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+ 165:sc= 1.27 (180deg=1.05) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 1.18 (180deg=0.834) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.06) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.871) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.2) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.05) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 83.988 4.064 3.195 1.00 0.00 N ATOM 65 CA LYS A 6 85.182 3.944 2.340 1.00 0.00 C ATOM 66 C LYS A 6 86.245 3.041 2.997 1.00 0.00 C ATOM 67 O LYS A 6 86.430 3.079 4.218 1.00 0.00 O ATOM 68 CB LYS A 6 85.729 5.361 2.047 1.00 0.00 C ATOM 69 CG LYS A 6 86.967 5.352 1.135 1.00 0.00 C ATOM 70 CD LYS A 6 87.493 6.761 0.833 1.00 0.00 C ATOM 71 CE LYS A 6 88.871 6.637 0.167 1.00 0.00 C ATOM 72 NZ LYS A 6 89.478 7.961 -0.129 1.00 0.00 N ATOM 0 HA LYS A 6 84.913 3.469 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 6 84.945 5.957 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.982 5.848 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 6 87.757 4.768 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 6 86.719 4.853 0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 6 86.802 7.290 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 6 87.568 7.342 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.537 6.072 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.775 6.069 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.490 7.840 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 89.004 8.384 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.365 8.586 0.694 1.00 0.00 H new ATOM 86 N GLY A 7 86.954 2.247 2.192 1.00 0.00 N ATOM 87 CA GLY A 7 88.023 1.350 2.645 1.00 0.00 C ATOM 88 C GLY A 7 89.288 2.074 3.148 1.00 0.00 C ATOM 89 O GLY A 7 89.517 3.239 2.802 1.00 0.00 O ATOM 0 H GLY A 7 86.799 2.208 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 87.637 0.719 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 88.299 0.689 1.823 1.00 0.00 H new ATOM 93 N PRO A 8 90.129 1.404 3.959 1.00 0.00 N ATOM 94 CA PRO A 8 91.319 2.006 4.565 1.00 0.00 C ATOM 95 C PRO A 8 92.498 2.159 3.589 1.00 0.00 C ATOM 96 O PRO A 8 92.624 1.434 2.596 1.00 0.00 O ATOM 97 CB PRO A 8 91.684 1.069 5.723 1.00 0.00 C ATOM 98 CG PRO A 8 91.213 -0.294 5.223 1.00 0.00 C ATOM 99 CD PRO A 8 89.931 0.053 4.469 1.00 0.00 C ATOM 0 HA PRO A 8 91.107 3.025 4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 8 92.755 1.076 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 8 91.182 1.355 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 8 91.951 -0.765 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 8 91.026 -0.985 6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 8 89.752 -0.650 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 8 89.064 0.006 5.128 1.00 0.00 H new ATOM 107 N LYS A 9 93.409 3.084 3.918 1.00 0.00 N ATOM 108 CA LYS A 9 94.707 3.265 3.245 1.00 0.00 C ATOM 109 C LYS A 9 95.549 1.974 3.301 1.00 0.00 C ATOM 110 O LYS A 9 95.586 1.298 4.333 1.00 0.00 O ATOM 111 CB LYS A 9 95.417 4.469 3.899 1.00 0.00 C ATOM 112 CG LYS A 9 96.759 4.804 3.235 1.00 0.00 C ATOM 113 CD LYS A 9 97.341 6.119 3.771 1.00 0.00 C ATOM 114 CE LYS A 9 98.759 6.326 3.224 1.00 0.00 C ATOM 115 NZ LYS A 9 99.381 7.568 3.754 1.00 0.00 N ATOM 0 H LYS A 9 93.262 3.746 4.680 1.00 0.00 H new ATOM 0 HA LYS A 9 94.562 3.473 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 9 94.765 5.341 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 9 95.583 4.257 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 9 97.466 3.993 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 9 96.623 4.878 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 9 96.704 6.954 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 9 97.362 6.100 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 9 99.379 5.469 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 9 98.725 6.373 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 100.400 7.563 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 98.939 8.396 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 99.240 7.615 4.783 1.00 0.00 H new ATOM 129 N GLY A 10 96.214 1.630 2.193 1.00 0.00 N ATOM 130 CA GLY A 10 96.995 0.395 2.041 1.00 0.00 C ATOM 131 C GLY A 10 98.275 0.321 2.897 1.00 0.00 C ATOM 132 O GLY A 10 98.706 1.331 3.466 1.00 0.00 O ATOM 0 H GLY A 