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+ 176:sc= 1.25 (180deg=1.12) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.11) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= 1.3 (180deg=1.22) USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.07) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.18) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.16) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.15) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 83.276 4.318 4.147 1.00 0.00 N ATOM 65 CA LYS A 6 84.538 4.555 3.413 1.00 0.00 C ATOM 66 C LYS A 6 85.528 3.383 3.569 1.00 0.00 C ATOM 67 O LYS A 6 85.670 2.821 4.659 1.00 0.00 O ATOM 68 CB LYS A 6 85.153 5.890 3.900 1.00 0.00 C ATOM 69 CG LYS A 6 86.518 6.195 3.260 1.00 0.00 C ATOM 70 CD LYS A 6 86.992 7.623 3.568 1.00 0.00 C ATOM 71 CE LYS A 6 88.392 7.907 2.998 1.00 0.00 C ATOM 72 NZ LYS A 6 89.468 7.190 3.737 1.00 0.00 N ATOM 0 HA LYS A 6 84.321 4.623 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 6 84.463 6.704 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.266 5.857 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 6 87.257 5.481 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 6 86.450 6.060 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 6 86.281 8.337 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 6 87.003 7.775 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.419 7.613 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.584 8.979 3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.382 7.362 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 89.507 7.537 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.267 6.170 3.739 1.00 0.00 H new ATOM 86 N GLY A 7 86.241 3.042 2.491 1.00 0.00 N ATOM 87 CA GLY A 7 87.244 1.969 2.474 1.00 0.00 C ATOM 88 C GLY A 7 88.532 2.302 3.256 1.00 0.00 C ATOM 89 O GLY A 7 88.894 3.479 3.372 1.00 0.00 O ATOM 0 H GLY A 7 86.137 3.510 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 7 86.801 1.065 2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 7 87.506 1.747 1.440 1.00 0.00 H new ATOM 93 N PRO A 8 89.246 1.293 3.793 1.00 0.00 N ATOM 94 CA PRO A 8 90.440 1.498 4.621 1.00 0.00 C ATOM 95 C PRO A 8 91.707 1.854 3.822 1.00 0.00 C ATOM 96 O PRO A 8 91.863 1.502 2.648 1.00 0.00 O ATOM 97 CB PRO A 8 90.625 0.181 5.385 1.00 0.00 C ATOM 98 CG PRO A 8 90.032 -0.859 4.440 1.00 0.00 C ATOM 99 CD PRO A 8 88.854 -0.111 3.820 1.00 0.00 C ATOM 0 HA PRO A 8 90.295 2.357 5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 8 91.676 -0.018 5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 8 90.106 0.196 6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 8 90.751 -1.179 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 8 89.709 -1.754 4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 8 88.643 -0.478 2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 8 87.947 -0.253 4.408 1.00 0.00 H new ATOM 107 N LYS A 9 92.645 2.526 4.501 1.00 0.00 N ATOM 108 CA LYS A 9 94.004 2.845 4.021 1.00 0.00 C ATOM 109 C LYS A 9 94.838 1.579 3.749 1.00 0.00 C ATOM 110 O LYS A 9 94.755 0.605 4.502 1.00 0.00 O ATOM 111 CB LYS A 9 94.657 3.765 5.078 1.00 0.00 C ATOM 112 CG LYS A 9 96.096 4.180 4.742 1.00 0.00 C ATOM 113 CD LYS A 9 96.583 5.273 5.706 1.00 0.00 C ATOM 114 CE LYS A 9 98.092 5.524 5.577 1.00 0.00 C ATOM 115 NZ LYS A 9 98.891 4.488 6.288 1.00 0.00 N ATOM 0 H LYS A 9 92.474 2.880 5.442 1.00 0.00 H new ATOM 0 HA LYS A 9 93.954 3.357 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 9 94.048 4.662 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 9 94.653 3.255 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 9 96.754 3.313 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 9 96.145 4.544 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 9 96.043 6.199 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 9 96.350 4.983 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 9 98.369 5.536 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 98.332 6.508 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 99.902 4.635 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 98.722 4.561 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 98.608 3.544 5.957 1.00 0.00 H new ATOM 129 N GLY A 10 95.653 1.602 2.688 1.00 0.00 N ATOM 130 CA GLY A 10 96.499 0.472 2.280 1.00 0.00 C ATOM 131 C GLY A 10 97.759 0.263 3.145 1.00 0.00 C ATOM 132 O