOM 664 C ASP A 163 3.195 -7.205 10.457 1.00 1.48 C ATOM 665 O ASP A 163 4.222 -7.880 10.387 1.00 1.94 O ATOM 666 CB ASP A 163 1.857 -9.266 10.947 1.00 1.83 C ATOM 667 CG ASP A 163 0.704 -9.892 11.707 1.00 2.42 C ATOM 668 OD1 ASP A 163 0.606 -9.673 12.931 1.00 2.80 O ATOM 669 OD2 ASP A 163 -0.126 -10.589 11.085 1.00 2.97 O ATOM 0 H ASP A 163 0.251 -6.525 11.340 1.00 1.37 H new ATOM 0 HA ASP A 163 2.005 -7.538 12.201 1.00 1.58 H new ATOM 0 HB2 ASP A 163 1.750 -9.491 9.886 1.00 1.83 H new ATOM 0 HB3 ASP A 163 2.791 -9.720 11.277 1.00 1.83 H new ATOM 674 N GLY A 164 3.104 -5.975 9.969 1.00 1.41 N ATOM 675 CA GLY A 164 4.218 -5.366 9.275 1.00 1.46 C ATOM 676 C GLY A 164 4.368 -5.898 7.866 1.00 1.29 C ATOM 677 O GLY A 164 5.402 -5.698 7.224 1.00 1.45 O ATOM 0 H GLY A 164 2.274 -5.387 10.043 1.00 1.41 H new ATOM 0 HA2 GLY A 164 4.077 -4.286 9.241 1.00 1.46 H new ATOM 0 HA3 GLY A 164 5.137 -5.551 9.832 1.00 1.46 H new ATOM 681 N GLU A 165 3.339 -6.584 7.389 1.00 1.10 N ATOM 682 CA GLU A 165 3.347 -7.145 6.052 1.00 1.01 C ATOM 683 C GLU A 165 2.214 -6.544 5.225 1.00 0.86 C ATOM 684 O GLU A 165 1.163 -6.175 5.761 1.00 0.92 O ATOM 685 CB GLU A 165 3.225 -8.672 6.118 1.00 1.13 C ATOM 686 CG GLU A 165 3.356 -9.358 4.766 1.00 1.48 C ATOM 687 CD GLU A 165 4.634 -8.983 4.045 1.00 1.70 C ATOM 688 OE1 GLU A 165 4.627 -7.978 3.304 1.00 2.17 O ATOM 689 OE2 GLU A 165 5.646 -9.692 4.207 1.00 2.21 O ATOM 0 H GLU A 165 2.484 -6.764 7.915 1.00 1.10 H new ATOM 0 HA GLU A 165 4.292 -6.899 5.568 1.00 1.01 H new ATOM 0 HB2 GLU A 165 3.993 -9.060 6.788 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.261 -8.932 6.555 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.326 -10.439 4.906 1.00 1.48 H new ATOM 0 HG3 GLU A 165 2.501 -9.093 4.144 1.00 1.48 H new ATOM 696 N LEU A 166 2.442 -6.443 3.926 1.00 0.77 N ATOM 697 CA LEU A 166 1.481 -5.847 3.014 1.00 0.65 C ATOM 698 C LEU A 166 0.590 -6.919 2.418 1.00 0.55 C ATOM 699 O LEU A 166 1.077 -7.945 1.937 1.00 0.63 O ATOM 700 CB LEU A 166 2.195 -5.085 1.887 1.00 0.71 C ATOM 701 CG LEU A 166 2.903 -3.778 2.289 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.926 -2.809 2.938 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.076 -4.043 3.221 1.00 1.21 C ATOM 0 H LEU A 166 3.296 -6.771 3.475 1.00 0.77 H new ATOM 0 HA LEU A 166 0.871 -5.143 3.579 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.933 -5.750 1.439 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.463 -4.854 1.113 1.00 0.71 H new ATOM 0 HG LEU A 166 3.291 -3.325 1.377 1.00 0.86 H new ATOM 0 HD11 LEU A 166 2.450 -1.894 3.213 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.127 -2.573 2.235 1.00 1.25 H new ATOM 0 HD13 LEU A 166 1.500 -3.266 3.831 1.00 1.25 H new ATOM 0 HD21 LEU A 166 4.552 -3.099 3.484 1.00 1.21 H new ATOM 0 HD22 LEU A 166 3.718 -4.533 4.126 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.799 -4.687 2.721 1.00 1.21 H new ATOM 715 N TYR A 167 -0.709 -6.686 2.466 1.00 0.46 N ATOM 716 CA TYR A 167 -1.677 -7.615 1.907 1.00 0.38 C ATOM 717 C TYR A 167 -2.707 -6.857 1.085 1.00 0.33 C ATOM 718 O TYR A 167 -2.992 -5.693 1.371 1.00 0.45 O ATOM 719 CB TYR A 167 -2.398 -8.378 3.018 1.00 0.46 C ATOM 720 CG TYR A 167 -1.499 -9.187 3.920 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.839 -10.312 3.447 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.327 -8.838 5.253 