USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 270 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 157 HIS HE2 : A 157 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 161 HIS HE2 : A 161 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 150 GLN : amide:sc= 0.819 K(o=1.4,f=-0.19) USER MOD Set 1.2: A 153 SER OG : rot -125:sc= 0.532 USER MOD Set 2.1: A 137 LYS NZ :NH3+ 148:sc= 0.696 (180deg=0.151) USER MOD Set 2.2: A 147 SER OG : rot 180:sc= -0.597 USER MOD Set 3.1: A 130 SER OG : rot 180:sc= 0.0447 USER MOD Set 3.2: A 133 SER OG : rot -18:sc= 0.0423 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.688 USER MOD Single : A 140 GLN : amide:sc= -0.17 K(o=-0.17,f=-1) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0196) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 162 THR OG1 : rot 180:sc=-0.00971 USER MOD Single : A 164 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 -0.531 12.712 16.371 1.00 0.00 N ATOM 2 CA GLY A 129 0.551 13.636 16.085 1.00 0.00 C ATOM 3 C GLY A 129 1.146 13.423 14.707 1.00 0.00 C ATOM 4 O GLY A 129 2.227 12.850 14.573 1.00 0.00 O ATOM 0 HA2 GLY A 129 0.182 14.659 16.164 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.332 13.520 16.837 1.00 0.00 H new ATOM 8 N SER A 130 0.439 13.885 13.681 1.00 0.00 N ATOM 9 CA SER A 130 0.901 13.737 12.306 1.00 0.00 C ATOM 10 C SER A 130 0.842 15.070 11.567 1.00 0.00 C ATOM 11 O SER A 130 0.246 16.034 12.048 1.00 0.00 O ATOM 12 CB SER A 130 0.055 12.696 11.571 1.00 0.00 C ATOM 13 OG SER A 130 -1.090 13.291 10.984 1.00 0.00 O ATOM 0 H SER A 130 -0.456 14.365 13.776 1.00 0.00 H new ATOM 0 HA SER A 130 1.938 13.401 12.331 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.655 12.215 10.799 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.253 11.916 12.267 1.00 0.00 H new ATOM 0 HG SER A 130 -1.613 12.605 10.519 1.00 0.00 H new ATOM 19 N SER A 131 1.466 15.118 10.394 1.00 0.00 N ATOM 20 CA SER A 131 1.489 16.333 9.589 1.00 0.00 C ATOM 21 C SER A 131 0.077 16.741 9.181 1.00 0.00 C ATOM 22 O SER A 131 -0.234 17.927 9.080 1.00 0.00 O ATOM 23 CB SER A 131 2.353 16.129 8.343 1.00 0.00 C ATOM 24 OG SER A 131 3.732 16.144 8.671 1.00 0.00 O ATOM 0 H SER A 131 1.962 14.329 9.980 1.00 0.00 H new ATOM 0 HA SER A 131 1.919 17.131 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.098 15.180 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.140 16.913 7.616 1.00 0.00 H new ATOM 0 HG SER A 131 4.263 16.010 7.858 1.00 0.00 H new ATOM 30 N GLY A 132 -0.775 15.748 8.947 1.00 0.00 N ATOM 31 CA GLY A 132 -2.145 16.022 8.553 1.00 0.00 C ATOM 32 C GLY A 132 -3.039 14.805 8.676 1.00 0.00 C ATOM 33 O GLY A 132 -2.996 13.907 7.835 1.00 0.00 O ATOM 0 H GLY A 132 -0.541 14.758 9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -2.544 16.826 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -2.159 16.376 7.522 1.00 0.00 H new ATOM 37 N SER A 133 -3.851 14.772 9.728 1.00 0.00 N ATOM 38 CA SER A 133 -4.755 13.653 9.961 1.00 0.00 C ATOM 39 C SER A 133 -5.994 13.762 9.077 1.00 0.00 C ATOM 40 O SER A 133 -6.995 14.365 9.465 1.00 0.00 O ATOM 41 CB SER A 133 -5.168 13.601 11.433 1.00 0.00 C ATOM 42 OG SER A 133 -4.037 13.678 12.283 1.00 0.00 O ATOM 0 H SER A 133 -3.901 15.508 10.432 1.00 0.00 H new ATOM 0 HA SER A 133 -4.228 12.734 9.706 1.00 0.00 H new ATOM 0 HB2 SER A 133 -5.848 14.424 11.652 1.00 0.00 H new ATOM 0 HB3 SER A 133 -5.712 12.677 11.629 1.00 0.00 H new ATOM 0 HG SER A 133 -3.229 13.463 11.772 1.00 0.00 H new ATOM 48 N SER A 134 -5.918 13.174 7.887 1.00 0.00 N ATOM 49 CA SER A 134 -7.031 13.208 6.946 1.00 0.00 C ATOM 50 C SER A 134 -8.223 12.423 7.485 1.00 0.00 C ATOM 51 O SER A 134 -9.375 12.803 7.280 1.00 0.00 O ATOM 52 CB SER A 134 -6.600 12.638 5.593 1.00 0.00 C ATOM 53 OG SER A 134 -7.061 13.450 4.527 1.00 0.00 O ATOM 0 H SER A 134 -5.098 12.669 7.552 1.00 0.00 H new ATOM 0 HA SER A 134 -7.332 14.247 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 134 -5.513 12.565 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.991 11.627 5.480 1.00 0.00 H new ATOM 0 HG SER A 134 -6.771 13.065 3.674 1.00 0.00 H new ATOM 59 N GLY A 135 -7.936 11.324 8.176 1.00 0.00 N ATOM 60 CA GLY A 135 -8.993 10.501 8.734 1.00 0.00 C ATOM 61 C GLY A 135 -8.699 9.019 8.614 1.00 0.00 C ATOM 62 O GLY A 135 -7.550 8.622 8.423 