GLY A 10 98.157 1.163 3.894 1.00 0.00 O ATOM 0 H GLY A 10 95.745 2.416 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 10 95.902 -0.439 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 10 96.806 0.621 1.245 1.00 0.00 H new ATOM 136 N PRO A 11 98.408 -0.915 3.047 1.00 0.00 N ATOM 137 CA PRO A 11 99.599 -1.262 3.830 1.00 0.00 C ATOM 138 C PRO A 11 100.884 -0.580 3.329 1.00 0.00 C ATOM 139 O PRO A 11 100.993 -0.163 2.171 1.00 0.00 O ATOM 140 CB PRO A 11 99.715 -2.787 3.715 1.00 0.00 C ATOM 141 CG PRO A 11 99.132 -3.066 2.333 1.00 0.00 C ATOM 142 CD PRO A 11 97.983 -2.062 2.254 1.00 0.00 C ATOM 0 HA PRO A 11 99.490 -0.916 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 11 100.750 -3.121 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 11 99.156 -3.296 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 11 99.866 -2.907 1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 11 98.781 -4.094 2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 11 97.786 -1.773 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 11 97.061 -2.490 2.647 1.00 0.00 H new ATOM 150 N LYS A 12 101.891 -0.515 4.209 1.00 0.00 N ATOM 151 CA LYS A 12 103.251 -0.042 3.901 1.00 0.00 C ATOM 152 C LYS A 12 103.930 -0.908 2.823 1.00 0.00 C ATOM 153 O LYS A 12 103.792 -2.134 2.823 1.00 0.00 O ATOM 154 CB LYS A 12 104.054 -0.021 5.217 1.00 0.00 C ATOM 155 CG LYS A 12 105.486 0.510 5.056 1.00 0.00 C ATOM 156 CD LYS A 12 106.171 0.639 6.421 1.00 0.00 C ATOM 157 CE LYS A 12 107.621 1.098 6.237 1.00 0.00 C ATOM 158 NZ LYS A 12 108.347 1.140 7.533 1.00 0.00 N ATOM 0 H LYS A 12 101.781 -0.797 5.183 1.00 0.00 H new ATOM 0 HA LYS A 12 103.207 0.963 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 12 103.527 0.596 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 12 104.094 -1.031 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 12 106.059 -0.162 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 12 105.466 1.480 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 12 105.631 1.353 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.147 -0.318 6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 12 108.134 0.422 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 12 107.635 2.087 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.372 1.152 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 108.076 1.997 8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 108.102 0.300 8.095 1.00 0.00 H new ATOM 172 N GLY A 13 104.683 -0.272 1.922 1.00 0.00 N ATOM 173 CA GLY A 13 105.435 -0.941 0.852 1.00 0.00 C ATOM 174 C GLY A 13 106.689 -1.701 1.331 1.00 0.00 C ATOM 175 O GLY A 13 107.144 -1.502 2.462 1.00 0.00 O ATOM 0 H GLY A 13 104.791 0.742 1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 13 104.773 -1.642 0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 13 105.736 -0.196 0.116 1.00 0.00 H new ATOM 179 N PRO A 14 107.264 -2.581 0.488 1.00 0.00 N ATOM 180 CA PRO A 14 108.383 -3.450 0.868 1.00 0.00 C ATOM 181 C PRO A 14 109.733 -2.713 0.954 1.00 0.00 C ATOM 182 O PRO A 14 109.993 -1.748 0.228 1.00 0.00 O ATOM 183 CB PRO A 14 108.410 -4.547 -0.203 1.00 0.00 C ATOM 184 CG PRO A 14 107.849 -3.846 -1.438 1.00 0.00 C ATOM 185 CD PRO A 14 106.791 -2.915 -0.849 1.00 0.00 C ATOM 0 HA PRO A 14 108.237 -3.846 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 14 109.421 -4.917 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 14 107.801 -5.405 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 14 108.620 -3.293 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 14 107.416 -4.555 -2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 14 106.674 -2.019 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 14 105.817 -3.403 -0.810 1.00 0.00 H new ATOM 193 N LYS A 15 110.622 -3.213 1.822 1.00 0.00 N ATOM 194 CA LYS A 15 112.013 -2.748 1.983 1.00 0.00 C ATOM 195 C LYS A 15 112.804 -2.864 0.667 1.00 0.00 C ATOM 196 O LYS A 15 112.677 -3.859 -0.053 1.00 0.00 O ATOM 197 CB LYS A 15 112.657 -3.571 3.116 1.00 0.00 C ATOM 198 CG LYS A 15 114.070 -3.100 3.488 1.00 0.00 C ATOM 199 CD LYS A 15 114.645 -3.945 4.634 1.00 0.00 C ATOM 200 CE LYS A 15 116.110 -3.561 4.874 1.00 0.00 C ATOM 201 NZ LYS A 15 116.754 -4.432 5.893 1.00 0.00 N ATOM 0 H LYS A 15 110.388 -3.978 2.455 1.00 0.00 H new ATOM 0 HA LYS A 15 112.026 -1.690 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 15 112.021 -3.518 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 