USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.2) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.2) USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.18) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 1.13 (180deg=1.08) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.04) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.15) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 84.728 5.293 3.330 1.00 0.00 N ATOM 65 CA LYS A 6 86.034 5.229 2.653 1.00 0.00 C ATOM 66 C LYS A 6 86.954 4.136 3.214 1.00 0.00 C ATOM 67 O LYS A 6 86.992 3.910 4.424 1.00 0.00 O ATOM 68 CB LYS A 6 86.672 6.636 2.762 1.00 0.00 C ATOM 69 CG LYS A 6 88.086 6.743 2.172 1.00 0.00 C ATOM 70 CD LYS A 6 88.525 8.210 2.037 1.00 0.00 C ATOM 71 CE LYS A 6 90.019 8.339 1.702 1.00 0.00 C ATOM 72 NZ LYS A 6 90.882 8.162 2.902 1.00 0.00 N ATOM 0 HA LYS A 6 85.889 4.950 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.026 7.354 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 6 86.708 6.924 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 6 88.790 6.208 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.112 6.262 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.936 8.694 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 6 88.316 8.737 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 6 90.287 7.595 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 6 90.208 9.318 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 91.839 7.886 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 90.928 9.056 3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 90.482 7.420 3.511 1.00 0.00 H new ATOM 86 N GLY A 7 87.720 3.483 2.334 1.00 0.00 N ATOM 87 CA GLY A 7 88.619 2.376 2.680 1.00 0.00 C ATOM 88 C GLY A 7 89.896 2.781 3.444 1.00 0.00 C ATOM 89 O GLY A 7 90.280 3.956 3.436 1.00 0.00 O ATOM 0 H GLY A 7 87.733 3.714 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 7 88.067 1.656 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 88.911 1.865 1.762 1.00 0.00 H new ATOM 93 N PRO A 8 90.572 1.815 4.098 1.00 0.00 N ATOM 94 CA PRO A 8 91.788 2.053 4.883 1.00 0.00 C ATOM 95 C PRO A 8 93.062 2.212 4.028 1.00 0.00 C ATOM 96 O PRO A 8 93.138 1.766 2.880 1.00 0.00 O ATOM 97 CB PRO A 8 91.896 0.834 5.808 1.00 0.00 C ATOM 98 CG PRO A 8 91.271 -0.285 4.979 1.00 0.00 C ATOM 99 CD PRO A 8 90.133 0.433 4.257 1.00 0.00 C ATOM 0 HA PRO A 8 91.714 2.998 5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 8 92.932 0.614 6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 8 91.360 0.990 6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 8 91.985 -0.719 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 8 90.905 -1.098 5.606 1.00 0.00 H new ATOM 0 HD2 PRO A 8 89.932 -0.027 3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 8 89.209 0.380 4.833 1.00 0.00 H new ATOM 107 N LYS A 9 94.093 2.827 4.622 1.00 0.00 N ATOM 108 CA LYS A 9 95.443 3.003 4.052 1.00 0.00 C ATOM 109 C LYS A 9 96.120 1.653 3.719 1.00 0.00 C ATOM 110 O LYS A 9 95.973 0.673 4.459 1.00 0.00 O ATOM 111 CB LYS A 9 96.265 3.822 5.070 1.00 0.00 C ATOM 112 CG LYS A 9 97.688 4.150 4.599 1.00 0.00 C ATOM 113 CD LYS A 9 98.420 5.011 5.637 1.00 0.00 C ATOM 114 CE LYS A 9 99.904 5.109 5.269 1.00 0.00 C ATOM 115 NZ LYS A 9 100.675 5.881 6.278 1.00 0.00 N ATOM 0 H LYS A 9 94.009 3.234 5.553 1.00 0.00 H new ATOM 0 HA LYS A 9 95.379 3.532 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 9 95.739 4.753 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 9 96.321 3.268 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 9 98.242 3.227 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 9 97.648 4.677 3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 9 97.978 6.007 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 9 98.309 4.575 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 9 100.323 4.107 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 9 100.006 5.584 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 101.693 5.729 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 100.458 6.893 6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 100.414 5.562 7.233 1.00 0.00 H new ATOM 129 N GLY A 10 96.882 1.613 2.619 1.00 0.00 N ATOM 130 CA GLY A 10 97.616 0.428 2.153 1.00 0.00 C ATOM 131 C GLY A 10 98.919 0.124 2.921 1.00 0.00 C ATOM 132 O GLY A 10 99.399 0.960 3.695 1.00 0.00 O ATOM 0 H GLY A 10 97.009 2.423 