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+ 157:sc= 1.23 (180deg=1.14) USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.03) USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.24) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.17) USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.977) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.3 (180deg=1.15) USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 85.226 6.941 4.921 1.00 0.00 N ATOM 65 CA LYS A 6 86.519 6.757 4.229 1.00 0.00 C ATOM 66 C LYS A 6 87.185 5.425 4.633 1.00 0.00 C ATOM 67 O LYS A 6 87.062 4.995 5.783 1.00 0.00 O ATOM 68 CB LYS A 6 87.417 7.971 4.529 1.00 0.00 C ATOM 69 CG LYS A 6 88.703 7.994 3.687 1.00 0.00 C ATOM 70 CD LYS A 6 89.499 9.282 3.928 1.00 0.00 C ATOM 71 CE LYS A 6 90.886 9.154 3.288 1.00 0.00 C ATOM 72 NZ LYS A 6 91.686 10.395 3.454 1.00 0.00 N ATOM 0 HA LYS A 6 86.356 6.699 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.854 8.886 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 6 87.682 7.966 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 6 89.319 7.130 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.450 7.912 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 6 88.969 10.135 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 6 89.596 9.467 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 6 91.418 8.316 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 6 90.778 8.930 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 92.698 10.168 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 91.427 11.077 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 91.494 10.809 4.388 1.00 0.00 H new ATOM 86 N GLY A 7 87.917 4.789 3.714 1.00 0.00 N ATOM 87 CA GLY A 7 88.699 3.568 3.974 1.00 0.00 C ATOM 88 C GLY A 7 90.033 3.796 4.720 1.00 0.00 C ATOM 89 O GLY A 7 90.493 4.938 4.830 1.00 0.00 O ATOM 0 H GLY A 7 87.987 5.111 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 7 88.087 2.879 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 88.910 3.080 3.023 1.00 0.00 H new ATOM 93 N PRO A 8 90.674 2.729 5.241 1.00 0.00 N ATOM 94 CA PRO A 8 91.898 2.827 6.047 1.00 0.00 C ATOM 95 C PRO A 8 93.178 3.015 5.210 1.00 0.00 C ATOM 96 O PRO A 8 93.293 2.521 4.085 1.00 0.00 O ATOM 97 CB PRO A 8 91.948 1.517 6.841 1.00 0.00 C ATOM 98 CG PRO A 8 91.267 0.516 5.911 1.00 0.00 C ATOM 99 CD PRO A 8 90.184 1.356 5.232 1.00 0.00 C ATOM 0 HA PRO A 8 91.865 3.712 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 8 92.973 1.223 7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 8 91.423 1.603 7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 8 91.966 0.098 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 8 90.841 -0.322 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 8 90.006 1.012 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 8 89.237 1.276 5.766 1.00 0.00 H new ATOM 107 N LYS A 9 94.174 3.696 5.792 1.00 0.00 N ATOM 108 CA LYS A 9 95.524 3.897 5.225 1.00 0.00 C ATOM 109 C LYS A 9 96.267 2.565 5.005 1.00 0.00 C ATOM 110 O LYS A 9 96.157 1.643 5.818 1.00 0.00 O ATOM 111 CB LYS A 9 96.293 4.841 6.172 1.00 0.00 C ATOM 112 CG LYS A 9 97.687 5.239 5.663 1.00 0.00 C ATOM 113 CD LYS A 9 98.376 6.190 6.652 1.00 0.00 C ATOM 114 CE LYS A 9 99.842 6.391 6.249 1.00 0.00 C ATOM 115 NZ LYS A 9 100.584 7.208 7.246 1.00 0.00 N ATOM 0 H LYS A 9 94.063 4.140 6.704 1.00 0.00 H new ATOM 0 HA LYS A 9 95.446 4.347 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 9 95.702 5.744 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 9 96.397 4.358 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 9 98.297 4.347 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 9 97.600 5.720 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 9 97.859 7.150 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 9 98.320 5.782 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 9 100.326 5.420 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 9 99.887 6.878 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 101.603 7.021 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 100.401 8.217 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 100.267 6.958 8.205 1.00 0.00 H new ATOM 129 N GLY A 10 97.039 2.474 3.917 1.00 0.00 N ATOM 130 CA GLY A 10 97.814 1.279 3.548 1.00 0.00 C ATOM 131 C GLY A 10 99.100 1.049 4.373 1.00 0.00 C ATOM 132 O GLY A 10 