1.00 0.00 O ATOM 0 H GLY A 135 -6.990 10.989 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -9.132 10.757 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -9.930 10.725 8.225 1.00 0.00 H new ATOM 66 N GLU A 136 -9.740 8.200 8.728 1.00 0.00 N ATOM 67 CA GLU A 136 -9.586 6.753 8.633 1.00 0.00 C ATOM 68 C GLU A 136 -9.896 6.264 7.221 1.00 0.00 C ATOM 69 O GLU A 136 -10.491 6.983 6.419 1.00 0.00 O ATOM 70 CB GLU A 136 -10.502 6.053 9.640 1.00 0.00 C ATOM 71 CG GLU A 136 -9.755 5.393 10.786 1.00 0.00 C ATOM 72 CD GLU A 136 -9.449 3.932 10.518 1.00 0.00 C ATOM 73 OE1 GLU A 136 -9.259 3.573 9.337 1.00 0.00 O ATOM 74 OE2 GLU A 136 -9.400 3.148 11.488 1.00 0.00 O ATOM 0 H GLU A 136 -10.698 8.513 8.886 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.549 6.508 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.204 6.781 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -11.091 5.298 9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.823 5.929 10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.348 5.475 11.697 1.00 0.00 H new ATOM 81 N LYS A 137 -9.486 5.035 6.924 1.00 0.00 N ATOM 82 CA LYS A 137 -9.719 4.448 5.610 1.00 0.00 C ATOM 83 C LYS A 137 -10.708 3.289 5.700 1.00 0.00 C ATOM 84 O LYS A 137 -10.876 2.665 6.747 1.00 0.00 O ATOM 85 CB LYS A 137 -8.400 3.961 5.005 1.00 0.00 C ATOM 86 CG LYS A 137 -7.482 5.088 4.563 1.00 0.00 C ATOM 87 CD LYS A 137 -6.439 4.600 3.571 1.00 0.00 C ATOM 88 CE LYS A 137 -5.455 5.703 3.210 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.051 5.314 3.516 1.00 0.00 N ATOM 0 H LYS A 137 -8.991 4.427 7.576 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.145 5.217 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.879 3.345 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.616 3.322 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.073 5.883 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.985 5.517 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.899 3.754 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.933 4.242 2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -5.544 5.937 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.709 6.610 3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.410 5.760 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -3.805 5.630 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.957 4.280 3.457 1.00 0.00 H new ATOM 103 N PRO A 138 -11.376 2.992 4.575 1.00 0.00 N ATOM 104 CA PRO A 138 -12.357 1.906 4.501 1.00 0.00 C ATOM 105 C PRO A 138 -11.706 0.530 4.594 1.00 0.00 C ATOM 106 O PRO A 138 -12.384 -0.475 4.812 1.00 0.00 O ATOM 107 CB PRO A 138 -13.000 2.101 3.126 1.00 0.00 C ATOM 108 CG PRO A 138 -11.967 2.813 2.323 1.00 0.00 C ATOM 109 CD PRO A 138 -11.225 3.694 3.290 1.00 0.00 C ATOM 0 HA PRO A 138 -13.067 1.941 5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.264 1.145 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.918 2.685 3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.291 2.106 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.427 3.404 1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.177 3.802 3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.650 4.697 3.328 1.00 0.00 H new ATOM 117 N TYR A 139 -10.389 0.491 4.428 1.00 0.00 N ATOM 118 CA TYR A 139 -9.647 -0.762 4.492 1.00 0.00 C ATOM 119 C TYR A 139 -8.445 -0.637 5.423 1.00 0.00 C ATOM 120 O TYR A 139 -7.823 0.421 5.512 1.00 0.00 O ATOM 121 CB TYR A 139 -9.183 -1.176 3.094 1.00 0.00 C ATOM 122 CG TYR A 139 -10.288 -1.168 2.062 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.259 -2.162 2.048 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.362 -0.167 1.102 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.270 -2.159 1.107 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.370 -0.155 0.158 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.321 -1.154 0.164 1.00 0.00 C ATOM 128 OH TYR A 139 -13.328 -1.147 -0.775 1.00 0.00 O ATOM 0 H TYR A 139 -9.813 1.313 4.248 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.312 -1.529 4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.389 -0.503 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.752 -2.176 3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.222 -2.950 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.618 