10 96.225 2.215 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 10 96.358 -0.453 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 10 97.271 0.285 0.992 1.00 0.00 H new ATOM 136 N PRO A 11 98.905 -0.867 2.991 1.00 0.00 N ATOM 137 CA PRO A 11 100.086 -1.092 3.829 1.00 0.00 C ATOM 138 C PRO A 11 101.359 -0.434 3.270 1.00 0.00 C ATOM 139 O PRO A 11 101.535 -0.292 2.055 1.00 0.00 O ATOM 140 CB PRO A 11 100.232 -2.616 3.914 1.00 0.00 C ATOM 141 CG PRO A 11 99.618 -3.104 2.603 1.00 0.00 C ATOM 142 CD PRO A 11 98.477 -2.115 2.372 1.00 0.00 C ATOM 0 HA PRO A 11 99.956 -0.633 4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 11 101.276 -2.915 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 11 99.708 -3.022 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 11 100.340 -3.085 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 11 99.255 -4.128 2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 11 98.287 -1.979 1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 11 97.550 -2.476 2.818 1.00 0.00 H new ATOM 150 N LYS A 12 102.275 -0.068 4.176 1.00 0.00 N ATOM 151 CA LYS A 12 103.607 0.486 3.872 1.00 0.00 C ATOM 152 C LYS A 12 104.432 -0.464 2.981 1.00 0.00 C ATOM 153 O LYS A 12 104.400 -1.684 3.170 1.00 0.00 O ATOM 154 CB LYS A 12 104.300 0.791 5.218 1.00 0.00 C ATOM 155 CG LYS A 12 105.695 1.421 5.080 1.00 0.00 C ATOM 156 CD LYS A 12 106.160 1.973 6.438 1.00 0.00 C ATOM 157 CE LYS A 12 107.635 2.400 6.424 1.00 0.00 C ATOM 158 NZ LYS A 12 108.549 1.254 6.686 1.00 0.00 N ATOM 0 H LYS A 12 102.106 -0.151 5.178 1.00 0.00 H new ATOM 0 HA LYS A 12 103.514 1.405 3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 12 103.666 1.463 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 12 104.386 -0.134 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 12 106.405 0.677 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 12 105.670 2.223 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 12 105.540 2.827 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.012 1.213 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 12 107.875 2.842 5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 12 107.796 3.172 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.531 1.544 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 108.456 0.956 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 108.299 0.461 6.061 1.00 0.00 H new ATOM 172 N GLY A 13 105.162 0.094 2.012 1.00 0.00 N ATOM 173 CA GLY A 13 105.910 -0.654 0.996 1.00 0.00 C ATOM 174 C GLY A 13 107.161 -1.387 1.513 1.00 0.00 C ATOM 175 O GLY A 13 107.604 -1.151 2.644 1.00 0.00 O ATOM 0 H GLY A 13 105.252 1.105 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 13 105.242 -1.385 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 13 106.212 0.036 0.208 1.00 0.00 H new ATOM 179 N PRO A 14 107.746 -2.280 0.691 1.00 0.00 N ATOM 180 CA PRO A 14 108.889 -3.107 1.075 1.00 0.00 C ATOM 181 C PRO A 14 110.213 -2.325 1.078 1.00 0.00 C ATOM 182 O PRO A 14 110.396 -1.349 0.341 1.00 0.00 O ATOM 183 CB PRO A 14 108.913 -4.242 0.044 1.00 0.00 C ATOM 184 CG PRO A 14 108.360 -3.575 -1.213 1.00 0.00 C ATOM 185 CD PRO A 14 107.311 -2.611 -0.661 1.00 0.00 C ATOM 0 HA PRO A 14 108.785 -3.473 2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 14 109.922 -4.624 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 14 108.298 -5.085 0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 14 109.139 -3.050 -1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 14 107.920 -4.302 -1.895 1.00 0.00 H new ATOM 0 HD2 PRO A 14 107.240 -1.716 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 14 106.323 -3.072 -0.652 1.00 0.00 H new ATOM 193 N LYS A 15 111.169 -2.792 1.889 1.00 0.00 N ATOM 194 CA LYS A 15 112.541 -2.263 1.942 1.00 0.00 C ATOM 195 C LYS A 15 113.236 -2.390 0.570 1.00 0.00 C ATOM 196 O LYS A 15 113.107 -3.419 -0.100 1.00 0.00 O ATOM 197 CB LYS A 15 113.298 -3.001 3.063 1.00 0.00 C ATOM 198 CG LYS A 15 114.692 -2.417 3.324 1.00 0.00 C ATOM 199 CD LYS A 15 115.343 -3.071 4.551 1.00 0.00 C ATOM 200 CE LYS A 15 116.778 -2.554 4.716 1.00 0.00 C ATOM 201 NZ LYS A 15 117.449 -3.153 5.900 1.00 0.00 N ATOM 0 H LYS A 15 111.010 -3.562 2.539 1.00 0.00 H new ATOM 0 HA LYS A 15 112.530 -1.197 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 15 112.712 -2.956 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 15 113.394 -4.054 