USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=6 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+ 176:sc= 1.23 (180deg=1.13) USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.13) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.16) USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= 1.15 (180deg=1.09) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.13) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 85.288 5.824 3.121 1.00 0.00 N ATOM 65 CA LYS A 6 86.721 5.747 2.778 1.00 0.00 C ATOM 66 C LYS A 6 87.396 4.483 3.346 1.00 0.00 C ATOM 67 O LYS A 6 87.096 4.061 4.466 1.00 0.00 O ATOM 68 CB LYS A 6 87.420 7.039 3.242 1.00 0.00 C ATOM 69 CG LYS A 6 88.831 7.201 2.655 1.00 0.00 C ATOM 70 CD LYS A 6 89.495 8.509 3.104 1.00 0.00 C ATOM 71 CE LYS A 6 90.959 8.504 2.649 1.00 0.00 C ATOM 72 NZ LYS A 6 91.655 9.771 2.990 1.00 0.00 N ATOM 0 HA LYS A 6 86.816 5.662 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.812 7.897 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 87.482 7.041 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 6 89.450 6.357 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.775 7.178 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 6 88.970 9.364 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 6 89.437 8.608 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 6 91.480 7.668 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 6 91.003 8.346 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 92.658 9.698 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 91.216 10.558 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 91.578 9.945 4.013 1.00 0.00 H new ATOM 86 N GLY A 7 88.352 3.912 2.606 1.00 0.00 N ATOM 87 CA GLY A 7 89.189 2.780 3.050 1.00 0.00 C ATOM 88 C GLY A 7 90.453 3.175 3.850 1.00 0.00 C ATOM 89 O GLY A 7 90.825 4.353 3.880 1.00 0.00 O ATOM 0 H GLY A 7 88.574 4.226 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 88.580 2.117 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 7 89.496 2.209 2.174 1.00 0.00 H new ATOM 93 N PRO A 8 91.131 2.211 4.508 1.00 0.00 N ATOM 94 CA PRO A 8 92.326 2.458 5.330 1.00 0.00 C ATOM 95 C PRO A 8 93.617 2.676 4.516 1.00 0.00 C ATOM 96 O PRO A 8 93.735 2.241 3.367 1.00 0.00 O ATOM 97 CB PRO A 8 92.446 1.217 6.224 1.00 0.00 C ATOM 98 CG PRO A 8 91.847 0.106 5.364 1.00 0.00 C ATOM 99 CD PRO A 8 90.706 0.823 4.645 1.00 0.00 C ATOM 0 HA PRO A 8 92.211 3.386 5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 8 93.483 1.008 6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 8 91.900 1.341 7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 8 92.575 -0.302 4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 8 91.486 -0.726 5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 8 90.516 0.375 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 8 89.779 0.752 5.215 1.00 0.00 H new ATOM 107 N LYS A 9 94.614 3.318 5.141 1.00 0.00 N ATOM 108 CA LYS A 9 95.971 3.537 4.597 1.00 0.00 C ATOM 109 C LYS A 9 96.700 2.213 4.288 1.00 0.00 C ATOM 110 O LYS A 9 96.584 1.242 5.042 1.00 0.00 O ATOM 111 CB LYS A 9 96.756 4.404 5.607 1.00 0.00 C ATOM 112 CG LYS A 9 98.170 4.780 5.135 1.00 0.00 C ATOM 113 CD LYS A 9 98.888 5.680 6.153 1.00 0.00 C ATOM 114 CE LYS A 9 100.349 5.877 5.725 1.00 0.00 C ATOM 115 NZ LYS A 9 101.132 6.649 6.726 1.00 0.00 N ATOM 0 H LYS A 9 94.498 3.715 6.073 1.00 0.00 H new ATOM 0 HA LYS A 9 95.898 4.055 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 9 96.193 5.317 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 9 96.830 3.867 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 9 98.754 3.873 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 9 98.109 5.293 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 9 98.385 6.645 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 9 98.846 5.230 7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 9 100.816 4.903 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 9 100.378 6.395 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 102.145 6.449 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 100.961 7.666 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 100.838 6.373 7.685 1.00 0.00 H new ATOM 129 N GLY A 10 97.477 2.185 3.200 1.00 0.00 N ATOM 130 CA GLY A 10 98.264 1.019 2.763 1.00 0.00 C ATOM 131 C GLY A 10 99.573 0.780 3.549 1.00 0.00 C ATOM 132 O GLY A 10 100.022 1.659 