USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=15 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 K(o=-0.26,f=-2) USER MOD Set 1.2: A 153 SER OG : rot 180:sc= -0.257 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -155:sc= 0.321 (180deg=0.112) USER MOD Single : A 139 TYR OH : rot 180:sc= -0.677 USER MOD Single : A 140 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.98) USER MOD Single : A 142 LYS NZ :NH3+ -142:sc= 0.333 (180deg=0.00331) USER MOD Single : A 146 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0645) USER MOD Single : A 147 SER OG : rot 180:sc=-0.00489 USER MOD Single : A 149 SER OG : rot 64:sc= 0.398 USER MOD Single : A 162 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 164 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 64:sc= 0.102 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 129 8.462 8.783 8.906 1.00 0.00 N ATOM 2 CA GLY A 129 8.536 9.380 7.585 1.00 0.00 C ATOM 3 C GLY A 129 7.594 10.557 7.427 1.00 0.00 C ATOM 4 O GLY A 129 7.078 10.807 6.337 1.00 0.00 O ATOM 0 HA2 GLY A 129 9.558 9.708 7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.299 8.626 6.835 1.00 0.00 H new ATOM 8 N SER A 130 7.367 11.282 8.518 1.00 0.00 N ATOM 9 CA SER A 130 6.476 12.437 8.497 1.00 0.00 C ATOM 10 C SER A 130 5.049 12.015 8.158 1.00 0.00 C ATOM 11 O SER A 130 4.819 10.921 7.643 1.00 0.00 O ATOM 12 CB SER A 130 6.969 13.470 7.482 1.00 0.00 C ATOM 13 OG SER A 130 7.535 14.594 8.133 1.00 0.00 O ATOM 0 H SER A 130 7.788 11.090 9.427 1.00 0.00 H new ATOM 0 HA SER A 130 6.478 12.885 9.491 1.00 0.00 H new ATOM 0 HB2 SER A 130 7.710 13.014 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.139 13.790 6.852 1.00 0.00 H new ATOM 0 HG SER A 130 7.844 15.239 7.463 1.00 0.00 H new ATOM 19 N SER A 131 4.095 12.893 8.452 1.00 0.00 N ATOM 20 CA SER A 131 2.689 12.611 8.183 1.00 0.00 C ATOM 21 C SER A 131 2.188 13.434 6.999 1.00 0.00 C ATOM 22 O SER A 131 2.574 14.588 6.823 1.00 0.00 O ATOM 23 CB SER A 131 1.842 12.909 9.421 1.00 0.00 C ATOM 24 OG SER A 131 1.576 14.296 9.535 1.00 0.00 O ATOM 0 H SER A 131 4.269 13.804 8.876 1.00 0.00 H new ATOM 0 HA SER A 131 2.596 11.554 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.903 12.359 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.362 12.561 10.314 1.00 0.00 H new ATOM 0 HG SER A 131 1.032 14.460 10.333 1.00 0.00 H new ATOM 30 N GLY A 132 1.324 12.828 6.190 1.00 0.00 N ATOM 31 CA GLY A 132 0.783 13.518 5.033 1.00 0.00 C ATOM 32 C GLY A 132 -0.616 13.053 4.683 1.00 0.00 C ATOM 33 O GLY A 132 -1.028 13.120 3.525 1.00 0.00 O ATOM 0 H GLY A 132 0.989 11.873 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.768 14.590 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 132 1.440 13.358 4.178 1.00 0.00 H new ATOM 37 N SER A 133 -1.349 12.579 5.685 1.00 0.00 N ATOM 38 CA SER A 133 -2.709 12.096 5.477 1.00 0.00 C ATOM 39 C SER A 133 -3.596 12.436 6.670 1.00 0.00 C ATOM 40 O SER A 133 -3.108 12.854 7.721 1.00 0.00 O ATOM 41 CB SER A 133 -2.705 10.583 5.245 1.00 0.00 C ATOM 42 OG SER A 133 -1.411 10.040 5.443 1.00 0.00 O ATOM 0 H SER A 133 -1.024 12.519 6.650 1.00 0.00 H new ATOM 0 HA SER A 133 -3.113 12.592 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.411 10.106 5.925 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.042 10.366 4.231 1.00 0.00 H new ATOM 0 HG SER A 133 -1.435 9.072 5.291 1.00 0.00 H new ATOM 48 N SER A 134 -4.901 12.254 6.500 1.00 0.00 N ATOM 49 CA SER A 134 -5.858 12.546 7.562 1.00 0.00 C ATOM 50 C SER A 134 -7.195 11.864 7.289 1.00 0.00 C ATOM 51 O SER A 134 -7.735 11.947 6.187 1.00 0.00 O ATOM 52 CB SER A 134 -6.061 14.056 7.694 1.00 0.00 C ATOM 53 OG SER A 134 -7.231 14.351 8.436 1.00 0.00 O ATOM 0 H SER A 134 -5.321 11.906 5.638 1.00 0.00 H new ATOM 0 HA SER A 134 -5.455 12.158 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 134 -5.195 14.501 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.133 14.504 6.703 1.00 0.00 H new ATOM 0 HG SER A 134 -7.337 15.323 8.507 1.00 0.00 H new ATOM 59 N GLY A 135 -7.726 11.188 8.304 1.00 0.00 N ATOM 60 CA GLY A 135 -8.995 10.500 8.155 1.00 0.00 C ATOM 61 C GLY A 135 -8.828 9.003 7.986 1.00 0.00 C ATOM 62 O GLY A 135 -7.971 8.551 7.228 1.00 0.00 O ATOM 0 H GLY A 