0.616 1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.017 -2.939 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.413 0.632 -0.580 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.220 -0.372 -1.364 1.00 0.00 H new ATOM 138 N GLN A 140 -8.125 -1.726 6.114 1.00 0.00 N ATOM 139 CA GLN A 140 -6.997 -1.740 7.039 1.00 0.00 C ATOM 140 C GLN A 140 -6.386 -3.134 7.132 1.00 0.00 C ATOM 141 O GLN A 140 -7.089 -4.117 7.367 1.00 0.00 O ATOM 142 CB GLN A 140 -7.442 -1.271 8.425 1.00 0.00 C ATOM 143 CG GLN A 140 -6.338 -1.322 9.468 1.00 0.00 C ATOM 144 CD GLN A 140 -6.704 -2.178 10.665 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.444 -3.154 10.541 1.00 0.00 O ATOM 146 NE2 GLN A 140 -6.186 -1.815 11.833 1.00 0.00 N ATOM 0 H GLN A 140 -8.630 -2.610 6.051 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.238 -1.056 6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.814 -0.249 8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.275 -1.890 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.429 -1.713 9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.115 -0.310 9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.577 -0.999 11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.397 -2.353 12.674 1.00 0.00 H new ATOM 155 N CYS A 141 -5.073 -3.212 6.947 1.00 0.00 N ATOM 156 CA CYS A 141 -4.366 -4.486 7.010 1.00 0.00 C ATOM 157 C CYS A 141 -4.356 -5.033 8.434 1.00 0.00 C ATOM 158 O CYS A 141 -4.144 -4.292 9.394 1.00 0.00 O ATOM 159 CB CYS A 141 -2.931 -4.322 6.504 1.00 0.00 C ATOM 160 SG CYS A 141 -2.059 -5.895 6.219 1.00 0.00 S ATOM 0 H CYS A 141 -4.476 -2.408 6.752 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.891 -5.196 6.371 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.948 -3.755 5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.367 -3.732 7.227 1.00 0.00 H new ATOM 165 N LYS A 142 -4.586 -6.335 8.563 1.00 0.00 N ATOM 166 CA LYS A 142 -4.602 -6.984 9.869 1.00 0.00 C ATOM 167 C LYS A 142 -3.322 -7.783 10.095 1.00 0.00 C ATOM 168 O LYS A 142 -3.315 -8.762 10.840 1.00 0.00 O ATOM 169 CB LYS A 142 -5.818 -7.905 9.988 1.00 0.00 C ATOM 170 CG LYS A 142 -5.798 -9.069 9.013 1.00 0.00 C ATOM 171 CD LYS A 142 -6.678 -8.799 7.804 1.00 0.00 C ATOM 172 CE LYS A 142 -6.568 -9.913 6.774 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.249 -11.157 7.228 1.00 0.00 N ATOM 0 H LYS A 142 -4.764 -6.962 7.779 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.665 -6.208 10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.870 -8.295 11.005 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.723 -7.320 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.775 -9.253 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.139 -9.973 9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.715 -8.698 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.391 -7.851 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.006 -9.582 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.517 -10.125 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.152 -11.892 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -6.814 -11.488 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.258 -10.961 7.390 1.00 0.00 H new ATOM 187 N GLU A 143 -2.242 -7.356 9.449 1.00 0.00 N ATOM 188 CA GLU A 143 -0.957 -8.032 9.582 1.00 0.00 C ATOM 189 C GLU A 143 0.109 -7.076 10.109 1.00 0.00 C ATOM 190 O GLU A 143 1.003 -7.475 10.856 1.00 0.00 O ATOM 191 CB GLU A 143 -0.518 -8.610 8.235 1.00 0.00 C ATOM 192 CG GLU A 143 -1.616 -9.372 7.512 1.00 0.00 C ATOM 193 CD GLU A 143 -2.225 -10.467 8.366 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.579 -10.880 9.351 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.348 -10.911 8.048 1.00 0.00 O ATOM 0 H GLU A 143 -2.231 -6.546 8.829 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.076 -8.846 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.170 -7.798 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.330 -9.276 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.398 -8.675 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.209 -9.811 6.601 1.00 0.00 H new ATOM 202 N CYS A 144 0.009 -5.811 9.714 1.00 0.00 N ATOM 203 CA CYS A 144 0.963 -4.797 10.144 1.00 0.00 C ATOM 204 C CYS A 144 0.242 -3.571 10.697 1.00 0.00 C ATOM 