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+ 168:sc= 1.22 (180deg=0.972) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.13) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.16) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.09) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.878) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.07) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 84.680 5.893 5.457 1.00 0.00 N ATOM 65 CA LYS A 6 85.759 5.614 4.491 1.00 0.00 C ATOM 66 C LYS A 6 86.664 4.467 4.984 1.00 0.00 C ATOM 67 O LYS A 6 86.889 4.319 6.188 1.00 0.00 O ATOM 68 CB LYS A 6 86.542 6.927 4.284 1.00 0.00 C ATOM 69 CG LYS A 6 87.671 6.838 3.247 1.00 0.00 C ATOM 70 CD LYS A 6 88.353 8.202 3.063 1.00 0.00 C ATOM 71 CE LYS A 6 89.660 8.030 2.281 1.00 0.00 C ATOM 72 NZ LYS A 6 90.354 9.327 2.066 1.00 0.00 N ATOM 0 HA LYS A 6 85.348 5.278 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 6 85.845 7.707 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 6 86.966 7.237 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 6 88.406 6.099 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 6 87.269 6.496 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.688 8.882 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 6 88.557 8.651 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 6 90.319 7.351 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 6 89.448 7.568 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 91.319 9.151 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 89.831 9.889 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 90.399 9.850 2.964 1.00 0.00 H new ATOM 86 N GLY A 7 87.197 3.669 4.056 1.00 0.00 N ATOM 87 CA GLY A 7 88.130 2.572 4.350 1.00 0.00 C ATOM 88 C GLY A 7 89.481 3.038 4.931 1.00 0.00 C ATOM 89 O GLY A 7 89.880 4.189 4.720 1.00 0.00 O ATOM 0 H GLY A 7 86.991 3.766 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 87.659 1.887 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 88.314 2.010 3.435 1.00 0.00 H new ATOM 93 N PRO A 8 90.206 2.169 5.662 1.00 0.00 N ATOM 94 CA PRO A 8 91.457 2.532 6.335 1.00 0.00 C ATOM 95 C PRO A 8 92.657 2.646 5.377 1.00 0.00 C ATOM 96 O PRO A 8 92.705 2.015 4.317 1.00 0.00 O ATOM 97 CB PRO A 8 91.677 1.430 7.377 1.00 0.00 C ATOM 98 CG PRO A 8 91.025 0.209 6.733 1.00 0.00 C ATOM 99 CD PRO A 8 89.820 0.808 6.012 1.00 0.00 C ATOM 0 HA PRO A 8 91.380 3.524 6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 8 92.737 1.265 7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 8 91.212 1.679 8.331 1.00 0.00 H new ATOM 0 HG2 PRO A 8 91.702 -0.293 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 8 90.725 -0.529 7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 8 89.570 0.231 5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 8 88.938 0.804 6.653 1.00 0.00 H new ATOM 107 N LYS A 9 93.663 3.430 5.784 1.00 0.00 N ATOM 108 CA LYS A 9 94.951 3.579 5.082 1.00 0.00 C ATOM 109 C LYS A 9 95.695 2.233 4.972 1.00 0.00 C ATOM 110 O LYS A 9 95.668 1.425 5.905 1.00 0.00 O ATOM 111 CB LYS A 9 95.795 4.628 5.833 1.00 0.00 C ATOM 112 CG LYS A 9 97.020 5.080 5.021 1.00 0.00 C ATOM 113 CD LYS A 9 98.003 5.962 5.807 1.00 0.00 C ATOM 114 CE LYS A 9 98.758 5.150 6.872 1.00 0.00 C ATOM 115 NZ LYS A 9 99.795 5.965 7.559 1.00 0.00 N ATOM 0 H LYS A 9 93.606 3.994 6.632 1.00 0.00 H new ATOM 0 HA LYS A 9 94.772 3.915 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 9 95.174 5.494 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 9 96.126 4.212 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 9 97.549 4.198 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 9 96.678 5.628 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 9 98.717 6.415 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 9 97.460 6.777 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 9 98.050 4.769 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 9 99.228 4.285 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 99.992 5.558 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 100.667 5.967 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 99.452 6.941 7.670 1.00 0.00 H new ATOM 129 N GLY A 10 96.387 2.006 3.853 1.00 0.00 N ATOM 130 CA GLY A 10 97.236 0.827 3.638 1.00 0.00 C ATOM 131 C GLY A 10 98.514 0.784 4.503 1.00 0.00 C ATOM 132 O GLY A 10 98.913 1.806 5.073 1.00 0.00 O ATOM 0 H GLY