4.292 1.00 0.00 O ATOM 0 H GLY A 10 97.581 2.990 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 10 97.641 0.128 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 10 98.509 1.140 1.708 1.00 0.00 H new ATOM 136 N PRO A 11 100.206 -0.402 3.396 1.00 0.00 N ATOM 137 CA PRO A 11 101.424 -0.785 4.124 1.00 0.00 C ATOM 138 C PRO A 11 102.704 -0.123 3.582 1.00 0.00 C ATOM 139 O PRO A 11 102.795 0.229 2.403 1.00 0.00 O ATOM 140 CB PRO A 11 101.506 -2.310 3.974 1.00 0.00 C ATOM 141 CG PRO A 11 100.852 -2.556 2.616 1.00 0.00 C ATOM 142 CD PRO A 11 99.727 -1.524 2.597 1.00 0.00 C ATOM 0 HA PRO A 11 101.362 -0.453 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 11 102.537 -2.663 3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 11 100.976 -2.824 4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 11 101.553 -2.406 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 11 100.471 -3.573 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 11 99.501 -1.210 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 11 98.809 -1.938 3.014 1.00 0.00 H new ATOM 150 N LYS A 12 103.731 -0.010 4.438 1.00 0.00 N ATOM 151 CA LYS A 12 105.082 0.455 4.069 1.00 0.00 C ATOM 152 C LYS A 12 105.705 -0.420 2.963 1.00 0.00 C ATOM 153 O LYS A 12 105.527 -1.642 2.956 1.00 0.00 O ATOM 154 CB LYS A 12 105.966 0.479 5.334 1.00 0.00 C ATOM 155 CG LYS A 12 107.303 1.207 5.102 1.00 0.00 C ATOM 156 CD LYS A 12 108.293 1.107 6.270 1.00 0.00 C ATOM 157 CE LYS A 12 108.859 -0.316 6.398 1.00 0.00 C ATOM 158 NZ LYS A 12 109.933 -0.390 7.426 1.00 0.00 N ATOM 0 H LYS A 12 103.646 -0.244 5.427 1.00 0.00 H new ATOM 0 HA LYS A 12 105.011 1.463 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.424 0.969 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 12 106.163 -0.544 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 12 107.774 0.799 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 12 107.100 2.259 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 12 109.109 1.814 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 12 107.795 1.388 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 12 108.056 -1.005 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 12 109.254 -0.639 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 110.067 -1.379 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 110.821 -0.023 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 109.663 0.181 8.252 1.00 0.00 H new ATOM 172 N GLY A 13 106.463 0.196 2.053 1.00 0.00 N ATOM 173 CA GLY A 13 107.203 -0.499 0.989 1.00 0.00 C ATOM 174 C GLY A 13 108.410 -1.333 1.470 1.00 0.00 C ATOM 175 O GLY A 13 108.836 -1.207 2.625 1.00 0.00 O ATOM 0 H GLY A 13 106.584 1.209 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.514 -1.157 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.555 0.240 0.270 1.00 0.00 H new ATOM 179 N PRO A 14 108.984 -2.186 0.597 1.00 0.00 N ATOM 180 CA PRO A 14 110.108 -3.069 0.929 1.00 0.00 C ATOM 181 C PRO A 14 111.463 -2.339 0.980 1.00 0.00 C ATOM 182 O PRO A 14 111.703 -1.371 0.251 1.00 0.00 O ATOM 183 CB PRO A 14 110.106 -4.136 -0.172 1.00 0.00 C ATOM 184 CG PRO A 14 109.556 -3.384 -1.382 1.00 0.00 C ATOM 185 CD PRO A 14 108.513 -2.458 -0.756 1.00 0.00 C ATOM 0 HA PRO A 14 109.984 -3.486 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 14 111.107 -4.524 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 14 109.479 -4.987 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 14 110.335 -2.825 -1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 14 109.111 -4.061 -2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 14 108.415 -1.536 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 14 107.530 -2.930 -0.741 1.00 0.00 H new ATOM 193 N LYS A 15 112.384 -2.843 1.813 1.00 0.00 N ATOM 194 CA LYS A 15 113.779 -2.369 1.914 1.00 0.00 C ATOM 195 C LYS A 15 114.514 -2.468 0.563 1.00 0.00 C ATOM 196 O LYS A 15 114.335 -3.439 -0.178 1.00 0.00 O ATOM 197 CB LYS A 15 114.488 -3.185 3.017 1.00 0.00 C ATOM 198 CG LYS A 15 115.930 -2.728 3.300 1.00 0.00 C ATOM 199 CD LYS A 15 116.532 -3.548 4.452 1.00 0.00 C ATOM 200 CE LYS A 15 118.049 -3.360 4.595 1.00 0.00 C ATOM 201 NZ LYS A 15 118.437 -2.024 5.123 1.00 0.00 N ATOM 0 H LYS A 15 112.179 -3.611 2.453 1.00 0.00 H new ATOM 0 HA LYS A 15 113.789 -1.312 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 15 113.908 -3.115 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 