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 15 115.323 -2.569 2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 15 114.616 -1.341 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 15 114.761 -2.847 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 15 115.348 -4.155 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 15 117.352 -2.783 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 15 116.764 -1.469 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 118.467 -2.943 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 117.042 -2.752 6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 117.308 -4.183 5.895 1.00 0.00 H new ATOM 215 N GLY A 16 113.954 -1.345 0.150 1.00 0.00 N ATOM 216 CA GLY A 16 114.622 -1.261 -1.156 1.00 0.00 C ATOM 217 C GLY A 16 115.775 -2.265 -1.360 1.00 0.00 C ATOM 218 O GLY A 16 116.240 -2.885 -0.396 1.00 0.00 O ATOM 0 H GLY A 16 114.092 -0.512 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 16 113.880 -1.418 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 16 115.012 -0.251 -1.285 1.00 0.00 H new ATOM 222 N PRO A 17 116.259 -2.433 -2.606 1.00 0.00 N ATOM 223 CA PRO A 17 117.324 -3.382 -2.937 1.00 0.00 C ATOM 224 C PRO A 17 118.709 -2.901 -2.469 1.00 0.00 C ATOM 225 O PRO A 17 118.993 -1.701 -2.434 1.00 0.00 O ATOM 226 CB PRO A 17 117.263 -3.528 -4.461 1.00 0.00 C ATOM 227 CG PRO A 17 116.733 -2.173 -4.928 1.00 0.00 C ATOM 228 CD PRO A 17 115.773 -1.769 -3.809 1.00 0.00 C ATOM 0 HA PRO A 17 117.178 -4.334 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 17 118.245 -3.742 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 17 116.603 -4.342 -4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 17 117.537 -1.447 -5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 17 116.223 -2.249 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 17 115.758 -0.687 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 17 114.753 -2.076 -4.040 1.00 0.00 H new ATOM 236 N LYS A 18 119.592 -3.849 -2.136 1.00 0.00 N ATOM 237 CA LYS A 18 120.981 -3.603 -1.703 1.00 0.00 C ATOM 238 C LYS A 18 121.781 -2.771 -2.731 1.00 0.00 C ATOM 239 O LYS A 18 121.617 -2.944 -3.942 1.00 0.00 O ATOM 240 CB LYS A 18 121.638 -4.971 -1.433 1.00 0.00 C ATOM 241 CG LYS A 18 123.020 -4.839 -0.777 1.00 0.00 C ATOM 242 CD LYS A 18 123.807 -6.153 -0.679 1.00 0.00 C ATOM 243 CE LYS A 18 124.238 -6.637 -2.071 1.00 0.00 C ATOM 244 NZ LYS A 18 125.110 -7.840 -1.996 1.00 0.00 N ATOM 0 H LYS A 18 119.357 -4.841 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 18 120.978 -3.003 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.988 -5.562 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.735 -5.516 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 18 123.610 -4.119 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.895 -4.430 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 18 124.686 -6.009 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.193 -6.915 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 18 123.354 -6.867 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.769 -5.836 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.337 -8.165 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.989 -7.601 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.614 -8.597 -1.483 1.00 0.00 H new ATOM 258 N GLY A 19 122.663 -1.892 -2.245 1.00 0.00 N ATOM 259 CA GLY A 19 123.535 -1.038 -3.066 1.00 0.00 C ATOM 260 C GLY A 19 124.719 -1.749 -3.761 1.00 0.00 C ATOM 261 O GLY A 19 124.953 -2.941 -3.532 1.00 0.00 O ATOM 0 H GLY A 19 122.796 -1.749 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 19 122.925 -0.559 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 19 123.934 -0.245 -2.433 1.00 0.00 H new ATOM 265 N PRO A 20 125.475 -1.029 -4.617 1.00 0.00 N ATOM 266 CA PRO A 20 126.578 -1.580 -5.416 1.00 0.00 C ATOM 267 C PRO A 20 127.890 -1.741 -4.624 1.00 0.00 C ATOM 268 O PRO A 20 128.187 -0.962 -3.716 1.00 0.00 O ATOM 269 CB PRO A 20 126.757 -0.578 -6.563 1.00 0.00 C ATOM 270 CG PRO A 20 126.370 0.757 -5.928 1.00 0.00 C ATOM 271 CD PRO A 20 125.238 0.365 -4.978 1.00 0.00 C ATOM 0 HA PRO A 20 126.341 -2.589 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 20 127.783 -0.566 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 20 126.117 -0.820 -7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 20 127.207 1.209 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 20 