A 10 96.374 2.644 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 10 96.648 -0.068 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 10 97.524 0.790 2.587 1.00 0.00 H new ATOM 136 N PRO A 11 99.177 -0.386 4.607 1.00 0.00 N ATOM 137 CA PRO A 11 100.385 -0.574 5.417 1.00 0.00 C ATOM 138 C PRO A 11 101.647 0.005 4.756 1.00 0.00 C ATOM 139 O PRO A 11 101.726 0.149 3.533 1.00 0.00 O ATOM 140 CB PRO A 11 100.504 -2.092 5.593 1.00 0.00 C ATOM 141 CG PRO A 11 99.903 -2.637 4.300 1.00 0.00 C ATOM 142 CD PRO A 11 98.766 -1.655 4.016 1.00 0.00 C ATOM 0 HA PRO A 11 100.303 -0.043 6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 11 101.541 -2.403 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 11 99.958 -2.440 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 11 100.633 -2.656 3.491 1.00 0.00 H new ATOM 0 HG3 PRO A 11 99.536 -3.656 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 11 98.599 -1.551 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 11 97.830 -2.004 4.452 1.00 0.00 H new ATOM 150 N LYS A 12 102.669 0.295 5.571 1.00 0.00 N ATOM 151 CA LYS A 12 103.992 0.762 5.118 1.00 0.00 C ATOM 152 C LYS A 12 104.635 -0.219 4.115 1.00 0.00 C ATOM 153 O LYS A 12 104.537 -1.439 4.279 1.00 0.00 O ATOM 154 CB LYS A 12 104.882 0.983 6.358 1.00 0.00 C ATOM 155 CG LYS A 12 106.197 1.696 6.004 1.00 0.00 C ATOM 156 CD LYS A 12 107.198 1.786 7.164 1.00 0.00 C ATOM 157 CE LYS A 12 107.779 0.404 7.500 1.00 0.00 C ATOM 158 NZ LYS A 12 108.832 0.488 8.547 1.00 0.00 N ATOM 0 H LYS A 12 102.601 0.211 6.585 1.00 0.00 H new ATOM 0 HA LYS A 12 103.880 1.704 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 12 104.337 1.573 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.104 0.021 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 12 106.668 1.172 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 12 105.969 2.704 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 12 108.005 2.469 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.705 2.200 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 12 106.979 -0.254 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 12 108.197 -0.043 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.128 -0.471 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 109.651 1.010 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 108.455 0.984 9.380 1.00 0.00 H new ATOM 172 N GLY A 13 105.305 0.315 3.091 1.00 0.00 N ATOM 173 CA GLY A 13 106.011 -0.459 2.060 1.00 0.00 C ATOM 174 C GLY A 13 107.252 -1.231 2.555 1.00 0.00 C ATOM 175 O GLY A 13 107.721 -1.008 3.677 1.00 0.00 O ATOM 0 H GLY A 13 105.375 1.323 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 13 105.312 -1.170 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 13 106.318 0.220 1.265 1.00 0.00 H new ATOM 179 N PRO A 14 107.806 -2.137 1.725 1.00 0.00 N ATOM 180 CA PRO A 14 108.956 -2.976 2.082 1.00 0.00 C ATOM 181 C PRO A 14 110.285 -2.202 2.092 1.00 0.00 C ATOM 182 O PRO A 14 110.497 -1.277 1.301 1.00 0.00 O ATOM 183 CB PRO A 14 108.975 -4.089 1.026 1.00 0.00 C ATOM 184 CG PRO A 14 108.372 -3.415 -0.204 1.00 0.00 C ATOM 185 CD PRO A 14 107.313 -2.493 0.400 1.00 0.00 C ATOM 0 HA PRO A 14 108.854 -3.360 3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 14 109.987 -4.445 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 14 108.388 -4.952 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 14 109.120 -2.857 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 14 107.933 -4.141 -0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 14 107.170 -1.605 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 14 106.348 -2.995 0.464 1.00 0.00 H new ATOM 193 N LYS A 15 111.213 -2.622 2.962 1.00 0.00 N ATOM 194 CA LYS A 15 112.593 -2.108 3.035 1.00 0.00 C ATOM 195 C LYS A 15 113.318 -2.267 1.686 1.00 0.00 C ATOM 196 O LYS A 15 113.174 -3.292 1.012 1.00 0.00 O ATOM 197 CB LYS A 15 113.321 -2.848 4.174 1.00 0.00 C ATOM 198 CG LYS A 15 114.751 -2.344 4.433 1.00 0.00 C ATOM 199 CD LYS A 15 115.342 -3.052 5.662 1.00 0.00 C ATOM 200 CE LYS A 15 116.858 -2.860 5.805 1.00 0.00 C ATOM 201 NZ LYS A 15 117.252 -1.478 6.191 1.00 0.00 N ATOM 0 H LYS A 15 111.023 -3.347 3.654 1.00 0.00 H new ATOM 0 HA LYS A 15 112.585 -1.039 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 15 112.739 -2.746 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 15 113.359 -3.911 