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 10 96.959 -0.439 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 10 97.856 0.560 1.098 1.00 0.00 H new ATOM 136 N PRO A 11 99.514 -1.069 2.720 1.00 0.00 N ATOM 137 CA PRO A 11 100.704 -1.524 3.449 1.00 0.00 C ATOM 138 C PRO A 11 102.014 -0.874 2.966 1.00 0.00 C ATOM 139 O PRO A 11 102.170 -0.539 1.788 1.00 0.00 O ATOM 140 CB PRO A 11 100.739 -3.043 3.235 1.00 0.00 C ATOM 141 CG PRO A 11 100.082 -3.222 1.867 1.00 0.00 C ATOM 142 CD PRO A 11 99.007 -2.135 1.865 1.00 0.00 C ATOM 0 HA PRO A 11 100.635 -1.239 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 11 101.759 -3.427 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 11 100.192 -3.572 4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 11 100.796 -3.087 1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 11 99.652 -4.217 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 11 98.822 -1.770 0.855 1.00 0.00 H new ATOM 0 HD3 PRO A 11 98.060 -2.521 2.243 1.00 0.00 H new ATOM 150 N LYS A 12 102.985 -0.741 3.881 1.00 0.00 N ATOM 151 CA LYS A 12 104.359 -0.274 3.609 1.00 0.00 C ATOM 152 C LYS A 12 105.097 -1.192 2.618 1.00 0.00 C ATOM 153 O LYS A 12 104.933 -2.415 2.649 1.00 0.00 O ATOM 154 CB LYS A 12 105.093 -0.159 4.964 1.00 0.00 C ATOM 155 CG LYS A 12 106.541 0.344 4.856 1.00 0.00 C ATOM 156 CD LYS A 12 107.091 0.702 6.246 1.00 0.00 C ATOM 157 CE LYS A 12 108.584 1.059 6.210 1.00 0.00 C ATOM 158 NZ LYS A 12 109.452 -0.150 6.231 1.00 0.00 N ATOM 0 H LYS A 12 102.834 -0.962 4.865 1.00 0.00 H new ATOM 0 HA LYS A 12 104.331 0.701 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 12 104.533 0.516 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.095 -1.136 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 12 107.165 -0.423 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 12 106.581 1.218 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 12 106.529 1.543 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.937 -0.139 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 12 108.795 1.640 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 12 108.825 1.692 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 110.449 0.137 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 109.308 -0.665 7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 109.207 -0.767 5.431 1.00 0.00 H new ATOM 172 N GLY A 13 105.916 -0.600 1.745 1.00 0.00 N ATOM 173 CA GLY A 13 106.631 -1.301 0.668 1.00 0.00 C ATOM 174 C GLY A 13 107.868 -2.109 1.113 1.00 0.00 C ATOM 175 O GLY A 13 108.336 -1.957 2.248 1.00 0.00 O ATOM 0 H GLY A 13 106.107 0.402 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 13 105.935 -1.978 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 13 106.945 -0.567 -0.075 1.00 0.00 H new ATOM 179 N PRO A 14 108.413 -2.970 0.229 1.00 0.00 N ATOM 180 CA PRO A 14 109.538 -3.858 0.537 1.00 0.00 C ATOM 181 C PRO A 14 110.903 -3.145 0.522 1.00 0.00 C ATOM 182 O PRO A 14 111.120 -2.174 -0.210 1.00 0.00 O ATOM 183 CB PRO A 14 109.480 -4.948 -0.540 1.00 0.00 C ATOM 184 CG PRO A 14 108.901 -4.214 -1.747 1.00 0.00 C ATOM 185 CD PRO A 14 107.903 -3.247 -1.109 1.00 0.00 C ATOM 0 HA PRO A 14 109.449 -4.251 1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 14 110.468 -5.357 -0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 14 108.849 -5.782 -0.235 1.00 0.00 H new ATOM 0 HG2 PRO A 14 109.673 -3.687 -2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 14 108.414 -4.899 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 14 107.820 -2.330 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 14 106.907 -3.687 -1.064 1.00 0.00 H new ATOM 193 N LYS A 15 111.853 -3.672 1.304 1.00 0.00 N ATOM 194 CA LYS A 15 113.258 -3.225 1.341 1.00 0.00 C ATOM 195 C LYS A 15 113.933 -3.355 -0.037 1.00 0.00 C ATOM 196 O LYS A 15 113.712 -4.337 -0.753 1.00 0.00 O ATOM 197 CB LYS A 15 113.990 -4.042 2.423 1.00 0.00 C ATOM 198 CG LYS A 15 115.440 -3.591 2.661 1.00 0.00 C ATOM 199 CD LYS A 15 116.060 -4.388 3.819 1.00 0.00 C ATOM 200 CE LYS A 15 117.581 -4.215 3.922 1.00 0.00 C ATOM 201 NZ LYS A 15 117.997 -2.856 4.364 1.00 0.00 N ATOM 0 H LYS A 15 111.665 -4.441 1.947 1.00 0.00 H new ATOM 0 HA LYS A 15 113.303 -2.165 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 15 113.437 -3.967 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 15 113.988 -5.093 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 15 116.027 -3.736 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 15 115.464 -2.525 2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 15 115.600 -4.073 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 15 115.828 -5.445 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 15 117.976 -4.952 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 15 118.029 -4.425 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 119.022 -2.847 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 117.769 -2.165 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 117.491 -2.605 5.238 1.00 0.00 H new ATOM 215 N GLY A 16 114.764 -2.375 -0.401 1.00 0.00 N ATOM 216 CA GLY A 16 115.488 -2.340 -1.681 1.00 0.00 C ATOM 217 C GLY A 16 116.605 -3.396 -1.827 1.00 0.00 C ATOM 218 O GLY A 16 117.008 -4.015 -0.836 1.00 0.00 O ATOM 0 H GLY A 16 114.958 -1.569 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 16 114.771 -2.477 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 16 115.926 -1.350 -1.807 1.00 0.00 H new ATOM 222 N PRO A 17 117.127 -3.612 -3.051 1.00 0.00 N ATOM 223 CA PRO A 17 118.192 -4.585 -3.327 1.00 0.00 C ATOM 224 C PRO A 17 119.589 -4.076 -2.921 1.00 0.00 C ATOM 225 O PRO A 17 119.845 -2.871 -2.886 1.00 0.00 O ATOM 226 CB PRO A 17 118.104 -4.836 -4.836 1.00 0.00 C ATOM 227 CG PRO A 17 117.606 -3.500 -5.387 1.00 0.00 C ATOM 228 CD PRO A 17 116.666 -2.998 -4.291 1.00 0.00 C ATOM 0 HA PRO A 17 118.056 -5.494 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 17 119.073 -5.108 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 17 117.416 -5.649 -5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 17 118.428 -2.805 -5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 17 117.086 -3.625 -6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 17 116.694 -1.911 -4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 17 115.634 -3.277 -4.504 1.00 0.00 H new ATOM 236 N LYS A 18 120.515 -4.999 -2.634 1.00 0.00 N ATOM 237 CA LYS A 18 121.902 -4.719 -2.201 1.00 0.00 C ATOM 238 C LYS A 18 122.700 -3.867 -3.214 1.00 0.00 C ATOM 239 O LYS A 18 122.506 -3.984 -4.427 1.00 0.00 O ATOM 240 CB LYS A 18 122.579 -6.076 -1.925 1.00 0.00 C ATOM 241 CG LYS A 18 123.969 -5.952 -1.287 1.00 0.00 C ATOM 242 CD LYS A 18 124.560 -7.332 -0.970 1.00 0.00 C ATOM 243 CE LYS A 18 125.998 -7.191 -0.452 1.00 0.00 C ATOM 244 NZ LYS A 18 126.615 -8.518 -0.183 1.00 0.00 N ATOM 0 H LYS A 18 120.319 -5.998 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 18 121.881 -4.110 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.939 -6.665 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 18 122.667 -6.626 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 18 124.635 -5.415 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 18 123.901 -5.364 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.945 -7.835 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 18 124.548 -7.954 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 18 126.598 -6.652 -1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 18 126.000 -6.596 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 127.612 -8.390 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 126.106 -8.986 0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 126.559 -9.107 -1.038 1.00 0.00 H new ATOM 258 N GLY A 19 123.612 -3.027 -2.712 1.00 0.00 N ATOM 259 CA GLY A 19 124.453 -2.121 -3.515 1.00 0.00 C ATOM 260 C GLY A 19 125.663 -2.769 -4.227 1.00 0.00 C ATOM 261 O GLY A 19 125.956 -3.949 -4.006 1.00 0.00 O ATOM 0 H GLY A 19 123.793 -2.954 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 19 123.824 -1.648 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 19 124.822 -1.328 -2.864 1.00 0.00 H new ATOM 265 N PRO A 20 126.380 -2.009 -5.083 1.00 0.00 N ATOM 266 CA PRO A 20 127.535 -2.486 -5.859 1.00 0.00 C ATOM 267 C PRO A 20 128.848 -2.513 -5.051 1.00 0.00 C ATOM 268 O PRO A 20 129.026 -1.745 -4.103 1.00 0.00 O ATOM 269 CB PRO A 20 127.639 -1.499 -7.028 1.00 0.00 C ATOM 270 CG PRO A 20 127.153 -0.184 -6.418 1.00 0.00 C ATOM 271 CD PRO A 20 126.050 -0.639 -5.463 1.00 0.00 C ATOM 0 HA PRO A 20 127.389 -3.519 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 20 128.661 -1.418 -7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 20 127.019 -1.806 -7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 20 127.953 0.338 -5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 20 126.773 