135 -7.300 11.105 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -9.616 10.697 9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -9.524 10.903 7.291 1.00 0.00 H new ATOM 66 N GLU A 136 -9.647 8.234 8.695 1.00 0.00 N ATOM 67 CA GLU A 136 -9.583 6.779 8.621 1.00 0.00 C ATOM 68 C GLU A 136 -9.874 6.293 7.204 1.00 0.00 C ATOM 69 O GLU A 136 -10.394 7.039 6.373 1.00 0.00 O ATOM 70 CB GLU A 136 -10.577 6.152 9.600 1.00 0.00 C ATOM 71 CG GLU A 136 -9.996 5.905 10.983 1.00 0.00 C ATOM 72 CD GLU A 136 -10.727 4.811 11.736 1.00 0.00 C ATOM 73 OE1 GLU A 136 -10.959 3.736 11.144 1.00 0.00 O ATOM 74 OE2 GLU A 136 -11.066 5.029 12.918 1.00 0.00 O ATOM 0 H GLU A 136 -10.362 8.593 9.327 1.00 0.00 H new ATOM 0 HA GLU A 136 -8.573 6.471 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.445 6.805 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.931 5.206 9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -8.944 5.635 10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -10.037 6.828 11.561 1.00 0.00 H new ATOM 81 N LYS A 137 -9.534 5.038 6.934 1.00 0.00 N ATOM 82 CA LYS A 137 -9.758 4.450 5.618 1.00 0.00 C ATOM 83 C LYS A 137 -10.744 3.289 5.701 1.00 0.00 C ATOM 84 O LYS A 137 -10.918 2.665 6.748 1.00 0.00 O ATOM 85 CB LYS A 137 -8.434 3.966 5.021 1.00 0.00 C ATOM 86 CG LYS A 137 -7.518 5.094 4.581 1.00 0.00 C ATOM 87 CD LYS A 137 -6.476 4.611 3.586 1.00 0.00 C ATOM 88 CE LYS A 137 -5.506 5.720 3.211 1.00 0.00 C ATOM 89 NZ LYS A 137 -4.371 5.212 2.391 1.00 0.00 N ATOM 0 H LYS A 137 -9.102 4.407 7.609 1.00 0.00 H new ATOM 0 HA LYS A 137 -10.182 5.219 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -7.915 3.354 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -8.644 3.325 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -8.111 5.890 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.020 5.520 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.925 3.773 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.972 4.242 2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -6.036 6.494 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.119 6.186 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.551 5.841 2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.118 4.253 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.650 5.187 1.390 1.00 0.00 H new ATOM 103 N PRO A 138 -11.405 2.991 4.573 1.00 0.00 N ATOM 104 CA PRO A 138 -12.383 1.902 4.493 1.00 0.00 C ATOM 105 C PRO A 138 -11.730 0.527 4.590 1.00 0.00 C ATOM 106 O PRO A 138 -12.407 -0.478 4.809 1.00 0.00 O ATOM 107 CB PRO A 138 -13.017 2.096 3.113 1.00 0.00 C ATOM 108 CG PRO A 138 -11.980 2.810 2.316 1.00 0.00 C ATOM 109 CD PRO A 138 -11.247 3.692 3.288 1.00 0.00 C ATOM 0 HA PRO A 138 -13.098 1.935 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -13.276 1.140 2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -13.936 2.678 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -11.300 2.104 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -12.436 3.400 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -10.197 3.802 3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -11.674 4.694 3.322 1.00 0.00 H new ATOM 117 N TYR A 139 -10.412 0.491 4.427 1.00 0.00 N ATOM 118 CA TYR A 139 -9.669 -0.761 4.495 1.00 0.00 C ATOM 119 C TYR A 139 -8.470 -0.633 5.431 1.00 0.00 C ATOM 120 O TYR A 139 -7.877 0.438 5.553 1.00 0.00 O ATOM 121 CB TYR A 139 -9.198 -1.176 3.100 1.00 0.00 C ATOM 122 CG TYR A 139 -10.299 -1.171 2.064 1.00 0.00 C ATOM 123 CD1 TYR A 139 -11.265 -2.169 2.044 1.00 0.00 C ATOM 124 CD2 TYR A 139 -10.371 -0.170 1.103 1.00 0.00 C ATOM 125 CE1 TYR A 139 -12.273 -2.170 1.099 1.00 0.00 C ATOM 126 CE2 TYR A 139 -11.376 -0.162 0.155 1.00 0.00 C ATOM 127 CZ TYR A 139 -12.324 -1.164 0.157 1.00 0.00 C ATOM 128 OH TYR A 139 -13.325 -1.160 -0.787 1.00 0.00 O ATOM 0 H TYR A 139 -9.837 1.314 4.247 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.335 -1.528 4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -8.404 -0.502 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -8.765 -2.175 3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -11.227 -2.958 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.629 0.615 1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -13.016 -2.954 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -11.419 0.625 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 139 -13.217 -0.383 -1.375 1.00 0.00 H new ATOM 138 N GLN A 140 -8.121 -1.734 6.089 1.00 0.00 N ATOM 139 CA GLN A 140 -6.994 -1.745 7.014 1.00 0.00 C ATOM 140 C GLN A 140 -6.383 -3.139 7.111 1.00 0.00 C ATOM 141 O GLN A 140 -7.087 -4.123 7.342 1.00 0.00 O ATOM 142 CB GLN A 140 -7.440 -1.274 8.399 1.00 0.00 C ATOM 143 CG GLN A 140 -6.336 -1.326 9.444 1.00 0.00 C ATOM 144 CD GLN A 140 -6.708 -2.175 10.644 1.00 0.00 C ATOM 145 OE1 GLN A 140 -7.446 -3.153 10.522 1.00 0.00 O ATOM 146 NE2 GLN A 140 -6.198 -1.805 11.812 1.00 0.00 N ATOM 0 H GLN A 140 -8.602 -2.629 5.999 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.236 -1.062 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -7.810 -0.252 8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -8.274 -1.891 8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.429 -1.724 8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -6.108 -0.313 9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.591 -0.987 11.867 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.413 -2.338 12.654 1.00 0.00 H new ATOM 155 N CYS A 141 -5.069 -3.218 6.931 1.00 0.00 N ATOM 156 CA CYS A 141 -4.362 -4.491 6.997 1.00 0.00 C ATOM 157 C CYS A 141 -4.355 -5.036 8.423 1.00 0.00 C ATOM 158 O CYS A 141 -4.147 -4.294 9.382 1.00 0.00 O ATOM 159 CB CYS A 141 -2.926 -4.328 6.495 1.00 0.00 C ATOM 160 SG CYS A 141 -2.053 -5.902 6.213 1.00 0.00 S ATOM 0 H CYS A 141 -4.472 -2.414 6.738 1.00 0.00 H new ATOM 0 HA CYS A 141 -4.885 -5.202 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 141 -2.940 -3.761 5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 141 -2.364 -3.738 7.219 1.00 0.00 H new ATOM 165 N LYS A 142 -4.585 -6.339 8.553 1.00 0.00 N ATOM 166 CA LYS A 142 -4.605 -6.986 9.859 1.00 0.00 C ATOM 167 C LYS A 142 -3.325 -7.783 10.090 1.00 0.00 C ATOM 168 O LYS A 142 -3.320 -8.761 10.838 1.00 0.00 O ATOM 169 CB LYS A 142 -5.821 -7.907 9.977 1.00 0.00 C ATOM 170 CG LYS A 142 -5.798 -9.072 9.003 1.00 0.00 C ATOM 171 CD LYS A 142 -6.675 -8.803 7.792 1.00 0.00 C ATOM 172 CE LYS A 142 -6.563 -9.918 6.764 1.00 0.00 C ATOM 173 NZ LYS A 142 -7.745 -9.960 5.859 1.00 0.00 N ATOM 0 H LYS A 142 -4.760 -6.967 7.769 1.00 0.00 H new ATOM 0 HA LYS A 142 -4.671 -6.209 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -5.875 -8.296 10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.726 -7.323 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -4.774 -9.256 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -6.140 -9.976 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.713 -8.702 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.387 -7.856 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.658 -9.777 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -6.464 -10.875 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.990 -10.950 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.551 -9.492 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.520 -9.468 4.971 1.00 0.00 H new ATOM 187 N GLU A 143 -2.243 -7.359 9.445 1.00 0.00 N ATOM 188 CA GLU A 143 -0.959 -8.034 9.582 1.00 0.00 C ATOM 189 C GLU A 143 0.106 -7.077 10.110 1.00 0.00 C ATOM 190 O GLU A 143 0.998 -7.474 10.860 1.00 0.00 O ATOM 191 CB GLU A 143 -0.517 -8.615 8.237 1.00 0.00 C ATOM 192 CG GLU A 143 -1.613 -9.378 7.514 1.00 0.00 C ATOM 193 CD GLU A 143 -2.224 -10.472 8.368 1.00 0.00 C ATOM 194 OE1 GLU A 143 -1.578 -10.883 9.355 1.00 0.00 O ATOM 195 OE2 GLU A 143 -3.346 -10.918 8.050 1.00 0.00 O ATOM 0 H GLU A 143 -2.231 -6.551 8.822 1.00 0.00 H new ATOM 0 HA GLU A 143 -1.080 -8.846 10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -0.168 -7.804 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 143 0.331 -9.280 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -2.394 -8.682 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -1.205 -9.818 6.604 1.00 0.00 H new ATOM 202 N CYS A 144 0.007 -5.813 9.711 1.00 0.00 N ATOM 203 CA CYS A 144 0.960 -4.798 10.141 1.00 0.00 C ATOM 204 C CYS A 144 0.238 -3.572 10.693 1.00 0.00 C ATOM 205 O CYS A 144 0.684 -2.958 11.661 1.00 0.00 O ATOM 206 CB