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 15 115.375 -2.531 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 15 114.742 -1.266 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 15 114.850 -2.678 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 15 115.122 -4.118 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 15 117.235 -3.558 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 15 117.338 -3.115 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 118.276 -1.446 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 117.013 -0.821 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 116.742 -1.200 7.054 1.00 0.00 H new ATOM 215 N GLY A 16 114.097 -1.255 1.294 1.00 0.00 N ATOM 216 CA GLY A 16 114.833 -1.237 0.020 1.00 0.00 C ATOM 217 C GLY A 16 115.968 -2.278 -0.082 1.00 0.00 C ATOM 218 O GLY A 16 116.390 -2.839 0.936 1.00 0.00 O ATOM 0 H GLY A 16 114.238 -0.415 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 16 114.128 -1.407 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 16 115.256 -0.243 -0.126 1.00 0.00 H new ATOM 222 N PRO A 17 116.487 -2.547 -1.297 1.00 0.00 N ATOM 223 CA PRO A 17 117.566 -3.515 -1.519 1.00 0.00 C ATOM 224 C PRO A 17 118.945 -2.978 -1.093 1.00 0.00 C ATOM 225 O PRO A 17 119.198 -1.771 -1.104 1.00 0.00 O ATOM 226 CB PRO A 17 117.513 -3.823 -3.019 1.00 0.00 C ATOM 227 CG PRO A 17 116.991 -2.523 -3.629 1.00 0.00 C ATOM 228 CD PRO A 17 116.024 -2.000 -2.566 1.00 0.00 C ATOM 0 HA PRO A 17 117.428 -4.408 -0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 17 118.496 -4.084 -3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 17 116.851 -4.662 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 17 117.798 -1.816 -3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 17 116.487 -2.698 -4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 17 116.021 -0.910 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 17 115.003 -2.317 -2.778 1.00 0.00 H new ATOM 236 N LYS A 18 119.854 -3.887 -0.727 1.00 0.00 N ATOM 237 CA LYS A 18 121.227 -3.597 -0.266 1.00 0.00 C ATOM 238 C LYS A 18 122.072 -2.835 -1.309 1.00 0.00 C ATOM 239 O LYS A 18 121.909 -3.031 -2.517 1.00 0.00 O ATOM 240 CB LYS A 18 121.861 -4.946 0.115 1.00 0.00 C ATOM 241 CG LYS A 18 123.241 -4.825 0.772 1.00 0.00 C ATOM 242 CD LYS A 18 123.724 -6.205 1.234 1.00 0.00 C ATOM 243 CE LYS A 18 125.187 -6.122 1.675 1.00 0.00 C ATOM 244 NZ LYS A 18 125.701 -7.442 2.120 1.00 0.00 N ATOM 0 H LYS A 18 119.651 -4.887 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 18 121.192 -2.925 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.191 -5.471 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.950 -5.560 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 18 123.953 -4.399 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 18 123.190 -4.145 1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.106 -6.559 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.619 -6.927 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 18 125.796 -5.754 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 18 125.282 -5.401 2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.740 -7.445 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.401 -7.619 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.323 -8.188 1.502 1.00 0.00 H new ATOM 258 N GLY A 19 122.995 -1.990 -0.838 1.00 0.00 N ATOM 259 CA GLY A 19 123.904 -1.199 -1.685 1.00 0.00 C ATOM 260 C GLY A 19 125.108 -1.973 -2.270 1.00 0.00 C ATOM 261 O GLY A 19 125.374 -3.108 -1.862 1.00 0.00 O ATOM 0 H GLY A 19 123.137 -1.831 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 19 123.330 -0.777 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 19 124.282 -0.361 -1.099 1.00 0.00 H new ATOM 265 N PRO A 20 125.853 -1.373 -3.222 1.00 0.00 N ATOM 266 CA PRO A 20 127.016 -1.989 -3.878 1.00 0.00 C ATOM 267 C PRO A 20 128.300 -1.931 -3.027 1.00 0.00 C ATOM 268 O PRO A 20 128.456 -1.058 -2.169 1.00 0.00 O ATOM 269 CB PRO A 20 127.187 -1.192 -5.177 1.00 0.00 C ATOM 270 CG PRO A 20 126.713 0.208 -4.791 1.00 0.00 C ATOM 271 CD PRO A 20 125.560 -0.079 -3.829 1.00 0.00 C ATOM 0 HA PRO A 20 126.849 -3.053 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 20 128.224 -1.188 -5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 20 126.590 -1.610 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 20 127.504 0.786 -4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 