0.498 -7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 20 126.003 0.007 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 20 125.074 -0.593 -5.946 1.00 0.00 H new ATOM 279 N LYS A 21 129.800 -3.372 -5.448 1.00 0.00 N ATOM 280 CA LYS A 21 131.126 -3.540 -4.808 1.00 0.00 C ATOM 281 C LYS A 21 131.909 -2.214 -4.685 1.00 0.00 C ATOM 282 O LYS A 21 131.883 -1.379 -5.593 1.00 0.00 O ATOM 283 CB LYS A 21 131.922 -4.598 -5.608 1.00 0.00 C ATOM 284 CG LYS A 21 133.305 -4.893 -5.004 1.00 0.00 C ATOM 285 CD LYS A 21 134.049 -6.004 -5.757 1.00 0.00 C ATOM 286 CE LYS A 21 135.496 -6.064 -5.250 1.00 0.00 C ATOM 287 NZ LYS A 21 136.298 -7.098 -5.953 1.00 0.00 N ATOM 0 H LYS A 21 129.670 -3.991 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 21 130.977 -3.879 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 21 131.346 -5.522 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 21 132.046 -4.252 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 21 133.906 -3.984 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 21 133.188 -5.182 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 21 133.554 -6.963 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 21 134.033 -5.809 -6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 21 135.966 -5.090 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 21 135.495 -6.273 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 137.308 -6.948 -5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 136.017 -8.042 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 136.132 -7.029 -6.977 1.00 0.00 H new ATOM 301 N GLY A 22 132.631 -2.041 -3.572 1.00 0.00 N ATOM 302 CA GLY A 22 133.437 -0.846 -3.276 1.00 0.00 C ATOM 303 C GLY A 22 134.770 -0.739 -4.048 1.00 0.00 C ATOM 304 O GLY A 22 135.225 -1.721 -4.644 1.00 0.00 O ATOM 0 H GLY A 22 132.674 -2.743 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 22 132.838 0.038 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 22 133.653 -0.829 -2.208 1.00 0.00 H new ATOM 308 N PRO A 23 135.419 0.444 -4.035 1.00 0.00 N ATOM 309 CA PRO A 23 136.688 0.690 -4.728 1.00 0.00 C ATOM 310 C PRO A 23 137.909 0.145 -3.961 1.00 0.00 C ATOM 311 O PRO A 23 137.896 0.013 -2.733 1.00 0.00 O ATOM 312 CB PRO A 23 136.760 2.215 -4.866 1.00 0.00 C ATOM 313 CG PRO A 23 136.036 2.712 -3.616 1.00 0.00 C ATOM 314 CD PRO A 23 134.932 1.673 -3.420 1.00 0.00 C ATOM 0 HA PRO A 23 136.717 0.174 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 23 137.791 2.568 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 23 136.273 2.560 -5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 23 136.703 2.759 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 23 135.628 3.713 -3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 23 134.722 1.522 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 23 134.002 2.000 -3.886 1.00 0.00 H new ATOM 322 N LYS A 24 138.998 -0.133 -4.690 1.00 0.00 N ATOM 323 CA LYS A 24 140.297 -0.567 -4.139 1.00 0.00 C ATOM 324 C LYS A 24 140.872 0.458 -3.142 1.00 0.00 C ATOM 325 O LYS A 24 140.767 1.669 -3.358 1.00 0.00 O ATOM 326 CB LYS A 24 141.253 -0.820 -5.323 1.00 0.00 C ATOM 327 CG LYS A 24 142.638 -1.352 -4.916 1.00 0.00 C ATOM 328 CD LYS A 24 143.483 -1.637 -6.168 1.00 0.00 C ATOM 329 CE LYS A 24 144.970 -1.851 -5.855 1.00 0.00 C ATOM 330 NZ LYS A 24 145.259 -3.170 -5.232 1.00 0.00 N ATOM 0 H LYS A 24 139.004 -0.062 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 24 140.166 -1.486 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 24 140.788 -1.533 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 24 141.382 0.111 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 24 143.145 -0.623 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 24 142.528 -2.263 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 24 143.092 -2.523 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 24 143.381 -0.805 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 24 145.544 -1.759 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 24 145.311 -1.060 -5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 146.277 -3.243 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 144.723 -3.260 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 144.979 -3.931 -5.884 1.00 0.00 H new ATOM 344 N GLY A 25 141.493 -0.027 -2.064 1.00 0.00 N ATOM 345 CA GLY A 25 142.119 0.809 -1.028 1.00 0.00 C ATOM 346 C GLY A 25 143.388 1.558 -1.491 1.00 0.00 C ATOM 347 O GLY A 25 143.995 1.183 -2.500 1.00 0.00 O ATOM 0 H GLY A 25 141.578 -1.027 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 25 141.389 1.539 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 25 142.375 0.179 -0.176 1.00 0.00 H new ATOM 351 N PRO A 26 143.818 2.608 -0.762 1.00 0.00 N ATOM 352 CA PRO A 26 144.994 3.413 -1.110 1.00 0.00 C ATOM 353 C PRO A 26 146.328 2.706 -0.804 1.00 0.00 C ATOM 354 O PRO A 26 146.404 1.818 0.051 1.00 0.00 O ATOM 355 CB PRO A 26 144.847 4.698 -0.285 1.00 0.00 C ATOM 356 CG PRO A 26 144.100 4.227 0.960 1.00 0.00 C ATOM 357 CD PRO A 26 143.145 3.173 0.402 1.00 0.00 C ATOM 0 HA PRO A 26 145.029 3.600 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 26 145.816 5.129 -0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 26 144.288 5.462 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 26 144.777 3.806 1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 26 143.564 5.044 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 26 142.934 2.403 1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 26 142.190 3.618 0.124 1.00 0.00 H new ATOM 365 N LYS A 27 147.406 3.136 -1.477 1.00 0.00 N ATOM 366 CA LYS A 27 148.784 2.672 -1.221 1.00 0.00 C ATOM 367 C LYS A 27 149.217 2.960 0.228 1.00 0.00 C ATOM 368 O LYS A 27 148.827 3.977 0.810 1.00 0.00 O ATOM 369 CB LYS A 27 149.737 3.315 -2.253 1.00 0.00 C ATOM 370 CG LYS A 27 151.167 2.747 -2.190 1.00 0.00 C ATOM 371 CD LYS A 27 152.066 3.301 -3.306 1.00 0.00 C ATOM 372 CE LYS A 27 153.472 2.701 -3.169 1.00 0.00 C ATOM 373 NZ LYS A 27 154.423 3.241 -4.177 1.00 0.00 N ATOM 0 H LYS A 27 147.347 3.826 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 27 148.826 1.589 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 27 149.335 3.162 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 27 149.772 4.391 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 27 151.607 2.984 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 151.127 1.660 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 27 151.647 3.056 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 27 152.114 4.388 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 27 153.854 2.904 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 153.413 1.618 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 155.357 2.804 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 154.075 3.025 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.503 4.272 -4.062 1.00 0.00 H new ATOM 387 N GLY A 28 150.027 2.067 0.802 1.00 0.00 N ATOM 388 CA GLY A 28 150.539 2.185 2.175 1.00 0.00 C ATOM 389 C GLY A 28 151.479 3.382 2.426 1.00 0.00 C ATOM 390 O GLY A 28 151.906 4.051 1.478 1.00 0.00 O ATOM 0 H GLY A 28 150.352 1.228 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 28 149.691 2.260 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 28 151.070 1.267 2.427 1.00 0.00 H new ATOM 394 N PRO A 29 151.826 3.661 3.699 1.00 0.00 N ATOM 395 CA PRO A 29 152.658 4.806 4.077 1.00 0.00 C ATOM 396 C PRO A 29 154.104 4.671 3.566 1.00 0.00 C ATOM 397 O PRO A 29 154.735 3.619 3.720 1.00 0.00 O ATOM 398 CB PRO A 29 152.581 4.885 5.607 1.00 0.00 C ATOM 399 CG PRO A 29 152.241 3.459 6.038 1.00 0.00 C ATOM 400 CD PRO A 29 151.391 2.931 4.883 1.00 0.00 C ATOM 0 HA PRO A 29 152.297 5.726 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 29 153.526 5.217 6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 29 151.818 5.592 5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 29 153.139 2.858 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 29 151.692 3.444 6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 29 151.532 1.858 4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 29 150.330 3.093 5.073 1.00 0.00 H new ATOM 508 N GLY B 39 90.803 3.802 -0.364 1.00 0.00 N ATOM 509 CA GLY B 39 91.823 4.158 0.627 1.00 0.00 C ATOM 510 C GLY B 39 93.147 4.648 0.016 1.00 0.00 C ATOM 511 O GLY B 39 93.407 4.494 -1.179 1.00 0.00 O ATOM 0 HA2 GLY B 39 91.426 4.936 1.278 1.00 0.00 H new ATOM 0 HA3 GLY B 39 92.024 3.289 1.254 1.00 0.00 H new ATOM 515 N ASP B 40 93.990 5.261 0.851 1.00 0.00 N ATOM 516 CA ASP B 40 95.237 5.921 0.447 1.00 0.00 C ATOM 517 C ASP B 40 96.437 4.957 0.254 1.00 0.00 C ATOM 518 O ASP B 40 96.518 3.936 0.946 1.00 0.00 O ATOM 519 CB ASP B 40 95.579 6.958 1.525 1.00 0.00 C ATOM 520 CG ASP B 40 94.573 8.119 1.532 1.00 0.00 C ATOM 521 OD1 ASP B 40 