99.534 1.938 5.113 1.00 0.00 O ATOM 0 H GLY A 10 97.146 3.242 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 10 97.173 0.403 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 98.085 1.352 2.495 1.00 0.00 H new ATOM 136 N PRO A 11 99.728 -0.140 4.256 1.00 0.00 N ATOM 137 CA PRO A 11 100.919 -0.520 5.028 1.00 0.00 C ATOM 138 C PRO A 11 102.209 0.167 4.548 1.00 0.00 C ATOM 139 O PRO A 11 102.402 0.405 3.352 1.00 0.00 O ATOM 140 CB PRO A 11 101.025 -2.043 4.866 1.00 0.00 C ATOM 141 CG PRO A 11 100.388 -2.300 3.501 1.00 0.00 C ATOM 142 CD PRO A 11 99.262 -1.269 3.461 1.00 0.00 C ATOM 0 HA PRO A 11 100.812 -0.204 6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 11 102.062 -2.379 4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 11 100.497 -2.569 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 11 101.099 -2.156 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 11 100.009 -3.318 3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 11 99.048 -0.964 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 11 98.340 -1.681 3.870 1.00 0.00 H new ATOM 150 N LYS A 12 103.128 0.435 5.488 1.00 0.00 N ATOM 151 CA LYS A 12 104.490 0.943 5.228 1.00 0.00 C ATOM 152 C LYS A 12 105.307 -0.026 4.351 1.00 0.00 C ATOM 153 O LYS A 12 105.191 -1.247 4.487 1.00 0.00 O ATOM 154 CB LYS A 12 105.164 1.218 6.593 1.00 0.00 C ATOM 155 CG LYS A 12 106.608 1.736 6.493 1.00 0.00 C ATOM 156 CD LYS A 12 107.086 2.280 7.850 1.00 0.00 C ATOM 157 CE LYS A 12 108.595 2.567 7.871 1.00 0.00 C ATOM 158 NZ LYS A 12 109.396 1.333 8.101 1.00 0.00 N ATOM 0 H LYS A 12 102.941 0.301 6.482 1.00 0.00 H new ATOM 0 HA LYS A 12 104.439 1.870 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 12 104.566 1.947 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.160 0.299 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 12 107.266 0.931 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 12 106.666 2.522 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 12 106.542 3.196 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.846 1.559 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 12 108.891 3.020 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 12 108.815 3.293 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 110.391 1.515 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 109.328 1.056 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 109.029 0.565 7.504 1.00 0.00 H new ATOM 172 N GLY A 13 106.132 0.522 3.456 1.00 0.00 N ATOM 173 CA GLY A 13 106.895 -0.237 2.456 1.00 0.00 C ATOM 174 C GLY A 13 108.134 -0.981 2.993 1.00 0.00 C ATOM 175 O GLY A 13 108.554 -0.752 4.134 1.00 0.00 O ATOM 0 H GLY A 13 106.293 1.528 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.229 -0.964 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.216 0.449 1.672 1.00 0.00 H new ATOM 179 N PRO A 14 108.734 -1.874 2.181 1.00 0.00 N ATOM 180 CA PRO A 14 109.878 -2.701 2.575 1.00 0.00 C ATOM 181 C PRO A 14 111.213 -1.936 2.555 1.00 0.00 C ATOM 182 O PRO A 14 111.408 -0.996 1.779 1.00 0.00 O ATOM 183 CB PRO A 14 109.889 -3.854 1.563 1.00 0.00 C ATOM 184 CG PRO A 14 109.327 -3.213 0.296 1.00 0.00 C ATOM 185 CD PRO A 14 108.286 -2.235 0.840 1.00 0.00 C ATOM 0 HA PRO A 14 109.775 -3.040 3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 14 110.895 -4.242 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 14 109.274 -4.690 1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 14 110.102 -2.702 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 14 108.878 -3.953 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 14 108.209 -1.353 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 14 107.298 -2.694 0.869 1.00 0.00 H new ATOM 193 N LYS A 15 112.167 -2.373 3.389 1.00 0.00 N ATOM 194 CA LYS A 15 113.544 -1.845 3.439 1.00 0.00 C ATOM 195 C LYS A 15 114.246 -1.959 2.071 1.00 0.00 C ATOM 196 O LYS A 15 114.099 -2.968 1.373 1.00 0.00 O ATOM 197 CB LYS A 15 114.306 -2.601 4.548 1.00 0.00 C ATOM 198 CG LYS A 15 115.731 -2.074 4.789 1.00 0.00 C ATOM 199 CD LYS A 15 116.378 -2.822 5.965 1.00 0.00 C ATOM 200 CE LYS A 15 117.892 -2.587 6.074 1.00 0.00 C ATOM 201 NZ LYS A 15 118.250 -1.206 6.499 1.00 0.00 N ATOM 0 H LYS A 15 112.002 -3.120 4.064 1.00 0.00 H new ATOM 0 HA LYS A 15 113.526 -0.781 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 15 113.740 -2.532 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 