15 112.699 -4.618 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 15 114.722 -3.169 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 15 114.042 -2.051 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 15 114.064 -3.787 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 15 114.572 -5.005 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 15 116.661 -3.631 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 15 116.164 -2.522 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 117.786 -4.407 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 116.512 -4.090 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 116.415 -5.409 5.779 1.00 0.00 H new ATOM 215 N GLY A 16 113.629 -1.859 0.361 1.00 0.00 N ATOM 216 CA GLY A 16 114.449 -1.818 -0.859 1.00 0.00 C ATOM 217 C GLY A 16 115.625 -2.819 -0.879 1.00 0.00 C ATOM 218 O GLY A 16 116.018 -3.331 0.175 1.00 0.00 O ATOM 0 H GLY A 16 113.750 -1.041 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 16 113.808 -2.014 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 114.845 -0.810 -0.981 1.00 0.00 H new ATOM 222 N PRO A 17 116.206 -3.107 -2.061 1.00 0.00 N ATOM 223 CA PRO A 17 117.319 -4.051 -2.211 1.00 0.00 C ATOM 224 C PRO A 17 118.665 -3.466 -1.746 1.00 0.00 C ATOM 225 O PRO A 17 118.890 -2.254 -1.797 1.00 0.00 O ATOM 226 CB PRO A 17 117.347 -4.391 -3.706 1.00 0.00 C ATOM 227 CG PRO A 17 116.813 -3.122 -4.369 1.00 0.00 C ATOM 228 CD PRO A 17 115.784 -2.608 -3.364 1.00 0.00 C ATOM 0 HA PRO A 17 117.172 -4.931 -1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 17 118.356 -4.627 -4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 17 116.723 -5.256 -3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 17 117.606 -2.394 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 17 116.359 -3.334 -5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 17 115.744 -1.519 -3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 17 114.785 -2.965 -3.613 1.00 0.00 H new ATOM 236 N LYS A 18 119.588 -4.338 -1.319 1.00 0.00 N ATOM 237 CA LYS A 18 120.952 -3.975 -0.886 1.00 0.00 C ATOM 238 C LYS A 18 121.739 -3.233 -1.989 1.00 0.00 C ATOM 239 O LYS A 18 121.606 -3.550 -3.174 1.00 0.00 O ATOM 240 CB LYS A 18 121.676 -5.260 -0.436 1.00 0.00 C ATOM 241 CG LYS A 18 123.011 -4.975 0.275 1.00 0.00 C ATOM 242 CD LYS A 18 123.873 -6.222 0.524 1.00 0.00 C ATOM 243 CE LYS A 18 124.375 -6.828 -0.796 1.00 0.00 C ATOM 244 NZ LYS A 18 125.395 -7.887 -0.569 1.00 0.00 N ATOM 0 H LYS A 18 119.407 -5.340 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 18 120.888 -3.277 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.026 -5.822 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.860 -5.891 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 18 123.583 -4.265 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.805 -4.493 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 18 124.724 -5.959 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.292 -6.965 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 18 123.533 -7.247 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.801 -6.041 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.571 -8.396 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 126.280 -7.452 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.048 -8.555 0.149 1.00 0.00 H new ATOM 258 N GLY A 19 122.576 -2.266 -1.597 1.00 0.00 N ATOM 259 CA GLY A 19 123.436 -1.491 -2.509 1.00 0.00 C ATOM 260 C GLY A 19 124.643 -2.256 -3.102 1.00 0.00 C ATOM 261 O GLY A 19 124.935 -3.380 -2.681 1.00 0.00 O ATOM 0 H GLY A 19 122.679 -1.992 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 19 122.823 -1.122 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 19 123.810 -0.618 -1.973 1.00 0.00 H new ATOM 265 N PRO A 20 125.361 -1.657 -4.077 1.00 0.00 N ATOM 266 CA PRO A 20 126.508 -2.271 -4.763 1.00 0.00 C ATOM 267 C PRO A 20 127.816 -2.223 -3.948 1.00 0.00 C ATOM 268 O PRO A 20 128.078 -1.264 -3.218 1.00 0.00 O ATOM 269 CB PRO A 20 126.656 -1.470 -6.063 1.00 0.00 C ATOM 270 CG PRO A 20 126.158 -0.076 -5.679 1.00 0.00 C ATOM 271 CD PRO A 20 125.026 -0.381 -4.699 1.00 0.00 C ATOM 0 HA PRO A 20 126.327 -3.334 -4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 20 127.691 -1.447 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 20 126.063 -1.900 -6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 20 126.944 0.521 -5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 20 125.803 0.480 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 20 124.937 0.406 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 20 124.068 -0.439 -5.216 1.00 0.00 H new ATOM 279 N LYS A 21 128.667 -3.247 -4.104 1.00 0.00 N ATOM 280 CA LYS A 21 130.000 -3.369 -3.473 1.00 0.00 C ATOM 281 C LYS A 21 130.961 -2.231 -3.871 1.00 0.00 C ATOM 282 O LYS A 21 130.921 -1.736 -5.001 1.00 0.00 O ATOM 283 CB LYS A 21 130.562 -4.763 -3.842 1.00 0.00 C ATOM 284 CG LYS A 21 131.964 -5.053 -3.283 1.00 0.00 C ATOM 285 CD LYS A 21 132.344 -6.526 -3.500 1.00 0.00 C ATOM 286 CE LYS A 21 133.796 -6.822 -3.096 1.00 0.00 C ATOM 287 NZ LYS A 21 134.774 -6.239 -4.056 1.00 0.00 N ATOM 0 H LYS A 21 128.442 -4.047 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 21 129.900 -3.275 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 21 129.874 -5.526 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 21 130.592 -4.853 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 21 132.695 -4.408 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 21 131.992 -4.819 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 21 131.672 -7.161 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 21 132.202 -6.784 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 21 133.984 -6.421 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 21 133.943 -7.900 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 135.714 -6.652 -3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 134.472 -6.448 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 134.820 -5.209 -3.922 1.00 0.00 H new ATOM 301 N GLY A 22 131.843 -1.839 -2.944 1.00 0.00 N ATOM 302 CA GLY A 22 132.798 -0.733 -3.123 1.00 0.00 C ATOM 303 C GLY A 22 134.075 -1.081 -3.918 1.00 0.00 C ATOM 304 O GLY A 22 134.393 -2.263 -4.096 1.00 0.00 O ATOM 0 H GLY A 22 131.916 -2.288 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 22 132.288 0.086 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 22 133.092 -0.367 -2.139 1.00 0.00 H new ATOM 308 N PRO A 23 134.825 -0.064 -4.393 1.00 0.00 N ATOM 309 CA PRO A 23 136.050 -0.239 -5.182 1.00 0.00 C ATOM 310 C PRO A 23 137.283 -0.585 -4.325 1.00 0.00 C ATOM 311 O PRO A 23 137.336 -0.315 -3.122 1.00 0.00 O ATOM 312 CB PRO A 23 136.238 1.098 -5.909 1.00 0.00 C ATOM 313 CG PRO A 23 135.657 2.113 -4.927 1.00 0.00 C ATOM 314 CD PRO A 23 134.492 1.354 -4.293 1.00 0.00 C ATOM 0 HA PRO A 23 135.953 -1.083 -5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 23 137.289 1.298 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 23 135.712 1.115 -6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 23 136.392 2.419 -4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 23 135.321 3.017 -5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 23 134.356 1.649 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 23 133.558 1.572 -4.811 1.00 0.00 H new ATOM 322 N LYS A 24 138.306 -1.164 -4.964 1.00 0.00 N ATOM 323 CA LYS A 24 139.597 -1.533 -4.351 1.00 0.00 C ATOM 324 C LYS A 24 140.355 -0.316 -3.783 1.00 0.00 C ATOM 325 O LYS A 24 140.318 0.774 -4.359 1.00 0.00 O ATOM 326 CB LYS A 24 140.419 -2.274 -5.423 1.00 0.00 C ATOM 327 CG LYS A 24 141.765 -2.811 -4.916 1.00 0.00 C ATOM 328 CD LYS A 24 142.486 -3.575 -6.032 1.00 0.00 C ATOM 329 CE LYS A 24 143.920 -3.905 -5.608 1.00 0.00 C ATOM 330 NZ LYS A 24 144.658 -4.585 -6.703 1.00 0.00 N ATOM 0 H LYS A 24 138.261 -1.398 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 24 139.423 -2.179 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 24 139.829 -3.106 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 24 140.600 -1.598 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 24 142.387 -1.985 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 24 141.604 -3.468 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 24 141.946 -4.494 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 24 142.497 -2.977 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 24 144.440 -2.989 -5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 24 143.904 -4.544 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 145.641 -4.752 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 144.202 -5.495 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 144.649 -3.985 -7.553 1.00 0.00 H new ATOM 344 N GLY A 25 141.070 -0.517 -2.672 1.00 0.00 N ATOM 345 CA