94.756 9.080 0.745 1.00 0.00 O ATOM 522 OD2 ASP B 40 93.593 8.068 2.316 1.00 0.00 O ATOM 0 H ASP B 40 93.820 5.314 1.855 1.00 0.00 H new ATOM 0 HA ASP B 40 95.069 6.374 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP B 40 95.588 6.477 2.503 1.00 0.00 H new ATOM 0 HB3 ASP B 40 96.583 7.346 1.352 1.00 0.00 H new ATOM 542 N GLY B 42 100.173 3.157 0.560 1.00 0.00 N ATOM 543 CA GLY B 42 101.124 2.868 1.644 1.00 0.00 C ATOM 544 C GLY B 42 102.474 3.601 1.525 1.00 0.00 C ATOM 545 O GLY B 42 102.811 4.164 0.481 1.00 0.00 O ATOM 0 HA2 GLY B 42 100.663 3.135 2.595 1.00 0.00 H new ATOM 0 HA3 GLY B 42 101.310 1.794 1.670 1.00 0.00 H new ATOM 549 N ASP B 43 103.260 3.594 2.608 1.00 0.00 N ATOM 550 CA ASP B 43 104.578 4.241 2.688 1.00 0.00 C ATOM 551 C ASP B 43 105.682 3.501 1.891 1.00 0.00 C ATOM 552 O ASP B 43 105.661 2.267 1.823 1.00 0.00 O ATOM 553 CB ASP B 43 104.986 4.332 4.164 1.00 0.00 C ATOM 554 CG ASP B 43 104.281 5.494 4.875 1.00 0.00 C ATOM 555 OD1 ASP B 43 104.711 6.659 4.699 1.00 0.00 O ATOM 556 OD2 ASP B 43 103.293 5.253 5.609 1.00 0.00 O ATOM 0 H ASP B 43 102.992 3.128 3.475 1.00 0.00 H new ATOM 0 HA ASP B 43 104.484 5.228 2.235 1.00 0.00 H new ATOM 0 HB2 ASP B 43 104.743 3.396 4.667 1.00 0.00 H new ATOM 0 HB3 ASP B 43 106.066 4.462 4.236 1.00 0.00 H new ATOM 576 N GLY B 45 109.240 1.592 0.932 1.00 0.00 N ATOM 577 CA GLY B 45 110.174 0.680 1.601 1.00 0.00 C ATOM 578 C GLY B 45 111.542 1.305 1.920 1.00 0.00 C ATOM 579 O GLY B 45 111.917 2.349 1.379 1.00 0.00 O ATOM 0 HA2 GLY B 45 109.721 0.330 2.529 1.00 0.00 H new ATOM 0 HA3 GLY B 45 110.325 -0.196 0.970 1.00 0.00 H new ATOM 583 N ASP B 46 112.299 0.660 2.812 1.00 0.00 N ATOM 584 CA ASP B 46 113.631 1.101 3.240 1.00 0.00 C ATOM 585 C ASP B 46 114.724 0.819 2.182 1.00 0.00 C ATOM 586 O ASP B 46 114.595 -0.140 1.413 1.00 0.00 O ATOM 587 CB ASP B 46 113.976 0.384 4.553 1.00 0.00 C ATOM 588 CG ASP B 46 113.226 0.997 5.744 1.00 0.00 C ATOM 589 OD1 ASP B 46 113.712 2.008 6.307 1.00 0.00 O ATOM 590 OD2 ASP B 46 112.151 0.469 6.117 1.00 0.00 O ATOM 0 H ASP B 46 111.997 -0.202 3.267 1.00 0.00 H new ATOM 0 HA ASP B 46 113.605 2.182 3.377 1.00 0.00 H new ATOM 0 HB2 ASP B 46 113.724 -0.673 4.468 1.00 0.00 H new ATOM 0 HB3 ASP B 46 115.050 0.443 4.729 1.00 0.00 H new ATOM 610 N GLY B 48 118.153 -0.559 0.279 1.00 0.00 N ATOM 611 CA GLY B 48 118.996 -1.756 0.300 1.00 0.00 C ATOM 612 C GLY B 48 120.271 -1.593 1.136 1.00 0.00 C ATOM 613 O GLY B 48 120.691 -0.480 1.461 1.00 0.00 O ATOM 0 HA2 GLY B 48 118.417 -2.591 0.694 1.00 0.00 H new ATOM 0 HA3 GLY B 48 119.272 -2.014 -0.722 1.00 0.00 H new ATOM 617 N ASP B 49 120.895 -2.716 1.492 1.00 0.00 N ATOM 618 CA ASP B 49 122.131 -2.740 2.271 1.00 0.00 C ATOM 619 C ASP B 49 123.367 -2.394 1.408 1.00 0.00 C ATOM 620 O ASP B 49 123.337 -2.602 0.188 1.00 0.00 O ATOM 621 CB ASP B 49 122.257 -4.137 2.890 1.00 0.00 C ATOM 622 CG ASP B 49 121.186 -4.424 3.959 1.00 0.00 C ATOM 623 OD1 ASP B 49 120.718 -3.481 4.646 1.00 0.00 O ATOM 624 OD2 ASP B 49 120.793 -5.605 4.110 1.00 0.00 O ATOM 0 H ASP B 49 120.552 -3.644 1.244 1.00 0.00 H new ATOM 0 HA ASP B 49 122.091 -1.979 3.050 1.00 0.00 H new ATOM 0 HB2 ASP B 49 122.184 -4.885 2.101 1.00 0.00 H new ATOM 0 HB3 ASP B 49 123.245 -4.242 3.337 1.00 0.00 H new ATOM 644 N GLY B 51 126.964 -2.442 -0.619 1.00 0.00 N ATOM 645 CA GLY B 51 127.770 -3.411 -1.367 1.00 0.00 C ATOM 646 C GLY B 51 128.914 -4.044 -0.564 1.00 0.00 C ATOM 647 O GLY B 51 129.229 -3.632 0.555 1.00 0.00 O ATOM 0 HA2 GLY B 51 127.116 -4.204 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY B 51 128.189 -2.916 -2.243 1.00 0.00 H new ATOM 651 N ASP B 52 129.562 -5.053 -1.150 1.00 0.00 N ATOM 652 CA ASP B 52 130.714 -5.719 -0.551 1.00 0.00 C ATOM 653 C ASP B 52 131.973 -4.817 -0.558 1.00 0.00 C ATOM 654 O ASP B 52 132.134 -4.008 -1.482 1.00 0.00 O ATOM 655 CB ASP B 52 130.954 -7.017 -1.328 1.00 0.00 C ATOM 656 CG ASP B 52 129.794 -8.013 -1.155 1.00 0.00 C ATOM 657 OD1 ASP B 52 129.417 -8.326 0.002 1.00 0.00 O ATOM 658 OD2 ASP B 52 129.226 -8.468 -2.176 1.00 0.00 O ATOM 0 H ASP B 52 129.298 -5.431 -2.060 1.00 0.00 H new ATOM 0 HA ASP B 52 130.509 -5.937 0.497 1.00 0.00 H new ATOM 0 HB2 ASP B 52 131.081 -6.788 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP B 52 131.881 -7.477 -0.988 1.00 0.00 H new ATOM 678 N GLY B 54 135.712 -3.224 -1.125 1.00 0.00 N ATOM 679 CA GLY B 54 136.721 -3.244 -2.190 1.00 0.00 C ATOM 680 C GLY B 54 