126.040 1.479 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 20 125.234 1.001 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 20 124.267 0.483 -5.459 1.00 0.00 H new ATOM 279 N LYS A 21 128.708 -2.735 -5.000 1.00 0.00 N ATOM 280 CA LYS A 21 130.029 -3.030 -4.402 1.00 0.00 C ATOM 281 C LYS A 21 130.985 -1.820 -4.444 1.00 0.00 C ATOM 282 O LYS A 21 131.011 -1.071 -5.425 1.00 0.00 O ATOM 283 CB LYS A 21 130.621 -4.254 -5.135 1.00 0.00 C ATOM 284 CG LYS A 21 131.963 -4.722 -4.553 1.00 0.00 C ATOM 285 CD LYS A 21 132.468 -5.991 -5.252 1.00 0.00 C ATOM 286 CE LYS A 21 133.906 -6.280 -4.805 1.00 0.00 C ATOM 287 NZ LYS A 21 134.459 -7.490 -5.467 1.00 0.00 N ATOM 0 H LYS A 21 128.465 -3.379 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 21 129.900 -3.254 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 21 129.907 -5.076 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 130.756 -4.007 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 21 132.703 -3.929 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 21 131.851 -4.913 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 21 131.823 -6.835 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 21 132.430 -5.863 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 21 134.537 -5.421 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 21 133.930 -6.415 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 135.487 -7.529 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 134.017 -8.340 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 134.261 -7.449 -6.487 1.00 0.00 H new ATOM 301 N GLY A 22 131.787 -1.649 -3.387 1.00 0.00 N ATOM 302 CA GLY A 22 132.766 -0.558 -3.259 1.00 0.00 C ATOM 303 C GLY A 22 134.025 -0.707 -4.140 1.00 0.00 C ATOM 304 O GLY A 22 134.297 -1.797 -4.656 1.00 0.00 O ATOM 0 H GLY A 22 131.775 -2.275 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 22 132.275 0.382 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 22 133.076 -0.488 -2.216 1.00 0.00 H new ATOM 308 N PRO A 23 134.815 0.371 -4.315 1.00 0.00 N ATOM 309 CA PRO A 23 136.030 0.367 -5.138 1.00 0.00 C ATOM 310 C PRO A 23 137.232 -0.295 -4.436 1.00 0.00 C ATOM 311 O PRO A 23 137.338 -0.302 -3.206 1.00 0.00 O ATOM 312 CB PRO A 23 136.303 1.846 -5.433 1.00 0.00 C ATOM 313 CG PRO A 23 135.765 2.557 -4.191 1.00 0.00 C ATOM 314 CD PRO A 23 134.546 1.714 -3.814 1.00 0.00 C ATOM 0 HA PRO A 23 135.887 -0.224 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 23 137.366 2.038 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 23 135.794 2.176 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 23 136.502 2.582 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 23 135.491 3.590 -4.404 1.00 0.00 H new ATOM 0 HD2 PRO A 23 134.397 1.705 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 23 133.638 2.121 -4.258 1.00 0.00 H new ATOM 322 N LYS A 24 138.170 -0.826 -5.232 1.00 0.00 N ATOM 323 CA LYS A 24 139.431 -1.441 -4.768 1.00 0.00 C ATOM 324 C LYS A 24 140.293 -0.455 -3.955 1.00 0.00 C ATOM 325 O LYS A 24 140.348 0.738 -4.268 1.00 0.00 O ATOM 326 CB LYS A 24 140.184 -1.970 -6.005 1.00 0.00 C ATOM 327 CG LYS A 24 141.475 -2.743 -5.682 1.00 0.00 C ATOM 328 CD LYS A 24 142.151 -3.208 -6.982 1.00 0.00 C ATOM 329 CE LYS A 24 143.583 -3.717 -6.765 1.00 0.00 C ATOM 330 NZ LYS A 24 143.643 -5.045 -6.100 1.00 0.00 N ATOM 0 H LYS A 24 138.074 -0.842 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 24 139.207 -2.263 -4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 24 139.517 -2.621 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 24 140.431 -1.128 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 24 142.156 -2.108 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 24 141.245 -3.604 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 24 141.554 -4.001 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 24 142.169 -2.381 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 24 144.089 -3.778 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 144.131 -2.992 -6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 144.581 -5.467 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 143.476 -4.930 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 142.914 -5.668 -6.502 1.00 0.00 H new ATOM 344 N GLY A 25 140.986 -0.960 -2.931 1.00 0.00 N ATOM 345 CA GLY A 25 141.887 -0.171 -2.079 1.00 0.00 C ATOM 346 C GLY A 25 143.211 0.252 -2.751 1.00 0.00 C ATOM 347 O GLY A 25 143.578 -0.293 -3.798 1.00 0.00 O ATOM 0 H GLY A 25 140.938 -1.943 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 25 141.361 0.725 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 25 142.119 -0.751 -1.185 1.00 0.00 H new ATOM 351 N PRO A 26 143.945 1.220 -2.166 1.00 0.00 N ATOM 352 CA PRO A 26 145.185 1.761 -2.735 1.00 0.00 C ATOM 353 C PRO A 26 146.408 0.847 -2.525 1.00 0.00 C ATOM 354 O PRO A 26 146.443 0.008 -1.619 1.00 0.00 O ATOM 355 CB PRO A 26 145.376 3.110 -2.032 1.00 0.00 C ATOM 356 CG PRO A 26 144.764 2.869 -0.655 1.00 0.00 C ATOM 357 CD PRO A 26 143.574 1.963 -0.968 1.00 0.00 C ATOM 0 HA PRO A 26 145.104 1.851 -3.818 1.00 0.00 H new ATOM 0 HB2 PRO A 26 146.429 3.384 -1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 26 144.871 3.917 -2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 26 145.470 2.390 0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 26 144.450 3.800 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 26 143.367 1.288 -0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 26 142.670 2.549 -1.135 1.00 0.00 H new ATOM 365 N LYS A 27 147.449 1.043 -3.345 1.00 0.00 N ATOM 366 CA LYS A 27 148.739 0.333 -3.255 1.00 0.00 C ATOM 367 C LYS A 27 149.393 0.491 -1.868 1.00 0.00 C ATOM 368 O LYS A 27 149.335 1.567 -1.265 1.00 0.00 O ATOM 369 CB LYS A 27 149.657 0.850 -4.381 1.00 0.00 C ATOM 370 CG LYS A 27 150.991 0.093 -4.468 1.00 0.00 C ATOM 371 CD LYS A 27 151.831 0.591 -5.651 1.00 0.00 C ATOM 372 CE LYS A 27 153.232 -0.030 -5.596 1.00 0.00 C ATOM 373 NZ LYS A 27 154.087 0.438 -6.718 1.00 0.00 N ATOM 0 H LYS A 27 147.420 1.717 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 27 148.570 -0.736 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 27 149.135 0.765 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 27 149.857 1.909 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 27 151.549 0.225 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 150.801 -0.975 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 27 151.344 0.328 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 151.905 1.678 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 27 153.705 0.224 -4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 27 153.150 -1.116 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 155.026 -0.004 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 153.648 0.173 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.186 1.472 -6.671 1.00 0.00 H new ATOM 387 N GLY A 28 150.026 -0.576 -1.374 1.00 0.00 N ATOM 388 CA GLY A 28 150.705 -0.602 -0.073 1.00 0.00 C ATOM 389 C GLY A 28 151.949 0.303 0.031 1.00 0.00 C ATOM 390 O GLY A 28 152.503 0.717 -0.994 1.00 0.00 O ATOM 0 H GLY A 28 150.083 -1.463 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 28 149.993 -0.306 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 28 151.001 -1.628 0.145 1.00 0.00 H new ATOM 394 N PRO A 29 152.394 0.631 1.260 1.00 0.00 N ATOM 395 CA PRO A 29 153.438 1.629 1.494 1.00 0.00 C ATOM 396 C PRO A 29 154.863 1.159 1.142 1.00 0.00 C ATOM 397 O PRO A 29 155.212 -0.021 1.276 1.00 0.00 O ATOM 398 CB PRO A 29 153.322 2.000 2.979 1.00 0.00 C ATOM 399 CG PRO A 29 152.724 0.749 3.618 1.00 0.00 C ATOM 400 CD PRO A 29 151.801 0.213 2.525 1.00 0.00 C ATOM 0 HA PRO A 29 153.283 2.481 0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 29 154.294 2.243 3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 29 152.682 2.870 3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 29 153.494 0.026 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 29 152.175 0.984 4.530 1.00 0.00 H new ATOM 0 HD2 PRO A 29 151.721 -0.873 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 29 150.793 0.613 2.635 1.00 0.00 H new ATOM 508 N GLY B 39 89.833 1.958 -0.853 1.00 0.00 N ATOM 509 CA GLY B 39 90.844 2.764 -0.152 1.00 0.00 C ATOM 510 C GLY B 39 92.036 3.221 -1.013 1.00 0.00 C ATOM 511 O GLY B 39 92.239 2.756 -2.137 1.00 0.00 O ATOM 0 HA2 GLY B 39 90.357 3.647 0.262 1.00 0.00 H new ATOM 0 HA3 GLY B 39 91.226 2.186 0.690 1.00 0.00 H new ATOM 515 N ASP B 40 92.825 4.161 -0.481 1.00 0.00 N ATOM 516 CA ASP B 40 93.996 4.769 -1.138 1.00 0.00 C ATOM 517 C ASP B 40 95.301 3.933 -1.043 1.00 0.00 C ATOM 518 O ASP B 40 95.484 3.199 -0.068 1.00 0.00 O ATOM 519 CB ASP B 40 94.226 6.153 -0.516 1.00 0.00 C ATOM 520 CG ASP B 40 93.244 7.189 -1.083 1.00 0.00 C ATOM 521 