15 114.359 -3.658 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 15 116.333 -2.205 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 15 115.701 -1.005 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 15 115.901 -2.508 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 15 116.190 -3.890 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 15 118.312 -3.298 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 15 118.354 -2.793 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 119.281 -1.136 6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 117.938 -0.528 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 117.782 -0.988 7.402 1.00 0.00 H new ATOM 215 N GLY A 16 115.009 -0.930 1.692 1.00 0.00 N ATOM 216 CA GLY A 16 115.721 -0.857 0.408 1.00 0.00 C ATOM 217 C GLY A 16 116.892 -1.851 0.257 1.00 0.00 C ATOM 218 O GLY A 16 117.340 -2.439 1.248 1.00 0.00 O ATOM 0 H GLY A 16 115.153 -0.108 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 16 115.008 -1.034 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 16 116.104 0.155 0.278 1.00 0.00 H new ATOM 222 N PRO A 17 117.412 -2.044 -0.971 1.00 0.00 N ATOM 223 CA PRO A 17 118.518 -2.964 -1.251 1.00 0.00 C ATOM 224 C PRO A 17 119.887 -2.404 -0.819 1.00 0.00 C ATOM 225 O PRO A 17 120.115 -1.192 -0.812 1.00 0.00 O ATOM 226 CB PRO A 17 118.457 -3.199 -2.764 1.00 0.00 C ATOM 227 CG PRO A 17 117.888 -1.888 -3.303 1.00 0.00 C ATOM 228 CD PRO A 17 116.913 -1.455 -2.209 1.00 0.00 C ATOM 0 HA PRO A 17 118.414 -3.888 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 17 119.443 -3.409 -3.178 1.00 0.00 H new ATOM 0 HB3 PRO A 17 117.819 -4.047 -3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 17 118.670 -1.145 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 17 117.384 -2.031 -4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 17 116.868 -0.369 -2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 17 115.903 -1.802 -2.427 1.00 0.00 H new ATOM 236 N LYS A 18 120.819 -3.300 -0.473 1.00 0.00 N ATOM 237 CA LYS A 18 122.191 -2.985 -0.024 1.00 0.00 C ATOM 238 C LYS A 18 123.010 -2.215 -1.081 1.00 0.00 C ATOM 239 O LYS A 18 122.842 -2.428 -2.285 1.00 0.00 O ATOM 240 CB LYS A 18 122.860 -4.319 0.357 1.00 0.00 C ATOM 241 CG LYS A 18 124.239 -4.165 1.014 1.00 0.00 C ATOM 242 CD LYS A 18 124.801 -5.538 1.402 1.00 0.00 C ATOM 243 CE LYS A 18 126.267 -5.403 1.824 1.00 0.00 C ATOM 244 NZ LYS A 18 126.861 -6.722 2.163 1.00 0.00 N ATOM 0 H LYS A 18 120.637 -4.303 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 18 122.149 -2.314 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 18 122.204 -4.860 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 18 122.963 -4.930 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 18 124.923 -3.666 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 124.159 -3.534 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 18 124.216 -5.962 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 18 124.718 -6.225 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 126.838 -4.943 1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 18 126.339 -4.739 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 127.860 -6.738 1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 126.796 -6.879 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 126.344 -7.474 1.665 1.00 0.00 H new ATOM 258 N GLY A 19 123.920 -1.348 -0.627 1.00 0.00 N ATOM 259 CA GLY A 19 124.821 -0.569 -1.490 1.00 0.00 C ATOM 260 C GLY A 19 126.013 -1.357 -2.077 1.00 0.00 C ATOM 261 O GLY A 19 126.300 -2.473 -1.630 1.00 0.00 O ATOM 0 H GLY A 19 124.056 -1.163 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 19 124.240 -0.153 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 19 125.209 0.273 -0.917 1.00 0.00 H new ATOM 265 N PRO A 20 126.724 -0.796 -3.077 1.00 0.00 N ATOM 266 CA PRO A 20 127.849 -1.454 -3.756 1.00 0.00 C ATOM 267 C PRO A 20 129.164 -1.412 -2.952 1.00 0.00 C ATOM 268 O PRO A 20 129.416 -0.482 -2.183 1.00 0.00 O ATOM 269 CB PRO A 20 127.994 -0.698 -5.082 1.00 0.00 C ATOM 270 CG PRO A 20 127.540 0.717 -4.729 1.00 0.00 C ATOM 271 CD PRO A 20 126.410 0.470 -3.730 1.00 0.00 C ATOM 0 HA PRO A 20 127.649 -2.518 -3.886 1.00 0.00 H new ATOM 0 HB2 PRO A 20 129.022 -0.712 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 20 127.375 -1.136 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 