GLY A 25 141.913 0.504 -2.032 1.00 0.00 C ATOM 346 C GLY A 25 143.236 0.802 -2.767 1.00 0.00 C ATOM 347 O GLY A 25 143.661 0.020 -3.623 1.00 0.00 O ATOM 0 H GLY A 25 141.081 -1.411 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 25 141.342 1.429 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 25 142.142 0.182 -1.016 1.00 0.00 H new ATOM 351 N PRO A 26 143.911 1.924 -2.449 1.00 0.00 N ATOM 352 CA PRO A 26 145.143 2.345 -3.124 1.00 0.00 C ATOM 353 C PRO A 26 146.381 1.535 -2.694 1.00 0.00 C ATOM 354 O PRO A 26 146.440 0.978 -1.593 1.00 0.00 O ATOM 355 CB PRO A 26 145.294 3.830 -2.772 1.00 0.00 C ATOM 356 CG PRO A 26 144.650 3.925 -1.391 1.00 0.00 C ATOM 357 CD PRO A 26 143.487 2.938 -1.491 1.00 0.00 C ATOM 0 HA PRO A 26 145.074 2.173 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 26 146.340 4.135 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 26 144.790 4.469 -3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 26 145.347 3.650 -0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 26 144.305 4.936 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 26 143.267 2.492 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 26 142.578 3.437 -1.826 1.00 0.00 H new ATOM 365 N LYS A 27 147.402 1.507 -3.562 1.00 0.00 N ATOM 366 CA LYS A 27 148.709 0.868 -3.311 1.00 0.00 C ATOM 367 C LYS A 27 149.367 1.408 -2.028 1.00 0.00 C ATOM 368 O LYS A 27 149.341 2.616 -1.771 1.00 0.00 O ATOM 369 CB LYS A 27 149.606 1.092 -4.547 1.00 0.00 C ATOM 370 CG LYS A 27 150.965 0.382 -4.439 1.00 0.00 C ATOM 371 CD LYS A 27 151.802 0.584 -5.710 1.00 0.00 C ATOM 372 CE LYS A 27 153.235 0.093 -5.471 1.00 0.00 C ATOM 373 NZ LYS A 27 154.094 0.284 -6.669 1.00 0.00 N ATOM 0 H LYS A 27 147.344 1.939 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 27 148.567 -0.201 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 27 149.086 0.736 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 27 149.770 2.161 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 27 151.511 0.765 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 27 150.809 -0.683 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 27 151.355 0.039 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 27 151.810 1.638 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 27 153.666 0.630 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 27 153.217 -0.963 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 155.054 -0.060 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 153.697 -0.248 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.133 1.295 -6.911 1.00 0.00 H new ATOM 387 N GLY A 28 149.970 0.519 -1.234 1.00 0.00 N ATOM 388 CA GLY A 28 150.652 0.874 0.015 1.00 0.00 C ATOM 389 C GLY A 28 151.941 1.699 -0.173 1.00 0.00 C ATOM 390 O GLY A 28 152.527 1.694 -1.261 1.00 0.00 O ATOM 0 H GLY A 28 149.999 -0.479 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 28 149.963 1.438 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 28 150.897 -0.042 0.553 1.00 0.00 H new ATOM 394 N PRO A 29 152.412 2.393 0.881 1.00 0.00 N ATOM 395 CA PRO A 29 153.668 3.147 0.860 1.00 0.00 C ATOM 396 C PRO A 29 154.892 2.215 0.874 1.00 0.00 C ATOM 397 O PRO A 29 154.803 1.055 1.273 1.00 0.00 O ATOM 398 CB PRO A 29 153.606 4.035 2.111 1.00 0.00 C ATOM 399 CG PRO A 29 152.783 3.202 3.092 1.00 0.00 C ATOM 400 CD PRO A 29 151.775 2.495 2.189 1.00 0.00 C ATOM 0 HA PRO A 29 153.779 3.736 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 29 154.601 4.250 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 29 153.132 4.994 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 29 153.404 2.491 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 29 152.289 3.827 3.835 1.00 0.00 H new ATOM 0 HD2 PRO A 29 151.525 1.509 2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 29 150.844 3.058 2.127 1.00 0.00 H new ATOM 508 N GLY B 39 89.366 3.828 -0.336 1.00 0.00 N ATOM 509 CA GLY B 39 90.454 4.023 0.628 1.00 0.00 C ATOM 510 C GLY B 39 91.729 4.649 0.043 1.00 0.00 C ATOM 511 O GLY B 39 91.971 4.632 -1.165 1.00 0.00 O ATOM 0 HA2 GLY B 39 90.093 4.657 1.438 1.00 0.00 H new ATOM 0 HA3 GLY B 39 90.708 3.058 1.067 1.00 0.00 H new ATOM 515 N ASP B 40 92.544 5.221 0.930 1.00 0.00 N ATOM 516 CA ASP B 40 93.783 5.943 0.620 1.00 0.00 C ATOM 517 C ASP B 40 95.025 5.035 0.401 1.00 0.00 C ATOM 518 O ASP B 40 95.123 3.968 1.018 1.00 0.00 O ATOM 519 CB ASP B 40 94.050 6.899 1.790 1.00 