OD1 ASP B 40 93.513 7.733 -2.181 1.00 0.00 O ATOM 522 OD2 ASP B 40 92.199 7.461 -0.442 1.00 0.00 O ATOM 0 H ASP B 40 92.663 4.536 0.454 1.00 0.00 H new ATOM 0 HA ASP B 40 93.767 4.826 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP B 40 94.109 6.092 0.566 1.00 0.00 H new ATOM 0 HB3 ASP B 40 95.249 6.475 -0.708 1.00 0.00 H new ATOM 542 N GLY B 42 99.231 2.727 -0.278 1.00 0.00 N ATOM 543 CA GLY B 42 100.100 2.790 0.908 1.00 0.00 C ATOM 544 C GLY B 42 101.347 3.684 0.785 1.00 0.00 C ATOM 545 O GLY B 42 101.704 4.156 -0.297 1.00 0.00 O ATOM 0 HA2 GLY B 42 99.506 3.143 1.751 1.00 0.00 H new ATOM 0 HA3 GLY B 42 100.425 1.778 1.150 1.00 0.00 H new ATOM 549 N ASP B 43 102.018 3.915 1.919 1.00 0.00 N ATOM 550 CA ASP B 43 103.229 4.737 2.033 1.00 0.00 C ATOM 551 C ASP B 43 104.498 4.046 1.476 1.00 0.00 C ATOM 552 O ASP B 43 104.592 2.817 1.535 1.00 0.00 O ATOM 553 CB ASP B 43 103.435 5.054 3.520 1.00 0.00 C ATOM 554 CG ASP B 43 102.337 5.969 4.081 1.00 0.00 C ATOM 555 OD1 ASP B 43 102.137 7.087 3.546 1.00 0.00 O ATOM 556 OD2 ASP B 43 101.651 5.573 5.052 1.00 0.00 O ATOM 0 H ASP B 43 101.723 3.522 2.813 1.00 0.00 H new ATOM 0 HA ASP B 43 103.084 5.636 1.435 1.00 0.00 H new ATOM 0 HB2 ASP B 43 103.454 4.124 4.088 1.00 0.00 H new ATOM 0 HB3 ASP B 43 104.406 5.530 3.656 1.00 0.00 H new ATOM 576 N GLY B 45 108.295 2.389 1.084 1.00 0.00 N ATOM 577 CA GLY B 45 109.235 1.628 1.919 1.00 0.00 C ATOM 578 C GLY B 45 110.567 2.348 2.197 1.00 0.00 C ATOM 579 O GLY B 45 110.887 3.372 1.587 1.00 0.00 O ATOM 0 HA2 GLY B 45 108.754 1.400 2.870 1.00 0.00 H new ATOM 0 HA3 GLY B 45 109.446 0.676 1.432 1.00 0.00 H new ATOM 583 N ASP B 46 111.356 1.805 3.129 1.00 0.00 N ATOM 584 CA ASP B 46 112.686 2.309 3.502 1.00 0.00 C ATOM 585 C ASP B 46 113.770 1.966 2.453 1.00 0.00 C ATOM 586 O ASP B 46 113.635 0.960 1.750 1.00 0.00 O ATOM 587 CB ASP B 46 113.065 1.691 4.855 1.00 0.00 C ATOM 588 CG ASP B 46 112.308 2.353 6.015 1.00 0.00 C ATOM 589 OD1 ASP B 46 112.775 3.403 6.519 1.00 0.00 O ATOM 590 OD2 ASP B 46 111.246 1.825 6.424 1.00 0.00 O ATOM 0 H ASP B 46 111.082 0.979 3.661 1.00 0.00 H new ATOM 0 HA ASP B 46 112.638 3.396 3.559 1.00 0.00 H new ATOM 0 HB2 ASP B 46 112.847 0.623 4.841 1.00 0.00 H new ATOM 0 HB3 ASP B 46 114.138 1.795 5.015 1.00 0.00 H new ATOM 610 N GLY B 48 117.369 0.577 0.698 1.00 0.00 N ATOM 611 CA GLY B 48 118.178 -0.641 0.825 1.00 0.00 C ATOM 612 C GLY B 48 119.452 -0.499 1.671 1.00 0.00 C ATOM 613 O GLY B 48 119.894 0.604 2.000 1.00 0.00 O ATOM 0 HA2 GLY B 48 117.558 -1.425 1.260 1.00 0.00 H new ATOM 0 HA3 GLY B 48 118.460 -0.975 -0.173 1.00 0.00 H new ATOM 617 N ASP B 49 120.058 -1.640 2.014 1.00 0.00 N ATOM 618 CA ASP B 49 121.314 -1.725 2.761 1.00 0.00 C ATOM 619 C ASP B 49 122.550 -1.402 1.883 1.00 0.00 C ATOM 620 O ASP B 49 122.485 -1.549 0.656 1.00 0.00 O ATOM 621 CB ASP B 49 121.423 -3.151 3.315 1.00 0.00 C ATOM 622 CG ASP B 49 120.344 -3.479 4.358 1.00 0.00 C ATOM 623 OD1 ASP B 49 120.194 -2.735 5.358 1.00 0.00 O ATOM 624 OD2 ASP B 49 119.624 -4.490 4.184 1.00 0.00 O ATOM 0 H ASP B 49 119.677 -2.555 1.772 1.00 0.00 H new ATOM 0 HA ASP B 49 121.302 -0.984 3.560 1.00 0.00 H new ATOM 0 HB2 ASP B 49 121.350 -3.861 2.491 1.00 0.00 H new ATOM 0 HB3 ASP B 49 122.407 -3.285 3.765 1.00 0.00 H new ATOM 644 N GLY B 51 126.124 -1.651 -0.202 1.00 0.00 N ATOM 645 CA GLY B 51 126.937 -2.613 -0.950 1.00 0.00 C ATOM 646 C GLY B 51 128.066 -3.265 -0.144 1.00 0.00 C ATOM 647 O GLY B 51 128.447 -2.807 0.936 1.00 0.00 O ATOM 0 HA2 GLY B 51 126.285 -3.397 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY B 51 127.371 -2.107 -1.813 1.00 0.00 H new ATOM 651 N ASP B 52 128.620 -4.345 -0.695 1.00 0.00 N ATOM 652 CA ASP B 52 129.759 -5.060 -0.125 1.00 0.00 C ATOM 653 C ASP B 52 131.072 -4.245 -0.218 1.00 0.00 C ATOM 654 O ASP B 52 131.241 -3.463 -1.163 1.00 0.00 O ATOM 655 CB ASP B 52 129.896 -6.395 -0.864 1.00 0.00 C ATOM 656 CG ASP B 52 128.765 -7.363 -0.484 1.00 0.00 C ATOM 657 OD1 ASP B 52 128.907 -8.087 0.531 1.00 0.00 O ATOM 658 OD2 ASP B 52 127.729 -7.397 -1.192 1.00 0.00 O ATOM 0 H ASP B 52 128.282 -4.754 -1.566 1.00 0.00 H new ATOM 0 HA ASP B 52 129.579 -5.225 0.937 1.00 0.00 H new ATOM 0 HB2 ASP B 52 129.882 -6.220 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP B 52 130.859 -6.847 -0.627 1.00 0.00 H new ATOM 678 N GLY B 54 134.899 -3.145 -1.128 1.00 0.00 N ATOM 679 CA GLY B 54 135.812 -3.349 -2.258 1.00 0.00 C ATOM 