205 O CYS A 144 0.689 -2.959 11.666 1.00 0.00 O ATOM 206 CB CYS A 144 1.866 -4.388 8.978 1.00 0.00 C ATOM 207 SG CYS A 144 0.961 -3.830 7.498 1.00 0.00 S ATOM 0 H CYS A 144 -0.724 -5.464 9.096 1.00 0.00 H new ATOM 0 HA CYS A 144 1.576 -5.225 10.937 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.529 -3.588 9.309 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.498 -5.234 8.707 1.00 0.00 H new ATOM 212 N GLY A 145 -0.878 -3.219 10.074 1.00 0.00 N ATOM 213 CA GLY A 145 -1.644 -2.069 10.517 1.00 0.00 C ATOM 214 C GLY A 145 -1.786 -1.015 9.437 1.00 0.00 C ATOM 215 O GLY A 145 -2.109 0.138 9.722 1.00 0.00 O ATOM 0 H GLY A 145 -1.269 -3.710 9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.634 -2.396 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.160 -1.628 11.389 1.00 0.00 H new ATOM 219 N LYS A 146 -1.542 -1.410 8.192 1.00 0.00 N ATOM 220 CA LYS A 146 -1.644 -0.492 7.064 1.00 0.00 C ATOM 221 C LYS A 146 -3.102 -0.171 6.753 1.00 0.00 C ATOM 222 O LYS A 146 -4.014 -0.712 7.379 1.00 0.00 O ATOM 223 CB LYS A 146 -0.968 -1.092 5.829 1.00 0.00 C ATOM 224 CG LYS A 146 0.303 -0.368 5.418 1.00 0.00 C ATOM 225 CD LYS A 146 0.370 -0.171 3.913 1.00 0.00 C ATOM 226 CE LYS A 146 0.976 1.178 3.554 1.00 0.00 C ATOM 227 NZ LYS A 146 0.026 2.297 3.806 1.00 0.00 N ATOM 0 H LYS A 146 -1.272 -2.360 7.939 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.137 0.434 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.733 -2.138 6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.671 -1.075 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.348 0.601 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.171 -0.937 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.964 -0.968 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.632 -0.245 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.884 1.335 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.267 1.178 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.413 3.177 3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.887 2.086 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.113 2.410 4.830 1.00 0.00 H new ATOM 241 N SER A 147 -3.315 0.710 5.781 1.00 0.00 N ATOM 242 CA SER A 147 -4.663 1.104 5.388 1.00 0.00 C ATOM 243 C SER A 147 -4.688 1.590 3.942 1.00 0.00 C ATOM 244 O SER A 147 -3.817 2.347 3.515 1.00 0.00 O ATOM 245 CB SER A 147 -5.187 2.202 6.316 1.00 0.00 C ATOM 246 OG SER A 147 -4.683 3.472 5.939 1.00 0.00 O ATOM 0 H SER A 147 -2.571 1.165 5.251 1.00 0.00 H new ATOM 0 HA SER A 147 -5.309 0.230 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.277 2.217 6.288 1.00 0.00 H new ATOM 0 HB3 SER A 147 -4.897 1.983 7.344 1.00 0.00 H new ATOM 0 HG SER A 147 -5.034 4.157 6.546 1.00 0.00 H new ATOM 252 N PHE A 148 -5.694 1.149 3.194 1.00 0.00 N ATOM 253 CA PHE A 148 -5.833 1.537 1.795 1.00 0.00 C ATOM 254 C PHE A 148 -7.234 2.072 1.516 1.00 0.00 C ATOM 255 O PHE A 148 -8.149 1.897 2.321 1.00 0.00 O ATOM 256 CB PHE A 148 -5.539 0.345 0.881 1.00 0.00 C ATOM 257 CG PHE A 148 -4.137 -0.179 1.012 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.785 -0.994 2.075 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.172 0.144 0.071 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.496 -1.478 2.198 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.882 -0.337 0.189 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.543 -1.148 1.254 1.00 0.00 C ATOM 0 H PHE A 148 -6.425 0.523 3.533 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.113 2.329 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.241 -0.458 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.713 0.639 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.526 -1.254 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.431 0.779 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.234 -2.113 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.139 -0.079 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.535 -1.524 1.349 1.00 0.00 H new ATOM 272 N SER A 149 -7.394 2.727 0.370 1.00 0.00 N ATOM 273 CA SER A 149 -8.682 3.292 -0.014 1.00 0.00 C ATOM 274 C SER A 149 -9.278 2.533 -1.196 1.00 0.00 C ATOM 275 O SER A 149 -10.168 3.034 -1.883 1.00 0.00 O ATOM 276 CB SER A 149 -8.528 4.772 -0.369 1.00 0.00 C ATOM 277 OG SER A 149 -8.127 4.934 -1.719 1.00 0.00 