CYS A 144 1.863 -4.389 8.976 1.00 0.00 C ATOM 207 SG CYS A 144 0.960 -3.831 7.495 1.00 0.00 S ATOM 0 H CYS A 144 -0.725 -5.468 9.090 1.00 0.00 H new ATOM 0 HA CYS A 144 1.573 -5.225 10.935 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.525 -3.589 9.307 1.00 0.00 H new ATOM 0 HB3 CYS A 144 2.495 -5.235 8.706 1.00 0.00 H new ATOM 212 N GLY A 145 -0.883 -3.221 10.068 1.00 0.00 N ATOM 213 CA GLY A 145 -1.650 -2.071 10.510 1.00 0.00 C ATOM 214 C GLY A 145 -1.787 -1.017 9.429 1.00 0.00 C ATOM 215 O GLY A 145 -2.108 0.137 9.715 1.00 0.00 O ATOM 0 H GLY A 145 -1.273 -3.713 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.642 -2.398 10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -1.169 -1.631 11.384 1.00 0.00 H new ATOM 219 N LYS A 146 -1.543 -1.412 8.185 1.00 0.00 N ATOM 220 CA LYS A 146 -1.641 -0.493 7.057 1.00 0.00 C ATOM 221 C LYS A 146 -3.098 -0.161 6.750 1.00 0.00 C ATOM 222 O LYS A 146 -4.011 -0.692 7.382 1.00 0.00 O ATOM 223 CB LYS A 146 -0.973 -1.099 5.820 1.00 0.00 C ATOM 224 CG LYS A 146 0.301 -0.384 5.405 1.00 0.00 C ATOM 225 CD LYS A 146 0.360 -0.177 3.901 1.00 0.00 C ATOM 226 CE LYS A 146 0.977 1.168 3.547 1.00 0.00 C ATOM 227 NZ LYS A 146 0.056 2.298 3.851 1.00 0.00 N ATOM 0 H LYS A 146 -1.276 -2.363 7.932 1.00 0.00 H new ATOM 0 HA LYS A 146 -1.126 0.429 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.744 -2.146 6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.679 -1.078 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.358 0.581 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.166 -0.963 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 146 0.943 -0.977 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.645 -0.238 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.907 1.298 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 146 1.233 1.183 2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 0.392 3.158 3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.900 2.067 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 0.032 2.459 4.878 1.00 0.00 H new ATOM 241 N SER A 147 -3.307 0.718 5.775 1.00 0.00 N ATOM 242 CA SER A 147 -4.654 1.122 5.386 1.00 0.00 C ATOM 243 C SER A 147 -4.681 1.598 3.937 1.00 0.00 C ATOM 244 O SER A 147 -3.806 2.347 3.501 1.00 0.00 O ATOM 245 CB SER A 147 -5.163 2.231 6.309 1.00 0.00 C ATOM 246 OG SER A 147 -4.472 3.446 6.075 1.00 0.00 O ATOM 0 H SER A 147 -2.562 1.164 5.240 1.00 0.00 H new ATOM 0 HA SER A 147 -5.308 0.255 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 147 -6.231 2.380 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 147 -5.035 1.930 7.349 1.00 0.00 H new ATOM 0 HG SER A 147 -4.817 4.139 6.676 1.00 0.00 H new ATOM 252 N PHE A 148 -5.691 1.157 3.195 1.00 0.00 N ATOM 253 CA PHE A 148 -5.833 1.536 1.794 1.00 0.00 C ATOM 254 C PHE A 148 -7.234 2.072 1.515 1.00 0.00 C ATOM 255 O PHE A 148 -8.151 1.891 2.316 1.00 0.00 O ATOM 256 CB PHE A 148 -5.543 0.338 0.887 1.00 0.00 C ATOM 257 CG PHE A 148 -4.140 -0.183 1.014 1.00 0.00 C ATOM 258 CD1 PHE A 148 -3.785 -1.006 2.071 1.00 0.00 C ATOM 259 CD2 PHE A 148 -3.176 0.149 0.075 1.00 0.00 C ATOM 260 CE1 PHE A 148 -2.495 -1.487 2.189 1.00 0.00 C ATOM 261 CE2 PHE A 148 -1.884 -0.329 0.189 1.00 0.00 C ATOM 262 CZ PHE A 148 -1.544 -1.149 1.247 1.00 0.00 C ATOM 0 H PHE A 148 -6.423 0.537 3.540 1.00 0.00 H new ATOM 0 HA PHE A 148 -5.112 2.326 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -6.243 -0.464 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -5.723 0.624 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -4.525 -1.274 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -3.437 0.788 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -2.231 -2.127 3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -1.141 -0.062 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 148 -0.536 -1.525 1.337 1.00 0.00 H new ATOM 272 N SER A 149 -7.392 2.734 0.373 1.00 0.00 N ATOM 273 CA SER A 149 -8.679 3.300 -0.011 1.00 0.00 C ATOM 274 C SER A 149 -9.279 2.538 -1.189 1.00 0.00 C ATOM 275 O SER A 149 -10.171 3.037 -1.874 1.00 0.00 O ATOM 276 CB SER A 149 -8.522 4.779 -0.372 1.00 0.00 C ATOM 277 OG SER A 149 -8.382 4.950 -1.772 1.00 0.00 O ATOM 0 H SER A 149 -6.644 2.891 -0.302 1.00 0.00 