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.035 -11.068 4.276 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.519 -9.584 6.087 1.00 0.97 C ATOM 725 CZ TYR A 167 0.124 -10.698 5.595 1.00 1.03 C ATOM 726 OH TYR A 167 0.919 -11.454 6.431 1.00 1.23 O ATOM 0 H TYR A 167 -1.121 -5.855 2.890 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.141 -8.323 1.274 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.953 -7.665 3.627 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.129 -9.047 2.564 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.956 -10.601 2.413 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.834 -7.968 5.644 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.467 -11.945 3.894 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.392 -9.296 7.120 1.00 0.97 H new ATOM 0 HH TYR A 167 0.925 -11.055 7.326 1.00 1.23 H new ATOM 736 N CYS A 168 -3.259 -7.508 0.068 1.00 0.30 N ATOM 737 CA CYS A 168 -4.337 -6.920 -0.712 1.00 0.38 C ATOM 738 C CYS A 168 -5.605 -6.858 0.129 1.00 0.45 C ATOM 739 O CYS A 168 -5.804 -7.694 1.012 1.00 0.47 O ATOM 740 CB CYS A 168 -4.607 -7.745 -1.974 1.00 0.46 C ATOM 741 SG CYS A 168 -3.110 -8.350 -2.818 1.00 0.52 S ATOM 0 H CYS A 168 -2.978 -8.441 -0.234 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.038 -5.914 -1.007 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.229 -8.600 -1.708 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.182 -7.138 -2.673 1.00 0.46 H new ATOM 746 N LYS A 169 -6.458 -5.881 -0.140 1.00 0.60 N ATOM 747 CA LYS A 169 -7.733 -5.759 0.560 1.00 0.72 C ATOM 748 C LYS A 169 -8.548 -7.046 0.413 1.00 0.69 C ATOM 749 O LYS A 169 -9.215 -7.486 1.349 1.00 0.75 O ATOM 750 CB LYS A 169 -8.527 -4.575 0.004 1.00 0.94 C ATOM 751 CG LYS A 169 -9.801 -4.269 0.776 1.00 1.57 C ATOM 752 CD LYS A 169 -10.620 -3.195 0.083 1.00 1.97 C ATOM 753 CE LYS A 169 -11.877 -2.853 0.865 1.00 2.66 C ATOM 754 NZ LYS A 169 -11.569 -2.172 2.152 1.00 3.12 N ATOM 0 H LYS A 169 -6.292 -5.158 -0.840 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.533 -5.589 1.618 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -7.891 -3.690 0.007 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -8.784 -4.779 -1.035 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.396 -5.177 0.874 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.548 -3.943 1.785 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -10.013 -2.298 -0.041 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -10.894 -3.534 -0.916 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -12.516 -2.210 0.260 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -12.439 -3.766 1.064 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -12.448 -1.807 2.571 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -11.129 -2.850 2.807 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -10.914 -1.383 1.979 1.00 3.12 H new ATOM 768 N VAL A 170 -8.465 -7.652 -0.767 1.00 0.70 N ATOM 769 CA VAL A 170 -9.183 -8.888 -1.057 1.00 0.77 C ATOM 770 C VAL A 170 -8.616 -10.055 -0.248 1.00 0.69 C ATOM 771 O VAL A 170 -9.359 -10.814 0.373 1.00 0.78 O ATOM 772 CB VAL A 170 -9.111 -9.229 -2.562 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.887 -10.501 -2.870 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.629 -8.065 -3.396 1.00 1.02 C ATOM 0 H VAL A 170 -7.903 -7.304 -1.544 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.224 -8.732 -0.775 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.067 -9.403 -2.823 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.820 -10.719 -3.936 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.465 -11.331 -2.303 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.932 -10.366 -2.592 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.571 -8.321 -4.454 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.665 -7.859 -3.128 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.021 -7.181 -3.203 1.00 1.02 H new ATOM 784 N CYS A 171 -7.296 -10.176 -0.248 1.00 0.58 N ATOM 785 CA CYS A 171 -6.619 -11.253 0.458 1.00 0.59 C ATOM 786 C CYS A 171 -6.734 -11.081 1.971 1.00 0.57 C ATOM 787 O CYS A 171 -6.813 -12.060 2.717 1.00 0.66 O ATOM 788 CB CYS A 171 -5.161 -11.290 0.022 1.00 0.58 C ATOM 789 SG CYS A 171 -4.965 -11.426 -1.784 1.00 0.80 S ATOM 0 H CYS A 171 -6.669 -9.535 -0.734 1.00 0.58 H new ATOM 0 HA CYS A 171 -7.096 -12.201 0.207 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.660 -10.387 0.370 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.665 -12.134 0.501 1.00 0.58 H new ATOM 794 N TYR A 172 -6.751 -9.833 2.418 1.00 0.51 N ATOM 795 CA TYR A 172 -6.939 -9.531 3.831 1.00 0.59 C ATOM 796 C TYR A 172 -8.346 -9.909 4.266 1.00 0.67 C ATOM 797 O TYR A 172 -8.550 -10.418 5.366 1.00 0.76 O ATOM 798 CB TYR A 172 -6.679 -8.050 4.109 1.00 0.65 C ATOM 799 CG TYR A 172 -6.774 -7.677 5.572 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.687 -7.844 6.422 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.946 -7.149 6.099 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.767 -7.497 7.756 1.00 1.57 C ATOM 803 CE2 TYR A 172 -8.032 -6.795 7.432 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.939 -6.971 8.256 1.00 1.48 C ATOM 805 OH TYR A 172 -7.018 -6.619 9.583 1.00 1.78 O ATOM 0 H TYR A 172 -6.637 -9.013 1.823 1.00 0.51 H new ATOM 0 HA TYR A 172 -6.222 -10.118 4.405 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.687 -7.790 3.741 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.395 -7.453 3.544 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.766 -8.251 6.033 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.804 -7.013 5.457 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.915 -7.637 8.405 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.949 -6.383 7.827 1.00 1.45 H new ATOM 0 HH TYR A 172 -7.911 -6.263 9.775 1.00 1.78 H new ATOM 815 N ALA A 173 -9.309 -9.679 3.386 1.00 0.72 N ATOM 816 CA ALA A 173 -10.692 -10.040 3.656 1.00 0.87 C ATOM 817 C ALA A 173 -10.837 -11.549 3.793 1.00 0.91 C ATOM 818 O ALA A 173 -11.764 -12.038 4.433 1.00 1.05 O ATOM 819 CB ALA A 173 -11.597 -9.519 2.552 1.00 1.05 C ATOM 0 H ALA A 173 -9.157 -9.243 2.477 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.990 -9.581 4.599 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.629 -9.796 2.766 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.517 -8.433 2.498 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -11.295 -9.953 1.599 1.00 1.05 H new ATOM 825 N LYS A 174 -9.917 -12.281 3.174 1.00 0.89 N ATOM 826 CA LYS A 174 -9.930 -13.734 3.219 1.00 1.06 C ATOM 827 C LYS A 174 -9.465 -14.250 4.582 1.00 1.08 C ATOM 828 O LYS A 174 -9.964 -15.267 5.067 1.00 1.27 O ATOM 829 CB LYS A 174 -9.058 -14.304 2.089 1.00 1.17 C ATOM 830 CG LYS A 174 -8.977 -15.827 2.061 1.00 1.67 C ATOM 831 CD LYS A 174 -7.633 -16.324 2.571 1.00 2.21 C ATOM 832 CE LYS A 174 -6.502 -15.960 1.618 1.00 2.63 C ATOM 833 NZ LYS A 174 -6.598 -16.690 0.324 1.00 3.36 N ATOM 0 H LYS A 174 -9.149 -11.886 2.632 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.956 -14.073 3.074 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.450 -13.956 1.133 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -8.050 -13.901 2.186 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -9.777 -16.246 2.672 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -9.135 -16.182 1.043 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -7.434 -15.895 3.553 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -7.669 -17.406 2.698 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -6.520 -14.887 1.429 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -5.545 -16.185 2.090 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -5.712 -16.571 -0.208 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -6.759 -17.701 0.507 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -7.390 -16.308 -0.232 1.00 3.36 H new ATOM 847 N ASN A 175 -8.515 -13.557 5.211 1.00 1.04 N ATOM 848 CA ASN A 175 -8.018 -13.993 6.509 1.00 1.24 C ATOM 849 C ASN A 175 -8.758 -13.312 7.658 1.00 1.33 C ATOM 850 O ASN A 175 -9.086 -13.969 8.646 1.00 1.56 O ATOM 851 CB ASN A 175 -6.506 -13.784 6.644 1.00 1.47 C ATOM 852 CG ASN A 175 -6.070 -12.333 6.575 1.00 1.90 C ATOM 853 OD1 ASN A 175 -5.692 -11.885 5.393 1.00 2.65 O flip ATOM 854 ND2 ASN A 175 -6.039 -11.630 7.584 1.00 2.25 N flip ATOM 0 H ASN A 175 -8.083 -12.707 4.848 1.00 1.04 H new ATOM 0 HA ASN A 175 -8.213 -15.064 6.570 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -6.176 -14.206 7.593 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -6.002 -14.341 5.854 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -6.339 -12.012 8.481 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -5.713 -10.665 7.524 1.00 2.25 H new ATOM 861 N PHE A 176 -9.039 -12.010 7.496 1.00 1.30 N ATOM 862 CA PHE A 176 -9.777 -11.195 8.480 1.00 1.58 C ATOM 863 C PHE A 176 -9.425 -11.552 9.928 1.00 2.55 C ATOM 864 O PHE A 176 -10.291 -11.920 10.721 1.00 3.04 O ATOM 865 CB PHE A 176 -11.305 -11.264 8.239 1.00 1.55 C ATOM 866 CG PHE A 176 -11.897 -12.650 8.235 1.00 2.24 C ATOM 867 CD1 PHE A 176 -11.806 -13.449 7.112 1.00 2.85 C ATOM 868 CD2 PHE A 176 -12.545 -13.152 9.353 1.00 2.73 C ATOM 869 CE1 PHE A 176 -12.342 -14.721 7.101 1.00 3.93 C ATOM 870 CE2 PHE A 176 -13.086 -14.422 9.349 1.00 3.72 C ATOM 871 CZ PHE A 176 -12.982 -15.208 8.219 1.00 4.32 C ATOM 0 H PHE A 176 -8.758 -11.485 6.668 1.00 1.30 H new ATOM 0 HA PHE A 176 -9.458 -10.164 8.328 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -11.804 -10.676 9.010 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -11.527 -10.790 7.283 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -11.308 -13.073 6.230 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -12.628 -12.541 10.240 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -12.259 -15.334 6.216 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -13.589 -14.799 10.227 1.00 3.72 H new ATOM 0 HZ PHE A 176 -13.402 -16.203 8.212 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.911 -10.604 -2.395 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.423 -3.821 -5.222 1.00 0.75 ZN