20 126.383 0.777 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 20 125.483 0.699 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 20 124.607 -0.103 -4.358 1.00 0.00 H new ATOM 279 N LYS A 21 129.253 -2.839 -3.287 1.00 0.00 N ATOM 280 CA LYS A 21 130.559 -2.910 -2.595 1.00 0.00 C ATOM 281 C LYS A 21 131.359 -1.596 -2.712 1.00 0.00 C ATOM 282 O LYS A 21 131.353 -0.949 -3.763 1.00 0.00 O ATOM 283 CB LYS A 21 131.366 -4.102 -3.157 1.00 0.00 C ATOM 284 CG LYS A 21 132.580 -4.442 -2.273 1.00 0.00 C ATOM 285 CD LYS A 21 133.521 -5.514 -2.842 1.00 0.00 C ATOM 286 CE LYS A 21 134.293 -4.990 -4.062 1.00 0.00 C ATOM 287 NZ LYS A 21 135.317 -5.964 -4.529 1.00 0.00 N ATOM 0 H LYS A 21 129.140 -3.561 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 21 130.374 -3.060 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 21 130.718 -4.975 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 21 131.706 -3.867 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 21 133.153 -3.530 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 132.219 -4.777 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 21 134.225 -5.829 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 21 132.944 -6.394 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 21 133.594 -4.781 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 21 134.777 -4.047 -3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 135.612 -5.721 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 136.142 -5.930 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 134.914 -6.923 -4.521 1.00 0.00 H new ATOM 301 N GLY A 22 132.077 -1.226 -1.647 1.00 0.00 N ATOM 302 CA GLY A 22 132.984 -0.069 -1.626 1.00 0.00 C ATOM 303 C GLY A 22 134.277 -0.239 -2.454 1.00 0.00 C ATOM 304 O GLY A 22 134.622 -1.360 -2.844 1.00 0.00 O ATOM 0 H GLY A 22 132.045 -1.729 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 22 132.445 0.803 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 22 133.257 0.141 -0.592 1.00 0.00 H new ATOM 308 N PRO A 23 135.012 0.859 -2.722 1.00 0.00 N ATOM 309 CA PRO A 23 136.258 0.846 -3.497 1.00 0.00 C ATOM 310 C PRO A 23 137.470 0.351 -2.686 1.00 0.00 C ATOM 311 O PRO A 23 137.482 0.397 -1.453 1.00 0.00 O ATOM 312 CB PRO A 23 136.453 2.302 -3.939 1.00 0.00 C ATOM 313 CG PRO A 23 135.843 3.095 -2.785 1.00 0.00 C ATOM 314 CD PRO A 23 134.656 2.228 -2.365 1.00 0.00 C ATOM 0 HA PRO A 23 136.187 0.151 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 23 137.506 2.543 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 23 135.948 2.509 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 23 136.553 3.231 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 23 135.526 4.089 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 23 134.468 2.316 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 23 133.745 2.540 -2.875 1.00 0.00 H new ATOM 322 N LYS A 24 138.525 -0.085 -3.388 1.00 0.00 N ATOM 323 CA LYS A 24 139.808 -0.522 -2.803 1.00 0.00 C ATOM 324 C LYS A 24 140.421 0.548 -1.876 1.00 0.00 C ATOM 325 O LYS A 24 140.370 1.744 -2.177 1.00 0.00 O ATOM 326 CB LYS A 24 140.772 -0.878 -3.952 1.00 0.00 C ATOM 327 CG LYS A 24 142.037 -1.603 -3.462 1.00 0.00 C ATOM 328 CD LYS A 24 143.157 -1.687 -4.509 1.00 0.00 C ATOM 329 CE LYS A 24 143.809 -0.315 -4.743 1.00 0.00 C ATOM 330 NZ LYS A 24 144.966 -0.407 -5.674 1.00 0.00 N ATOM 0 H LYS A 24 138.513 -0.147 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 24 139.631 -1.398 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 24 140.253 -1.509 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 24 141.060 0.034 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 24 142.418 -1.090 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 24 141.767 -2.613 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 24 143.913 -2.399 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 24 142.752 -2.064 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 24 143.069 0.375 -5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 24 144.141 0.098 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 145.306 0.549 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 145.731 -0.949 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 144.671 -0.886 -6.549 1.00 0.00 H new ATOM 344 N GLY A 25 141.034 0.113 -0.772 1.00 0.00 N ATOM 345 CA GLY A 25 141.783 0.973 0.154 