680 C GLY B 54 136.994 -4.280 -1.942 1.00 0.00 C ATOM 681 O GLY B 54 137.300 -4.559 -0.780 1.00 0.00 O ATOM 0 HA2 GLY B 54 135.251 -3.762 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY B 54 136.199 -2.382 -2.579 1.00 0.00 H new ATOM 685 N ASP B 55 137.671 -4.766 -2.987 1.00 0.00 N ATOM 686 CA ASP B 55 138.840 -5.643 -2.866 1.00 0.00 C ATOM 687 C ASP B 55 140.071 -4.934 -2.254 1.00 0.00 C ATOM 688 O ASP B 55 140.246 -3.727 -2.453 1.00 0.00 O ATOM 689 CB ASP B 55 139.183 -6.207 -4.252 1.00 0.00 C ATOM 690 CG ASP B 55 138.273 -7.387 -4.622 1.00 0.00 C ATOM 691 OD1 ASP B 55 138.627 -8.545 -4.294 1.00 0.00 O ATOM 692 OD2 ASP B 55 137.200 -7.166 -5.233 1.00 0.00 O ATOM 0 H ASP B 55 137.419 -4.559 -3.953 1.00 0.00 H new ATOM 0 HA ASP B 55 138.581 -6.447 -2.178 1.00 0.00 H new ATOM 0 HB2 ASP B 55 139.083 -5.421 -5.000 1.00 0.00 H new ATOM 0 HB3 ASP B 55 140.224 -6.531 -4.267 1.00 0.00 H new ATOM 712 N GLY B 57 143.886 -3.465 -1.807 1.00 0.00 N ATOM 713 CA GLY B 57 144.989 -2.997 -2.650 1.00 0.00 C ATOM 714 C GLY B 57 146.142 -4.005 -2.730 1.00 0.00 C ATOM 715 O GLY B 57 146.280 -4.897 -1.888 1.00 0.00 O ATOM 0 HA2 GLY B 57 144.615 -2.799 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY B 57 145.365 -2.052 -2.258 1.00 0.00 H new ATOM 719 N ASP B 58 146.976 -3.870 -3.760 1.00 0.00 N ATOM 720 CA ASP B 58 148.175 -4.687 -3.962 1.00 0.00 C ATOM 721 C ASP B 58 149.392 -4.190 -3.144 1.00 0.00 C ATOM 722 O ASP B 58 149.428 -3.017 -2.754 1.00 0.00 O ATOM 723 CB ASP B 58 148.454 -4.758 -5.469 1.00 0.00 C ATOM 724 CG ASP B 58 147.546 -5.806 -6.137 1.00 0.00 C ATOM 725 OD1 ASP B 58 146.362 -5.505 -6.426 1.00 0.00 O ATOM 726 OD2 ASP B 58 148.013 -6.950 -6.351 1.00 0.00 O ATOM 0 H ASP B 58 146.835 -3.175 -4.494 1.00 0.00 H new ATOM 0 HA ASP B 58 147.995 -5.692 -3.580 1.00 0.00 H new ATOM 0 HB2 ASP B 58 148.286 -3.781 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP B 58 149.500 -5.013 -5.639 1.00 0.00 H new ATOM 898 N GLY C 74 102.084 0.197 -0.772 1.00 0.00 N ATOM 899 CA GLY C 74 103.010 1.265 -1.161 1.00 0.00 C ATOM 900 C GLY C 74 104.233 0.774 -1.960 1.00 0.00 C ATOM 901 O GLY C 74 104.518 -0.430 -1.982 1.00 0.00 O ATOM 0 HA2 GLY C 74 102.470 2.000 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY C 74 103.357 1.776 -0.263 1.00 0.00 H new ATOM 905 N PRO C 75 104.970 1.686 -2.623 1.00 0.00 N ATOM 906 CA PRO C 75 106.088 1.333 -3.502 1.00 0.00 C ATOM 907 C PRO C 75 107.359 0.909 -2.731 1.00 0.00 C ATOM 908 O PRO C 75 107.544 1.319 -1.577 1.00 0.00 O ATOM 909 CB PRO C 75 106.344 2.594 -4.337 1.00 0.00 C ATOM 910 CG PRO C 75 105.905 3.728 -3.413 1.00 0.00 C ATOM 911 CD PRO C 75 104.717 3.120 -2.669 1.00 0.00 C ATOM 0 HA PRO C 75 105.839 0.465 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO C 75 107.394 2.686 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO C 75 105.770 2.586 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO C 75 106.701 4.024 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO C 75 105.618 4.618 -3.973 1.00 0.00 H new ATOM 0 HD2 PRO C 75 104.631 3.534 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO C 75 103.781 3.336 -3.184 1.00 0.00 H new ATOM 934 N GLY C 77 111.245 1.118 -1.455 1.00 0.00 N ATOM 935 CA GLY C 77 112.215 2.189 -1.183 1.00 0.00 C ATOM 936 C GLY C 77 113.362 2.256 -2.213 1.00 0.00 C ATOM 937 O GLY C 77 113.533 1.320 -3.005 1.00 0.00 O ATOM 0 HA2 GLY C 77 111.693 3.146 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY C 77 112.638 2.042 -0.189 1.00 0.00 H new ATOM 941 N PRO C 78 114.161 3.344 -2.225 1.00 0.00 N ATOM 942 CA PRO C 78 115.283 3.495 -3.155 1.00 0.00 C ATOM 943 C PRO C 78 116.410 2.453 -2.957 1.00 0.00 C ATOM 944 O PRO C 78 116.557 1.908 -1.855 1.00 0.00 O ATOM 945 CB PRO C 78 115.796 4.933 -2.994 1.00 0.00 C ATOM 946 CG PRO C 78 114.984 5.570 -1.864 1.00 0.00 C ATOM 947 CD PRO C 78 114.054 4.485 -1.326 1.00 0.00 C ATOM 0 HA PRO C 78 114.936 3.307 -4.171 1.00 0.00 H new ATOM 0 HB2 PRO C 78 116.860 4.939 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO C 78 115.673 5.493 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO C 78 115.641 5.942 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO C 78 114.412 6.422 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO C 78 114.337 4.204 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO C 78 113.026 4.846 -1.282 1.00 0.00 H new ATOM 970 N GLY C 80 120.104 0.929 -2.084 1.00 