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+ 175:sc= 1.22 (180deg=1.1) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 1.02 (180deg=0.974) USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.16) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.16) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.549) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.13) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.35 (180deg=1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 85.470 3.502 5.072 1.00 0.00 N ATOM 65 CA LYS A 6 86.751 3.303 4.366 1.00 0.00 C ATOM 66 C LYS A 6 87.608 2.201 5.015 1.00 0.00 C ATOM 67 O LYS A 6 87.673 2.094 6.243 1.00 0.00 O ATOM 68 CB LYS A 6 87.520 4.641 4.328 1.00 0.00 C ATOM 69 CG LYS A 6 88.637 4.634 3.269 1.00 0.00 C ATOM 70 CD LYS A 6 89.577 5.848 3.330 1.00 0.00 C ATOM 71 CE LYS A 6 90.459 5.821 4.588 1.00 0.00 C ATOM 72 NZ LYS A 6 91.466 6.916 4.579 1.00 0.00 N ATOM 0 HA LYS A 6 86.534 2.971 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.824 5.453 4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 6 87.952 4.839 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 6 89.228 3.726 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.182 4.591 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 6 90.209 5.864 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 6 88.988 6.765 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.831 5.912 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 6 90.968 4.859 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 91.985 6.917 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 92.133 6.768 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 90.984 7.829 4.456 1.00 0.00 H new ATOM 86 N GLY A 7 88.304 1.415 4.192 1.00 0.00 N ATOM 87 CA GLY A 7 89.304 0.432 4.622 1.00 0.00 C ATOM 88 C GLY A 7 90.591 1.044 5.211 1.00 0.00 C ATOM 89 O GLY A 7 90.852 2.239 5.031 1.00 0.00 O ATOM 0 H GLY A 7 88.185 1.444 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 7 88.854 -0.223 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 7 89.571 -0.192 3.769 1.00 0.00 H new ATOM 93 N PRO A 8 91.408 0.241 5.919 1.00 0.00 N ATOM 94 CA PRO A 8 92.618 0.707 6.603 1.00 0.00 C ATOM 95 C PRO A 8 93.829 0.889 5.668 1.00 0.00 C ATOM 96 O PRO A 8 93.931 0.269 4.606 1.00 0.00 O ATOM 97 CB PRO A 8 92.898 -0.365 7.662 1.00 0.00 C ATOM 98 CG PRO A 8 92.390 -1.643 6.997 1.00 0.00 C ATOM 99 CD PRO A 8 91.154 -1.159 6.239 1.00 0.00 C ATOM 0 HA PRO A 8 92.460 1.699 7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 8 93.959 -0.429 7.901 1.00 0.00 H new ATOM 0 HB3 PRO A 8 92.373 -0.159 8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 8 93.134 -2.073 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 8 92.141 -2.410 7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 8 90.996 -1.745 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 8 90.256 -1.264 6.847 1.00 0.00 H new ATOM 107 N LYS A 9 94.787 1.716 6.103 1.00 0.00 N ATOM 108 CA LYS A 9 96.086 1.928 5.454 1.00 0.00 C ATOM 109 C LYS A 9 96.898 0.624 5.331 1.00 0.00 C ATOM 110 O LYS A 9 96.898 -0.196 6.254 1.00 0.00 O ATOM 111 CB LYS A 9 96.828 3.024 6.245 1.00 0.00 C ATOM 112 CG LYS A 9 98.191 3.416 5.655 1.00 0.00 C ATOM 113 CD LYS A 9 98.804 4.561 6.477 1.00 0.00 C ATOM 114 CE LYS A 9 100.290 4.797 6.170 1.00 0.00 C ATOM 115 NZ LYS A 9 100.529 5.491 4.876 1.00 0.00 N ATOM 0 H LYS A 9 94.675 2.277 6.948 1.00 0.00 H new ATOM 0 HA LYS A 9 95.941 2.257 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 9 96.197 3.912 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 9 96.974 2.681 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 9 98.860 2.555 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 9 98.073 3.724 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 9 98.249 5.478 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 9 98.689 4.340 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 9 100.729 5.386 6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 9 100.807 3.837 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 101.536 5.738 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 100.263 4.863 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 99.956 6.358 4.836 1.00 0.00 H new ATOM 129 N GLY A 10 97.604 0.430 4.207 1.00 0.00 N ATOM 130 CA GLY A 10 98.408 -0.761 3.927 1.00 0.00 C ATOM 131 C GLY A 10 99.705 -0.881 