H new ATOM 0 HA SER A 149 -9.355 3.210 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.390 5.337 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 149 -7.650 5.190 0.137 1.00 0.00 H new ATOM 0 HG SER A 149 -9.200 4.651 -2.221 1.00 0.00 H new ATOM 283 N GLN A 150 -8.781 1.327 -1.417 1.00 0.00 N ATOM 284 CA GLN A 150 -9.267 0.496 -2.512 1.00 0.00 C ATOM 285 C GLN A 150 -9.228 -0.981 -2.133 1.00 0.00 C ATOM 286 O GLN A 150 -8.197 -1.493 -1.698 1.00 0.00 O ATOM 287 CB GLN A 150 -8.430 0.734 -3.770 1.00 0.00 C ATOM 288 CG GLN A 150 -8.170 2.203 -4.059 1.00 0.00 C ATOM 289 CD GLN A 150 -7.731 2.448 -5.489 1.00 0.00 C ATOM 290 OE1 GLN A 150 -6.542 2.388 -5.805 1.00 0.00 O ATOM 291 NE2 GLN A 150 -8.690 2.725 -6.364 1.00 0.00 N ATOM 0 H GLN A 150 -8.042 0.900 -0.859 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.302 0.773 -2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.475 0.219 -3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.939 0.289 -4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -9.076 2.775 -3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.403 2.573 -3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.663 2.765 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -8.454 2.898 -7.341 1.00 0.00 H new ATOM 300 N ARG A 151 -10.358 -1.660 -2.301 1.00 0.00 N ATOM 301 CA ARG A 151 -10.454 -3.077 -1.975 1.00 0.00 C ATOM 302 C ARG A 151 -9.357 -3.872 -2.677 1.00 0.00 C ATOM 303 O ARG A 151 -8.830 -4.840 -2.130 1.00 0.00 O ATOM 304 CB ARG A 151 -11.827 -3.622 -2.372 1.00 0.00 C ATOM 305 CG ARG A 151 -12.009 -5.099 -2.061 1.00 0.00 C ATOM 306 CD ARG A 151 -13.060 -5.316 -0.984 1.00 0.00 C ATOM 307 NE ARG A 151 -13.316 -6.735 -0.747 1.00 0.00 N ATOM 308 CZ ARG A 151 -14.092 -7.481 -1.524 1.00 0.00 C ATOM 309 NH1 ARG A 151 -14.686 -6.948 -2.583 1.00 0.00 N ATOM 310 NH2 ARG A 151 -14.276 -8.765 -1.243 1.00 0.00 N ATOM 0 H ARG A 151 -11.220 -1.251 -2.661 1.00 0.00 H new ATOM 0 HA ARG A 151 -10.325 -3.186 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -12.598 -3.052 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -11.977 -3.463 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -12.300 -5.630 -2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -11.059 -5.523 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -12.731 -4.847 -0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -13.987 -4.824 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 151 -12.874 -7.176 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -14.547 -5.962 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -15.281 -7.524 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -13.821 -9.179 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -14.872 -9.337 -1.841 1.00 0.00 H new ATOM 324 N GLY A 152 -9.019 -3.456 -3.894 1.00 0.00 N ATOM 325 CA GLY A 152 -7.987 -4.140 -4.652 1.00 0.00 C ATOM 326 C GLY A 152 -6.592 -3.810 -4.161 1.00 0.00 C ATOM 327 O GLY A 152 -5.731 -4.687 -4.080 1.00 0.00 O ATOM 0 H GLY A 152 -9.441 -2.658 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.146 -5.216 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -8.072 -3.868 -5.704 1.00 0.00 H new ATOM 331 N SER A 153 -6.366 -2.542 -3.834 1.00 0.00 N ATOM 332 CA SER A 153 -5.063 -2.097 -3.353 1.00 0.00 C ATOM 333 C SER A 153 -4.654 -2.866 -2.101 1.00 0.00 C ATOM 334 O SER A 153 -3.539 -3.384 -2.012 1.00 0.00 O ATOM 335 CB SER A 153 -5.090 -0.596 -3.057 1.00 0.00 C ATOM 336 OG SER A 153 -5.172 0.158 -4.254 1.00 0.00 O ATOM 0 H SER A 153 -7.068 -1.804 -3.893 1.00 0.00 H new ATOM 0 HA SER A 153 -4.329 -2.293 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 153 -5.942 -0.363 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 153 -4.192 -0.314 -2.507 1.00 0.00 H new ATOM 0 HG SER A 153 -5.190 1.114 -4.038 1.00 0.00 H new ATOM 342 N LEU A 154 -5.563 -2.938 -1.135 1.00 0.00 N ATOM 343 CA LEU A 154 -5.298 -3.644 0.114 1.00 0.00 C ATOM 344 C LEU A 154 -4.881 -5.086 -0.154 1.00 0.00 C ATOM 345 O LEU A 154 -3.879 -5.562 0.379 1.00 0.00 O ATOM 346 CB LEU A 154 -6.538 -3.618 1.010 1.00 0.00 C ATOM 347 CG LEU A 154 -6.571 -4.647 2.140 1.00 0.00 C ATOM 348 CD1 LEU A 154 -5.428 -4.406 3.115 1.00 0.00 C ATOM 349 CD2 LEU A 154 -7.909 -4.602 2.863 