0.00 C ATOM 520 CG ASP B 40 92.946 7.961 1.922 1.00 0.00 C ATOM 521 OD1 ASP B 40 93.019 8.998 1.219 1.00 0.00 O ATOM 522 OD2 ASP B 40 92.001 7.751 2.723 1.00 0.00 O ATOM 0 H ASP B 40 92.351 5.193 1.931 1.00 0.00 H new ATOM 0 HA ASP B 40 93.636 6.459 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP B 40 94.119 6.329 2.717 1.00 0.00 H new ATOM 0 HB3 ASP B 40 95.012 7.391 1.646 1.00 0.00 H new ATOM 542 N GLY B 42 98.912 3.496 0.774 1.00 0.00 N ATOM 543 CA GLY B 42 99.800 3.180 1.905 1.00 0.00 C ATOM 544 C GLY B 42 101.164 3.896 1.892 1.00 0.00 C ATOM 545 O GLY B 42 101.542 4.550 0.918 1.00 0.00 O ATOM 0 HA2 GLY B 42 99.285 3.433 2.832 1.00 0.00 H new ATOM 0 HA3 GLY B 42 99.973 2.104 1.920 1.00 0.00 H new ATOM 549 N ASP B 43 101.906 3.777 2.999 1.00 0.00 N ATOM 550 CA ASP B 43 103.216 4.409 3.216 1.00 0.00 C ATOM 551 C ASP B 43 104.354 3.772 2.378 1.00 0.00 C ATOM 552 O ASP B 43 104.317 2.568 2.112 1.00 0.00 O ATOM 553 CB ASP B 43 103.547 4.308 4.713 1.00 0.00 C ATOM 554 CG ASP B 43 102.699 5.271 5.555 1.00 0.00 C ATOM 555 OD1 ASP B 43 103.108 6.444 5.729 1.00 0.00 O ATOM 556 OD2 ASP B 43 101.620 4.852 6.041 1.00 0.00 O ATOM 0 H ASP B 43 101.602 3.219 3.797 1.00 0.00 H new ATOM 0 HA ASP B 43 103.149 5.446 2.888 1.00 0.00 H new ATOM 0 HB2 ASP B 43 103.380 3.286 5.053 1.00 0.00 H new ATOM 0 HB3 ASP B 43 104.604 4.527 4.866 1.00 0.00 H new ATOM 576 N GLY B 45 107.993 2.016 1.386 1.00 0.00 N ATOM 577 CA GLY B 45 108.993 1.160 2.039 1.00 0.00 C ATOM 578 C GLY B 45 110.292 1.898 2.398 1.00 0.00 C ATOM 579 O GLY B 45 110.616 2.946 1.832 1.00 0.00 O ATOM 0 HA2 GLY B 45 108.561 0.738 2.947 1.00 0.00 H new ATOM 0 HA3 GLY B 45 109.230 0.324 1.381 1.00 0.00 H new ATOM 583 N ASP B 46 111.054 1.335 3.338 1.00 0.00 N ATOM 584 CA ASP B 46 112.355 1.859 3.765 1.00 0.00 C ATOM 585 C ASP B 46 113.495 1.511 2.778 1.00 0.00 C ATOM 586 O ASP B 46 113.421 0.483 2.093 1.00 0.00 O ATOM 587 CB ASP B 46 112.674 1.317 5.164 1.00 0.00 C ATOM 588 CG ASP B 46 111.945 2.104 6.260 1.00 0.00 C ATOM 589 OD1 ASP B 46 112.330 3.269 6.523 1.00 0.00 O ATOM 590 OD2 ASP B 46 110.995 1.564 6.873 1.00 0.00 O ATOM 0 H ASP B 46 110.780 0.487 3.833 1.00 0.00 H new ATOM 0 HA ASP B 46 112.288 2.947 3.785 1.00 0.00 H new ATOM 0 HB2 ASP B 46 112.389 0.266 5.220 1.00 0.00 H new ATOM 0 HB3 ASP B 46 113.749 1.365 5.336 1.00 0.00 H new ATOM 610 N GLY B 48 117.140 0.138 1.210 1.00 0.00 N ATOM 611 CA GLY B 48 117.972 -1.055 1.410 1.00 0.00 C ATOM 612 C GLY B 48 119.226 -0.820 2.267 1.00 0.00 C ATOM 613 O GLY B 48 119.661 0.315 2.479 1.00 0.00 O ATOM 0 HA2 GLY B 48 117.367 -1.830 1.879 1.00 0.00 H new ATOM 0 HA3 GLY B 48 118.279 -1.436 0.436 1.00 0.00 H new ATOM 617 N ASP B 49 119.830 -1.911 2.744 1.00 0.00 N ATOM 618 CA ASP B 49 121.118 -1.898 3.450 1.00 0.00 C ATOM 619 C ASP B 49 122.299 -1.542 2.513 1.00 0.00 C ATOM 620 O ASP B 49 122.207 -1.753 1.297 1.00 0.00 O ATOM 621 CB ASP B 49 121.332 -3.273 4.103 1.00 0.00 C ATOM 622 CG ASP B 49 120.548 -3.401 5.419 1.00 0.00 C ATOM 623 OD1 ASP B 49 121.011 -2.854 6.449 1.00 0.00 O ATOM 624 OD2 ASP B 49 119.471 -4.045 5.434 1.00 0.00 O ATOM 0 H ASP B 49 119.433 -2.846 2.650 1.00 0.00 H new ATOM 0 HA ASP B 49 121.089 -1.120 4.213 1.00 0.00 H new ATOM 0 HB2 ASP B 49 121.018 -4.057 3.414 1.00 0.00 H new ATOM 0 HB3 ASP B 49 122.394 -3.424 4.295 1.00 0.00 H new ATOM 644 N GLY B 51 125.903 -1.556 0.402 1.00 0.00 N ATOM 645 CA GLY B 51 126.803 -2.525 -0.226 1.00 0.00 C ATOM 646 C GLY B 51 128.025 -2.894 0.624 1.00 0.00 C ATOM 647 O GLY B 51 128.394 -2.198 1.573 1.00 0.00 O ATOM 0 HA2 GLY B 51 126.242 -3.433 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY B 51 127.146 -2.121 -1.178 1.00 0.00 H new ATOM 651 N ASP B 52 128.658 -4.013 0.274 1.00 0.00 N ATOM 652 CA ASP B 52 129.824 -4.552 0.972 1.00 0.00 C ATOM 653 C ASP B 52 131.104 -3.704 0.762 1.00 0.00 C ATOM 654 O ASP B 52 131.283 -3.119 -0.315 1.00 0.00 O ATOM 655 CB ASP B 52 130.034 -5.993 0.489 1.00 0.00 C ATOM 656 CG ASP B 52 128.941 -6.930 1.026 1.00 0.00 C ATOM 657 OD1 ASP B 52 129.126 -7.504 2.127 1.00 0.00 O ATOM 658 OD2 ASP B 52 127.894 -7.092 0.352 1.00 0.00 O ATOM 0 H ASP B 52 128.368 -4.583 -0.521 1.00 0.00 H new ATOM 0 HA ASP B 52 129.633 -4.525 2.045 1.00 0.00 H new ATOM 0 HB2 ASP B 52 130.032 -6.017 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP B 52 131.012 -6.348 0.814 1.00 0.00 H new ATOM 678 N GLY B 54 134.944 -2.552 -0.166 1.00 0.00 N ATOM 679 CA GLY B 