4.754 1.00 0.00 C ATOM 132 O GLY A 10 100.112 0.077 5.420 1.00 0.00 O ATOM 0 H GLY A 10 97.630 1.115 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 10 97.796 -1.645 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 10 98.668 -0.765 2.868 1.00 0.00 H new ATOM 136 N PRO A 11 100.376 -2.052 4.723 1.00 0.00 N ATOM 137 CA PRO A 11 101.590 -2.319 5.506 1.00 0.00 C ATOM 138 C PRO A 11 102.841 -1.601 4.967 1.00 0.00 C ATOM 139 O PRO A 11 102.977 -1.360 3.765 1.00 0.00 O ATOM 140 CB PRO A 11 101.764 -3.843 5.456 1.00 0.00 C ATOM 141 CG PRO A 11 101.132 -4.225 4.120 1.00 0.00 C ATOM 142 CD PRO A 11 99.956 -3.256 4.016 1.00 0.00 C ATOM 0 HA PRO A 11 101.480 -1.937 6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 11 102.815 -4.130 5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 11 101.264 -4.333 6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 11 101.831 -4.104 3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 11 100.803 -5.264 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 11 99.720 -3.037 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 11 99.058 -3.680 4.464 1.00 0.00 H new ATOM 150 N LYS A 12 103.781 -1.300 5.868 1.00 0.00 N ATOM 151 CA LYS A 12 105.093 -0.705 5.559 1.00 0.00 C ATOM 152 C LYS A 12 105.932 -1.600 4.619 1.00 0.00 C ATOM 153 O LYS A 12 105.918 -2.824 4.749 1.00 0.00 O ATOM 154 CB LYS A 12 105.804 -0.417 6.913 1.00 0.00 C ATOM 155 CG LYS A 12 107.168 0.283 6.754 1.00 0.00 C ATOM 156 CD LYS A 12 107.633 0.827 8.111 1.00 0.00 C ATOM 157 CE LYS A 12 109.075 1.349 8.075 1.00 0.00 C ATOM 158 NZ LYS A 12 110.068 0.248 8.209 1.00 0.00 N ATOM 0 H LYS A 12 103.649 -1.468 6.866 1.00 0.00 H new ATOM 0 HA LYS A 12 104.965 0.227 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.155 0.205 7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.947 -1.357 7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 12 107.904 -0.419 6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 12 107.088 1.097 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 12 106.967 1.631 8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 12 107.554 0.039 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 12 109.246 1.880 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 12 109.221 2.069 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 111.014 0.602 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 110.073 -0.098 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 109.812 -0.530 7.569 1.00 0.00 H new ATOM 172 N GLY A 13 106.650 -0.983 3.679 1.00 0.00 N ATOM 173 CA GLY A 13 107.421 -1.678 2.644 1.00 0.00 C ATOM 174 C GLY A 13 108.698 -2.379 3.145 1.00 0.00 C ATOM 175 O GLY A 13 109.153 -2.117 4.265 1.00 0.00 O ATOM 0 H GLY A 13 106.714 0.033 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.779 -2.421 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.698 -0.958 1.873 1.00 0.00 H new ATOM 179 N PRO A 14 109.293 -3.270 2.327 1.00 0.00 N ATOM 180 CA PRO A 14 110.477 -4.050 2.698 1.00 0.00 C ATOM 181 C PRO A 14 111.776 -3.228 2.660 1.00 0.00 C ATOM 182 O PRO A 14 111.927 -2.293 1.868 1.00 0.00 O ATOM 183 CB PRO A 14 110.517 -5.202 1.688 1.00 0.00 C ATOM 184 CG PRO A 14 109.891 -4.592 0.436 1.00 0.00 C ATOM 185 CD PRO A 14 108.817 -3.667 1.007 1.00 0.00 C ATOM 0 HA PRO A 14 110.408 -4.397 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 14 111.537 -5.541 1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 14 109.953 -6.066 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 14 110.624 -4.043 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 14 109.463 -5.355 -0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 14 108.670 -2.797 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 14 107.857 -4.178 1.075 1.00 0.00 H new ATOM 193 N LYS A 15 112.746 -3.617 3.496 1.00 0.00 N ATOM 194 CA LYS A 15 114.106 -3.043 3.518 1.00 0.00 C ATOM 195 C LYS A 15 114.806 -3.218 2.155 1.00 0.00 C ATOM 196 O LYS A 15 114.685 -4.269 1.517 1.00 0.00 O ATOM 197 CB LYS A 15 114.889 -3.718 4.665 1.00 0.00 C ATOM 198 CG LYS A 15 116.293 -3.128 4.872 1.00 0.00 C ATOM 199 CD LYS A 15 116.956 -3.765 6.104 1.00 0.00 C ATOM 200 CE LYS A 15 118.453 -3.447 6.218 1.00 0.00 C ATOM 201 NZ LYS A 15 118.736 -2.020 6.534 1.00 0.00 N ATOM 0 H LYS A 15 112.610 -4.352 4.190 1.00 0.00 H new ATOM 0 HA LYS A 15 114.061 -1.969 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 15 114.321 -3.620 5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 15 114.978 -4.784 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 15 116.905 -3.305 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 15 116.227 -2.048 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 15 116.448 -3.416 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 15 116.823 -4.846 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 15 118.892 -4.076 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 15 118.944 -3.707 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 119.758 -1.893 6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 118.422 -1.421 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 118.226 -1.748 7.399 1.00 0.00 H new ATOM 215 N GLY A 16 115.541 -2.193 1.717 1.00 0.00 N ATOM 216 CA GLY A 16 116.263 -2.185 0.436 1.00 0.00 C ATOM 217 C GLY A 16 117.448 -3.169 0.361 1.00 0.00 C ATOM 218 O GLY A 16 117.907 -3.670 1.393 1.00 0.00 O ATOM 0 H GLY A 16 115.655 -1.330 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 16 115.561 -2.421 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 16 116.632 -1.177 0.248 1.00 0.00 H new ATOM 222 N PRO A 17 117.966 -3.451 -0.849 1.00 0.00 N ATOM 223 CA PRO A 17 119.079 -4.383 -1.056 1.00 0.00 C ATOM 224 C PRO A 17 120.439 -3.787 -0.643 1.00 0.00 C ATOM 225 O PRO A 17 120.669 -2.580 -0.746 1.00 0.00 O ATOM 226 CB PRO A 17 119.037 -4.721 -2.550 1.00 0.00 C ATOM 227 CG PRO A 17 118.459 -3.456 -3.182 1.00 0.00 C ATOM 228 CD PRO A 17 117.471 -2.958 -2.128 1.00 0.00 C ATOM 0 HA PRO A 17 118.973 -5.269 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 17 120.030 -4.947 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 17 118.411 -5.591 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 17 119.235 -2.718 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 17 117.964 -3.669 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 17 117.413 -1.870 -2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 17 116.466 -3.331 -2.328 1.00 0.00 H new ATOM 236 N LYS A 18 121.355 -4.644 -0.182 1.00 0.00 N ATOM 237 CA LYS A 18 122.717 -4.282 0.259 1.00 0.00 C ATOM 238 C LYS A 18 123.572 -3.656 -0.857 1.00 0.00 C ATOM 239 O LYS A 18 123.426 -4.009 -2.028 1.00 0.00 O ATOM 240 CB LYS A 18 123.354 -5.557 0.838 1.00 0.00 C ATOM 241 CG LYS A 18 124.730 -5.328 1.477 1.00 0.00 C ATOM 242 CD LYS A 18 125.220 -6.621 2.139 1.00 0.00 C ATOM 243 CE LYS A 18 126.691 -6.475 2.538 1.00 0.00 C ATOM 244 NZ LYS A 18 127.208 -7.721 3.161 1.00 0.00 N ATOM 0 H LYS A 18 121.168 -5.643 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 18 122.662 -3.501 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 18 122.683 -5.980 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 18 123.452 -6.296 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 18 125.443 -5.004 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 18 124.668 -4.531 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 18 124.615 -6.842 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 18 125.102 -7.459 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 18 127.286 -6.232 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 18 126.800 -5.645 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 128.182 -7.891 2.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 127.197 -7.622 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 126.607 -8.523 2.884 1.00 0.00 H new ATOM 258 N GLY A 19 124.481 -2.748 -0.488 1.00 0.00 N ATOM 259 CA GLY A 19 125.394 -2.070 -1.424 1.00 0.00 C ATOM 260 C GLY A 19 126.580 -2.923 -1.928 1.00 0.00 C ATOM 261 O GLY A 19 126.851 -3.997 -1.380 1.00 0.00 O ATOM 0 H GLY A 19 124.608 -2.457 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 19 124.819 -1.733 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 19 125.790 -1.179 -0.937 1.00 0.00 H new ATOM 265 N PRO A 20 127.306 -2.457 -2.966 1.00 0.00 N ATOM 266 CA PRO A 20 128.440 -3.171 -3.570 1.00 0.00 C ATOM 267 C PRO A 20 129.744 -3.059 -2.755 1.00 0.00 C ATOM 268 O PRO A 20 129.945 -2.110 -1.993 1.00 0.00 O ATOM 269 CB PRO A 20 128.605 -2.531 -4.954 1.00 0.00 C ATOM 270 CG PRO A 20 128.152 -1.091 -4.726 1.00 0.00 C ATOM 271 CD PRO A 20 127.006 -1.251 -3.729 1.00 0.00 C ATOM 0 HA PRO A 20 128.240 -4.242 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 20 129.638 -2.579 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 20 