1.00 0.00 C ATOM 346 C GLY A 25 143.112 1.527 -0.400 1.00 0.00 C ATOM 347 O GLY A 25 143.587 1.076 -1.449 1.00 0.00 O ATOM 0 H GLY A 25 141.025 -0.867 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 25 141.149 1.812 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 25 141.993 0.407 1.062 1.00 0.00 H new ATOM 351 N PRO A 26 143.728 2.506 0.291 1.00 0.00 N ATOM 352 CA PRO A 26 144.947 3.183 -0.161 1.00 0.00 C ATOM 353 C PRO A 26 146.223 2.359 0.089 1.00 0.00 C ATOM 354 O PRO A 26 146.274 1.496 0.969 1.00 0.00 O ATOM 355 CB PRO A 26 144.972 4.496 0.629 1.00 0.00 C ATOM 356 CG PRO A 26 144.316 4.112 1.954 1.00 0.00 C ATOM 357 CD PRO A 26 143.242 3.112 1.527 1.00 0.00 C ATOM 0 HA PRO A 26 144.932 3.337 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 26 145.989 4.861 0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 26 144.419 5.285 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 26 145.032 3.666 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 26 143.885 4.978 2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 26 143.084 2.356 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 26 142.286 3.610 1.368 1.00 0.00 H new ATOM 365 N LYS A 27 147.289 2.657 -0.665 1.00 0.00 N ATOM 366 CA LYS A 27 148.621 2.038 -0.516 1.00 0.00 C ATOM 367 C LYS A 27 149.177 2.198 0.915 1.00 0.00 C ATOM 368 O LYS A 27 149.019 3.256 1.532 1.00 0.00 O ATOM 369 CB LYS A 27 149.555 2.647 -1.576 1.00 0.00 C ATOM 370 CG LYS A 27 150.940 1.986 -1.611 1.00 0.00 C ATOM 371 CD LYS A 27 151.795 2.577 -2.740 1.00 0.00 C ATOM 372 CE LYS A 27 153.244 2.098 -2.603 1.00 0.00 C ATOM 373 NZ LYS A 27 154.115 2.679 -3.659 1.00 0.00 N ATOM 0 H LYS A 27 147.253 3.350 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 27 148.545 0.963 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 27 149.090 2.554 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 27 149.673 3.712 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 151.442 2.131 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 27 150.832 0.911 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 27 151.393 2.276 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 27 151.758 3.666 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 27 153.628 2.375 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 27 153.275 1.010 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 155.088 2.333 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 153.763 2.394 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.104 3.716 -3.586 1.00 0.00 H new ATOM 387 N GLY A 28 149.823 1.150 1.435 1.00 0.00 N ATOM 388 CA GLY A 28 150.355 1.098 2.803 1.00 0.00 C ATOM 389 C GLY A 28 151.529 2.060 3.082 1.00 0.00 C ATOM 390 O GLY A 28 152.192 2.516 2.144 1.00 0.00 O ATOM 0 H GLY A 28 149.995 0.295 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 28 149.547 1.322 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 28 150.682 0.079 3.011 1.00 0.00 H new ATOM 394 N PRO A 29 151.817 2.359 4.365 1.00 0.00 N ATOM 395 CA PRO A 29 152.890 3.275 4.765 1.00 0.00 C ATOM 396 C PRO A 29 154.284 2.657 4.567 1.00 0.00 C ATOM 397 O PRO A 29 154.529 1.512 4.950 1.00 0.00 O ATOM 398 CB PRO A 29 152.613 3.590 6.242 1.00 0.00 C ATOM 399 CG PRO A 29 151.887 2.345 6.749 1.00 0.00 C ATOM 400 CD PRO A 29 151.074 1.902 5.534 1.00 0.00 C ATOM 0 HA PRO A 29 152.896 4.175 4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 29 153.536 3.767 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 29 151.999 4.484 6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 29 152.586 1.573 7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 29 151.247 2.570 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 29 150.952 0.819 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 29 150.074 2.335 5.555 1.00 0.00 H new ATOM 508 N GLY B 39 90.031 3.376 1.017 1.00 0.00 N ATOM 509 CA GLY B 39 91.160 3.962 1.757 1.00 0.00 C ATOM 510 C GLY B 39 92.391 4.297 0.896 1.00 0.00 C ATOM 511 O GLY B 39 92.547 3.803 -0.222 1.00 0.00 O ATOM 0 HA2 GLY B 39 90.820 4.873 2.250 1.00 0.00 H new ATOM 0 HA3 GLY B 39 91.461 3.268 2.542 1.00 0.00 H new ATOM 515 N ASP B 40 93.262 5.171 1.412 1.00 0.00 N ATOM 516 CA ASP B 40 94.471 5.668 0.739 1.00 0.00 C ATOM 517 C ASP B 40 95.701 4.726 0.829 1.00 0.00 C ATOM 518 O ASP B 40 95.810 3.950 1.784 1.00 0.00 O ATOM 519 CB ASP B 40 94.812 7.034 1.343 1.00 0.00 C ATOM 