O ATOM 0 H SER A 149 -6.648 2.879 -0.308 1.00 0.00 H new ATOM 0 HA SER A 149 -9.360 3.198 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.473 5.289 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.792 5.233 0.290 1.00 0.00 H new ATOM 0 HG SER A 149 -8.037 5.889 -1.921 1.00 0.00 H new ATOM 283 N GLN A 150 -8.779 1.323 -1.426 1.00 0.00 N ATOM 284 CA GLN A 150 -9.260 0.495 -2.526 1.00 0.00 C ATOM 285 C GLN A 150 -9.224 -0.983 -2.151 1.00 0.00 C ATOM 286 O GLN A 150 -8.188 -1.502 -1.735 1.00 0.00 O ATOM 287 CB GLN A 150 -8.419 0.736 -3.780 1.00 0.00 C ATOM 288 CG GLN A 150 -8.156 2.206 -4.063 1.00 0.00 C ATOM 289 CD GLN A 150 -7.715 2.456 -5.492 1.00 0.00 C ATOM 290 OE1 GLN A 150 -8.487 2.952 -6.314 1.00 0.00 O ATOM 291 NE2 GLN A 150 -6.469 2.113 -5.796 1.00 0.00 N ATOM 0 H GLN A 150 -8.042 0.894 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.293 0.774 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.465 0.219 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.926 0.295 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.061 2.779 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.389 2.572 -3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -5.864 1.705 -5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.117 2.257 -6.742 1.00 0.00 H new ATOM 300 N ARG A 151 -10.361 -1.654 -2.300 1.00 0.00 N ATOM 301 CA ARG A 151 -10.459 -3.072 -1.975 1.00 0.00 C ATOM 302 C ARG A 151 -9.365 -3.869 -2.682 1.00 0.00 C ATOM 303 O ARG A 151 -8.844 -4.842 -2.140 1.00 0.00 O ATOM 304 CB ARG A 151 -11.834 -3.614 -2.369 1.00 0.00 C ATOM 305 CG ARG A 151 -12.037 -5.078 -2.015 1.00 0.00 C ATOM 306 CD ARG A 151 -13.024 -5.243 -0.870 1.00 0.00 C ATOM 307 NE ARG A 151 -13.218 -6.645 -0.512 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.023 -7.468 -1.174 1.00 0.00 C ATOM 309 NH1 ARG A 151 -14.706 -7.031 -2.224 1.00 0.00 N ATOM 310 NH2 ARG A 151 -14.147 -8.731 -0.788 1.00 0.00 N ATOM 0 H ARG A 151 -11.227 -1.239 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.327 -3.182 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.604 -3.020 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.971 -3.486 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.399 -5.618 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.081 -5.523 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.665 -4.693 -0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.982 -4.805 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 151 -12.707 -7.013 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.614 -6.061 -2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -15.324 -7.665 -2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -13.624 -9.072 0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -14.766 -9.362 -1.298 1.00 0.00 H new ATOM 324 N GLY A 152 -9.024 -3.447 -3.896 1.00 0.00 N ATOM 325 CA GLY A 152 -7.996 -4.133 -4.657 1.00 0.00 C ATOM 326 C GLY A 152 -6.599 -3.809 -4.166 1.00 0.00 C ATOM 327 O GLY A 152 -5.743 -4.689 -4.084 1.00 0.00 O ATOM 0 H GLY A 152 -9.441 -2.643 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.159 -5.209 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.082 -3.858 -5.708 1.00 0.00 H new ATOM 331 N SER A 153 -6.367 -2.541 -3.841 1.00 0.00 N ATOM 332 CA SER A 153 -5.062 -2.101 -3.362 1.00 0.00 C ATOM 333 C SER A 153 -4.655 -2.872 -2.109 1.00 0.00 C ATOM 334 O SER A 153 -3.542 -3.391 -2.019 1.00 0.00 O ATOM 335 CB SER A 153 -5.082 -0.600 -3.067 1.00 0.00 C ATOM 336 OG SER A 153 -5.129 0.155 -4.265 1.00 0.00 O ATOM 0 H SER A 153 -7.066 -1.800 -3.901 1.00 0.00 H new ATOM 0 HA SER A 153 -4.330 -2.300 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.946 -0.359 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.195 -0.327 -2.496 1.00 0.00 H new ATOM 0 HG SER A 153 -4.385 0.793 -4.279 1.00 0.00 H new ATOM 342 N LEU A 154 -5.566 -2.941 -1.144 1.00 0.00 N ATOM 343 CA LEU A 154 -5.304 -3.648 0.105 1.00 0.00 C ATOM 344 C LEU A 154 -4.884 -5.090 -0.163 1.00 0.00 C ATOM 345 O LEU A 154 -3.884 -5.565 0.372 1.00 0.00 O ATOM 346 CB LEU A 154 -6.546 -3.624 0.997 1.00 0.00 C ATOM 347 CG LEU A 154 -6.580 -4.653 2.128 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.441 -4.410 3.105 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.920 -4.610 2.848 1.00 0.00 C ATOM 0 