127.994 -3.032 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 20 128.955 -0.473 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 20 127.820 -0.620 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 20 126.934 -0.382 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 20 126.050 -1.342 -4.244 1.00 0.00 H new ATOM 279 N LYS A 21 130.666 -4.015 -2.947 1.00 0.00 N ATOM 280 CA LYS A 21 131.998 -4.044 -2.304 1.00 0.00 C ATOM 281 C LYS A 21 132.855 -2.812 -2.667 1.00 0.00 C ATOM 282 O LYS A 21 132.810 -2.335 -3.804 1.00 0.00 O ATOM 283 CB LYS A 21 132.710 -5.354 -2.703 1.00 0.00 C ATOM 284 CG LYS A 21 133.968 -5.619 -1.857 1.00 0.00 C ATOM 285 CD LYS A 21 134.812 -6.811 -2.325 1.00 0.00 C ATOM 286 CE LYS A 21 135.582 -6.462 -3.606 1.00 0.00 C ATOM 287 NZ LYS A 21 136.517 -7.550 -4.000 1.00 0.00 N ATOM 0 H LYS A 21 130.507 -4.809 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 21 131.863 -4.008 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 21 132.018 -6.189 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 21 132.987 -5.308 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 21 134.591 -4.724 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 21 133.666 -5.788 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 21 135.513 -7.097 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 21 134.167 -7.671 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 134.876 -6.278 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 21 136.141 -5.539 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 136.680 -7.513 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 137.421 -7.428 -3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 136.104 -8.471 -3.748 1.00 0.00 H new ATOM 301 N GLY A 22 133.670 -2.333 -1.721 1.00 0.00 N ATOM 302 CA GLY A 22 134.661 -1.268 -1.948 1.00 0.00 C ATOM 303 C GLY A 22 135.945 -1.712 -2.685 1.00 0.00 C ATOM 304 O GLY A 22 136.186 -2.913 -2.846 1.00 0.00 O ATOM 0 H GLY A 22 133.662 -2.677 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 22 134.189 -0.470 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 134.942 -0.844 -0.984 1.00 0.00 H new ATOM 308 N PRO A 23 136.787 -0.761 -3.139 1.00 0.00 N ATOM 309 CA PRO A 23 138.019 -1.041 -3.889 1.00 0.00 C ATOM 310 C PRO A 23 139.202 -1.472 -2.999 1.00 0.00 C ATOM 311 O PRO A 23 139.255 -1.171 -1.806 1.00 0.00 O ATOM 312 CB PRO A 23 138.335 0.272 -4.615 1.00 0.00 C ATOM 313 CG PRO A 23 137.807 1.333 -3.652 1.00 0.00 C ATOM 314 CD PRO A 23 136.549 0.677 -3.084 1.00 0.00 C ATOM 0 HA PRO A 23 137.871 -1.884 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 23 139.404 0.386 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 23 137.841 0.326 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 23 138.530 1.566 -2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 23 137.580 2.268 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 23 136.367 1.004 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 23 135.669 0.950 -3.667 1.00 0.00 H new ATOM 322 N LYS A 24 140.188 -2.150 -3.600 1.00 0.00 N ATOM 323 CA LYS A 24 141.440 -2.609 -2.960 1.00 0.00 C ATOM 324 C LYS A 24 142.242 -1.464 -2.305 1.00 0.00 C ATOM 325 O LYS A 24 142.291 -0.348 -2.830 1.00 0.00 O ATOM 326 CB LYS A 24 142.262 -3.330 -4.049 1.00 0.00 C ATOM 327 CG LYS A 24 143.595 -3.917 -3.562 1.00 0.00 C ATOM 328 CD LYS A 24 144.268 -4.692 -4.703 1.00 0.00 C ATOM 329 CE LYS A 24 145.702 -5.080 -4.329 1.00 0.00 C ATOM 330 NZ LYS A 24 146.364 -5.821 -5.434 1.00 0.00 N ATOM 0 H LYS A 24 140.139 -2.407 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 24 141.203 -3.283 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 24 141.658 -4.134 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 24 142.464 -2.628 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 24 144.251 -3.118 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 24 143.423 -4.578 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 24 143.691 -5.589 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 24 144.276 -4.083 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 24 146.275 -4.183 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 24 145.692 -5.696 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 147.354 -6.012 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 145.868 -6.721 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 146.333 -5.250 -6.302 1.00 0.00 H new ATOM 344 N GLY A 25 142.893 -1.757 -1.174 1.00 0.00 N ATOM 345 CA GLY A 25 143.715 -0.804 -0.411 1.00 0.00 C ATOM 346 C GLY A 25 145.132 -0.546 -0.968 1.00 0.00 C ATOM 347 O GLY A 25 145.563 -1.221 -1.909 1.00 0.00 O ATOM 0 H GLY A 25 142.864 -2.685 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 25 143.185 0.147 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 25 143.808 -1.170 0.612 1.00 0.00 H new ATOM 351 N PRO A 26 145.871 0.429 -0.398 1.00 0.00 N ATOM 352 CA PRO A 26 147.203 0.835 -0.867 1.00 0.00 C ATOM 353 C PRO A 26 148.325 -0.126 -0.426 1.00 0.00 C ATOM 354 O PRO A 26 148.183 -0.873 0.546 1.00 0.00 O ATOM 355 CB PRO A 26 147.406 2.236 -0.275 1.00 0.00 C ATOM 356 CG PRO A 26 146.640 2.167 1.043 1.00 0.00 C ATOM 357 CD PRO A 26 145.439 1.287 0.699 1.00 0.00 C ATOM 0 HA PRO A 26 147.254 0.820 -1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 26 148.461 2.458 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 26 147.011 3.012 -0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 26 147.245 1.731 1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 26 146.331 3.156 1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 26 145.130 0.694 1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 26 144.582 1.893 0.406 1.00 0.00 H new ATOM 365 N LYS A 27 149.472 -0.078 -1.115 1.00 0.00 N ATOM 366 CA LYS A 27 150.668 -0.880 -0.798 1.00 0.00 C ATOM 367 C LYS A 27 151.156 -0.629 0.649 1.00 0.00 C ATOM 368 O LYS A 27 151.141 0.513 1.131 1.00 0.00 O ATOM 369 CB LYS A 27 151.770 -0.548 -1.841 1.00 0.00 C ATOM 370 CG LYS A 27 152.995 -1.474 -1.731 1.00 0.00 C ATOM 371 CD LYS A 27 153.994 -1.166 -2.862 1.00 0.00 C ATOM 372 CE LYS A 27 155.300 -1.970 -2.778 1.00 0.00 C ATOM 373 NZ LYS A 27 155.100 -3.429 -3.001 1.00 0.00 N ATOM 0 H LYS A 27 149.601 0.530 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 27 150.422 -1.940 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 151.350 -0.626 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 152.089 0.486 -1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 27 153.477 -1.339 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 27 152.679 -2.516 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 27 153.516 -1.368 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 154.232 -0.103 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 27 156.004 -1.588 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 155.753 -1.816 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 156.015 -3.919 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 154.451 -3.805 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.694 -3.583 -3.946 1.00 0.00 H new ATOM 387 N GLY A 28 151.588 -1.695 1.338 1.00 0.00 N ATOM 388 CA GLY A 28 152.072 -1.638 2.720 1.00 0.00 C ATOM 389 C GLY A 28 153.375 -0.838 2.902 1.00 0.00 C ATOM 390 O GLY A 28 154.085 -0.574 1.925 1.00 0.00 O ATOM 0 H GLY A 28 151.610 -2.635 0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 28 151.297 -1.196 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 28 152.230 -2.655 3.080 1.00 0.00 H new ATOM 394 N PRO A 29 153.717 -0.449 4.146 1.00 0.00 N ATOM 395 CA PRO A 29 154.903 0.363 4.441 1.00 0.00 C ATOM 396 C PRO A 29 156.209 -0.382 4.118 1.00 0.00 C ATOM 397 O PRO A 29 156.365 -1.563 4.433 1.00 0.00 O ATOM 398 CB PRO A 29 154.788 0.745 5.923 1.00 0.00 C ATOM 399 CG PRO A 29 153.884 -0.333 6.519 1.00 0.00 C ATOM 400 CD PRO A 29 152.953 -0.692 5.363 1.00 0.00 C ATOM 0 HA PRO A 29 154.941 1.254 3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 29 155.764 0.759 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 29 154.357 1.739 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 29 154.457 -1.197 6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 29 153.330 0.039 7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 29 152.637 -1.733 5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 29 152.049 -0.083 5.385 1.00 0.00 H new ATOM 508 N GLY B 39 91.352 1.403 1.315 1.00 0.00 N ATOM 509 CA GLY B 39 92.320 2.165 2.116 1.00 0.00 C ATOM 510 C GLY B 39 93.532 2.698 1.334 1.00 0.00 C ATOM 511 O GLY B 39 93.743 2.383 0.162 1.00 0.00 O ATOM 0 HA2 GLY B 39 91.805 3.008 2.577 1.00 0.00 H new ATOM 0 HA3 GLY B 39 92.679 1.530 2.926 1.00 0.00 H new ATOM 515 N ASP B 40 94.334 3.531 2.000 1.00 0.00 N ATOM 516 CA ASP B 40 95.506 4.218 1.444 1.00 0.00 C ATOM 517 C