20 128.347 1.303 -4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 20 127.192 1.261 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO A 20 126.347 1.280 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 20 125.446 0.420 -4.235 1.00 0.00 H new ATOM 279 N LYS A 21 130.034 -2.408 -3.164 1.00 0.00 N ATOM 280 CA LYS A 21 131.378 -2.509 -2.554 1.00 0.00 C ATOM 281 C LYS A 21 132.272 -1.300 -2.900 1.00 0.00 C ATOM 282 O LYS A 21 132.231 -0.784 -4.021 1.00 0.00 O ATOM 283 CB LYS A 21 132.009 -3.842 -3.014 1.00 0.00 C ATOM 284 CG LYS A 21 133.393 -4.100 -2.400 1.00 0.00 C ATOM 285 CD LYS A 21 133.938 -5.479 -2.793 1.00 0.00 C ATOM 286 CE LYS A 21 135.407 -5.581 -2.364 1.00 0.00 C ATOM 287 NZ LYS A 21 135.996 -6.902 -2.707 1.00 0.00 N ATOM 0 H LYS A 21 129.822 -3.191 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 21 131.286 -2.496 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 21 131.342 -4.663 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 21 132.095 -3.840 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 21 134.087 -3.327 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 21 133.329 -4.030 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 21 133.352 -6.264 -2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 21 133.850 -5.625 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 21 135.982 -4.791 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 21 135.483 -5.418 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 137.031 -6.853 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 135.629 -7.625 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 135.740 -7.153 -3.683 1.00 0.00 H new ATOM 301 N GLY A 22 133.100 -0.870 -1.943 1.00 0.00 N ATOM 302 CA GLY A 22 134.026 0.264 -2.092 1.00 0.00 C ATOM 303 C GLY A 22 135.305 -0.037 -2.902 1.00 0.00 C ATOM 304 O GLY A 22 135.617 -1.204 -3.163 1.00 0.00 O ATOM 0 H GLY A 22 133.149 -1.308 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 22 133.495 1.086 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 22 134.316 0.609 -1.100 1.00 0.00 H new ATOM 308 N PRO A 23 136.066 1.001 -3.306 1.00 0.00 N ATOM 309 CA PRO A 23 137.281 0.862 -4.116 1.00 0.00 C ATOM 310 C PRO A 23 138.513 0.433 -3.296 1.00 0.00 C ATOM 311 O PRO A 23 138.600 0.675 -2.090 1.00 0.00 O ATOM 312 CB PRO A 23 137.487 2.246 -4.741 1.00 0.00 C ATOM 313 CG PRO A 23 136.936 3.193 -3.676 1.00 0.00 C ATOM 314 CD PRO A 23 135.755 2.411 -3.100 1.00 0.00 C ATOM 0 HA PRO A 23 137.165 0.072 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 23 138.539 2.442 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 23 136.951 2.346 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 23 137.681 3.420 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 23 136.620 4.144 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 23 135.622 2.630 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 23 134.826 2.683 -3.601 1.00 0.00 H new ATOM 322 N LYS A 24 139.500 -0.176 -3.965 1.00 0.00 N ATOM 323 CA LYS A 24 140.787 -0.607 -3.382 1.00 0.00 C ATOM 324 C LYS A 24 141.556 0.556 -2.722 1.00 0.00 C ATOM 325 O LYS A 24 141.560 1.679 -3.234 1.00 0.00 O ATOM 326 CB LYS A 24 141.607 -1.270 -4.508 1.00 0.00 C ATOM 327 CG LYS A 24 142.954 -1.838 -4.037 1.00 0.00 C ATOM 328 CD LYS A 24 143.660 -2.574 -5.183 1.00 0.00 C ATOM 329 CE LYS A 24 145.086 -2.949 -4.767 1.00 0.00 C ATOM 330 NZ LYS A 24 145.802 -3.663 -5.856 1.00 0.00 N ATOM 0 H LYS A 24 139.427 -0.392 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 24 140.604 -1.319 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 24 141.018 -2.074 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 24 141.787 -0.537 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 24 143.588 -1.030 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 24 142.795 -2.521 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 24 143.102 -3.472 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 24 143.686 -1.942 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 24 145.637 -2.047 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 24 145.053 -3.579 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 146.828 -3.547 -5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 145.561 -4.674 -5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 145.518 -3.268 -6.775 1.00 0.00 H new ATOM 344 N GLY A 25 142.227 0.276 -1.600 1.00 0.00 N ATOM 345 CA GLY A 25 143.033 1.252 -0.852 1.00 0.00 C ATOM 346 C GLY A 25 144.368 1.644 -1.521 1.00 0.00 C ATOM 347 O GLY A 25 144.827 0.957 -2.440 1.00 0.00 O ATOM 0 H GLY A 25 142.226 -0.652 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 25 142.439 2.154 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 25 143.245 0.844 0.136 1.00 0.00 H new ATOM 351 N PRO A 26 145.013 2.738 -1.069 1.00 0.00 N ATOM 352 CA PRO A 26 146.268 3.242 -1.642 1.00 0.00 C ATOM 353 C PRO A 26 147.498 2.408 -1.237 1.00 0.00 C ATOM 354 O PRO A 26 147.499 1.719 -0.213 1.00 0.00 O ATOM 355 CB PRO A 26 146.382 4.681 -1.124 1.00 0.00 C ATOM 356 CG PRO A 26 145.685 4.614 0.232 1.00 0.00 C ATOM 357 CD PRO A 26 144.539 3.637 -0.024 1.00 0.00 C ATOM 0 HA PRO A 26 146.248 3.183 -2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 26 147.422 4.994 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 26 145.895 5.391 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 26 146.355 4.256 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 26 145.320 5.591 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 26 144.285 3.086 0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 26 143.638 4.164 -0.340 1.00 0.00 H new ATOM 365 N LYS A 27 148.578 2.506 -2.025 1.00 0.00 N ATOM 366 CA LYS A 27 149.875 1.861 -1.745 1.00 0.00 C ATOM 367 C LYS A 27 150.449 2.304 -0.388 1.00 0.00 C ATOM 368 O LYS A 27 150.331 3.473 -0.008 1.00 0.00 O ATOM 369 CB LYS A 27 150.848 2.173 -2.898 1.00 0.00 C ATOM 370 CG LYS A 27 152.115 1.296 -2.876 1.00 0.00 C ATOM 371 CD LYS A 27 153.061 1.601 -4.047 1.00 0.00 C ATOM 372 CE LYS A 27 153.800 2.935 -3.859 1.00 0.00 C ATOM 373 NZ LYS A 27 154.623 3.278 -5.053 1.00 0.00 N ATOM 0 H LYS A 27 148.578 3.045 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 27 149.729 0.783 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 150.333 2.032 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 27 151.139 3.222 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 27 152.644 1.451 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 27 151.827 0.245 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 27 153.788 0.795 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 27 152.491 1.630 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 27 153.077 3.729 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 27 154.441 2.876 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 155.108 4.184 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 155.329 2.531 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.007 3.358 -5.887 1.00 0.00 H new ATOM 387 N GLY A 28 151.083 1.377 0.331 1.00 0.00 N ATOM 388 CA GLY A 28 151.712 1.639 1.631 1.00 0.00 C ATOM 389 C GLY A 28 152.943 2.565 1.576 1.00 0.00 C ATOM 390 O GLY A 28 153.502 2.791 0.496 1.00 0.00 O ATOM 0 H GLY A 28 151.177 0.409 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 28 150.970 2.082 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 28 152.009 0.688 2.074 1.00 0.00 H new ATOM 394 N PRO A 29 153.384 3.104 2.732 1.00 0.00 N ATOM 395 CA PRO A 29 154.527 4.018 2.818 1.00 0.00 C ATOM 396 C PRO A 29 155.863 3.325 2.503 1.00 0.00 C ATOM 397 O PRO A 29 155.999 2.107 2.627 1.00 0.00 O ATOM 398 CB PRO A 29 154.480 4.599 4.237 1.00 0.00 C ATOM 399 CG PRO A 29 153.768 3.518 5.045 1.00 0.00 C ATOM 400 CD PRO A 29 152.781 2.919 4.046 1.00 0.00 C ATOM 0 HA PRO A 29 154.461 4.806 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 29 155.480 4.795 4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 29 153.937 5.544 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 29 154.467 2.769 5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 29 153.257 3.936 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 29 152.609 1.863 4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 29 151.813 3.417 4.106 1.00 0.00 H new ATOM 508 N GLY B 39 90.993 4.637 1.092 1.00 0.00 N ATOM 509 CA GLY B 39 92.043 5.139 1.993 1.00 0.00 C ATOM 510 C GLY B 39 93.343 5.569 1.288 1.00 0.00 C ATOM 511 O GLY B 39 93.544 5.314 0.098 1.00 0.00 O ATOM 0 HA2 GLY B 39 91.649 5.989 2.550 1.00 0.00 H new ATOM 0 HA3 GLY B 39 92.280 4.363 2.721 1.00 0.00 H new ATOM 515 N ASP B 40 94.235 6.238 2.028 1.00 0.00 N ATOM 516 CA ASP B 40 95.507 6.783 1.526 1.00 0.00 C ATOM 517 C ASP B 40 96.647 5.740 1.393 1.00 0.00 C ATOM 518 O ASP B 40 96.655 4.739 2.119 