520 CG ASP B 40 93.846 8.123 0.859 1.00 0.00 C ATOM 521 OD1 ASP B 40 93.930 8.526 -0.326 1.00 0.00 O ATOM 522 OD2 ASP B 40 92.993 8.585 1.654 1.00 0.00 O ATOM 0 H ASP B 40 93.141 5.567 2.344 1.00 0.00 H new ATOM 0 HA ASP B 40 94.245 5.730 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP B 40 94.775 6.971 2.431 1.00 0.00 H new ATOM 0 HB3 ASP B 40 95.833 7.307 1.074 1.00 0.00 H new ATOM 542 N GLY B 42 99.599 3.276 1.546 1.00 0.00 N ATOM 543 CA GLY B 42 100.560 3.336 2.658 1.00 0.00 C ATOM 544 C GLY B 42 101.802 4.211 2.431 1.00 0.00 C ATOM 545 O GLY B 42 102.076 4.684 1.326 1.00 0.00 O ATOM 0 HA2 GLY B 42 100.039 3.703 3.542 1.00 0.00 H new ATOM 0 HA3 GLY B 42 100.891 2.322 2.881 1.00 0.00 H new ATOM 549 N ASP B 43 102.566 4.417 3.507 1.00 0.00 N ATOM 550 CA ASP B 43 103.815 5.188 3.525 1.00 0.00 C ATOM 551 C ASP B 43 105.013 4.407 2.928 1.00 0.00 C ATOM 552 O ASP B 43 105.009 3.171 2.950 1.00 0.00 O ATOM 553 CB ASP B 43 104.106 5.578 4.981 1.00 0.00 C ATOM 554 CG ASP B 43 103.166 6.689 5.473 1.00 0.00 C ATOM 555 OD1 ASP B 43 103.461 7.883 5.221 1.00 0.00 O ATOM 556 OD2 ASP B 43 102.135 6.375 6.116 1.00 0.00 O ATOM 0 H ASP B 43 102.324 4.039 4.423 1.00 0.00 H new ATOM 0 HA ASP B 43 103.688 6.070 2.898 1.00 0.00 H new ATOM 0 HB2 ASP B 43 103.999 4.702 5.620 1.00 0.00 H new ATOM 0 HB3 ASP B 43 105.140 5.912 5.068 1.00 0.00 H new ATOM 576 N GLY B 45 108.616 2.458 2.300 1.00 0.00 N ATOM 577 CA GLY B 45 109.603 1.638 3.010 1.00 0.00 C ATOM 578 C GLY B 45 110.880 2.373 3.423 1.00 0.00 C ATOM 579 O GLY B 45 111.240 3.413 2.870 1.00 0.00 O ATOM 0 HA2 GLY B 45 109.135 1.225 3.904 1.00 0.00 H new ATOM 0 HA3 GLY B 45 109.876 0.795 2.375 1.00 0.00 H new ATOM 583 N ASP B 46 111.575 1.811 4.413 1.00 0.00 N ATOM 584 CA ASP B 46 112.875 2.284 4.882 1.00 0.00 C ATOM 585 C ASP B 46 113.997 1.997 3.856 1.00 0.00 C ATOM 586 O ASP B 46 113.903 1.017 3.107 1.00 0.00 O ATOM 587 CB ASP B 46 113.172 1.594 6.218 1.00 0.00 C ATOM 588 CG ASP B 46 112.301 2.152 7.355 1.00 0.00 C ATOM 589 OD1 ASP B 46 112.683 3.183 7.958 1.00 0.00 O ATOM 590 OD2 ASP B 46 111.233 1.563 7.651 1.00 0.00 O ATOM 0 H ASP B 46 111.239 0.994 4.923 1.00 0.00 H new ATOM 0 HA ASP B 46 112.842 3.366 5.009 1.00 0.00 H new ATOM 0 HB2 ASP B 46 112.999 0.522 6.120 1.00 0.00 H new ATOM 0 HB3 ASP B 46 114.225 1.725 6.469 1.00 0.00 H new ATOM 610 N GLY B 48 117.439 0.639 2.014 1.00 0.00 N ATOM 611 CA GLY B 48 118.302 -0.543 2.070 1.00 0.00 C ATOM 612 C GLY B 48 119.572 -0.326 2.898 1.00 0.00 C ATOM 613 O GLY B 48 119.982 0.804 3.172 1.00 0.00 O ATOM 0 HA2 GLY B 48 117.739 -1.376 2.492 1.00 0.00 H new ATOM 0 HA3 GLY B 48 118.582 -0.829 1.056 1.00 0.00 H new ATOM 617 N ASP B 49 120.203 -1.424 3.309 1.00 0.00 N ATOM 618 CA ASP B 49 121.421 -1.401 4.111 1.00 0.00 C ATOM 619 C ASP B 49 122.674 -1.097 3.258 1.00 0.00 C ATOM 620 O ASP B 49 122.684 -1.399 2.056 1.00 0.00 O ATOM 621 CB ASP B 49 121.540 -2.764 4.800 1.00 0.00 C ATOM 622 CG ASP B 49 120.442 -3.010 5.851 1.00 0.00 C ATOM 623 OD1 ASP B 49 119.983 -2.045 6.513 1.00 0.00 O ATOM 624 OD2 ASP B 49 120.013 -4.177 6.008 1.00 0.00 O ATOM 0 H ASP B 49 119.877 -2.366 3.091 1.00 0.00 H new ATOM 0 HA ASP B 49 121.361 -0.600 4.848 1.00 0.00 H new ATOM 0 HB2 ASP B 49 121.495 -3.550 4.046 1.00 0.00 H new ATOM 0 HB3 ASP B 49 122.516 -2.838 5.280 1.00 0.00 H new ATOM 644 N GLY B 51 126.299 -1.344 1.359 1.00 0.00 N ATOM 645 CA GLY B 51 127.125 -2.391 0.748 1.00 0.00 C ATOM 646 C GLY B 51 128.321 -2.820 1.613 1.00 0.00 C ATOM 647 O GLY B 51 128.658 -2.177 2.612 1.00 0.00 O ATOM 0 HA2 GLY B 51 126.502 -3.263 0.548 1.00 0.00 H new ATOM 0 HA3 GLY B 51 127.493 -2.035 -0.214 1.00 0.00 H new ATOM 651 N ASP B 52 128.984 -3.913 1.229 1.00 0.00 N ATOM 652 CA ASP B 52 130.166 -4.425 1.927 1.00 0.00 C ATOM 653 C ASP B 52 131.424 -3.536 1.768 1.00 0.00 C ATOM 654 O ASP B 52 131.584 -2.872 0.735 1.00 0.00 O ATOM 655 CB ASP B 52 130.446 -5.859 1.461 1.00 0.00 C ATOM 656 CG ASP B 52 129.537 -6.871 2.169 1.00 0.00 C ATOM 657 OD1 ASP B 52 128.406 -7.124 1.690 1.00 0.00 O ATOM 658 OD2 ASP B 52 129.949 -7.412 3.223 1.00 0.00 O ATOM 0 H ASP B 52 128.714 -4.472 0.419 1.00 0.00 H new ATOM 0 HA ASP B 52 129.939 -4.411 2.993 1.00 0.00 H new ATOM 0 HB2 ASP B 52 130.297 -5.927 0.383 1.00 0.00 H new ATOM 0 HB3 ASP B 52 131.489 -6.108 1.655 1.00 0.00 H new ATOM 678 N GLY B 54 135.226 -2.315 0.894 1.00 0.00 N ATOM 679 CA GLY B 54 136.189 -2.556 -0.185 1.00 0.00 C ATOM 680 C GLY B 54 137.406 -3.406 0.202 1.00 0.00 C ATOM 681 O GLY B 54 137.686 -3.654 1.378 1.00 0.00 O ATOM 0 HA2 GLY B 54 135.671 -3.046 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY B 54 136.542 -1.594 -0.557 1.00 0.00 H new ATOM 685 N ASP B 55 138.139 -3.852 -0.819 1.00 0.00 N ATOM 686 CA ASP B 55 139.337 -4.684 -0.680 1.00 0.00 C ATOM 687 C ASP B 55 140.532 -3.916 -0.061 1.00 0.00 C ATOM 688 O ASP B 55 140.657 -2.704 -0.276 1.00 0.00 O ATOM 689 CB ASP B 55 139.703 -5.227 -2.068 1.00 0.00 C ATOM 690 CG ASP B 55 138.766 -6.366 -2.496 1.00 0.00 C ATOM 691 OD1 ASP B 55 137.703 -6.085 -3.103 1.00 0.00 O ATOM 692 OD2 ASP B 55 139.090 -7.547 -2.225 1.00 0.00 O ATOM 0 H ASP B 55 137.911 -3.640 -1.790 1.00 0.00 H new ATOM 0 HA ASP B 55 139.116 -5.499 0.009 1.00 0.00 H new ATOM 0 HB2 ASP B 55 139.653 -4.420 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP B 55 140.732 -5.586 -2.059 1.00 0.00 H new ATOM 712 N GLY B 57 144.248 -2.237 0.570 1.00 0.00 N ATOM 713 CA GLY B 57 145.278 -1.585 -0.247 1.00 0.00 C ATOM 714 C GLY B 57 146.513 -2.447 -0.540 1.00 0.00 C ATOM 715 O GLY B 57 146.754 -3.479 0.091 1.00 0.00 O ATOM 0 HA2 GLY B 57 144.832 -1.282 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY B 57 145.600 -0.675 0.259 1.00 0.00 H new ATOM 719 N ASP B 58 147.325 -1.998 -1.499 1.00 0.00 N ATOM 720 CA ASP B 58 148.616 -2.595 -1.838 1.00 0.00 C ATOM 721 C ASP B 58 149.691 -2.278 -0.769 1.00 0.00 C ATOM 722 O ASP B 58 149.630 -1.209 -0.153 1.00 0.00 O ATOM 723 CB ASP B 58 149.033 -2.044 -3.207 1.00 0.00 C ATOM 724 CG ASP B 58 148.111 -2.549 -4.329 1.00 0.00 C ATOM 725 OD1 ASP B 58 148.310 -3.693 -4.804 1.00 0.00 O ATOM 726 OD2 ASP B 58 147.188 -1.801 -4.738 1.00 0.00 O ATOM 0 H ASP B 58 147.096 -1.188 -2.075 1.00 0.00 H new ATOM 0 HA ASP B 58 148.523 -3.681 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP B 58 149.013 -0.954 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP B 58 150.060 -2.339 -3.420 1.00 0.00 H new ATOM 898 N GLY C 74 102.277 0.705 0.713 1.00 0.00 N ATOM 899 CA GLY C 74 103.125 1.817 0.273 1.00 0.00 C ATOM 900 C GLY C 74 104.268 1.407 -0.677 1.00 0.00 C ATOM 901 O GLY C 74 104.567 0.214 -0.808 1.00 0.00 O ATOM 0 HA2 GLY C 74 102.501 2.558 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY C 74 103.554 2.301 1.151 1.00 0.00 H new ATOM 905 N PRO C 75 104.928 2.378 -1.341 1.00 0.00 N ATOM 906 CA PRO C 75 106.080 2.113 -2.204 1.00 0.00 C ATOM 907 C PRO C 75 107.315 1.512 -1.489 1.00 0.00 C ATOM 908 O PRO C 75 107.550 1.820 -0.315 1.00 0.00 O ATOM 909 CB PRO C 75 106.387 3.423 -2.942 1.00 0.00 C ATOM 910 CG PRO C 75 105.408 4.463 -2.394 1.00 0.00 C ATOM 911 CD PRO C 75 104.700 3.810 -1.211 1.00 0.00 C ATOM 0 HA PRO C 75 105.821 1.319 -2.905 1.00 0.00 H new ATOM 0 HB2 PRO C 75 107.418 3.732 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO C 75 106.263 3.301 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO C 75 105.935 5.365 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO C 75 104.691 4.762 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO C 75 105.096 4.183 -0.266 1.00 0.00 H new ATOM 0 HD3 PRO C 75 103.634 4.037 -1.222 1.00 0.00 H new ATOM 934 N GLY C 77 111.244 1.128 -0.253 1.00 0.00 N ATOM 935 CA GLY C 77 112.353 2.029 0.086 1.00 0.00 C ATOM 936 C GLY C 77 113.461 2.057 -0.987 1.00 0.00 C ATOM 937 O GLY C 77 113.539 1.144 -1.818 1.00 0.00 O ATOM 0 HA2 GLY C 77 111.964 3.038 0.224 1.00 0.00 H new ATOM 0 HA3 GLY C 77 112.785 1.721 1.038 1.00 0.00 H new ATOM 941 N PRO C 78 114.335 3.082 -0.985 1.00 0.00 N ATOM 942 CA PRO C 78 115.404 3.227 -1.978 1.00 0.00 C ATOM 943 C PRO C 78 116.560 2.224 -1.763 1.00 0.00 C ATOM 944 O PRO C 78 116.749 1.735 -0.641 1.00 0.00 O ATOM 945 CB PRO C 78 115.889 4.674 -1.828 1.00 0.00 C ATOM 946 CG PRO C 78 115.614 4.989 -0.359 1.00 0.00 C ATOM 947 CD PRO C 78 114.319 4.226 -0.083 1.00 0.00 C ATOM 0 HA PRO C 78 115.036 3.012 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO C 78 116.948 4.770 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO C 78 115.349 5.350 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO C 78 116.426 4.653 0.285 1.00 0.00 H new ATOM 0 HG3 PRO C 78 115.496 6.059 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO C 78 114.269 3.904 0.957 1.00 0.00 H new ATOM 0 HD3 PRO C 78 113.448 4.855 -0.264 1.00 0.00 H new ATOM 970 N GLY C 80 120.272 0.871 -0.867 