ASP B 40 96.792 3.351 1.402 1.00 0.00 C ATOM 518 O ASP B 40 96.947 2.442 2.226 1.00 0.00 O ATOM 519 CB ASP B 40 95.758 5.462 2.306 1.00 0.00 C ATOM 520 CG ASP B 40 94.640 6.504 2.143 1.00 0.00 C ATOM 521 OD1 ASP B 40 94.692 7.297 1.172 1.00 0.00 O ATOM 522 OD2 ASP B 40 93.709 6.531 2.985 1.00 0.00 O ATOM 0 H ASP B 40 94.180 3.756 2.983 1.00 0.00 H new ATOM 0 HA ASP B 40 95.285 4.464 0.405 1.00 0.00 H new ATOM 0 HB2 ASP B 40 95.833 5.170 3.353 1.00 0.00 H new ATOM 0 HB3 ASP B 40 96.714 5.908 2.031 1.00 0.00 H new ATOM 542 N GLY B 42 100.615 1.922 2.026 1.00 0.00 N ATOM 543 CA GLY B 42 101.575 1.834 3.133 1.00 0.00 C ATOM 544 C GLY B 42 102.823 2.708 2.959 1.00 0.00 C ATOM 545 O GLY B 42 103.113 3.212 1.872 1.00 0.00 O ATOM 0 HA2 GLY B 42 101.073 2.119 4.057 1.00 0.00 H new ATOM 0 HA3 GLY B 42 101.886 0.796 3.246 1.00 0.00 H new ATOM 549 N ASP B 43 103.568 2.906 4.049 1.00 0.00 N ATOM 550 CA ASP B 43 104.764 3.753 4.090 1.00 0.00 C ATOM 551 C ASP B 43 106.017 3.074 3.485 1.00 0.00 C ATOM 552 O ASP B 43 106.119 1.843 3.512 1.00 0.00 O ATOM 553 CB ASP B 43 105.002 4.127 5.558 1.00 0.00 C ATOM 554 CG ASP B 43 103.904 5.036 6.141 1.00 0.00 C ATOM 555 OD1 ASP B 43 103.277 5.821 5.386 1.00 0.00 O ATOM 556 OD2 ASP B 43 103.649 4.953 7.366 1.00 0.00 O ATOM 0 H ASP B 43 103.353 2.473 4.947 1.00 0.00 H new ATOM 0 HA ASP B 43 104.594 4.636 3.474 1.00 0.00 H new ATOM 0 HB2 ASP B 43 105.063 3.215 6.153 1.00 0.00 H new ATOM 0 HB3 ASP B 43 105.965 4.630 5.646 1.00 0.00 H new ATOM 576 N GLY B 45 109.749 1.420 2.754 1.00 0.00 N ATOM 577 CA GLY B 45 110.747 0.625 3.479 1.00 0.00 C ATOM 578 C GLY B 45 112.060 1.374 3.759 1.00 0.00 C ATOM 579 O GLY B 45 112.350 2.411 3.156 1.00 0.00 O ATOM 0 HA2 GLY B 45 110.318 0.298 4.426 1.00 0.00 H new ATOM 0 HA3 GLY B 45 110.969 -0.273 2.903 1.00 0.00 H new ATOM 583 N ASP B 46 112.866 0.846 4.684 1.00 0.00 N ATOM 584 CA ASP B 46 114.155 1.423 5.082 1.00 0.00 C ATOM 585 C ASP B 46 115.276 1.146 4.053 1.00 0.00 C ATOM 586 O ASP B 46 115.232 0.121 3.367 1.00 0.00 O ATOM 587 CB ASP B 46 114.542 0.845 6.449 1.00 0.00 C ATOM 588 CG ASP B 46 113.761 1.520 7.584 1.00 0.00 C ATOM 589 OD1 ASP B 46 114.169 2.621 8.025 1.00 0.00 O ATOM 590 OD2 ASP B 46 112.735 0.953 8.033 1.00 0.00 O ATOM 0 H ASP B 46 112.637 -0.011 5.188 1.00 0.00 H new ATOM 0 HA ASP B 46 114.043 2.506 5.134 1.00 0.00 H new ATOM 0 HB2 ASP B 46 114.349 -0.228 6.460 1.00 0.00 H new ATOM 0 HB3 ASP B 46 115.612 0.978 6.612 1.00 0.00 H new ATOM 610 N GLY B 48 118.803 -0.116 2.266 1.00 0.00 N ATOM 611 CA GLY B 48 119.742 -1.228 2.386 1.00 0.00 C ATOM 612 C GLY B 48 121.018 -0.854 3.136 1.00 0.00 C ATOM 613 O GLY B 48 121.372 0.312 3.284 1.00 0.00 O ATOM 0 HA2 GLY B 48 119.253 -2.055 2.902 1.00 0.00 H new ATOM 0 HA3 GLY B 48 120.004 -1.584 1.390 1.00 0.00 H new ATOM 617 N ASP B 49 121.734 -1.865 3.628 1.00 0.00 N ATOM 618 CA ASP B 49 122.952 -1.700 4.421 1.00 0.00 C ATOM 619 C ASP B 49 124.193 -1.417 3.545 1.00 0.00 C ATOM 620 O ASP B 49 124.218 -1.808 2.366 1.00 0.00 O ATOM 621 CB ASP B 49 123.134 -2.992 5.223 1.00 0.00 C ATOM 622 CG ASP B 49 122.039 -3.224 6.277 1.00 0.00 C ATOM 623 OD1 ASP B 49 121.514 -2.244 6.856 1.00 0.00 O ATOM 624 OD2 ASP B 49 121.667 -4.398 6.496 1.00 0.00 O ATOM 0 H ASP B 49 121.478 -2.842 3.483 1.00 0.00 H new ATOM 0 HA ASP B 49 122.852 -0.835 5.076 1.00 0.00 H new ATOM 0 HB2 ASP B 49 123.149 -3.837 4.535 1.00 0.00 H new ATOM 0 HB3 ASP B 49 124.104 -2.968 5.719 1.00 0.00 H new ATOM 644 N GLY B 51 127.763 -1.767 1.684 1.00 0.00 N ATOM 645 CA GLY B 51 128.545 -2.874 1.123 1.00 0.00 C ATOM 646 C GLY B 51 129.797 -3.230 1.940 1.00 0.00 C ATOM 647 O GLY B 51 130.223 -2.482 2.825 1.00 0.00 O ATOM 0 HA2 GLY B 51 127.908 -3.755 1.050 1.00 0.00 H new ATOM 0 HA3 GLY B 51 128.847 -2.615 0.108 1.00 0.00 H new ATOM 651 N ASP B 52 130.395 -4.388 1.647 1.00 0.00 N ATOM 652 CA ASP B 52 131.591 -4.872 2.339 1.00 0.00 C ATOM 653 C ASP B 52 132.864 -4.038 2.049 1.00 0.00 C ATOM 654 O ASP B 52 133.058 -3.585 0.913 1.00 0.00 O ATOM 655 CB ASP B 52 131.809 -6.348 1.986 1.00 0.00 C ATOM 656 CG ASP B 52 130.901 -7.264 2.814 1.00 0.00 C ATOM 657 OD1 ASP B 52 131.252 -7.568 3.979 1.00 0.00 O ATOM 658 OD2 ASP B 52 129.826 -7.672 2.317 1.00 0.00 O ATOM 0 H ASP B 52 130.061 -5.019 0.919 1.00 0.00 H new ATOM 0 HA ASP B 52 131.414 -4.759 3.409 1.00 0.00 H new ATOM 0 HB2 ASP B 52 131.613 -6.502 0.925 1.00 0.00 H new ATOM 0 HB3 ASP B 52 132.852 -6.614 2.159 1.00 0.00 H new ATOM 678 N GLY B 54 136.697 -3.157 1.005 1.00 0.00 N ATOM 679 CA GLY B 54 137.646 -3.651 0.005 1.00 0.00 C ATOM 680 C GLY B 54 138.755 -4.560 0.548 1.00 0.00 C ATOM 681 O GLY B 54 139.020 -4.626 1.751 1.00 0.00 O ATOM 0 HA2 GLY B 54 137.092 -4.197 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY B 54 138.108 -2.795 -0.487 1.00 0.00 H new ATOM 685 N ASP B 55 139.421 -5.266 -0.368 1.00 0.00 N ATOM 686 CA ASP B 55 140.522 -6.180 -0.066 1.00 0.00 C ATOM 687 C ASP B 55 141.792 -5.442 0.421 1.00 0.00 C ATOM 688 O ASP B 55 142.055 -4.317 -0.026 1.00 0.00 O ATOM 689 CB ASP B 55 140.831 -6.985 -1.335 1.00 0.00 C ATOM 690 CG ASP B 55 139.727 -8.010 -1.640 1.00 0.00 C ATOM 691 OD1 ASP B 55 139.789 -9.140 -1.096 1.00 0.00 O ATOM 692 OD2 ASP B 55 138.800 -7.688 -2.424 1.00 0.00 O ATOM 0 H ASP B 55 139.204 -5.216 -1.363 1.00 0.00 H new ATOM 0 HA ASP B 55 140.216 -6.835 0.750 1.00 0.00 H new ATOM 0 HB2 ASP B 55 140.940 -6.305 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP B 55 141.784 -7.501 -1.216 1.00 0.00 H new ATOM 712 N GLY B 57 145.658 -4.172 0.587 1.00 0.00 N ATOM 713 CA GLY B 57 146.730 -3.900 -0.380 1.00 0.00 C ATOM 714 C GLY B 57 147.833 -4.973 -0.412 1.00 0.00 C ATOM 715 O GLY B 57 147.877 -5.876 0.427 1.00 0.00 O ATOM 0 HA2 GLY B 57 146.294 -3.813 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY B 57 147.182 -2.936 -0.144 1.00 0.00 H new ATOM 719 N ASP B 58 148.751 -4.872 -1.379 1.00 0.00 N ATOM 720 CA ASP B 58 149.940 -5.728 -1.456 1.00 0.00 C ATOM 721 C ASP B 58 151.023 -5.351 -0.416 1.00 0.00 C ATOM 722 O ASP B 58 151.061 -4.201 0.037 1.00 0.00 O ATOM 723 CB ASP B 58 150.505 -5.658 -2.880 1.00 0.00 C ATOM 724 CG ASP B 58 149.723 -6.565 -3.841 1.00 0.00 C ATOM 725 OD1 ASP B 58 149.803 -7.809 -3.697 1.00 0.00 O ATOM 726 OD2 ASP B 58 149.030 -6.039 -4.744 1.00 0.00 O ATOM 0 H ASP B 58 148.690 -4.190 -2.135 1.00 0.00 H new ATOM 0 HA ASP B 58 149.639 -6.748 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP B 58 150.467 -4.629 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP B 58 151.554 -5.954 -2.871 1.00 0.00 H new ATOM 898 N GLY C 74 103.473 -0.539 1.023 1.00 0.00 N ATOM 899 CA GLY C 74 104.456 0.505 0.713 1.00 0.00 C ATOM 900 C GLY C 74 105.621 0.015 -0.168 1.00 0.00 C ATOM 901 O GLY C 74 105.873 -1.194 -0.244 1.00 0.00 O ATOM 0 HA2 GLY C 74 103.951 1.329 0.208 1.00 0.00 H new ATOM 0 HA3 GLY C 74 104.859 0.901 1.645 1.00 0.00 H new ATOM 905 N PRO C 75 106.348 0.930 -0.839 1.00 0.00 N ATOM 906 CA PRO C 75 107.426 0.576 -1.765 1.00 0.00 C ATOM 907 C PRO C 75 108.697 0.077 -1.042 1.00 0.00 C ATOM 908 O PRO C 75 108.935 0.458 0.110 1.00 0.00 O ATOM 909 CB PRO C 75 107.703 1.858 -2.560 1.00 0.00 C ATOM 910 CG PRO C 75 107.310 2.973 -1.592 1.00 0.00 C ATOM 911 CD PRO C 75 106.125 2.370 -0.839 1.00 0.00 C ATOM 0 HA PRO C 75 107.132 -0.255 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO C 75 108.751 1.931 -2.851 1.00 0.00 H new ATOM 0 HB3 PRO C 75 107.114 1.897 -3.476 1.00 0.00 H new ATOM 0 HG2 PRO C 75 108.128 3.230 -0.919 1.00 0.00 H new ATOM 0 HG3 PRO C 75 107.032 3.886 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO C 75 106.070 2.757 0.178 1.00 0.00 H new ATOM 0 HD3 PRO C 75 105.183 2.620 -1.327 1.00 0.00 H new ATOM 934 N GLY C 77 112.614 0.055 0.142 1.00 0.00 N ATOM 935 CA GLY C 77 113.667 1.048 0.393 1.00 0.00 C ATOM 936 C GLY C 77 114.769 1.049 -0.688 1.00 0.00 C ATOM 937 O GLY C 77 114.879 0.086 -1.457 1.00 0.00 O ATOM 0 HA2 GLY C 77 113.218 2.040 0.446 1.00 0.00 H new ATOM 0 HA3 GLY C 77 114.120 0.851 1.365 1.00 0.00 H new ATOM 941 N PRO C 78 115.595 2.110 -0.768 1.00 0.00 N ATOM 942 CA PRO C 78 116.644 2.233 -1.785 1.00 0.00 C ATOM 943 C PRO C 78 117.840 1.289 -1.534 1.00 0.00 C ATOM 944 O PRO C 78 118.062 0.874 -0.389 1.00 0.00 O ATOM 945 CB PRO C 78 117.075 3.704 -1.731 1.00 0.00 C ATOM 946 CG PRO C 78 116.802 4.100 -0.281 1.00 0.00 C ATOM 947 CD PRO C 78 115.538 3.309 0.057 1.00 0.00 C ATOM 0 HA PRO C 78 116.270 1.942 -2.767 1.00 0.00 H new ATOM 0 HB2 PRO C 78 118.127 3.824 -1.989 1.00 0.00 H new ATOM 0 HB3 PRO C 78 116.504 4.316 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO C 78 117.632 3.834 0.374 1.00 0.00 H new ATOM 0 HG3 PRO C 78 116.646 5.174 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO C 78 115.506 3.055 1.116 1.00 0.00 H new ATOM 0 HD3 PRO C 78 114.642 3.891 -0.158 1.00 0.00 H new ATOM 970 N GLY C 80 