138.006 -4.004 -1.823 1.00 0.00 C ATOM 681 O GLY B 54 138.224 -4.386 -0.671 1.00 0.00 O ATOM 0 HA2 GLY B 54 136.285 -3.697 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY B 54 136.980 -2.218 -2.449 1.00 0.00 H new ATOM 685 N ASP B 55 138.871 -4.227 -2.816 1.00 0.00 N ATOM 686 CA ASP B 55 140.140 -4.947 -2.653 1.00 0.00 C ATOM 687 C ASP B 55 141.207 -4.144 -1.867 1.00 0.00 C ATOM 688 O ASP B 55 141.205 -2.909 -1.914 1.00 0.00 O ATOM 689 CB ASP B 55 140.669 -5.327 -4.044 1.00 0.00 C ATOM 690 CG ASP B 55 139.964 -6.579 -4.590 1.00 0.00 C ATOM 691 OD1 ASP B 55 140.445 -7.705 -4.317 1.00 0.00 O ATOM 692 OD2 ASP B 55 138.925 -6.447 -5.282 1.00 0.00 O ATOM 0 H ASP B 55 138.708 -3.908 -3.771 1.00 0.00 H new ATOM 0 HA ASP B 55 139.943 -5.838 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP B 55 140.519 -4.495 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP B 55 141.743 -5.507 -3.990 1.00 0.00 H new ATOM 712 N GLY B 57 144.653 -2.152 -0.793 1.00 0.00 N ATOM 713 CA GLY B 57 145.703 -1.338 -1.413 1.00 0.00 C ATOM 714 C GLY B 57 147.090 -1.988 -1.343 1.00 0.00 C ATOM 715 O GLY B 57 147.338 -2.888 -0.542 1.00 0.00 O ATOM 0 HA2 GLY B 57 145.445 -1.158 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY B 57 145.739 -0.366 -0.921 1.00 0.00 H new ATOM 719 N ASP B 58 147.989 -1.566 -2.230 1.00 0.00 N ATOM 720 CA ASP B 58 149.357 -2.087 -2.355 1.00 0.00 C ATOM 721 C ASP B 58 150.380 -1.480 -1.358 1.00 0.00 C ATOM 722 O ASP B 58 150.138 -0.402 -0.805 1.00 0.00 O ATOM 723 CB ASP B 58 149.777 -1.964 -3.823 1.00 0.00 C ATOM 724 CG ASP B 58 149.182 -3.124 -4.637 1.00 0.00 C ATOM 725 OD1 ASP B 58 148.038 -3.003 -5.136 1.00 0.00 O ATOM 726 OD2 ASP B 58 149.848 -4.183 -4.745 1.00 0.00 O ATOM 0 H ASP B 58 147.783 -0.829 -2.905 1.00 0.00 H new ATOM 0 HA ASP B 58 149.354 -3.137 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP B 58 149.437 -1.011 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP B 58 150.864 -1.974 -3.901 1.00 0.00 H new ATOM 898 N GLY C 74 102.783 0.540 -0.839 1.00 0.00 N ATOM 899 CA GLY C 74 103.903 1.457 -1.059 1.00 0.00 C ATOM 900 C GLY C 74 104.993 0.855 -1.968 1.00 0.00 C ATOM 901 O GLY C 74 105.106 -0.373 -2.062 1.00 0.00 O ATOM 0 HA2 GLY C 74 103.531 2.379 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY C 74 104.343 1.724 -0.098 1.00 0.00 H new ATOM 905 N PRO C 75 105.803 1.689 -2.647 1.00 0.00 N ATOM 906 CA PRO C 75 106.811 1.222 -3.602 1.00 0.00 C ATOM 907 C PRO C 75 108.045 0.587 -2.921 1.00 0.00 C ATOM 908 O PRO C 75 108.321 0.878 -1.750 1.00 0.00 O ATOM 909 CB PRO C 75 107.202 2.469 -4.405 1.00 0.00 C ATOM 910 CG PRO C 75 106.962 3.615 -3.423 1.00 0.00 C ATOM 911 CD PRO C 75 105.735 3.144 -2.646 1.00 0.00 C ATOM 0 HA PRO C 75 106.408 0.427 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO C 75 108.242 2.428 -4.728 1.00 0.00 H new ATOM 0 HB3 PRO C 75 106.593 2.576 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO C 75 107.819 3.773 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO C 75 106.777 4.557 -3.939 1.00 0.00 H new ATOM 0 HD2 PRO C 75 105.742 3.536 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO C 75 104.816 3.493 -3.116 1.00 0.00 H new ATOM 934 N GLY C 77 111.956 0.201 -1.798 1.00 0.00 N ATOM 935 CA GLY C 77 113.089 1.085 -1.503 1.00 0.00 C ATOM 936 C GLY C 77 114.171 1.065 -2.602 1.00 0.00 C ATOM 937 O GLY C 77 114.200 0.141 -3.425 1.00 0.00 O ATOM 0 HA2 GLY C 77 112.724 2.105 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY C 77 113.537 0.788 -0.555 1.00 0.00 H new ATOM 941 N PRO C 78 115.074 2.063 -2.635 1.00 0.00 N ATOM 942 CA PRO C 78 116.113 2.171 -3.662 1.00 0.00 C ATOM 943 C PRO C 78 117.242 1.132 -3.488 1.00 0.00 C ATOM 944 O PRO C 78 117.438 0.616 -2.379 1.00 0.00 O ATOM 945 CB PRO C 78 116.653 3.601 -3.528 1.00 0.00 C ATOM 946 CG PRO C 78 116.436 3.923 -2.050 1.00 0.00 C ATOM 947 CD PRO C 78 115.122 3.210 -1.737 1.00 0.00 C ATOM 0 HA PRO C 78 115.703 1.968 -4.651 1.00 0.00 H new ATOM 0 HB2 PRO C 78 117.706 3.660 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO C 78 116.116 4.296 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO C 78 117.254 3.554 -1.431 1.00 0.00 H new ATOM 0 HG3 PRO C 78 116.365 4.997 -1.876 1.00 0.00 H new ATOM 0 HD2 PRO C 78 115.087 2.893 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO C 78 114.270 3.870 -1.899 1.00 0.00 H new ATOM 970 N GLY C 80 120.913 -0.254 -2.652 1.00 0.00 N ATOM 971 CA GLY C 80 