H LEU A 154 -6.492 -2.516 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.486 -3.140 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.635 -2.630 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.423 -3.776 0.368 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.454 -5.645 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.481 -5.152 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.489 -4.492 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.535 -3.412 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.926 -5.349 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.075 -3.617 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.720 -4.834 2.142 1.00 0.00 H new ATOM 361 N ALA A 155 -5.656 -5.780 -0.997 1.00 0.00 N ATOM 362 CA ALA A 155 -5.361 -7.166 -1.340 1.00 0.00 C ATOM 363 C ALA A 155 -3.914 -7.324 -1.791 1.00 0.00 C ATOM 364 O ALA A 155 -3.196 -8.204 -1.314 1.00 0.00 O ATOM 365 CB ALA A 155 -6.311 -7.655 -2.423 1.00 0.00 C ATOM 0 H ALA A 155 -6.490 -5.402 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.503 -7.774 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.079 -8.691 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.338 -7.588 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.197 -7.036 -3.313 1.00 0.00 H new ATOM 371 N VAL A 156 -3.490 -6.468 -2.716 1.00 0.00 N ATOM 372 CA VAL A 156 -2.127 -6.513 -3.232 1.00 0.00 C ATOM 373 C VAL A 156 -1.108 -6.417 -2.102 1.00 0.00 C ATOM 374 O VAL A 156 0.002 -6.939 -2.207 1.00 0.00 O ATOM 375 CB VAL A 156 -1.870 -5.375 -4.238 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.477 -5.496 -4.836 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.930 -5.380 -5.329 1.00 0.00 C ATOM 0 H VAL A 156 -4.071 -5.735 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.012 -7.470 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.931 -4.424 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.313 -4.684 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.266 -5.440 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.384 -6.452 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.733 -4.570 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.903 -6.333 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.914 -5.241 -4.881 1.00 0.00 H new ATOM 387 N HIS A 157 -1.493 -5.748 -1.020 1.00 0.00 N ATOM 388 CA HIS A 157 -0.613 -5.584 0.131 1.00 0.00 C ATOM 389 C HIS A 157 -0.808 -6.721 1.130 1.00 0.00 C ATOM 390 O HIS A 157 0.031 -6.943 2.002 1.00 0.00 O ATOM 391 CB HIS A 157 -0.874 -4.240 0.812 1.00 0.00 C ATOM 392 CG HIS A 157 -0.174 -4.090 2.128 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.064 -3.498 2.258 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.547 -4.457 3.376 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.424 -3.509 3.530 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.463 -4.085 4.229 1.00 0.00 N ATOM 0 H HIS A 157 -2.409 -5.311 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 157 0.417 -5.608 -0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.556 -3.437 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.947 -4.121 0.965 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.616 -3.112 1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.468 -4.951 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.347 -3.114 3.929 1.00 0.00 H new ATOM 404 N GLU A 158 -1.920 -7.436 0.995 1.00 0.00 N ATOM 405 CA GLU A 158 -2.225 -8.549 1.887 1.00 0.00 C ATOM 406 C GLU A 158 -1.700 -9.863 1.317 1.00 0.00 C ATOM 407 O GLU A 158 -1.638 -10.874 2.016 1.00 0.00 O ATOM 408 CB GLU A 158 -3.734 -8.647 2.119 1.00 0.00 C ATOM 409 CG GLU A 158 -4.340 -7.393 2.726 1.00 0.00 C ATOM 410 CD GLU A 158 -5.264 -7.696 3.890 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.300 -8.357 3.668 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.951 -7.271 5.022 1.00 0.00 O ATOM 0 H GLU A 158 -2.624 -7.265 0.277 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.730 -8.363 2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.226 -8.855 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.938 -9.493 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.540 -6.734 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.894 -6.853 1.958 1.00 0.00 H new ATOM 419 N ARG A 159 -1.323 -9.840 0.043 1.00 0.00 N ATOM 420 CA ARG A 159 -0.805 -11.029 -0.622 1.00 0.00 C ATOM 421 C ARG A 159 0.720 -11.005 -0.669 1.00 0.00 C ATOM 422 O ARG A 159 1.373 -12.037 -0.507 1.00 0.00 O ATOM 423 CB ARG A 159 -1.368 -11.132 -2.041 1.00 0.00 C ATOM 424 CG ARG A 159 -1.011 -9.948 -2.925 1.00 0.00 C ATOM 425 CD ARG A 159 0.162 -10.269 -3.838 1.00 0.00 C ATOM 426 NE ARG A 159 -0.124 -11.394 -4.724 1.00 0.00 N ATOM 427 CZ ARG A 159 0.789 -11.972 -5.496 1.00 0.00 C ATOM 428 NH1 ARG A 159 2.040 -11.534 -5.490 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.451 -12.992 -6.275 1.00 0.00 N ATOM 0 H ARG A 159 -1.367 -9.011 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.120 -11.901 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -0.997 -12.046 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.453 -11.220 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.876 -9.668 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.764 -9.088 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.407 -9.391 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.039 -10.498 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.077 -11.756 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.303 -10.751 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.739 -11.980 -6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.511 -13.332 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.153 -13.435 -6.868 1.00 0.00 H new ATOM 443 N LEU A 160 1.281 -9.822 -0.892 1.00 0.00 N ATOM 444 CA LEU A 160 2.729 -9.663 -0.961 1.00 0.00 C ATOM 445 C LEU A 160 3.364 -9.855 0.412 1.00 0.00 C ATOM 446 O LEU A 160 4.580 -10.007 0.530 1.00 0.00 O ATOM 447 CB LEU A 160 3.085 -8.281 -1.512 1.00 0.00 C ATOM 448 CG LEU A 160 3.570 -7.255 -0.487 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.023 -5.980 -1.181 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.474 -6.952 0.525 1.00 0.00 C ATOM 0 H LEU A 160 0.755 -8.959 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 160 3.122 -10.427 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.859 -8.402 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.207 -7.875 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 160 4.422 -7.678 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.365 -5.262 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.840 -6.209 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.190 -5.554 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.837 -6.220 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.602 -6.550 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.197 -7.868 1.046 1.00 0.00 H new ATOM 462 N HIS A 161 2.532 -9.848 1.449 1.00 0.00 N ATOM 463 CA HIS A 161 3.012 -10.024 2.815 1.00 0.00 C ATOM 464 C HIS A 161 3.847 -11.295 2.938 1.00 0.00 C ATOM 465 O HIS A 161 4.939 -11.280 3.508 1.00 0.00 O ATOM 466 CB HIS A 161 1.834 -10.078 3.789 1.00 0.00 C ATOM 467 CG HIS A 161 1.679 -8.836 4.611 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.622 -8.416 5.525 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.683 -7.920 4.652 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.212 -7.296 6.094 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.039 -6.974 5.581 1.00 0.00 N ATOM 0 H HIS A 161 1.523 -9.722 1.369 1.00 0.00 H new ATOM 0 HA HIS A 161 3.642 -9.170 3.065 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.916 -10.249 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.963 -10.931 4.455 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.499 -8.895 5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.223 -7.931 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.746 -6.739 6.850 1.00 0.00 H new ATOM 479 N THR A 162 3.328 -12.394 2.401 1.00 0.00 N ATOM 480 CA THR A 162 4.024 -13.673 2.452 1.00 0.00 C ATOM 481 C THR A 162 5.338 -13.615 1.680 1.00 0.00 C ATOM 482 O THR A 162 5.470 -12.863 0.716 1.00 0.00 O ATOM 483 CB THR A 162 3.156 -14.809 1.880 1.00 0.00 C ATOM 484 OG1 THR A 162 3.894 -16.036 1.877 1.00 0.00 O ATOM 485 CG2 THR A 162 2.700 -14.482 0.465 1.00 0.00 C ATOM 0 H THR A 162 2.426 -12.424 1.925 1.00 0.00 H new ATOM 0 HA THR A 162 4.231 -13.878 3.502 1.00 0.00 H new ATOM 0 HB THR A 162 2.275 -14.917 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.334 -16.754 