15 114.500 -4.236 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 15 116.539 -2.846 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 15 115.940 -1.668 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 15 116.047 -3.263 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 15 116.316 -4.604 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 15 118.441 -4.131 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 15 118.518 -3.507 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 119.455 -2.018 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 118.229 -1.295 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 117.899 -1.824 5.990 1.00 0.00 H new ATOM 215 N GLY A 16 115.345 -1.470 0.251 1.00 0.00 N ATOM 216 CA GLY A 16 116.107 -1.393 -1.004 1.00 0.00 C ATOM 217 C GLY A 16 117.250 -2.422 -1.140 1.00 0.00 C ATOM 218 O GLY A 16 117.635 -3.059 -0.153 1.00 0.00 O ATOM 0 H GLY A 16 115.512 -0.678 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 16 115.418 -1.526 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 16 116.528 -0.392 -1.095 1.00 0.00 H new ATOM 222 N PRO A 17 117.814 -2.594 -2.353 1.00 0.00 N ATOM 223 CA PRO A 17 118.901 -3.542 -2.625 1.00 0.00 C ATOM 224 C PRO A 17 120.273 -3.038 -2.137 1.00 0.00 C ATOM 225 O PRO A 17 120.517 -1.832 -2.054 1.00 0.00 O ATOM 226 CB PRO A 17 118.882 -3.727 -4.146 1.00 0.00 C ATOM 227 CG PRO A 17 118.384 -2.376 -4.661 1.00 0.00 C ATOM 228 CD PRO A 17 117.390 -1.939 -3.585 1.00 0.00 C ATOM 0 HA PRO A 17 118.750 -4.478 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 17 119.872 -3.965 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 17 118.219 -4.540 -4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 17 119.199 -1.661 -4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 17 117.907 -2.468 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 17 117.391 -0.855 -3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 17 116.374 -2.230 -3.852 1.00 0.00 H new ATOM 236 N LYS A 18 121.194 -3.963 -1.838 1.00 0.00 N ATOM 237 CA LYS A 18 122.564 -3.668 -1.368 1.00 0.00 C ATOM 238 C LYS A 18 123.372 -2.826 -2.381 1.00 0.00 C ATOM 239 O LYS A 18 123.229 -3.000 -3.595 1.00 0.00 O ATOM 240 CB LYS A 18 123.269 -5.003 -1.058 1.00 0.00 C ATOM 241 CG LYS A 18 124.572 -4.810 -0.264 1.00 0.00 C ATOM 242 CD LYS A 18 125.418 -6.083 -0.111 1.00 0.00 C ATOM 243 CE LYS A 18 126.008 -6.530 -1.459 1.00 0.00 C ATOM 244 NZ LYS A 18 126.973 -7.651 -1.300 1.00 0.00 N ATOM 0 H LYS A 18 121.008 -4.963 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 18 122.502 -3.060 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 18 122.594 -5.644 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 18 123.490 -5.519 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 18 125.173 -4.046 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 18 124.326 -4.431 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 18 126.225 -5.902 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 18 124.803 -6.883 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 125.201 -6.838 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 18 126.508 -5.686 -1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 127.088 -8.142 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 127.892 -7.276 -0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 126.614 -8.320 -0.589 1.00 0.00 H new ATOM 258 N GLY A 19 124.244 -1.944 -1.884 1.00 0.00 N ATOM 259 CA GLY A 19 125.161 -1.128 -2.701 1.00 0.00 C ATOM 260 C GLY A 19 126.387 -1.877 -3.275 1.00 0.00 C ATOM 261 O GLY A 19 126.636 -3.032 -2.913 1.00 0.00 O ATOM 0 H GLY A 19 124.338 -1.770 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 19 124.598 -0.700 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 19 125.517 -0.295 -2.094 1.00 0.00 H new ATOM 265 N PRO A 20 127.167 -1.234 -4.171 1.00 0.00 N ATOM 266 CA PRO A 20 128.338 -1.828 -4.837 1.00 0.00 C ATOM 267 C PRO A 20 129.621 -1.810 -3.982 1.00 0.00 C ATOM 268 O PRO A 20 129.815 -0.932 -3.138 1.00 0.00 O ATOM 269 CB PRO A 20 128.529 -0.978 -6.100 1.00 0.00 C ATOM 270 CG PRO A 20 128.053 0.406 -5.662 1.00 0.00 C ATOM 271 CD PRO A 20 126.881 0.079 -4.738 1.00 0.00 C ATOM 0 HA PRO A 20 128.162 -2.885 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 20 129.570 -0.963 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 20 127.943 -1.360 