121.822 0.093 -1.558 1.00 0.00 C ATOM 972 C GLY C 80 123.041 0.928 -1.992 1.00 0.00 C ATOM 973 O GLY C 80 123.391 0.941 -3.179 1.00 0.00 O ATOM 0 HA2 GLY C 80 121.267 0.647 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY C 80 122.173 -0.825 -1.087 1.00 0.00 H new ATOM 977 N PRO C 81 123.707 1.624 -1.050 1.00 0.00 N ATOM 978 CA PRO C 81 124.929 2.372 -1.337 1.00 0.00 C ATOM 979 C PRO C 81 126.112 1.502 -1.814 1.00 0.00 C ATOM 980 O PRO C 81 126.169 0.308 -1.495 1.00 0.00 O ATOM 981 CB PRO C 81 125.249 3.188 -0.076 1.00 0.00 C ATOM 982 CG PRO C 81 124.199 2.799 0.966 1.00 0.00 C ATOM 983 CD PRO C 81 123.424 1.624 0.378 1.00 0.00 C ATOM 0 HA PRO C 81 124.762 3.028 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO C 81 126.254 2.969 0.284 1.00 0.00 H new ATOM 0 HB3 PRO C 81 125.212 4.257 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO C 81 124.671 2.520 1.908 1.00 0.00 H new ATOM 0 HG3 PRO C 81 123.534 3.636 1.178 1.00 0.00 H new ATOM 0 HD2 PRO C 81 123.734 0.685 0.836 1.00 0.00 H new ATOM 0 HD3 PRO C 81 122.355 1.731 0.563 1.00 0.00 H new ATOM 1006 N GLY C 83 129.681 -0.317 -1.722 1.00 0.00 N ATOM 1007 CA GLY C 83 130.406 -0.953 -0.624 1.00 0.00 C ATOM 1008 C GLY C 83 131.586 -0.105 -0.124 1.00 0.00 C ATOM 1009 O GLY C 83 132.060 0.780 -0.848 1.00 0.00 O ATOM 0 HA2 GLY C 83 129.719 -1.136 0.202 1.00 0.00 H new ATOM 0 HA3 GLY C 83 130.775 -1.925 -0.952 1.00 0.00 H new ATOM 1013 N PRO C 84 132.088 -0.356 1.099 1.00 0.00 N ATOM 1014 CA PRO C 84 133.206 0.406 1.640 1.00 0.00 C ATOM 1015 C PRO C 84 134.514 0.291 0.831 1.00 0.00 C ATOM 1016 O PRO C 84 134.800 -0.780 0.278 1.00 0.00 O ATOM 1017 CB PRO C 84 133.349 0.004 3.113 1.00 0.00 C ATOM 1018 CG PRO C 84 132.244 -1.020 3.379 1.00 0.00 C ATOM 1019 CD PRO C 84 131.675 -1.407 2.017 1.00 0.00 C ATOM 0 HA PRO C 84 132.990 1.471 1.560 1.00 0.00 H new ATOM 0 HB2 PRO C 84 134.333 -0.424 3.307 1.00 0.00 H new ATOM 0 HB3 PRO C 84 133.244 0.870 3.766 1.00 0.00 H new ATOM 0 HG2 PRO C 84 132.641 -1.894 3.896 1.00 0.00 H new ATOM 0 HG3 PRO C 84 131.468 -0.597 4.017 1.00 0.00 H new ATOM 0 HD2 PRO C 84 132.055 -2.377 1.696 1.00 0.00 H new ATOM 0 HD3 PRO C 84 130.589 -1.487 2.056 1.00 0.00 H new ATOM 1042 N GLY C 86 138.327 -0.534 0.123 1.00 0.00 N ATOM 1043 CA GLY C 86 139.193 -1.592 0.651 1.00 0.00 C ATOM 1044 C GLY C 86 140.233 -1.078 1.665 1.00 0.00 C ATOM 1045 O GLY C 86 140.494 0.131 1.723 1.00 0.00 O ATOM 0 HA2 GLY C 86 138.576 -2.353 1.128 1.00 0.00 H new ATOM 0 HA3 GLY C 86 139.711 -2.075 -0.177 1.00 0.00 H new ATOM 1049 N PRO C 87 140.847 -1.969 2.468 1.00 0.00 N ATOM 1050 CA PRO C 87 141.848 -1.565 3.450 1.00 0.00 C ATOM 1051 C PRO C 87 143.095 -0.909 2.813 1.00 0.00 C ATOM 1052 O PRO C 87 143.555 -1.380 1.765 1.00 0.00 O ATOM 1053 CB PRO C 87 142.191 -2.813 4.274 1.00 0.00 C ATOM 1054 CG PRO C 87 141.405 -3.974 3.659 1.00 0.00 C ATOM 1055 CD PRO C 87 140.645 -3.410 2.459 1.00 0.00 C ATOM 0 HA PRO C 87 141.444 -0.783 4.093 1.00 0.00 H new ATOM 0 HB2 PRO C 87 143.262 -3.013 4.246 1.00 0.00 H new ATOM 0 HB3 PRO C 87 141.920 -2.673 5.320 1.00 0.00 H new ATOM 0 HG2 PRO C 87 142.077 -4.774 3.349 1.00 0.00 H new ATOM 0 HG3 PRO C 87 140.715 -4.402 4.387 1.00 0.00 H new ATOM 0 HD2 PRO C 87 141.013 -3.845 1.530 1.00 0.00 H new ATOM 0 HD3 PRO C 87 139.584 -3.651 2.526 1.00 0.00 H new ATOM 1078 N GLY C 89 147.025 -0.226 2.056 1.00 0.00 N ATOM 1079 CA GLY C 89 148.184 -1.116 1.971 1.00 0.00 C ATOM 1080 C GLY C 89 149.093 -1.064 3.211 1.00 0.00 C ATOM 1081 O GLY C 89 149.074 -0.075 3.955 1.00 0.00 O ATOM 0 HA2 GLY C 89 147.836 -2.139 1.829 1.00 0.00 H new ATOM 0 HA3 GLY C 89 148.770 -0.853 1.090 1.00 0.00 H new ATOM 1085 N PRO C 90 149.909 -2.108 3.444 1.00 0.00 N ATOM 1086 CA PRO C 90 150.833 -2.160 4.577 1.00 0.00 C ATOM 1087 C PRO C 90 152.009 -1.173 4.405 1.00 0.00 C ATOM 1088 O PRO C 90 152.275 -0.721 3.285 1.00 0.00 O ATOM 1089 CB PRO C 90 151.305 -3.619 4.633 1.00 0.00 C ATOM 1090 CG PRO C 90 151.226 -4.071 3.178 1.00 0.00 C ATOM 1091 CD PRO C 90 150.003 -3.326 2.648 1.00 0.00 C ATOM 0 HA PRO C 90 150.354 -1.857 5.508 1.00 0.00 H new ATOM 0 HB2 PRO C 90 152.319 -3.699 5.024 1.00 0.00 H new ATOM 0 HB3 PRO C 90 150.667 -4.224 5.277 1.00 0.00 H new ATOM 0 HG2 PRO C 90 152.128 -3.809 2.625 1.00 0.00 H new ATOM 0 HG3 PRO C 90 151.106 -5.151 3.098 1.00 0.00 H new ATOM 0 HD2 PRO C 90 150.114 -3.094 1.589 1.00 0.00 H new ATOM 0 HD3 PRO C 90 149.102 -3.931 2.749 1.00 0.00 H new