1.00 0.00 O ATOM 519 CB ASP B 40 95.962 7.902 2.476 1.00 0.00 C ATOM 520 CG ASP B 40 95.205 9.210 2.214 1.00 0.00 C ATOM 521 OD1 ASP B 40 95.541 9.914 1.232 1.00 0.00 O ATOM 522 OD2 ASP B 40 94.274 9.541 2.986 1.00 0.00 O ATOM 0 H ASP B 40 94.090 6.422 3.021 1.00 0.00 H new ATOM 0 HA ASP B 40 95.314 7.147 0.517 1.00 0.00 H new ATOM 0 HB2 ASP B 40 95.803 7.590 3.508 1.00 0.00 H new ATOM 0 HB3 ASP B 40 97.032 8.070 2.355 1.00 0.00 H new ATOM 542 N GLY B 42 100.357 3.942 1.968 1.00 0.00 N ATOM 543 CA GLY B 42 101.313 3.768 3.071 1.00 0.00 C ATOM 544 C GLY B 42 102.623 4.560 2.905 1.00 0.00 C ATOM 545 O GLY B 42 102.952 5.037 1.816 1.00 0.00 O ATOM 0 HA2 GLY B 42 100.834 4.071 4.002 1.00 0.00 H new ATOM 0 HA3 GLY B 42 101.552 2.709 3.165 1.00 0.00 H new ATOM 549 N ASP B 43 103.384 4.700 3.995 1.00 0.00 N ATOM 550 CA ASP B 43 104.680 5.393 4.021 1.00 0.00 C ATOM 551 C ASP B 43 105.813 4.609 3.310 1.00 0.00 C ATOM 552 O ASP B 43 105.799 3.374 3.320 1.00 0.00 O ATOM 553 CB ASP B 43 105.064 5.640 5.487 1.00 0.00 C ATOM 554 CG ASP B 43 104.275 6.811 6.087 1.00 0.00 C ATOM 555 OD1 ASP B 43 104.679 7.980 5.879 1.00 0.00 O ATOM 556 OD2 ASP B 43 103.244 6.574 6.761 1.00 0.00 O ATOM 0 H ASP B 43 103.112 4.327 4.905 1.00 0.00 H new ATOM 0 HA ASP B 43 104.566 6.328 3.473 1.00 0.00 H new ATOM 0 HB2 ASP B 43 104.877 4.738 6.070 1.00 0.00 H new ATOM 0 HB3 ASP B 43 106.132 5.847 5.554 1.00 0.00 H new ATOM 576 N GLY B 45 109.447 2.700 2.684 1.00 0.00 N ATOM 577 CA GLY B 45 110.363 1.878 3.482 1.00 0.00 C ATOM 578 C GLY B 45 111.671 2.586 3.872 1.00 0.00 C ATOM 579 O GLY B 45 112.017 3.645 3.342 1.00 0.00 O ATOM 0 HA2 GLY B 45 109.850 1.561 4.390 1.00 0.00 H new ATOM 0 HA3 GLY B 45 110.605 0.975 2.921 1.00 0.00 H new ATOM 583 N ASP B 46 112.413 1.990 4.810 1.00 0.00 N ATOM 584 CA ASP B 46 113.709 2.491 5.282 1.00 0.00 C ATOM 585 C ASP B 46 114.844 2.254 4.258 1.00 0.00 C ATOM 586 O ASP B 46 114.775 1.291 3.488 1.00 0.00 O ATOM 587 CB ASP B 46 114.038 1.790 6.605 1.00 0.00 C ATOM 588 CG ASP B 46 113.201 2.350 7.763 1.00 0.00 C ATOM 589 OD1 ASP B 46 113.605 3.378 8.359 1.00 0.00 O ATOM 590 OD2 ASP B 46 112.134 1.768 8.075 1.00 0.00 O ATOM 0 H ASP B 46 112.124 1.128 5.272 1.00 0.00 H new ATOM 0 HA ASP B 46 113.635 3.570 5.419 1.00 0.00 H new ATOM 0 HB2 ASP B 46 113.854 0.720 6.506 1.00 0.00 H new ATOM 0 HB3 ASP B 46 115.098 1.912 6.829 1.00 0.00 H new ATOM 610 N GLY B 48 118.323 1.009 2.401 1.00 0.00 N ATOM 611 CA GLY B 48 119.223 -0.147 2.424 1.00 0.00 C ATOM 612 C GLY B 48 120.529 0.118 3.184 1.00 0.00 C ATOM 613 O GLY B 48 120.906 1.266 3.435 1.00 0.00 O ATOM 0 HA2 GLY B 48 118.708 -0.991 2.883 1.00 0.00 H new ATOM 0 HA3 GLY B 48 119.459 -0.436 1.400 1.00 0.00 H new ATOM 617 N ASP B 49 121.224 -0.954 3.565 1.00 0.00 N ATOM 618 CA ASP B 49 122.458 -0.881 4.345 1.00 0.00 C ATOM 619 C ASP B 49 123.690 -0.522 3.479 1.00 0.00 C ATOM 620 O ASP B 49 123.693 -0.799 2.272 1.00 0.00 O ATOM 621 CB ASP B 49 122.643 -2.237 5.037 1.00 0.00 C ATOM 622 CG ASP B 49 121.576 -2.528 6.110 1.00 0.00 C ATOM 623 OD1 ASP B 49 121.019 -1.579 6.717 1.00 0.00 O ATOM 624 OD2 ASP B 49 121.276 -3.722 6.347 1.00 0.00 O ATOM 0 H ASP B 49 120.942 -1.908 3.338 1.00 0.00 H new ATOM 0 HA ASP B 49 122.376 -0.079 5.078 1.00 0.00 H new ATOM 0 HB2 ASP B 49 122.617 -3.026 4.286 1.00 0.00 H new ATOM 0 HB3 ASP B 49 123.630 -2.269 5.499 1.00 0.00 H new ATOM 644 N GLY B 51 127.297 -0.601 1.526 1.00 0.00 N ATOM 645 CA GLY B 51 128.160 -1.594 0.879 1.00 0.00 C ATOM 646 C GLY B 51 129.400 -1.964 1.707 1.00 0.00 C ATOM 647 O GLY B 51 129.775 -1.265 2.652 1.00 0.00 O ATOM 0 HA2 GLY B 51 127.580 -2.496 0.686 1.00 0.00 H new ATOM 0 HA3 GLY B 51 128.481 -1.208 -0.089 1.00 0.00 H new ATOM 651 N ASP B 52 130.051 -3.074 1.352 1.00 0.00 N ATOM 652 CA ASP B 52 131.262 -3.552 2.026 1.00 0.00 C ATOM 653 C ASP B 52 132.500 -2.666 1.748 1.00 0.00 C ATOM 654 O ASP B 52 132.633 -2.132 0.640 1.00 0.00 O ATOM 655 CB ASP B 52 131.536 -4.994 1.585 1.00 0.00 C ATOM 656 CG ASP B 52 130.650 -5.985 2.351 1.00 0.00 C ATOM 657 OD1 ASP B 52 131.006 -6.352 3.496 1.00 0.00 O ATOM 658 OD2 ASP B 52 129.587 -6.390 1.823 1.00 0.00 O ATOM 0 H ASP B 52 129.751 -3.672 0.582 1.00 0.00 H new ATOM 0 HA ASP B 52 131.085 -3.503 3.100 1.00 0.00 H new ATOM 0 HB2 ASP B 52 131.354 -5.091 0.515 1.00 0.00 H new ATOM 0 HB3 ASP B 52 132.586 -5.235 1.753 1.00 0.00 H new ATOM 678 N GLY B 54 136.276 -1.630 