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 20 128.836 0.958 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 20 127.742 1.015 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 20 126.782 0.829 -3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 20 125.941 0.069 -5.290 1.00 0.00 H new ATOM 279 N LYS A 21 130.535 -2.759 -4.236 1.00 0.00 N ATOM 280 CA LYS A 21 131.854 -2.881 -3.575 1.00 0.00 C ATOM 281 C LYS A 21 132.722 -1.615 -3.738 1.00 0.00 C ATOM 282 O LYS A 21 132.702 -0.971 -4.790 1.00 0.00 O ATOM 283 CB LYS A 21 132.559 -4.133 -4.142 1.00 0.00 C ATOM 284 CG LYS A 21 133.917 -4.451 -3.488 1.00 0.00 C ATOM 285 CD LYS A 21 134.547 -5.707 -4.110 1.00 0.00 C ATOM 286 CE LYS A 21 136.028 -5.878 -3.735 1.00 0.00 C ATOM 287 NZ LYS A 21 136.245 -6.264 -2.314 1.00 0.00 N ATOM 0 H LYS A 21 130.376 -3.490 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 21 131.705 -2.989 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 21 131.900 -4.993 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 21 132.709 -3.997 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 21 134.591 -3.603 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 21 133.783 -4.600 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 21 133.991 -6.586 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 21 134.455 -5.655 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 21 136.472 -6.636 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 21 136.554 -4.944 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 137.264 -6.361 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 135.851 -5.530 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 135.771 -7.170 -2.124 1.00 0.00 H new ATOM 301 N GLY A 22 133.509 -1.281 -2.709 1.00 0.00 N ATOM 302 CA GLY A 22 134.423 -0.126 -2.709 1.00 0.00 C ATOM 303 C GLY A 22 135.716 -0.321 -3.533 1.00 0.00 C ATOM 304 O GLY A 22 136.098 -1.460 -3.821 1.00 0.00 O ATOM 0 H GLY A 22 133.531 -1.812 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 22 133.889 0.742 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 22 134.697 0.103 -1.679 1.00 0.00 H new ATOM 308 N PRO A 23 136.417 0.771 -3.903 1.00 0.00 N ATOM 309 CA PRO A 23 137.669 0.718 -4.668 1.00 0.00 C ATOM 310 C PRO A 23 138.874 0.272 -3.818 1.00 0.00 C ATOM 311 O PRO A 23 138.893 0.433 -2.593 1.00 0.00 O ATOM 312 CB PRO A 23 137.866 2.143 -5.201 1.00 0.00 C ATOM 313 CG PRO A 23 137.211 3.008 -4.127 1.00 0.00 C ATOM 314 CD PRO A 23 136.022 2.157 -3.682 1.00 0.00 C ATOM 0 HA PRO A 23 137.606 -0.024 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 23 138.922 2.385 -5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 23 137.392 2.279 -6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 23 137.893 3.213 -3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 23 136.892 3.972 -4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 23 135.787 2.333 -2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 23 135.128 2.405 -4.255 1.00 0.00 H new ATOM 322 N LYS A 24 139.915 -0.255 -4.476 1.00 0.00 N ATOM 323 CA LYS A 24 141.196 -0.633 -3.847 1.00 0.00 C ATOM 324 C LYS A 24 141.904 0.588 -3.226 1.00 0.00 C ATOM 325 O LYS A 24 141.837 1.694 -3.771 1.00 0.00 O ATOM 326 CB LYS A 24 142.084 -1.312 -4.910 1.00 0.00 C ATOM 327 CG LYS A 24 143.281 -2.049 -4.284 1.00 0.00 C ATOM 328 CD LYS A 24 144.325 -2.529 -5.304 1.00 0.00 C ATOM 329 CE LYS A 24 145.132 -1.353 -5.879 1.00 0.00 C ATOM 330 NZ LYS A 24 146.178 -1.814 -6.831 1.00 0.00 N ATOM 0 H LYS A 24 139.894 -0.436 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 24 141.005 -1.329 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 24 141.485 -2.019 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 24 142.448 -0.560 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 24 143.767 -1.387 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 24 142.912 -2.909 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 24 145.002 -3.238 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 24 143.826 -3.060 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 24 144.458 -0.663 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 24 145.600 -0.800 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 146.632 -0.990 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 146.893 -2.370 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 145.741 -2.405 -7.567 1.00 0.00 H new ATOM 344 N GLY