1.00 0.00 N ATOM 971 CA GLY C 80 121.230 1.246 0.176 1.00 0.00 C ATOM 972 C GLY C 80 122.467 2.000 -0.352 1.00 0.00 C ATOM 973 O GLY C 80 122.795 1.887 -1.540 1.00 0.00 O ATOM 0 HA2 GLY C 80 120.724 1.870 0.913 1.00 0.00 H new ATOM 0 HA3 GLY C 80 121.560 0.345 0.693 1.00 0.00 H new ATOM 977 N PRO C 81 123.177 2.758 0.507 1.00 0.00 N ATOM 978 CA PRO C 81 124.423 3.427 0.132 1.00 0.00 C ATOM 979 C PRO C 81 125.581 2.488 -0.274 1.00 0.00 C ATOM 980 O PRO C 81 125.655 1.354 0.215 1.00 0.00 O ATOM 981 CB PRO C 81 124.784 4.368 1.290 1.00 0.00 C ATOM 982 CG PRO C 81 123.728 4.137 2.373 1.00 0.00 C ATOM 983 CD PRO C 81 122.913 2.926 1.929 1.00 0.00 C ATOM 0 HA PRO C 81 124.259 3.984 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO C 81 125.783 4.154 1.669 1.00 0.00 H new ATOM 0 HB3 PRO C 81 124.784 5.407 0.962 1.00 0.00 H new ATOM 0 HG2 PRO C 81 124.197 3.956 3.340 1.00 0.00 H new ATOM 0 HG3 PRO C 81 123.090 5.014 2.487 1.00 0.00 H new ATOM 0 HD2 PRO C 81 123.203 2.036 2.487 1.00 0.00 H new ATOM 0 HD3 PRO C 81 121.850 3.084 2.112 1.00 0.00 H new ATOM 1006 N GLY C 83 129.172 0.738 -0.033 1.00 0.00 N ATOM 1007 CA GLY C 83 129.966 0.301 1.117 1.00 0.00 C ATOM 1008 C GLY C 83 131.191 1.193 1.397 1.00 0.00 C ATOM 1009 O GLY C 83 131.634 1.931 0.508 1.00 0.00 O ATOM 0 HA2 GLY C 83 129.330 0.284 2.002 1.00 0.00 H new ATOM 0 HA3 GLY C 83 130.303 -0.722 0.947 1.00 0.00 H new ATOM 1013 N PRO C 84 131.766 1.135 2.613 1.00 0.00 N ATOM 1014 CA PRO C 84 132.979 1.880 2.947 1.00 0.00 C ATOM 1015 C PRO C 84 134.228 1.513 2.117 1.00 0.00 C ATOM 1016 O PRO C 84 134.387 0.347 1.738 1.00 0.00 O ATOM 1017 CB PRO C 84 133.185 1.735 4.460 1.00 0.00 C ATOM 1018 CG PRO C 84 132.041 0.851 4.959 1.00 0.00 C ATOM 1019 CD PRO C 84 131.372 0.271 3.717 1.00 0.00 C ATOM 0 HA PRO C 84 132.838 2.926 2.673 1.00 0.00 H new ATOM 0 HB2 PRO C 84 134.152 1.283 4.680 1.00 0.00 H new ATOM 0 HB3 PRO C 84 133.169 2.708 4.951 1.00 0.00 H new ATOM 0 HG2 PRO C 84 132.417 0.057 5.604 1.00 0.00 H new ATOM 0 HG3 PRO C 84 131.330 1.431 5.548 1.00 0.00 H new ATOM 0 HD2 PRO C 84 131.693 -0.756 3.543 1.00 0.00 H new ATOM 0 HD3 PRO C 84 130.288 0.251 3.830 1.00 0.00 H new ATOM 1042 N GLY C 86 138.025 0.280 1.433 1.00 0.00 N ATOM 1043 CA GLY C 86 138.868 -0.725 2.090 1.00 0.00 C ATOM 1044 C GLY C 86 139.961 -0.132 3.002 1.00 0.00 C ATOM 1045 O GLY C 86 140.258 1.067 2.922 1.00 0.00 O ATOM 0 HA2 GLY C 86 138.234 -1.384 2.683 1.00 0.00 H new ATOM 0 HA3 GLY C 86 139.342 -1.341 1.326 1.00 0.00 H new ATOM 1049 N PRO C 87 140.586 -0.954 3.865 1.00 0.00 N ATOM 1050 CA PRO C 87 141.647 -0.507 4.769 1.00 0.00 C ATOM 1051 C PRO C 87 142.963 -0.201 4.022 1.00 0.00 C ATOM 1052 O PRO C 87 143.196 -0.754 2.939 1.00 0.00 O ATOM 1053 CB PRO C 87 141.826 -1.655 5.769 1.00 0.00 C ATOM 1054 CG PRO C 87 141.411 -2.893 4.975 1.00 0.00 C ATOM 1055 CD PRO C 87 140.300 -2.369 4.066 1.00 0.00 C ATOM 0 HA PRO C 87 141.380 0.429 5.260 1.00 0.00 H new ATOM 0 HB2 PRO C 87 142.857 -1.728 6.115 1.00 0.00 H new ATOM 0 HB3 PRO C 87 141.202 -1.518 6.652 1.00 0.00 H new ATOM 0 HG2 PRO C 87 142.243 -3.300 4.400 1.00 0.00 H new ATOM 0 HG3 PRO C 87 141.055 -3.689 5.628 1.00 0.00 H new ATOM 0 HD2 PRO C 87 140.287 -2.904 3.116 1.00 0.00 H new ATOM 0 HD3 PRO C 87 139.321 -2.509 4.524 1.00 0.00 H new ATOM 1078 N GLY C 89 146.811 -0.654 2.904 1.00 0.00 N ATOM 1079 CA GLY C 89 147.630 -1.848 2.673 1.00 0.00 C ATOM 1080 C GLY C 89 148.636 -2.142 3.801 1.00 0.00 C ATOM 1081 O GLY C 89 148.871 -1.281 4.658 1.00 0.00 O ATOM 0 HA2 GLY C 89 146.973 -2.709 2.552 1.00 0.00 H new ATOM 0 HA3 GLY C 89 148.174 -1.728 1.736 1.00 0.00 H new ATOM 1085 N PRO C 90 149.276 -3.328 3.799 1.00 0.00 N ATOM 1086 CA PRO C 90 150.259 -3.679 4.822 1.00 0.00 C ATOM 1087 C PRO C 90 151.493 -2.748 4.863 1.00 0.00 C ATOM 1088 O PRO C 90 151.980 -2.344 3.799 1.00 0.00 O ATOM 1089 CB PRO C 90 150.607 -5.159 4.615 1.00 0.00 C ATOM 1090 CG PRO C 90 149.642 -5.662 3.539 1.00 0.00 C ATOM 1091 CD PRO C 90 149.076 -4.421 2.857 1.00 0.00 C ATOM 0 HA PRO C 90 149.828 -3.529 5.812 1.00 0.00 H new ATOM 0 HB2 PRO C 90 151.643 -5.277 4.298 1.00 0.00 H new ATOM 0 HB3 PRO C 90 150.490 -5.722 5.541 1.00 0.00 H new ATOM 0 HG2 PRO C 90 150.158 -6.299 2.821 1.00 0.00 H new ATOM 0 HG3 PRO C 90 148.845 -6.260 3.981 1.00 0.00 H new ATOM 0 HD2 PRO C 90 149.587 -4.224 1.915 1.00 0.00 H new ATOM 0 HD3 PRO C 90 148.019 -4.549 2.625 1.00 0.00 H new