54 135.912 -2.887 -1.215 1.00 0.00 C ATOM 680 C GLY B 54 137.137 -3.674 -0.722 1.00 0.00 C ATOM 681 O GLY B 54 137.418 -3.752 0.476 1.00 0.00 O ATOM 0 HA2 GLY B 54 135.407 -3.470 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY B 54 136.253 -1.965 -1.685 1.00 0.00 H new ATOM 685 N ASP B 55 137.879 -4.262 -1.664 1.00 0.00 N ATOM 686 CA ASP B 55 139.080 -5.060 -1.396 1.00 0.00 C ATOM 687 C ASP B 55 140.280 -4.193 -0.945 1.00 0.00 C ATOM 688 O ASP B 55 140.467 -3.093 -1.477 1.00 0.00 O ATOM 689 CB ASP B 55 139.444 -5.825 -2.673 1.00 0.00 C ATOM 690 CG ASP B 55 138.491 -7.001 -2.920 1.00 0.00 C ATOM 691 OD1 ASP B 55 137.438 -6.799 -3.573 1.00 0.00 O ATOM 692 OD2 ASP B 55 138.787 -8.129 -2.456 1.00 0.00 O ATOM 0 H ASP B 55 137.657 -4.195 -2.657 1.00 0.00 H new ATOM 0 HA ASP B 55 138.861 -5.744 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP B 55 139.413 -5.146 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP B 55 140.467 -6.195 -2.597 1.00 0.00 H new ATOM 712 N GLY B 57 144.018 -2.575 -0.815 1.00 0.00 N ATOM 713 CA GLY B 57 145.094 -2.283 -1.766 1.00 0.00 C ATOM 714 C GLY B 57 146.287 -3.241 -1.638 1.00 0.00 C ATOM 715 O GLY B 57 146.466 -3.912 -0.618 1.00 0.00 O ATOM 0 HA2 GLY B 57 144.699 -2.338 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY B 57 145.439 -1.260 -1.613 1.00 0.00 H new ATOM 719 N ASP B 58 147.122 -3.300 -2.677 1.00 0.00 N ATOM 720 CA ASP B 58 148.324 -4.134 -2.694 1.00 0.00 C ATOM 721 C ASP B 58 149.494 -3.519 -1.891 1.00 0.00 C ATOM 722 O ASP B 58 149.586 -2.290 -1.787 1.00 0.00 O ATOM 723 CB ASP B 58 148.740 -4.377 -4.149 1.00 0.00 C ATOM 724 CG ASP B 58 147.905 -5.485 -4.805 1.00 0.00 C ATOM 725 OD1 ASP B 58 147.976 -6.651 -4.348 1.00 0.00 O ATOM 726 OD2 ASP B 58 147.185 -5.196 -5.790 1.00 0.00 O ATOM 0 H ASP B 58 146.982 -2.767 -3.535 1.00 0.00 H new ATOM 0 HA ASP B 58 148.083 -5.078 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP B 58 148.629 -3.454 -4.718 1.00 0.00 H new ATOM 0 HB3 ASP B 58 149.795 -4.648 -4.185 1.00 0.00 H new ATOM 898 N GLY C 74 101.583 0.929 -0.542 1.00 0.00 N ATOM 899 CA GLY C 74 102.655 1.885 -0.846 1.00 0.00 C ATOM 900 C GLY C 74 103.776 1.289 -1.723 1.00 0.00 C ATOM 901 O GLY C 74 103.881 0.062 -1.845 1.00 0.00 O ATOM 0 HA2 GLY C 74 102.228 2.750 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY C 74 103.087 2.245 0.088 1.00 0.00 H new ATOM 905 N PRO C 75 104.626 2.132 -2.342 1.00 0.00 N ATOM 906 CA PRO C 75 105.686 1.686 -3.251 1.00 0.00 C ATOM 907 C PRO C 75 106.893 1.053 -2.522 1.00 0.00 C ATOM 908 O PRO C 75 107.119 1.343 -1.340 1.00 0.00 O ATOM 909 CB PRO C 75 106.109 2.951 -4.009 1.00 0.00 C ATOM 910 CG PRO C 75 105.829 4.072 -3.010 1.00 0.00 C ATOM 911 CD PRO C 75 104.562 3.587 -2.308 1.00 0.00 C ATOM 0 HA PRO C 75 105.320 0.896 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO C 75 107.161 2.918 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO C 75 105.537 3.079 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO C 75 106.654 4.206 -2.310 1.00 0.00 H new ATOM 0 HG3 PRO C 75 105.675 5.029 -3.508 1.00 0.00 H new ATOM 0 HD2 PRO C 75 104.518 3.953 -1.282 1.00 0.00 H new ATOM 0 HD3 PRO C 75 103.669 3.952 -2.815 1.00 0.00 H new ATOM 934 N GLY C 77 110.813 0.648 -1.287 1.00 0.00 N ATOM 935 CA GLY C 77 111.941 1.529 -0.959 1.00 0.00 C ATOM 936 C GLY C 77 113.051 1.508 -2.031 1.00 0.00 C ATOM 937 O GLY C 77 113.123 0.563 -2.826 1.00 0.00 O ATOM 0 HA2 GLY C 77 111.576 2.549 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY C 77 112.363 1.229 -0.000 1.00 0.00 H new ATOM 941 N PRO C 78 113.931 2.527 -2.068 1.00 0.00 N ATOM 942 CA PRO C 78 115.015 2.618 -3.050 1.00 0.00 C ATOM 943 C PRO C 78 116.172 1.637 -2.756 1.00 0.00 C ATOM 944 O PRO C 78 116.319 1.177 -1.615 1.00 0.00 O ATOM 945 CB PRO C 78 115.491 4.075 -2.973 1.00 0.00 C ATOM 946 CG PRO C 78 115.214 4.456 -1.521 1.00 0.00 C ATOM 947 CD PRO C 78 113.921 3.705 -1.210 1.00 0.00 C ATOM 0 HA PRO C 78 114.666 2.342 -4.045 1.00 0.00 H new ATOM 0 HB2 PRO C 78 116.549 4.166 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO C 78 114.946 4.714 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO C 78 116.027 4.151 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO C 78 115.094 5.533 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO C 78 113.876 3.423 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO C 78 113.049 4.328 -1.410 1.00 0.00 H new ATOM 970 N GLY C 80 