A 25 142.617 0.385 -2.115 1.00 0.00 N ATOM 345 CA GLY A 25 143.458 1.419 -1.491 1.00 0.00 C ATOM 346 C GLY A 25 144.748 1.759 -2.268 1.00 0.00 C ATOM 347 O GLY A 25 145.151 1.003 -3.160 1.00 0.00 O ATOM 0 H GLY A 25 142.629 -0.505 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 25 142.868 2.328 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 25 143.730 1.090 -0.488 1.00 0.00 H new ATOM 351 N PRO A 26 145.416 2.885 -1.941 1.00 0.00 N ATOM 352 CA PRO A 26 146.647 3.329 -2.604 1.00 0.00 C ATOM 353 C PRO A 26 147.883 2.520 -2.176 1.00 0.00 C ATOM 354 O PRO A 26 147.919 1.921 -1.098 1.00 0.00 O ATOM 355 CB PRO A 26 146.794 4.805 -2.214 1.00 0.00 C ATOM 356 CG PRO A 26 146.158 4.856 -0.827 1.00 0.00 C ATOM 357 CD PRO A 26 144.997 3.870 -0.951 1.00 0.00 C ATOM 0 HA PRO A 26 146.581 3.183 -3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 26 147.839 5.115 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 26 146.282 5.462 -2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 26 146.860 4.558 -0.049 1.00 0.00 H new ATOM 0 HG3 PRO A 26 145.812 5.859 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 26 144.783 3.395 0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 26 144.085 4.377 -1.266 1.00 0.00 H new ATOM 365 N LYS A 27 148.933 2.536 -3.008 1.00 0.00 N ATOM 366 CA LYS A 27 150.229 1.890 -2.725 1.00 0.00 C ATOM 367 C LYS A 27 150.852 2.403 -1.409 1.00 0.00 C ATOM 368 O LYS A 27 150.775 3.597 -1.102 1.00 0.00 O ATOM 369 CB LYS A 27 151.160 2.118 -3.931 1.00 0.00 C ATOM 370 CG LYS A 27 152.441 1.277 -3.832 1.00 0.00 C ATOM 371 CD LYS A 27 153.486 1.600 -4.908 1.00 0.00 C ATOM 372 CE LYS A 27 154.129 2.970 -4.640 1.00 0.00 C ATOM 373 NZ LYS A 27 155.219 3.268 -5.608 1.00 0.00 N ATOM 0 H LYS A 27 148.909 3.005 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 27 150.078 0.820 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 27 150.631 1.867 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 27 151.423 3.174 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 27 152.888 1.429 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 27 152.177 0.222 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 154.255 0.827 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 27 153.016 1.598 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 27 153.367 3.747 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 27 154.528 2.992 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 155.628 4.200 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 155.958 2.540 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.834 3.272 -6.574 1.00 0.00 H new ATOM 387 N GLY A 28 151.475 1.506 -0.640 1.00 0.00 N ATOM 388 CA GLY A 28 152.113 1.817 0.648 1.00 0.00 C ATOM 389 C GLY A 28 153.358 2.730 0.566 1.00 0.00 C ATOM 390 O GLY A 28 153.949 2.879 -0.509 1.00 0.00 O ATOM 0 H GLY A 28 151.553 0.522 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 28 151.376 2.293 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 28 152.400 0.881 1.128 1.00 0.00 H new ATOM 394 N PRO A 29 153.780 3.331 1.698 1.00 0.00 N ATOM 395 CA PRO A 29 154.967 4.194 1.785 1.00 0.00 C ATOM 396 C PRO A 29 156.285 3.396 1.795 1.00 0.00 C ATOM 397 O PRO A 29 156.302 2.204 2.099 1.00 0.00 O ATOM 398 CB PRO A 29 154.778 4.970 3.097 1.00 0.00 C ATOM 399 CG PRO A 29 154.017 3.984 3.981 1.00 0.00 C ATOM 400 CD PRO A 29 153.100 3.274 2.988 1.00 0.00 C ATOM 0 HA PRO A 29 155.048 4.845 0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 29 155.734 5.252 3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 29 154.214 5.890 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 29 154.690 3.286 4.480 1.00 0.00 H new ATOM 0 HG3 PRO A 29 153.451 4.494 4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 29 152.923 2.242 3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 29 152.127 3.763 2.938 1.00 0.00 H new ATOM 508 N GLY B 39 91.489 4.194 0.091 1.00 0.00 N ATOM 509 CA GLY B 39 92.411 4.692 1.122 1.00 0.00 C ATOM 510 C GLY B 39 93.735 5.254 0.575 1.00 0.00 C ATOM 511 O GLY B 39 94.052 5.120 -0.610 1.00 0.00 O ATOM 0 HA2 GLY B 39 91.909 5.472 1.695 1.00 0.00 H new ATOM 0 HA3 GLY B 39 92.634 3.881 1.815 1.00 0.00 H new ATOM 515 N ASP B 40 94.520 5.899 1.445 1.00 0.00 N ATOM 516 CA ASP B 40 95.790 6.553 1.095 1.00 0.00 C ATOM 517 C ASP B 40 96.970 5.566 0.907 1.00 0.00 C ATOM 518 O ASP B 40 97.005 4.516 1.557 1.00 0.00 O