1.00 0.00 C ATOM 0 H LEU A 154 -6.490 -2.516 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 154 -4.478 -3.137 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -6.624 -2.624 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -7.417 -3.767 0.384 1.00 0.00 H new ATOM 0 HG LEU A 154 -6.448 -5.639 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -5.468 -5.148 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -4.477 -4.489 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -5.519 -3.408 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -7.915 -5.341 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -8.061 -3.609 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -8.711 -4.824 2.159 1.00 0.00 H new ATOM 361 N ALA A 155 -5.655 -5.776 -0.985 1.00 0.00 N ATOM 362 CA ALA A 155 -5.363 -7.163 -1.327 1.00 0.00 C ATOM 363 C ALA A 155 -3.917 -7.323 -1.783 1.00 0.00 C ATOM 364 O ALA A 155 -3.199 -8.203 -1.306 1.00 0.00 O ATOM 365 CB ALA A 155 -6.316 -7.651 -2.408 1.00 0.00 C ATOM 0 H ALA A 155 -6.489 -5.397 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 155 -5.504 -7.770 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -6.087 -8.688 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -7.342 -7.582 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -6.203 -7.033 -3.299 1.00 0.00 H new ATOM 371 N VAL A 156 -3.494 -6.468 -2.708 1.00 0.00 N ATOM 372 CA VAL A 156 -2.133 -6.514 -3.228 1.00 0.00 C ATOM 373 C VAL A 156 -1.111 -6.419 -2.101 1.00 0.00 C ATOM 374 O VAL A 156 -0.001 -6.942 -2.208 1.00 0.00 O ATOM 375 CB VAL A 156 -1.877 -5.378 -4.235 1.00 0.00 C ATOM 376 CG1 VAL A 156 -0.485 -5.499 -4.836 1.00 0.00 C ATOM 377 CG2 VAL A 156 -2.939 -5.383 -5.325 1.00 0.00 C ATOM 0 H VAL A 156 -4.075 -5.734 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.021 -7.472 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.936 -4.427 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -0.323 -4.687 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 156 0.260 -5.442 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -0.393 -6.455 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -2.743 -4.574 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -2.914 -6.336 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.922 -5.243 -4.876 1.00 0.00 H new ATOM 387 N HIS A 157 -1.492 -5.749 -1.018 1.00 0.00 N ATOM 388 CA HIS A 157 -0.609 -5.585 0.131 1.00 0.00 C ATOM 389 C HIS A 157 -0.803 -6.721 1.131 1.00 0.00 C ATOM 390 O HIS A 157 0.037 -6.943 2.002 1.00 0.00 O ATOM 391 CB HIS A 157 -0.866 -4.241 0.812 1.00 0.00 C ATOM 392 CG HIS A 157 -0.164 -4.091 2.126 1.00 0.00 C ATOM 393 ND1 HIS A 157 1.076 -3.502 2.253 1.00 0.00 N ATOM 394 CD2 HIS A 157 -0.535 -4.456 3.375 1.00 0.00 C ATOM 395 CE1 HIS A 157 1.438 -3.512 3.524 1.00 0.00 C ATOM 396 NE2 HIS A 157 0.477 -4.086 4.226 1.00 0.00 N ATOM 0 H HIS A 157 -2.407 -5.311 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 157 0.420 -5.611 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -0.548 -3.439 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -1.938 -4.121 0.967 1.00 0.00 H new ATOM 0 HD1 HIS A 157 1.628 -3.118 1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.456 -4.947 3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 157 2.362 -3.118 3.921 1.00 0.00 H new ATOM 404 N GLU A 158 -1.917 -7.435 0.999 1.00 0.00 N ATOM 405 CA GLU A 158 -2.221 -8.547 1.893 1.00 0.00 C ATOM 406 C GLU A 158 -1.698 -9.862 1.323 1.00 0.00 C ATOM 407 O GLU A 158 -1.636 -10.873 2.023 1.00 0.00 O ATOM 408 CB GLU A 158 -3.730 -8.644 2.127 1.00 0.00 C ATOM 409 CG GLU A 158 -4.333 -7.389 2.735 1.00 0.00 C ATOM 410 CD GLU A 158 -5.256 -7.690 3.899 1.00 0.00 C ATOM 411 OE1 GLU A 158 -6.244 -8.428 3.697 1.00 0.00 O ATOM 412 OE2 GLU A 158 -4.992 -7.189 5.012 1.00 0.00 O ATOM 0 H GLU A 158 -2.623 -7.264 0.283 1.00 0.00 H new ATOM 0 HA GLU A 158 -1.724 -8.361 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.224 -8.851 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -3.934 -9.490 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -3.531 -6.732 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.887 -6.848 1.968 1.00 0.00 H new ATOM 419 N ARG A 159 -1.324 -9.840 0.048 1.00 0.00 N