119.869 0.457 -1.649 1.00 0.00 N ATOM 971 CA GLY C 80 120.764 0.904 -0.579 1.00 0.00 C ATOM 972 C GLY C 80 122.000 1.686 -1.069 1.00 0.00 C ATOM 973 O GLY C 80 122.330 1.642 -2.262 1.00 0.00 O ATOM 0 HA2 GLY C 80 120.201 1.533 0.110 1.00 0.00 H new ATOM 0 HA3 GLY C 80 121.100 0.034 -0.015 1.00 0.00 H new ATOM 977 N PRO C 81 122.708 2.393 -0.166 1.00 0.00 N ATOM 978 CA PRO C 81 123.946 3.101 -0.497 1.00 0.00 C ATOM 979 C PRO C 81 125.102 2.203 -0.991 1.00 0.00 C ATOM 980 O PRO C 81 125.199 1.048 -0.565 1.00 0.00 O ATOM 981 CB PRO C 81 124.323 3.927 0.742 1.00 0.00 C ATOM 982 CG PRO C 81 123.293 3.594 1.826 1.00 0.00 C ATOM 983 CD PRO C 81 122.382 2.515 1.249 1.00 0.00 C ATOM 0 HA PRO C 81 123.766 3.740 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO C 81 125.331 3.682 1.078 1.00 0.00 H new ATOM 0 HB3 PRO C 81 124.313 4.993 0.514 1.00 0.00 H new ATOM 0 HG2 PRO C 81 123.785 3.241 2.732 1.00 0.00 H new ATOM 0 HG3 PRO C 81 122.719 4.479 2.099 1.00 0.00 H new ATOM 0 HD2 PRO C 81 122.535 1.566 1.763 1.00 0.00 H new ATOM 0 HD3 PRO C 81 121.334 2.784 1.381 1.00 0.00 H new ATOM 1006 N GLY C 83 128.805 0.473 -1.075 1.00 0.00 N ATOM 1007 CA GLY C 83 129.834 0.094 -0.105 1.00 0.00 C ATOM 1008 C GLY C 83 131.075 1.003 -0.178 1.00 0.00 C ATOM 1009 O GLY C 83 131.356 1.571 -1.241 1.00 0.00 O ATOM 0 HA2 GLY C 83 129.415 0.137 0.900 1.00 0.00 H new ATOM 0 HA3 GLY C 83 130.133 -0.939 -0.282 1.00 0.00 H new ATOM 1013 N PRO C 84 131.829 1.163 0.926 1.00 0.00 N ATOM 1014 CA PRO C 84 132.976 2.070 0.977 1.00 0.00 C ATOM 1015 C PRO C 84 134.197 1.525 0.206 1.00 0.00 C ATOM 1016 O PRO C 84 134.326 0.304 0.049 1.00 0.00 O ATOM 1017 CB PRO C 84 133.285 2.231 2.470 1.00 0.00 C ATOM 1018 CG PRO C 84 132.817 0.908 3.076 1.00 0.00 C ATOM 1019 CD PRO C 84 131.591 0.562 2.232 1.00 0.00 C ATOM 0 HA PRO C 84 132.747 3.021 0.496 1.00 0.00 H new ATOM 0 HB2 PRO C 84 134.348 2.398 2.644 1.00 0.00 H new ATOM 0 HB3 PRO C 84 132.754 3.080 2.901 1.00 0.00 H new ATOM 0 HG2 PRO C 84 133.585 0.138 3.007 1.00 0.00 H new ATOM 0 HG3 PRO C 84 132.565 1.014 4.131 1.00 0.00 H new ATOM 0 HD2 PRO C 84 131.465 -0.517 2.149 1.00 0.00 H new ATOM 0 HD3 PRO C 84 130.681 0.956 2.684 1.00 0.00 H new ATOM 1042 N GLY C 86 137.952 0.086 -0.288 1.00 0.00 N ATOM 1043 CA GLY C 86 138.855 -0.739 0.523 1.00 0.00 C ATOM 1044 C GLY C 86 140.020 0.061 1.141 1.00 0.00 C ATOM 1045 O GLY C 86 140.326 1.166 0.677 1.00 0.00 O ATOM 0 HA2 GLY C 86 138.284 -1.213 1.322 1.00 0.00 H new ATOM 0 HA3 GLY C 86 139.261 -1.539 -0.097 1.00 0.00 H new ATOM 1049 N PRO C 87 140.690 -0.473 2.180 1.00 0.00 N ATOM 1050 CA PRO C 87 141.787 0.217 2.860 1.00 0.00 C ATOM 1051 C PRO C 87 143.063 0.307 1.997 1.00 0.00 C ATOM 1052 O PRO C 87 143.286 -0.560 1.143 1.00 0.00 O ATOM 1053 CB PRO C 87 142.037 -0.589 4.141 1.00 0.00 C ATOM 1054 CG PRO C 87 141.557 -1.995 3.787 1.00 0.00 C ATOM 1055 CD PRO C 87 140.388 -1.737 2.838 1.00 0.00 C ATOM 0 HA PRO C 87 141.522 1.253 3.069 1.00 0.00 H new ATOM 0 HB2 PRO C 87 143.091 -0.584 4.417 1.00 0.00 H new ATOM 0 HB3 PRO C 87 141.484 -0.179 4.986 1.00 0.00 H new ATOM 0 HG2 PRO C 87 142.342 -2.580 3.308 1.00 0.00 H new ATOM 0 HG3 PRO C 87 141.242 -2.548 4.672 1.00 0.00 H new ATOM 0 HD2 PRO C 87 140.288 -2.543 2.111 1.00 0.00 H new ATOM 0 HD3 PRO C 87 139.446 -1.680 3.383 1.00 0.00 H new ATOM 1078 N GLY C 89 146.919 -0.404 1.011 1.00 0.00 N ATOM 1079 CA GLY C 89 147.828 -1.538 1.221 1.00 0.00 C ATOM 1080 C GLY C 89 148.866 -1.287 2.333 1.00 0.00 C ATOM 1081 O GLY C 89 149.139 -0.127 2.672 1.00 0.00 O ATOM 0 HA2 GLY C 89 147.243 -2.423 1.472 1.00 0.00 H new ATOM 0 HA3 GLY C 89 148.349 -1.755 0.289 1.00 0.00 H new ATOM 1085 N PRO C 90 149.471 -2.346 2.904 1.00 0.00 N ATOM 1086 CA PRO C 90 150.470 -2.209 3.966 1.00 0.00 C ATOM 1087 C PRO C 90 151.802 -1.624 3.442 1.00 0.00 C ATOM 1088 O PRO C 90 152.099 -1.746 2.244 1.00 0.00 O ATOM 1089 CB PRO C 90 150.655 -3.623 4.530 1.00 0.00 C ATOM 1090 CG PRO C 90 150.325 -4.520 3.341 1.00 0.00 C ATOM 1091 CD PRO C 90 149.224 -3.751 2.613 1.00 0.00 C ATOM 0 HA PRO C 90 150.140 -1.508 4.732 1.00 0.00 H new ATOM 0 HB2 PRO C 90 151.673 -3.784 4.886 1.00 0.00 H new ATOM 0 HB3 PRO C 90 149.989 -3.810 5.373 1.00 0.00 H new ATOM 0 HG2 PRO C 90 151.195 -4.678 2.703 1.00 0.00 H new ATOM 0 HG3 PRO C 90 149.983 -5.504 3.662 1.00 0.00 H new ATOM 0 HD2 PRO C 90 149.257 -3.941 1.540 1.00 0.00 H new ATOM 0 HD3 PRO C 90 148.237 -4.056 2.961 1.00 0.00 H new