121.629 0.112 -0.643 1.00 0.00 N ATOM 971 CA GLY C 80 122.675 0.586 0.272 1.00 0.00 C ATOM 972 C GLY C 80 123.906 1.174 -0.448 1.00 0.00 C ATOM 973 O GLY C 80 124.114 0.905 -1.637 1.00 0.00 O ATOM 0 HA2 GLY C 80 122.253 1.345 0.931 1.00 0.00 H new ATOM 0 HA3 GLY C 80 122.996 -0.242 0.904 1.00 0.00 H new ATOM 977 N PRO C 81 124.735 1.979 0.246 1.00 0.00 N ATOM 978 CA PRO C 81 125.905 2.634 -0.346 1.00 0.00 C ATOM 979 C PRO C 81 127.088 1.664 -0.571 1.00 0.00 C ATOM 980 O PRO C 81 127.166 0.627 0.097 1.00 0.00 O ATOM 981 CB PRO C 81 126.275 3.742 0.647 1.00 0.00 C ATOM 982 CG PRO C 81 125.826 3.176 1.992 1.00 0.00 C ATOM 983 CD PRO C 81 124.564 2.392 1.633 1.00 0.00 C ATOM 0 HA PRO C 81 125.677 3.019 -1.340 1.00 0.00 H new ATOM 0 HB2 PRO C 81 127.345 3.951 0.636 1.00 0.00 H new ATOM 0 HB3 PRO C 81 125.765 4.677 0.414 1.00 0.00 H new ATOM 0 HG2 PRO C 81 126.588 2.534 2.434 1.00 0.00 H new ATOM 0 HG3 PRO C 81 125.618 3.967 2.713 1.00 0.00 H new ATOM 0 HD2 PRO C 81 124.441 1.528 2.286 1.00 0.00 H new ATOM 0 HD3 PRO C 81 123.673 3.009 1.750 1.00 0.00 H new ATOM 1006 N GLY C 83 130.727 -0.071 -0.120 1.00 0.00 N ATOM 1007 CA GLY C 83 131.682 -0.296 0.969 1.00 0.00 C ATOM 1008 C GLY C 83 132.942 0.583 0.853 1.00 0.00 C ATOM 1009 O GLY C 83 133.247 1.089 -0.234 1.00 0.00 O ATOM 0 HA2 GLY C 83 131.192 -0.096 1.922 1.00 0.00 H new ATOM 0 HA3 GLY C 83 131.977 -1.345 0.976 1.00 0.00 H new ATOM 1013 N PRO C 84 133.692 0.779 1.954 1.00 0.00 N ATOM 1014 CA PRO C 84 134.881 1.632 1.970 1.00 0.00 C ATOM 1015 C PRO C 84 136.097 0.974 1.283 1.00 0.00 C ATOM 1016 O PRO C 84 136.145 -0.257 1.161 1.00 0.00 O ATOM 1017 CB PRO C 84 135.153 1.892 3.456 1.00 0.00 C ATOM 1018 CG PRO C 84 134.633 0.627 4.135 1.00 0.00 C ATOM 1019 CD PRO C 84 133.414 0.262 3.288 1.00 0.00 C ATOM 0 HA PRO C 84 134.714 2.551 1.408 1.00 0.00 H new ATOM 0 HB2 PRO C 84 136.215 2.045 3.650 1.00 0.00 H new ATOM 0 HB3 PRO C 84 134.633 2.782 3.811 1.00 0.00 H new ATOM 0 HG2 PRO C 84 135.379 -0.168 4.134 1.00 0.00 H new ATOM 0 HG3 PRO C 84 134.363 0.809 5.175 1.00 0.00 H new ATOM 0 HD2 PRO C 84 133.261 -0.817 3.266 1.00 0.00 H new ATOM 0 HD3 PRO C 84 132.506 0.704 3.698 1.00 0.00 H new ATOM 1042 N GLY C 86 139.726 -0.768 0.980 1.00 0.00 N ATOM 1043 CA GLY C 86 140.437 -1.740 1.814 1.00 0.00 C ATOM 1044 C GLY C 86 141.625 -1.147 2.593 1.00 0.00 C ATOM 1045 O GLY C 86 142.082 -0.037 2.288 1.00 0.00 O ATOM 0 HA2 GLY C 86 139.734 -2.178 2.522 1.00 0.00 H new ATOM 0 HA3 GLY C 86 140.799 -2.550 1.181 1.00 0.00 H new ATOM 1049 N PRO C 87 142.146 -1.874 3.599 1.00 0.00 N ATOM 1050 CA PRO C 87 143.252 -1.405 4.433 1.00 0.00 C ATOM 1051 C PRO C 87 144.602 -1.431 3.685 1.00 0.00 C ATOM 1052 O PRO C 87 144.754 -2.172 2.705 1.00 0.00 O ATOM 1053 CB PRO C 87 143.263 -2.354 5.638 1.00 0.00 C ATOM 1054 CG PRO C 87 142.723 -3.661 5.061 1.00 0.00 C ATOM 1055 CD PRO C 87 141.695 -3.189 4.034 1.00 0.00 C ATOM 0 HA PRO C 87 143.115 -0.364 4.726 1.00 0.00 H new ATOM 0 HB2 PRO C 87 144.267 -2.478 6.043 1.00 0.00 H new ATOM 0 HB3 PRO C 87 142.636 -1.983 6.448 1.00 0.00 H new ATOM 0 HG2 PRO C 87 143.512 -4.254 4.598 1.00 0.00 H new ATOM 0 HG3 PRO C 87 142.267 -4.283 5.831 1.00 0.00 H new ATOM 0 HD2 PRO C 87 141.636 -3.880 3.193 1.00 0.00 H new ATOM 0 HD3 PRO C 87 140.699 -3.136 4.473 1.00 0.00 H new ATOM 1078 N GLY C 89 148.282 -2.719 2.801 1.00 0.00 N ATOM 1079 CA GLY C 89 148.883 -4.055 2.792 1.00 0.00 C ATOM 1080 C GLY C 89 149.827 -4.322 3.980 1.00 0.00 C ATOM 1081 O GLY C 89 150.198 -3.388 4.702 1.00 0.00 O ATOM 0 HA2 GLY C 89 148.088 -4.801 2.798 1.00 0.00 H new ATOM 0 HA3 GLY C 89 149.437 -4.187 1.863 1.00 0.00 H new ATOM 1085 N PRO C 90 150.260 -5.585 4.179 1.00 0.00 N ATOM 1086 CA PRO C 90 151.171 -5.926 5.269 1.00 0.00 C ATOM 1087 C PRO C 90 152.566 -5.248 5.181 1.00 0.00 C ATOM 1088 O PRO C 90 153.054 -4.997 4.078 1.00 0.00 O ATOM 1089 CB PRO C 90 151.217 -7.463 5.343 1.00 0.00 C ATOM 1090 CG PRO C 90 150.300 -7.964 4.217 1.00 0.00 C ATOM 1091 CD PRO C 90 149.960 -6.748 3.361 1.00 0.00 C ATOM 0 HA PRO C 90 150.793 -5.518 6.206 1.00 0.00 H new ATOM 0 HB2 PRO C 90 152.235 -7.831 5.211 1.00 0.00 H new ATOM 0 HB3 PRO C 90 150.873 -7.818 6.314 1.00 0.00 H new ATOM 0 HG2 PRO C 90 150.799 -8.730 3.623 1.00 0.00 H new ATOM 0 HG3 PRO C 90 149.396 -8.416 4.625 1.00 0.00 H new ATOM 0 HD2 PRO C 90 150.547 -6.741 2.443 1.00 0.00 H new ATOM 0 HD3 PRO C 90 148.910 -6.758 3.068 1.00 0.00 H new