ATOM 519 CB ASP B 40 96.137 7.566 2.196 1.00 0.00 C ATOM 520 CG ASP B 40 95.349 8.873 2.028 1.00 0.00 C ATOM 521 OD1 ASP B 40 95.746 9.710 1.183 1.00 0.00 O ATOM 522 OD2 ASP B 40 94.330 9.069 2.733 1.00 0.00 O ATOM 0 H ASP B 40 94.287 5.984 2.434 1.00 0.00 H new ATOM 0 HA ASP B 40 95.647 7.041 0.131 1.00 0.00 H new ATOM 0 HB2 ASP B 40 95.920 7.132 3.172 1.00 0.00 H new ATOM 0 HB3 ASP B 40 97.206 7.779 2.172 1.00 0.00 H new ATOM 542 N GLY B 42 100.770 3.809 1.238 1.00 0.00 N ATOM 543 CA GLY B 42 101.763 3.573 2.291 1.00 0.00 C ATOM 544 C GLY B 42 103.075 4.356 2.118 1.00 0.00 C ATOM 545 O GLY B 42 103.353 4.927 1.060 1.00 0.00 O ATOM 0 HA2 GLY B 42 101.323 3.835 3.253 1.00 0.00 H new ATOM 0 HA3 GLY B 42 101.992 2.508 2.325 1.00 0.00 H new ATOM 549 N ASP B 43 103.896 4.378 3.172 1.00 0.00 N ATOM 550 CA ASP B 43 105.187 5.081 3.203 1.00 0.00 C ATOM 551 C ASP B 43 106.312 4.323 2.451 1.00 0.00 C ATOM 552 O ASP B 43 106.267 3.091 2.358 1.00 0.00 O ATOM 553 CB ASP B 43 105.574 5.316 4.672 1.00 0.00 C ATOM 554 CG ASP B 43 104.832 6.525 5.263 1.00 0.00 C ATOM 555 OD1 ASP B 43 105.287 7.673 5.044 1.00 0.00 O ATOM 556 OD2 ASP B 43 103.795 6.334 5.945 1.00 0.00 O ATOM 0 H ASP B 43 103.680 3.899 4.046 1.00 0.00 H new ATOM 0 HA ASP B 43 105.072 6.030 2.679 1.00 0.00 H new ATOM 0 HB2 ASP B 43 105.344 4.425 5.257 1.00 0.00 H new ATOM 0 HB3 ASP B 43 106.650 5.477 4.745 1.00 0.00 H new ATOM 576 N GLY B 45 109.809 2.337 1.482 1.00 0.00 N ATOM 577 CA GLY B 45 110.753 1.406 2.107 1.00 0.00 C ATOM 578 C GLY B 45 112.067 2.044 2.568 1.00 0.00 C ATOM 579 O GLY B 45 112.469 3.114 2.105 1.00 0.00 O ATOM 0 HA2 GLY B 45 110.269 0.941 2.966 1.00 0.00 H new ATOM 0 HA3 GLY B 45 110.980 0.609 1.399 1.00 0.00 H new ATOM 583 N ASP B 46 112.749 1.362 3.488 1.00 0.00 N ATOM 584 CA ASP B 46 114.043 1.773 4.031 1.00 0.00 C ATOM 585 C ASP B 46 115.189 1.600 3.005 1.00 0.00 C ATOM 586 O ASP B 46 115.125 0.695 2.166 1.00 0.00 O ATOM 587 CB ASP B 46 114.314 0.936 5.287 1.00 0.00 C ATOM 588 CG ASP B 46 113.429 1.370 6.467 1.00 0.00 C ATOM 589 OD1 ASP B 46 113.819 2.312 7.198 1.00 0.00 O ATOM 590 OD2 ASP B 46 112.345 0.767 6.667 1.00 0.00 O ATOM 0 H ASP B 46 112.408 0.487 3.886 1.00 0.00 H new ATOM 0 HA ASP B 46 114.007 2.835 4.274 1.00 0.00 H new ATOM 0 HB2 ASP B 46 114.136 -0.117 5.067 1.00 0.00 H new ATOM 0 HB3 ASP B 46 115.363 1.030 5.566 1.00 0.00 H new ATOM 610 N GLY B 48 118.693 0.428 1.167 1.00 0.00 N ATOM 611 CA GLY B 48 119.541 -0.767 1.138 1.00 0.00 C ATOM 612 C GLY B 48 120.801 -0.644 2.006 1.00 0.00 C ATOM 613 O GLY B 48 121.225 0.453 2.378 1.00 0.00 O ATOM 0 HA2 GLY B 48 118.959 -1.624 1.476 1.00 0.00 H new ATOM 0 HA3 GLY B 48 119.837 -0.968 0.108 1.00 0.00 H new ATOM 617 N ASP B 49 121.410 -1.786 2.329 1.00 0.00 N ATOM 618 CA ASP B 49 122.633 -1.855 3.128 1.00 0.00 C ATOM 619 C ASP B 49 123.885 -1.509 2.289 1.00 0.00 C ATOM 620 O ASP B 49 123.874 -1.679 1.063 1.00 0.00 O ATOM 621 CB ASP B 49 122.717 -3.270 3.715 1.00 0.00 C ATOM 622 CG ASP B 49 121.644 -3.549 4.784 1.00 0.00 C ATOM 623 OD1 ASP B 49 121.162 -2.603 5.456 1.00 0.00 O ATOM 624 OD2 ASP B 49 121.261 -4.730 4.953 1.00 0.00 O ATOM 0 H ASP B 49 121.063 -2.700 2.039 1.00 0.00 H new ATOM 0 HA ASP B 49 122.601 -1.116 3.929 1.00 0.00 H new ATOM 0 HB2 ASP B 49 122.615 -3.997 2.909 1.00 0.00 H new ATOM 0 HB3 ASP B 49 123.704 -3.416 4.154 1.00 0.00 H new ATOM 644 N GLY B 51 127.562 -1.455 0.349 1.00 0.00 N ATOM 645 CA GLY B 51 128.441 -2.406 -0.331 1.00 0.00 C ATOM 646 C GLY B 51 129.621 -2.898 0.508 1.00 0.00 C ATOM 647 O GLY B 51 129.957 -2.343 1.557 1.00 0.00 O ATOM 0 HA2 GLY B 51 127.850 -3.267 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY B 51 128.827 -1.939 -1.237 1.00 0.00 H new ATOM 651 N ASP B 52 130.256 -3.970 0.037 1.00 0.00 N ATOM 652 CA ASP B 52 131.406 -4.590 0.687 1.00 0.00 C ATOM 653 C ASP B 52 132.677 -3.709 0.595 1.00 0.00 C ATOM 654 O ASP B 52 132.869 -3.016 -0.411 1.00 0.00 O ATOM 655 CB ASP B 52 131.631 -5.961 0.039 1.00 0.00 C ATOM 656 CG ASP B 52 130.527 -6.957 0.436 1.00 0.00 C ATOM 657 OD1 ASP B 52 130.687 -7.653 1.468 1.00 0.00 O ATOM 658 OD2 ASP B 52 129.495 -7.042 -0.276 1.00 0.00 O ATOM 0 H ASP B 52 129.979 -4.440 -0.825 1.00 0.00 H new ATOM 0 HA ASP B 52 131.200 -4.704 1.751 1.00 0.00 H new ATOM 0 HB2 ASP B 52 131.653 -5.853 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP B 52 132.602 -6.353 0.341 1.00 0.00 H new ATOM 678 N GLY B 54 136.491 -2.281 -0.083 1.00 0.00 N ATOM 679 CA GLY B 54 137.592 -2.471 -1.027 1.00 0.00 C ATOM 680 C GLY B 54 138.829 -3.096 -0.372 1.00 0.00 C ATOM 681 O GLY B 54 139.005 -3.062 0.848 1.00 0.00 O ATOM 0 HA2 GLY B 54 137.258 -3.108 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY B 54 137.863 -1.509 -1.462 1.00 0.00 H new ATOM 685 N ASP B 55 139.682 -3.703 -1.193 1.00 0.00 N ATOM 686 CA ASP B 55 140.864 -4.451 -0.759 1.00 0.00 C ATOM 687 C ASP B 55 142.081 -3.538 -0.463 1.00 0.00 C ATOM 688 O ASP B 55 142.181 -2.438 -1.022 1.00 0.00 O ATOM 689 CB ASP B 55 141.179 -5.498 -1.831 1.00 0.00 C ATOM 690 CG ASP B 55 140.194 -6.673 -1.758 1.00 0.00 C ATOM 691 OD1 ASP B 55 139.035 -6.550 -2.221 1.00 0.00 O ATOM 692 OD2 ASP B 55 140.561 -7.739 -1.215 1.00 0.00 O ATOM 0 H ASP B 55 139.569 -3.689 -2.207 1.00 0.00 H new ATOM 0 HA ASP B 55 140.647 -4.941 0.190 1.00 0.00 H new ATOM 0 HB2 ASP B 55 141.130 -5.039 -2.818 1.00 0.00 H new ATOM 0 HB3 ASP B 55 142.197 -5.864 -1.699 1.00 0.00 H new ATOM 712 N GLY B 57 145.779 -1.722 -0.495 1.00 0.00 N ATOM 713 CA GLY B 57 146.786 -1.351 -1.493 1.00 0.00 C ATOM 714 C GLY B 57 148.000 -2.286 -1.549 1.00 0.00 C ATOM 715 O GLY B 57 148.265 -3.069 -0.634 1.00 0.00 O ATOM 0 HA2 GLY B 57 146.315 -1.329 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY B 57 147.132 -0.339 -1.283 1.00 0.00 H new ATOM 719 N ASP B 58 148.758 -2.187 -2.641 1.00 0.00 N ATOM 720 CA ASP B 58 150.003 -2.927 -2.845 1.00 0.00 C ATOM 721 C ASP B 58 151.140 -2.391 -1.940 1.00 0.00 C ATOM 722 O ASP B 58 151.155 -1.194 -1.628 1.00 0.00 O ATOM 723 CB ASP B 58 150.372 -2.817 -4.328 1.00 0.00 C ATOM 724 CG ASP B 58 149.408 -3.625 -5.212 1.00 0.00 C ATOM 725 OD1 ASP B 58 149.615 -4.853 -5.369 1.00 0.00 O ATOM 726 OD2 ASP B 58 148.437 -3.037 -5.751 1.00 0.00 O ATOM 0 H ASP B 58 148.519 -1.578 -3.424 1.00 0.00 H new ATOM 0 HA ASP B 58 149.863 -3.972 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP B 58 150.354 -1.770 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP B 58 151.391 -3.175 -4.478 1.00 0.00 H new ATOM 898 N GLY C 74 103.379 1.267 -0.260 1.00 0.00 N ATOM 899 CA GLY C 74 104.449 2.234 -0.536 1.00 0.00 C ATOM 900 C GLY C 74 105.536 1.693 -1.488 1.00 0.00 C ATOM 901 O GLY C 74 105.653 0.474 -1.663 1.00 0.00 O ATOM 0 HA2 GLY C 74 104.012 3.134 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY C 74 104.914 2.527 0.405 1.00 0.00 H new ATOM 905 N PRO C 75 106.347 2.573 -2.109 1.00 0.00 N ATOM 906 CA PRO C 75 107.377 2.175 -3.072 1.00 0.00 C ATOM 907 C PRO C 75 108.618 1.540 -2.401 1.00 0.00 C ATOM 908 O PRO C 75 108.873 1.799 -1.219 1.00 0.00 O ATOM 909 CB PRO C 75 107.742 3.469 -3.811 1.00 0.00 C ATOM 910 CG PRO C 75 107.488 4.555 -2.767 1.00 0.00 C ATOM 911 CD PRO C 75 106.270 4.025 -2.011 1.00 0.00 C ATOM 0 HA PRO C 75 107.006 1.400 -3.742 1.00 0.00 H new ATOM 0 HB2 PRO C 75 108.781 3.464 -4.141 1.00 0.00 H new ATOM 0 HB3 PRO C 75 107.126 3.613 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO C 75 108.345 4.690 -2.108 1.00 0.00 H new ATOM 0 HG3 PRO C 75 107.287 5.521 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO C 75 106.284 4.349 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO C 75 105.344 4.399 -2.449 1.00 0.00 H new ATOM 934 N GLY C 77 112.514 1.091 -1.187 1.00 0.00 N ATOM 935 CA GLY C 77 113.615 1.971 -0.776 1.00 0.00 C ATOM 936 C GLY C 77 114.755 2.046 -1.813 1.00 0.00 C ATOM 937 O GLY C 77 114.846 1.183 -2.695 1.00 0.00 O ATOM 0 HA2 GLY C 77 113.224 2.974 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY C 77 114.019 1.618 0.173 1.00 0.00 H new ATOM 941 N PRO C 78 115.638 3.060 -1.725 1.00 0.00 N ATOM 942 CA PRO C 78 116.730 3.258 -2.683 1.00 0.00 C ATOM 943 C PRO C 78 117.863 2.221 -2.525 1.00 0.00 C ATOM 944 O PRO C 78 118.023 1.647 -1.440 1.00 0.00 O ATOM 945 CB PRO C 78 117.240 4.680 -2.412 1.00 0.00 C ATOM 946 CG PRO C 78 116.931 4.891 -0.931 1.00 0.00 C ATOM 947 CD PRO C 78 115.614 4.139 -0.748 1.00 0.00 C ATOM 0 HA PRO C 78 116.378 3.127 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO C 78 118.307 4.770 -2.617 1.00 0.00 H new ATOM 0 HB3 PRO C 78 116.732 5.415 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO C 78 117.718 4.489 -0.293 1.00 0.00 H new ATOM 0 HG3 PRO C 78 116.830 5.948 -0.686 1.00 0.00 H new ATOM 0 HD2 PRO C 78 115.524 3.748 0.265 1.00 0.00 H new ATOM 0 HD3 PRO C 78 114.761 4.797 -0.912 1.00 0.00 H new ATOM 970 N GLY C 80 121.544 