0.591 1.00 0.00 N ATOM 679 CA GLY B 54 137.202 -2.079 -0.455 1.00 0.00 C ATOM 680 C GLY B 54 138.387 -2.907 0.070 1.00 0.00 C ATOM 681 O GLY B 54 138.650 -2.966 1.274 1.00 0.00 O ATOM 0 HA2 GLY B 54 136.650 -2.674 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY B 54 137.587 -1.207 -0.983 1.00 0.00 H new ATOM 685 N ASP B 55 139.119 -3.553 -0.842 1.00 0.00 N ATOM 686 CA ASP B 55 140.297 -4.363 -0.514 1.00 0.00 C ATOM 687 C ASP B 55 141.518 -3.519 -0.076 1.00 0.00 C ATOM 688 O ASP B 55 141.673 -2.379 -0.533 1.00 0.00 O ATOM 689 CB ASP B 55 140.657 -5.227 -1.730 1.00 0.00 C ATOM 690 CG ASP B 55 139.760 -6.470 -1.816 1.00 0.00 C ATOM 691 OD1 ASP B 55 140.083 -7.490 -1.162 1.00 0.00 O ATOM 692 OD2 ASP B 55 138.725 -6.433 -2.525 1.00 0.00 O ATOM 0 H ASP B 55 138.909 -3.528 -1.840 1.00 0.00 H new ATOM 0 HA ASP B 55 140.040 -4.987 0.342 1.00 0.00 H new ATOM 0 HB2 ASP B 55 140.554 -4.638 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP B 55 141.701 -5.533 -1.665 1.00 0.00 H new ATOM 712 N GLY B 57 145.306 -1.923 0.070 1.00 0.00 N ATOM 713 CA GLY B 57 146.343 -1.534 -0.894 1.00 0.00 C ATOM 714 C GLY B 57 147.578 -2.453 -0.890 1.00 0.00 C ATOM 715 O GLY B 57 147.749 -3.297 -0.007 1.00 0.00 O ATOM 0 HA2 GLY B 57 145.911 -1.528 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY B 57 146.661 -0.514 -0.678 1.00 0.00 H new ATOM 719 N ASP B 58 148.460 -2.282 -1.880 1.00 0.00 N ATOM 720 CA ASP B 58 149.717 -3.033 -2.002 1.00 0.00 C ATOM 721 C ASP B 58 150.862 -2.462 -1.128 1.00 0.00 C ATOM 722 O ASP B 58 150.822 -1.283 -0.758 1.00 0.00 O ATOM 723 CB ASP B 58 150.119 -3.065 -3.483 1.00 0.00 C ATOM 724 CG ASP B 58 149.336 -4.139 -4.251 1.00 0.00 C ATOM 725 OD1 ASP B 58 149.607 -5.346 -4.043 1.00 0.00 O ATOM 726 OD2 ASP B 58 148.451 -3.784 -5.065 1.00 0.00 O ATOM 0 H ASP B 58 148.320 -1.607 -2.632 1.00 0.00 H new ATOM 0 HA ASP B 58 149.546 -4.043 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP B 58 149.937 -2.089 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP B 58 151.188 -3.261 -3.568 1.00 0.00 H new ATOM 898 N GLY C 74 102.964 1.361 0.679 1.00 0.00 N ATOM 899 CA GLY C 74 104.104 2.263 0.497 1.00 0.00 C ATOM 900 C GLY C 74 105.235 1.636 -0.342 1.00 0.00 C ATOM 901 O GLY C 74 105.365 0.406 -0.375 1.00 0.00 O ATOM 0 HA2 GLY C 74 103.763 3.178 0.013 1.00 0.00 H new ATOM 0 HA3 GLY C 74 104.497 2.546 1.474 1.00 0.00 H new ATOM 905 N PRO C 75 106.064 2.449 -1.025 1.00 0.00 N ATOM 906 CA PRO C 75 107.120 1.957 -1.914 1.00 0.00 C ATOM 907 C PRO C 75 108.358 1.428 -1.155 1.00 0.00 C ATOM 908 O PRO C 75 108.568 1.787 0.011 1.00 0.00 O ATOM 909 CB PRO C 75 107.485 3.162 -2.789 1.00 0.00 C ATOM 910 CG PRO C 75 107.206 4.355 -1.878 1.00 0.00 C ATOM 911 CD PRO C 75 105.974 3.901 -1.096 1.00 0.00 C ATOM 0 HA PRO C 75 106.771 1.102 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO C 75 108.529 3.130 -3.102 1.00 0.00 H new ATOM 0 HB3 PRO C 75 106.881 3.198 -3.696 1.00 0.00 H new ATOM 0 HG2 PRO C 75 108.048 4.567 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO C 75 107.011 5.263 -2.449 1.00 0.00 H new ATOM 0 HD2 PRO C 75 105.959 4.341 -0.099 1.00 0.00 H new ATOM 0 HD3 PRO C 75 105.057 4.212 -1.596 1.00 0.00 H new ATOM 934 N GLY C 77 112.183 1.351 0.183 1.00 0.00 N ATOM 935 CA GLY C 77 113.166 2.370 0.571 1.00 0.00 C ATOM 936 C GLY C 77 114.300 2.547 -0.459 1.00 0.00 C ATOM 937 O GLY C 77 114.507 1.664 -1.301 1.00 0.00 O ATOM 0 HA2 GLY C 77 112.656 3.324 0.707 1.00 0.00 H new ATOM 0 HA3 GLY C 77 113.598 2.100 1.534 1.00 0.00 H new ATOM 941 N PRO C 78 115.049 3.668 -0.417 1.00 0.00 N ATOM 942 CA PRO C 78 116.158 3.905 -1.341 1.00 0.00 C ATOM 943 C PRO C 78 117.320 2.895 -1.184 1.00 0.00 C ATOM 944 O PRO C 78 117.533 2.377 -0.080 1.00 0.00 O ATOM 945 CB PRO C 78 116.619 5.350 -1.117 1.00 0.00 C ATOM 946 CG PRO C 78 115.788 5.901 0.043 1.00 0.00 C ATOM 947 CD PRO C 78 114.915 4.752 0.545 1.00 0.00 C ATOM 0 HA PRO C 78 115.816 3.756 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO C 78 117.683 5.385 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO C 78 116.472 5.947 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO C 78 116.434 6.272 0.839 1.00 0.00 H new ATOM 0 HG3 PRO C 78 115.173 6.739 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO C 78 115.233 4.430 1.537 1.00 0.00 H new ATOM 0 HD3 PRO C 78 113.875 5.066 0.630 1.00 0.00 H new ATOM 970 N GLY C 80 121.094 1.485 -0.466 1.00 0.00 N ATOM 971 CA GLY C 80 122.162 1.845 0.473 1.00 0.00 C ATOM 972 C GLY C 80 123.368 2.537 -0.194 1.00 0.00 C ATOM 973 O GLY C 80 123.557 2.413 -1.411 1.00 0.00 O ATOM 0 HA2 GLY C 80 121.753 2.505 1.238 1.00 0.00 H new ATOM 0 HA3 GLY C 80 122.507 0.944 0.980 1.00 0.00 H new ATOM 977 N PRO C 81 124.201 3.260 0.579 1.00 0.00 N ATOM 978 CA PRO C 81 125.355 3.992 0.051 1.00 0.00 C ATOM 979 C PRO C 81 126.536 3.063 -0.309 1.00 0.00 C ATOM 980 O PRO C 81 126.637 1.958 0.241 1.00 0.00 O ATOM 981 CB PRO C 81 125.740 4.973 1.166 1.00 0.00 C ATOM 982 CG PRO C 81 125.320 4.240 2.438 1.00 0.00 C ATOM 983 CD PRO C 81 124.054 3.500 2.009 1.00 0.00 C ATOM 0 HA PRO C 81 125.106 4.496 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO C 81 126.808 5.189 1.160 1.00 0.00 H new ATOM 0 HB3 PRO C 81 125.221 5.926 1.061 1.00 0.00 H new ATOM 0 HG2 PRO C 81 126.093 3.552 2.781 1.00 0.00 H new ATOM 0 HG3 PRO C 81 125.124 4.933 3.257 1.00 0.00 H new ATOM 0 HD2 PRO C 81 123.945 2.562 2.554 1.00 0.00 H new ATOM 0 HD3 PRO C 81 123.164 4.094 2.217 1.00 0.00 H new ATOM 1006 N GLY C 83 130.202 1.350 -0.092 1.00 0.00 N ATOM 1007 CA GLY C 83 131.193 1.060 0.947 1.00 0.00 C ATOM 1008 C GLY C 83 132.422 1.984 0.868 1.00 0.00 C ATOM 1009 O GLY C 83 132.692 2.563 -0.192 1.00 0.00 O ATOM 0 HA2 GLY C 83 130.727 1.164 1.927 1.00 0.00 H new ATOM 0 HA3 GLY C 83 131.516 0.023 0.856 1.00 0.00 H new ATOM 1013 N PRO C 84 133.183 2.140 1.967 1.00 0.00 N ATOM 1014 CA PRO C 84 134.335 3.040 2.012 1.00 0.00 C ATOM 1015 C PRO C 84 135.545 2.492 1.225 1.00 0.00 C ATOM 1016 O PRO C 84 135.642 1.276 1.005 1.00 0.00 O ATOM 1017 CB PRO C 84 134.658 3.193 3.504 1.00 0.00 C ATOM 1018 CG PRO C 84 134.195 1.867 4.103 1.00 0.00 C ATOM 1019 CD PRO C 84 132.960 1.525 3.269 1.00 0.00 C ATOM 0 HA PRO C 84 134.108 3.995 1.538 1.00 0.00 H new ATOM 0 HB2 PRO C 84 135.722 3.359 3.670 1.00 0.00 H new ATOM 0 HB3 PRO C 84 134.131 4.039 3.945 1.00 0.00 H new ATOM 0 HG2 PRO C 84 134.963 1.097 4.022 1.00 0.00 H new ATOM 0 HG3 PRO C 84 133.953 1.965 5.161 1.00 0.00 H new ATOM 0 HD2 PRO C 84 132.836 0.446 3.177 1.00 0.00 H new ATOM 0 HD3 PRO C 84 132.053 1.911 3.735 1.00 0.00 H new ATOM 1042 N GLY C 86 139.185 0.925 0.723 1.00 0.00 N ATOM 1043 CA GLY C 86 139.951 -0.052 1.501 1.00 0.00 C ATOM 1044 C GLY C 86 141.113 0.571 2.297 1.00 0.00 C ATOM 1045 O GLY C 86 141.537 1.694 1.991 1.00 0.00 O ATOM 0 HA2 GLY C 86 139.279 -0.561 2.192 1.00 0.00 H new ATOM 0 HA3 GLY C 86 140.349 -0.810 0.826 1.00 0.00 H new ATOM 1049 N PRO C 87 141.650 -0.131 3.315 1.00 0.00 N ATOM 1050 CA PRO C 87 142.784 0.367 4.089 1.00 0.00 C ATOM 1051 C PRO C 87 144.063 0.542 3.239 1.00 0.00 C ATOM 1052 O PRO C 87 144.275 -0.223 2.289 1.00 0.00 O ATOM 1053 CB PRO C 87 142.988 -0.611 5.252 1.00 0.00 C ATOM 1054 CG PRO C 87 141.977 -1.742 5.053 1.00 0.00 C ATOM 1055 CD PRO C 87 141.279 -1.478 3.721 1.00 0.00 C ATOM 0 HA PRO C 87 142.571 1.369 4.461 1.00 0.00 H new ATOM 0 HB2 PRO C 87 144.007 -0.998 5.259 1.00 0.00 H new ATOM 0 HB3 PRO C 87 142.830 -0.114 6.209 1.00 0.00 H new ATOM 0 HG2 PRO C 87 142.477 -2.710 5.042 1.00 0.00 H new ATOM 0 HG3 PRO C 87 141.256 -1.764 5.870 1.00 0.00 H new ATOM 0 HD2 PRO C 87 141.587 -2.207 2.971 1.00 0.00 H new ATOM 0 HD3 PRO C 87 140.198 -1.567 3.826 1.00 0.00 H new ATOM 1078 N GLY C 89 147.917 -0.015 2.094 1.00 0.00 N ATOM 1079 CA GLY C 89 148.837 -1.156 2.143 1.00 0.00 C ATOM 1080 C GLY C 89 149.883 -1.053 3.269 1.00 0.00 C ATOM 1081 O GLY C 89 150.083 0.029 3.836 1.00 0.00 O ATOM 0 HA2 GLY C 89 148.261 -2.072 2.276 1.00 0.00 H new ATOM 0 HA3 GLY C 89 149.352 -1.239 1.186 1.00 0.00 H new ATOM 1085 N PRO C 90 150.571 -2.160 3.607 1.00 0.00 N ATOM 1086 CA PRO C 90 151.565 -2.174 4.680 1.00 0.00 C ATOM 1087 C PRO C 90 152.844 -1.392 4.298 1.00 0.00 C ATOM 1088 O PRO C 90 153.150 -1.256 3.106 1.00 0.00 O ATOM 1089 CB PRO C 90 151.854 -3.656 4.939 1.00 0.00 C ATOM 1090 CG PRO C 90 151.581 -4.309 3.587 1.00 0.00 C ATOM 1091 CD PRO C 90 150.425 -3.485 3.022 1.00 0.00 C ATOM 0 HA PRO C 90 151.194 -1.675 5.575 1.00 0.00 H new ATOM 0 HB2 PRO C 90 152.883 -3.815 5.262 1.00 0.00 H new ATOM 0 HB3 PRO C 90 151.209 -4.061 5.719 1.00 0.00 H new ATOM 0 HG2 PRO C 90 152.456 -4.271 2.938 1.00 0.00 H new ATOM 0 HG3 PRO C 90 151.310 -5.359 3.695 1.00 0.00 H new ATOM 0 HD2 PRO C 90 150.469 -3.441 1.934 1.00 0.00 H new ATOM 0 HD3 PRO C 90 149.463 -3.926 3.284 1.00 0.00 H new