ATOM 420 CA ARG A 159 -0.808 -11.031 -0.617 1.00 0.00 C ATOM 421 C ARG A 159 0.717 -11.008 -0.667 1.00 0.00 C ATOM 422 O ARG A 159 1.369 -12.041 -0.507 1.00 0.00 O ATOM 423 CB ARG A 159 -1.374 -11.134 -2.035 1.00 0.00 C ATOM 424 CG ARG A 159 -1.018 -9.951 -2.921 1.00 0.00 C ATOM 425 CD ARG A 159 0.153 -10.274 -3.837 1.00 0.00 C ATOM 426 NE ARG A 159 -0.133 -11.409 -4.711 1.00 0.00 N ATOM 427 CZ ARG A 159 0.735 -11.894 -5.592 1.00 0.00 C ATOM 428 NH1 ARG A 159 1.936 -11.346 -5.715 1.00 0.00 N ATOM 429 NH2 ARG A 159 0.401 -12.929 -6.352 1.00 0.00 N ATOM 0 H ARG A 159 -1.368 -9.011 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 159 -1.122 -11.903 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -1.005 -12.049 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -2.459 -11.221 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -1.884 -9.670 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -0.769 -9.091 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 159 0.391 -9.400 -4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.035 -10.493 -3.235 1.00 0.00 H new ATOM 0 HE ARG A 159 -1.049 -11.853 -4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.195 -10.550 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 159 2.600 -11.720 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -0.522 -13.352 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.068 -13.301 -7.028 1.00 0.00 H new ATOM 443 N LEU A 160 1.279 -9.826 -0.892 1.00 0.00 N ATOM 444 CA LEU A 160 2.727 -9.668 -0.963 1.00 0.00 C ATOM 445 C LEU A 160 3.365 -9.859 0.409 1.00 0.00 C ATOM 446 O LEU A 160 4.581 -10.012 0.525 1.00 0.00 O ATOM 447 CB LEU A 160 3.083 -8.287 -1.516 1.00 0.00 C ATOM 448 CG LEU A 160 3.571 -7.260 -0.493 1.00 0.00 C ATOM 449 CD1 LEU A 160 4.024 -5.987 -1.190 1.00 0.00 C ATOM 450 CD2 LEU A 160 2.478 -6.956 0.520 1.00 0.00 C ATOM 0 H LEU A 160 0.754 -8.962 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 160 3.118 -10.433 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 160 3.856 -8.410 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 160 2.205 -7.881 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 160 4.424 -7.682 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.368 -5.268 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.839 -6.218 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.190 -5.561 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.843 -6.224 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.606 -6.555 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.201 -7.872 1.043 1.00 0.00 H new ATOM 462 N HIS A 161 2.535 -9.850 1.448 1.00 0.00 N ATOM 463 CA HIS A 161 3.017 -10.025 2.813 1.00 0.00 C ATOM 464 C HIS A 161 3.856 -11.293 2.935 1.00 0.00 C ATOM 465 O HIS A 161 4.910 -11.295 3.571 1.00 0.00 O ATOM 466 CB HIS A 161 1.841 -10.082 3.788 1.00 0.00 C ATOM 467 CG HIS A 161 1.686 -8.841 4.614 1.00 0.00 C ATOM 468 ND1 HIS A 161 2.628 -8.426 5.532 1.00 0.00 N ATOM 469 CD2 HIS A 161 0.693 -7.923 4.655 1.00 0.00 C ATOM 470 CE1 HIS A 161 2.219 -7.307 6.102 1.00 0.00 C ATOM 471 NE2 HIS A 161 1.048 -6.980 5.587 1.00 0.00 N ATOM 0 H HIS A 161 1.526 -9.723 1.370 1.00 0.00 H new ATOM 0 HA HIS A 161 3.645 -9.170 3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 161 0.922 -10.252 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 161 1.971 -10.936 4.452 1.00 0.00 H new ATOM 0 HD1 HIS A 161 3.503 -8.908 5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -0.211 -7.931 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 161 2.752 -6.753 6.861 1.00 0.00 H new ATOM 479 N THR A 162 3.380 -12.373 2.321 1.00 0.00 N ATOM 480 CA THR A 162 4.085 -13.648 2.363 1.00 0.00 C ATOM 481 C THR A 162 5.433 -13.554 1.656 1.00 0.00 C ATOM 482 O THR A 162 5.616 -12.739 0.753 1.00 0.00 O ATOM 483 CB THR A 162 3.254 -14.770 1.712 1.00 0.00 C ATOM 484 OG1 THR A 162 3.995 -15.995 1.719 1.00 0.00 O ATOM 485 CG2 THR A 162 2.879 -14.407 0.283 1.00 0.00 C ATOM 0 H THR A 162 2.510 -12.389 1.789 1.00 0.00 H new ATOM 0 HA THR A 162 4.245 -13.887 3.414 1.00 0.00 H new ATOM 0 HB THR A 162 2.339 -14.896 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.459 -16.704 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.293 -15.214 -0.156 1.00 0.00 H new ATOM 0 HG22 THR A 162 2.290 -13.490 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.785 -14.256 -0.304 1.00 0.00 H new ATOM 493 N GLY A 163 6.374 -14.395 2.074 1.00 0.00 N ATOM 494 CA GLY A 163 7.694 -14.391 1.469 1.00 0.00 C ATOM 495 C GLY A 163 8.777 -14.822 2.439 1.00 0.00 C ATOM 496 O GLY A 163 8.962 -16.014 2.683 1.00 0.00 O ATOM 0 H GLY A 163 6.246 -15.079 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 163 7.697 -15.057 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 163 7.918 -13.390 1.100 1.00 0.00 H new ATOM 500 N SER A 164 9.495 -13.850 2.991 1.00 0.00 N ATOM 501 CA SER A 164 10.569 -14.135 3.935 1.00 0.00 C ATOM 502 C SER A 164 10.573 -13.122 5.076 1.00 0.00 C ATOM 503 O SER A 164 9.693 -12.267 5.165 1.00 0.00 O ATOM 504 CB SER A 164 11.922 -14.120 3.220 1.00 0.00 C ATOM 505 OG SER A 164 12.524 -15.403 3.241 1.00 0.00 O ATOM 0 H SER A 164 9.353 -12.858 2.801 1.00 0.00 H new ATOM 0 HA SER A 164 10.398 -15.127 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 164 11.788 -13.794 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 164 12.582 -13.397 3.699 1.00 0.00 H new ATOM 0 HG SER A 164 13.386 -15.367 2.777 1.00 0.00 H new ATOM 511 N GLY A 165 11.572 -13.226 5.948 1.00 0.00 N ATOM 512 CA GLY A 165 11.672 -12.314 7.072 1.00 0.00 C ATOM 513 C GLY A 165 12.973 -12.475 7.835 1.00 0.00 C ATOM 514 O GLY A 165 13.764 -13.381 7.571 1.00 0.00 O ATOM 0 H GLY A 165 12.313 -13.925 5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 165 11.590 -11.288 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.834 -12.483 7.749 1.00 0.00 H new ATOM 518 N PRO A 166 13.209 -11.580 8.805 1.00 0.00 N ATOM 519 CA PRO A 166 14.423 -11.605 9.627 1.00 0.00 C ATOM 520 C PRO A 166 14.451 -12.793 10.582 1.00 0.00 C ATOM 521 O PRO A 166 13.482 -13.547 10.679 1.00 0.00 O ATOM 522 CB PRO A 166 14.348 -10.292 10.410 1.00 0.00 C ATOM 523 CG PRO A 166 12.896 -9.963 10.462 1.00 0.00 C ATOM 524 CD PRO A 166 12.310 -10.474 9.174 1.00 0.00 C ATOM 0 HA PRO A 166 15.324 -11.705 9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 166 14.764 -10.404 11.411 1.00 0.00 H new ATOM 0 HB3 PRO A 166 14.915 -9.503 9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 166 12.420 -10.434 11.322 1.00 0.00 H new ATOM 0 HG3 PRO A 166 12.742 -8.888 10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 166 11.284 -10.818 9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 166 12.289 -9.700 8.407 1.00 0.00 H new ATOM 532 N SER A 167 15.567 -12.955 11.286 1.00 0.00 N ATOM 533 CA SER A 167 15.722 -14.054 12.231 1.00 0.00 C ATOM 534 C SER A 167 14.761 -13.900 13.406 1.00 0.00 C ATOM 535 O SER A 167 14.272 -14.887 13.956 1.00 0.00 O ATOM 536 CB SER A 167 17.163 -14.116 12.742 1.00 0.00 C ATOM 537 OG SER A 167 17.891 -12.964 12.354 1.00 0.00 O ATOM 0 H SER A 167 16.377 -12.339 11.219 1.00 0.00 H new ATOM 0 HA SER A 167 15.488 -14.983 11.711 1.00 0.00 H new ATOM 0 HB2 SER A 167 17.164 -14.202 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 167 17.653 -15.008 12.352 1.00 0.00 H new ATOM 0 HG SER A 167 17.498 -12.171 12.775 1.00 0.00 H new ATOM 543 N SER A 168 14.494 -12.655 13.785 1.00 0.00 N ATOM 544 CA SER A 168 13.595 -12.370 14.897 1.00 0.00 C ATOM 545 C SER A 168 12.231 -11.912 14.388 1.00 0.00 C ATOM 546 O SER A 168 11.608 -11.021 14.964 1.00 0.00 O ATOM 547 CB SER A 168 14.198 -11.299 15.807 1.00 0.00 C ATOM 548 OG SER A 168 13.828 -11.511 17.159 1.00 0.00 O ATOM 0 H SER A 168 14.888 -11.827 13.338 1.00 0.00 H new ATOM 0 HA SER A 168 13.461 -13.288 15.469 1.00 0.00 H new ATOM 0 HB2 SER A 168 15.284 -11.311 15.718 1.00 0.00 H new ATOM 0 HB3 SER A 168 13.863 -10.313 15.485 1.00 0.00 H new ATOM 0 HG SER A 168 14.227 -10.814 17.721 1.00 0.00 H new ATOM 554 N GLY A 169 11.773 -12.529 13.303 1.00 0.00 N ATOM 555 CA GLY A 169 10.486 -12.172 12.734 1.00 0.00 C ATOM 556 C GLY A 169 9.326 -12.589 13.617 1.00 0.00 C ATOM 557 O GLY A 169 8.343 -11.855 13.699 1.00 0.00 O ATOM 0 H GLY A 169 12.270 -13.269 12.808 1.00 0.00 H new ATOM 0 HA2 GLY A 169 10.449 -11.094 12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 169 10.382 -12.642 11.756 1.00 0.00 H new TER 561 GLY A 169 HETATM 562 ZN ZN A 201 0.234 -5.222 5.975 1.00 0.00 ZN