0.815 -1.642 1.00 0.00 N ATOM 971 CA GLY C 80 122.481 1.134 -0.562 1.00 0.00 C ATOM 972 C GLY C 80 123.724 1.923 -1.020 1.00 0.00 C ATOM 973 O GLY C 80 124.051 1.919 -2.213 1.00 0.00 O ATOM 0 HA2 GLY C 80 121.958 1.712 0.200 1.00 0.00 H new ATOM 0 HA3 GLY C 80 122.806 0.206 -0.091 1.00 0.00 H new ATOM 977 N PRO C 81 124.429 2.606 -0.095 1.00 0.00 N ATOM 978 CA PRO C 81 125.659 3.331 -0.414 1.00 0.00 C ATOM 979 C PRO C 81 126.813 2.424 -0.900 1.00 0.00 C ATOM 980 O PRO C 81 126.865 1.246 -0.528 1.00 0.00 O ATOM 981 CB PRO C 81 126.038 4.125 0.844 1.00 0.00 C ATOM 982 CG PRO C 81 125.022 3.751 1.927 1.00 0.00 C ATOM 983 CD PRO C 81 124.121 2.675 1.327 1.00 0.00 C ATOM 0 HA PRO C 81 125.480 3.993 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO C 81 127.051 3.882 1.164 1.00 0.00 H new ATOM 0 HB3 PRO C 81 126.015 5.197 0.646 1.00 0.00 H new ATOM 0 HG2 PRO C 81 125.526 3.381 2.820 1.00 0.00 H new ATOM 0 HG3 PRO C 81 124.439 4.621 2.228 1.00 0.00 H new ATOM 0 HD2 PRO C 81 124.298 1.712 1.807 1.00 0.00 H new ATOM 0 HD3 PRO C 81 123.071 2.921 1.483 1.00 0.00 H new ATOM 1006 N GLY C 83 130.484 0.643 -0.833 1.00 0.00 N ATOM 1007 CA GLY C 83 131.380 0.175 0.227 1.00 0.00 C ATOM 1008 C GLY C 83 132.572 1.121 0.464 1.00 0.00 C ATOM 1009 O GLY C 83 132.965 1.851 -0.454 1.00 0.00 O ATOM 0 HA2 GLY C 83 130.815 0.071 1.154 1.00 0.00 H new ATOM 0 HA3 GLY C 83 131.754 -0.816 -0.031 1.00 0.00 H new ATOM 1013 N PRO C 84 133.188 1.109 1.663 1.00 0.00 N ATOM 1014 CA PRO C 84 134.380 1.908 1.939 1.00 0.00 C ATOM 1015 C PRO C 84 135.609 1.567 1.069 1.00 0.00 C ATOM 1016 O PRO C 84 135.864 0.383 0.821 1.00 0.00 O ATOM 1017 CB PRO C 84 134.652 1.796 3.444 1.00 0.00 C ATOM 1018 CG PRO C 84 133.595 0.845 4.007 1.00 0.00 C ATOM 1019 CD PRO C 84 132.812 0.301 2.815 1.00 0.00 C ATOM 0 HA PRO C 84 134.186 2.943 1.657 1.00 0.00 H new ATOM 0 HB2 PRO C 84 135.656 1.414 3.629 1.00 0.00 H new ATOM 0 HB3 PRO C 84 134.589 2.773 3.923 1.00 0.00 H new ATOM 0 HG2 PRO C 84 134.063 0.034 4.565 1.00 0.00 H new ATOM 0 HG3 PRO C 84 132.934 1.368 4.698 1.00 0.00 H new ATOM 0 HD2 PRO C 84 133.047 -0.749 2.644 1.00 0.00 H new ATOM 0 HD3 PRO C 84 131.739 0.362 2.997 1.00 0.00 H new ATOM 1042 N GLY C 86 139.464 0.659 0.260 1.00 0.00 N ATOM 1043 CA GLY C 86 140.472 -0.132 0.971 1.00 0.00 C ATOM 1044 C GLY C 86 141.578 0.724 1.617 1.00 0.00 C ATOM 1045 O GLY C 86 141.797 1.869 1.200 1.00 0.00 O ATOM 0 HA2 GLY C 86 139.981 -0.722 1.745 1.00 0.00 H new ATOM 0 HA3 GLY C 86 140.928 -0.836 0.275 1.00 0.00 H new ATOM 1049 N PRO C 87 142.297 0.194 2.625 1.00 0.00 N ATOM 1050 CA PRO C 87 143.368 0.921 3.307 1.00 0.00 C ATOM 1051 C PRO C 87 144.630 1.059 2.430 1.00 0.00 C ATOM 1052 O PRO C 87 144.851 0.230 1.537 1.00 0.00 O ATOM 1053 CB PRO C 87 143.656 0.105 4.574 1.00 0.00 C ATOM 1054 CG PRO C 87 143.289 -1.321 4.169 1.00 0.00 C ATOM 1055 CD PRO C 87 142.103 -1.119 3.227 1.00 0.00 C ATOM 0 HA PRO C 87 143.070 1.944 3.534 1.00 0.00 H new ATOM 0 HB2 PRO C 87 144.702 0.181 4.872 1.00 0.00 H new ATOM 0 HB3 PRO C 87 143.058 0.449 5.418 1.00 0.00 H new ATOM 0 HG2 PRO C 87 144.118 -1.825 3.671 1.00 0.00 H new ATOM 0 HG3 PRO C 87 143.019 -1.929 5.033 1.00 0.00 H new ATOM 0 HD2 PRO C 87 142.071 -1.898 2.465 1.00 0.00 H new ATOM 0 HD3 PRO C 87 141.159 -1.165 3.770 1.00 0.00 H new ATOM 1078 N GLY C 89 148.429 0.407 1.328 1.00 0.00 N ATOM 1079 CA GLY C 89 149.220 -0.825 1.387 1.00 0.00 C ATOM 1080 C GLY C 89 150.256 -0.838 2.524 1.00 0.00 C ATOM 1081 O GLY C 89 150.587 0.222 3.072 1.00 0.00 O ATOM 0 HA2 GLY C 89 148.547 -1.673 1.510 1.00 0.00 H new ATOM 0 HA3 GLY C 89 149.735 -0.962 0.436 1.00 0.00 H new ATOM 1085 N PRO C 90 150.806 -2.015 2.878 1.00 0.00 N ATOM 1086 CA PRO C 90 151.856 -2.107 3.888 1.00 0.00 C ATOM 1087 C PRO C 90 153.151 -1.347 3.521 1.00 0.00 C ATOM 1088 O PRO C 90 153.502 -1.282 2.334 1.00 0.00 O ATOM 1089 CB PRO C 90 152.059 -3.599 4.182 1.00 0.00 C ATOM 1090 CG PRO C 90 151.100 -4.346 3.252 1.00 0.00 C ATOM 1091 CD PRO C 90 150.561 -3.313 2.266 1.00 0.00 C ATOM 0 HA PRO C 90 151.547 -1.592 4.797 1.00 0.00 H new ATOM 0 HB2 PRO C 90 153.092 -3.896 3.998 1.00 0.00 H new ATOM 0 HB3 PRO C 90 151.844 -3.824 5.227 1.00 0.00 H new ATOM 0 HG2 PRO C 90 151.616 -5.151 2.728 1.00 0.00 H new ATOM 0 HG3 PRO C 90 150.288 -4.803 3.818 1.00 0.00 H new ATOM 0 HD2 PRO C 90 151.064 -3.392 1.302 1.00 0.00 H new ATOM 0 HD3 PRO C 90 149.497 -3.465 2.083 1.00 0.00 H new