0.00 N ATOM 971 CA GLY C 80 121.041 1.223 -0.997 1.00 0.00 C ATOM 972 C GLY C 80 122.314 1.979 -1.428 1.00 0.00 C ATOM 973 O GLY C 80 122.625 2.038 -2.625 1.00 0.00 O ATOM 0 HA2 GLY C 80 120.524 1.813 -0.240 1.00 0.00 H new ATOM 0 HA3 GLY C 80 121.334 0.285 -0.525 1.00 0.00 H new ATOM 977 N PRO C 81 123.068 2.559 -0.472 1.00 0.00 N ATOM 978 CA PRO C 81 124.331 3.245 -0.751 1.00 0.00 C ATOM 979 C PRO C 81 125.471 2.337 -1.273 1.00 0.00 C ATOM 980 O PRO C 81 125.476 1.132 -0.997 1.00 0.00 O ATOM 981 CB PRO C 81 124.712 3.994 0.535 1.00 0.00 C ATOM 982 CG PRO C 81 123.653 3.628 1.576 1.00 0.00 C ATOM 983 CD PRO C 81 122.812 2.516 0.960 1.00 0.00 C ATOM 0 HA PRO C 81 124.184 3.931 -1.585 1.00 0.00 H new ATOM 0 HB2 PRO C 81 125.707 3.704 0.874 1.00 0.00 H new ATOM 0 HB3 PRO C 81 124.735 5.071 0.366 1.00 0.00 H new ATOM 0 HG2 PRO C 81 124.119 3.295 2.503 1.00 0.00 H new ATOM 0 HG3 PRO C 81 123.035 4.492 1.822 1.00 0.00 H new ATOM 0 HD2 PRO C 81 123.085 1.546 1.375 1.00 0.00 H new ATOM 0 HD3 PRO C 81 121.753 2.666 1.171 1.00 0.00 H new ATOM 1006 N GLY C 83 129.035 0.383 -1.321 1.00 0.00 N ATOM 1007 CA GLY C 83 129.866 -0.265 -0.301 1.00 0.00 C ATOM 1008 C GLY C 83 131.160 0.508 0.015 1.00 0.00 C ATOM 1009 O GLY C 83 131.610 1.312 -0.812 1.00 0.00 O ATOM 0 HA2 GLY C 83 129.285 -0.375 0.614 1.00 0.00 H new ATOM 0 HA3 GLY C 83 130.124 -1.269 -0.637 1.00 0.00 H new ATOM 1013 N PRO C 84 131.779 0.288 1.193 1.00 0.00 N ATOM 1014 CA PRO C 84 133.027 0.956 1.559 1.00 0.00 C ATOM 1015 C PRO C 84 134.228 0.608 0.645 1.00 0.00 C ATOM 1016 O PRO C 84 134.306 -0.518 0.137 1.00 0.00 O ATOM 1017 CB PRO C 84 133.285 0.635 3.036 1.00 0.00 C ATOM 1018 CG PRO C 84 132.171 -0.319 3.472 1.00 0.00 C ATOM 1019 CD PRO C 84 131.383 -0.674 2.213 1.00 0.00 C ATOM 0 HA PRO C 84 132.918 2.030 1.411 1.00 0.00 H new ATOM 0 HB2 PRO C 84 134.264 0.175 3.168 1.00 0.00 H new ATOM 0 HB3 PRO C 84 133.276 1.544 3.638 1.00 0.00 H new ATOM 0 HG2 PRO C 84 132.587 -1.214 3.934 1.00 0.00 H new ATOM 0 HG3 PRO C 84 131.525 0.152 4.213 1.00 0.00 H new ATOM 0 HD2 PRO C 84 131.602 -1.692 1.892 1.00 0.00 H new ATOM 0 HD3 PRO C 84 130.310 -0.623 2.399 1.00 0.00 H new ATOM 1042 N GLY C 86 137.964 -0.707 -0.380 1.00 0.00 N ATOM 1043 CA GLY C 86 138.862 -1.757 0.112 1.00 0.00 C ATOM 1044 C GLY C 86 140.057 -1.214 0.923 1.00 0.00 C ATOM 1045 O GLY C 86 140.403 -0.032 0.798 1.00 0.00 O ATOM 0 HA2 GLY C 86 138.294 -2.447 0.735 1.00 0.00 H new ATOM 0 HA3 GLY C 86 139.238 -2.329 -0.736 1.00 0.00 H new ATOM 1049 N PRO C 87 140.714 -2.056 1.744 1.00 0.00 N ATOM 1050 CA PRO C 87 141.866 -1.650 2.554 1.00 0.00 C ATOM 1051 C PRO C 87 143.130 -1.413 1.700 1.00 0.00 C ATOM 1052 O PRO C 87 143.267 -2.023 0.632 1.00 0.00 O ATOM 1053 CB PRO C 87 142.079 -2.800 3.547 1.00 0.00 C ATOM 1054 CG PRO C 87 141.541 -4.021 2.801 1.00 0.00 C ATOM 1055 CD PRO C 87 140.372 -3.448 2.002 1.00 0.00 C ATOM 0 HA PRO C 87 141.679 -0.699 3.053 1.00 0.00 H new ATOM 0 HB2 PRO C 87 143.132 -2.918 3.804 1.00 0.00 H new ATOM 0 HB3 PRO C 87 141.541 -2.630 4.479 1.00 0.00 H new ATOM 0 HG2 PRO C 87 142.297 -4.462 2.151 1.00 0.00 H new ATOM 0 HG3 PRO C 87 141.216 -4.803 3.488 1.00 0.00 H new ATOM 0 HD2 PRO C 87 140.230 -3.995 1.070 1.00 0.00 H new ATOM 0 HD3 PRO C 87 139.440 -3.525 2.562 1.00 0.00 H new ATOM 1078 N GLY C 89 146.959 -2.057 0.438 1.00 0.00 N ATOM 1079 CA GLY C 89 147.850 -3.220 0.361 1.00 0.00 C ATOM 1080 C GLY C 89 148.898 -3.262 1.490 1.00 0.00 C ATOM 1081 O GLY C 89 149.140 -2.242 2.148 1.00 0.00 O ATOM 0 HA2 GLY C 89 147.251 -4.130 0.397 1.00 0.00 H new ATOM 0 HA3 GLY C 89 148.363 -3.213 -0.601 1.00 0.00 H new ATOM 1085 N PRO C 90 149.542 -4.419 1.729 1.00 0.00 N ATOM 1086 CA PRO C 90 150.541 -4.562 2.789 1.00 0.00 C ATOM 1087 C PRO C 90 151.869 -3.838 2.458 1.00 0.00 C ATOM 1088 O PRO C 90 152.157 -3.586 1.279 1.00 0.00 O ATOM 1089 CB PRO C 90 150.732 -6.074 2.955 1.00 0.00 C ATOM 1090 CG PRO C 90 150.417 -6.621 1.567 1.00 0.00 C ATOM 1091 CD PRO C 90 149.311 -5.694 1.065 1.00 0.00 C ATOM 0 HA PRO C 90 150.207 -4.093 3.714 1.00 0.00 H new ATOM 0 HB2 PRO C 90 151.748 -6.320 3.263 1.00 0.00 H new ATOM 0 HB3 PRO C 90 150.062 -6.484 3.711 1.00 0.00 H new ATOM 0 HG2 PRO C 90 151.291 -6.593 0.916 1.00 0.00 H new ATOM 0 HG3 PRO C 90 150.084 -7.658 1.610 1.00 0.00 H new ATOM 0 HD2 PRO C 90 149.352 -5.585 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO C 90 148.325 -6.091 1.309 1.00 0.00 H new