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.088 -15.299 0.082 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.113 -13.563 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.571 -14.349 -0.176 1.00 0.00 H new ATOM 493 N GLY A 163 6.308 -14.415 2.111 1.00 0.00 N ATOM 494 CA GLY A 163 7.599 -14.440 1.448 1.00 0.00 C ATOM 495 C GLY A 163 8.565 -13.424 2.024 1.00 0.00 C ATOM 496 O GLY A 163 8.155 -12.364 2.495 1.00 0.00 O ATOM 0 H GLY A 163 6.223 -15.046 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 163 8.030 -15.437 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.462 -14.244 0.384 1.00 0.00 H new ATOM 500 N SER A 164 9.854 -13.749 1.989 1.00 0.00 N ATOM 501 CA SER A 164 10.881 -12.860 2.516 1.00 0.00 C ATOM 502 C SER A 164 12.275 -13.373 2.168 1.00 0.00 C ATOM 503 O SER A 164 13.023 -12.725 1.437 1.00 0.00 O ATOM 504 CB SER A 164 10.739 -12.725 4.034 1.00 0.00 C ATOM 505 OG SER A 164 10.104 -13.863 4.590 1.00 0.00 O ATOM 0 H SER A 164 10.211 -14.622 1.601 1.00 0.00 H new ATOM 0 HA SER A 164 10.748 -11.880 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 164 11.723 -12.598 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 164 10.162 -11.831 4.270 1.00 0.00 H new ATOM 0 HG SER A 164 10.027 -13.753 5.561 1.00 0.00 H new ATOM 511 N GLY A 165 12.618 -14.543 2.699 1.00 0.00 N ATOM 512 CA GLY A 165 13.921 -15.125 2.434 1.00 0.00 C ATOM 513 C GLY A 165 14.430 -15.959 3.593 1.00 0.00 C ATOM 514 O GLY A 165 13.713 -16.222 4.559 1.00 0.00 O ATOM 0 H GLY A 165 12.017 -15.098 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 165 13.863 -15.747 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 165 14.635 -14.329 2.222 1.00 0.00 H new ATOM 518 N PRO A 166 15.697 -16.390 3.505 1.00 0.00 N ATOM 519 CA PRO A 166 16.329 -17.206 4.546 1.00 0.00 C ATOM 520 C PRO A 166 16.583 -16.418 5.826 1.00 0.00 C ATOM 521 O PRO A 166 17.623 -15.776 5.975 1.00 0.00 O ATOM 522 CB PRO A 166 17.654 -17.631 3.908 1.00 0.00 C ATOM 523 CG PRO A 166 17.945 -16.573 2.900 1.00 0.00 C ATOM 524 CD PRO A 166 16.610 -16.114 2.384 1.00 0.00 C ATOM 0 HA PRO A 166 15.698 -18.042 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 166 18.448 -17.698 4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 166 17.572 -18.612 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 166 18.495 -15.746 3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 166 18.563 -16.964 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 166 16.621 -15.055 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 166 16.318 -16.657 1.485 1.00 0.00 H new ATOM 532 N SER A 167 15.627 -16.472 6.748 1.00 0.00 N ATOM 533 CA SER A 167 15.747 -15.760 8.016 1.00 0.00 C ATOM 534 C SER A 167 16.000 -14.274 7.782 1.00 0.00 C ATOM 535 O SER A 167 17.145 -13.839 7.670 1.00 0.00 O ATOM 536 CB SER A 167 16.878 -16.356 8.855 1.00 0.00 C ATOM 537 OG SER A 167 16.375 -16.957 10.036 1.00 0.00 O ATOM 0 H SER A 167 14.761 -17.001 6.641 1.00 0.00 H new ATOM 0 HA SER A 167 14.807 -15.870 8.557 1.00 0.00 H new ATOM 0 HB2 SER A 167 17.419 -17.098 8.267 1.00 0.00 H new ATOM 0 HB3 SER A 167 17.592 -15.575 9.116 1.00 0.00 H new ATOM 0 HG SER A 167 17.118 -17.332 10.554 1.00 0.00 H new ATOM 543 N SER A 168 14.921 -13.501 7.710 1.00 0.00 N ATOM 544 CA SER A 168 15.025 -12.064 7.486 1.00 0.00 C ATOM 545 C SER A 168 15.808 -11.768 6.211 1.00 0.00 C ATOM 546 O SER A 168 16.818 -11.066 6.238 1.00 0.00 O ATOM 547 CB SER A 168 15.699 -11.387 8.681 1.00 0.00 C ATOM 548 OG SER A 168 14.938 -11.564 9.863 1.00 0.00 O ATOM 0 H SER A 168 13.966 -13.846 7.803 1.00 0.00 H new ATOM 0 HA SER A 168 14.017 -11.665 7.373 1.00 0.00 H new ATOM 0 HB2 SER A 168 16.697 -11.801 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 168 15.821 -10.323 8.479 1.00 0.00 H new ATOM 0 HG SER A 168 15.391 -11.124 10.612 1.00 0.00 H new ATOM 554 N GLY A 169 15.334 -12.310 5.093 1.00 0.00 N ATOM 555 CA GLY A 169 16.002 -12.093 3.822 1.00 0.00 C ATOM 556 C GLY A 169 15.718 -10.721 3.245 1.00 0.00 C ATOM 557 O GLY A 169 16.597 -10.149 2.601 1.00 0.00 O ATOM 0 H GLY A 169 14.500 -12.895 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 169 17.077 -12.212 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 169 15.682 -12.856 3.112 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.225 -5.221 5.982 1.00 0.00 ZN