USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=6 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= 1.24 (180deg=1.18) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= 1.19 (180deg=0.878) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0.577) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.947) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.17) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 84.408 4.458 5.976 1.00 0.00 N ATOM 65 CA LYS A 6 85.599 4.303 5.120 1.00 0.00 C ATOM 66 C LYS A 6 86.699 3.448 5.778 1.00 0.00 C ATOM 67 O LYS A 6 86.924 3.531 6.989 1.00 0.00 O ATOM 68 CB LYS A 6 86.108 5.715 4.736 1.00 0.00 C ATOM 69 CG LYS A 6 87.373 5.686 3.865 1.00 0.00 C ATOM 70 CD LYS A 6 87.801 7.079 3.385 1.00 0.00 C ATOM 71 CE LYS A 6 89.184 6.958 2.729 1.00 0.00 C ATOM 72 NZ LYS A 6 89.739 8.273 2.314 1.00 0.00 N ATOM 0 HA LYS A 6 85.320 3.756 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 6 85.319 6.246 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 6 86.314 6.280 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 6 88.188 5.237 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 6 87.197 5.047 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.076 7.475 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 6 87.838 7.775 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.872 6.482 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 6 89.113 6.307 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.700 8.142 1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 89.134 8.688 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.771 8.911 3.135 1.00 0.00 H new ATOM 86 N GLY A 7 87.410 2.654 4.970 1.00 0.00 N ATOM 87 CA GLY A 7 88.526 1.811 5.418 1.00 0.00 C ATOM 88 C GLY A 7 89.824 2.582 5.736 1.00 0.00 C ATOM 89 O GLY A 7 90.029 3.687 5.224 1.00 0.00 O ATOM 0 H GLY A 7 87.224 2.577 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 7 88.216 1.264 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 88.738 1.071 4.646 1.00 0.00 H new ATOM 93 N PRO A 8 90.725 2.015 6.561 1.00 0.00 N ATOM 94 CA PRO A 8 91.982 2.653 6.960 1.00 0.00 C ATOM 95 C PRO A 8 93.038 2.671 5.843 1.00 0.00 C ATOM 96 O PRO A 8 93.029 1.842 4.927 1.00 0.00 O ATOM 97 CB PRO A 8 92.474 1.843 8.168 1.00 0.00 C ATOM 98 CG PRO A 8 91.903 0.451 7.912 1.00 0.00 C ATOM 99 CD PRO A 8 90.550 0.762 7.279 1.00 0.00 C ATOM 0 HA PRO A 8 91.817 3.705 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 8 93.562 1.827 8.226 1.00 0.00 H new ATOM 0 HB3 PRO A 8 92.111 2.260 9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 8 92.539 -0.132 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 8 91.798 -0.121 8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 8 90.242 -0.036 6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 8 89.774 0.852 8.039 1.00 0.00 H new ATOM 107 N LYS A 9 93.993 3.603 5.961 1.00 0.00 N ATOM 108 CA LYS A 9 95.200 3.693 5.123 1.00 0.00 C ATOM 109 C LYS A 9 96.031 2.397 5.188 1.00 0.00 C ATOM 110 O LYS A 9 96.155 1.785 6.253 1.00 0.00 O ATOM 111 CB LYS A 9 95.999 4.933 5.578 1.00 0.00 C ATOM 112 CG LYS A 9 97.256 5.186 4.734 1.00 0.00 C ATOM 113 CD LYS A 9 97.935 6.506 5.122 1.00 0.00 C ATOM 114 CE LYS A 9 99.281 6.639 4.398 1.00 0.00 C ATOM 115 NZ LYS A 9 99.986 7.894 4.771 1.00 0.00 N ATOM 0 H LYS A 9 93.947 4.340 6.665 1.00 0.00 H new ATOM 0 HA LYS A 9 94.926 3.807 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 9 95.354 5.810 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 9 96.289 4.808 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 9 97.957 4.362 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 9 96.988 5.210 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 9 97.290 7.346 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 9 98.088 6.542 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 9 99.910 5.783 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 9 99.118 6.620 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 100.981 7.835 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 99.531 8.701 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 99.940 8.025 5.802 1.00 0.00 H new ATOM 129 N GLY A 10 96.598 1.983 4.051 1.00 0.00 N ATOM 130 CA GLY A 10 97.370 0.742 3.918 1.00 0.00 C ATOM 131 C GLY A 10 98.721 0.730 4.660 1.00 0.00 C ATOM 132 O GLY A 10 99.200 1.780 5.103 1.00 0.00 O ATOM 0 H GLY A 10 96.533 2.510 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 10 96.764 -0.086 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 10 97.553 0.558 2.859 1.00 0.00 H new ATOM 136 N PRO A 11 99.355 -0.451 4.800 1.00 0.00 N ATOM 137 CA PRO A 11 100.611 -0.614 5.534 1.00 0.00 C ATOM 138 C PRO A 11 101.827 -0.067 4.769 1.00 0.00 C ATOM 139 O PRO A 11 101.838 0.013 3.536 1.00 0.00 O ATOM 140 CB PRO A 11 100.736 -2.122 5.777 1.00 0.00 C ATOM 141 CG PRO A 11 100.019 -2.728 4.573 1.00 0.00 C ATOM 142 CD PRO A 11 98.877 -1.743 4.323 1.00 0.00 C ATOM 0 HA PRO A 11 100.595 -0.043 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 11 101.778 -2.437 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 11 100.269 -2.419 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 11 100.679 -2.809 3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 11 99.648 -3.731 4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 11 98.623 -1.699 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 11 97.975 -2.047 4.855 1.00 0.00 H new ATOM 150 N LYS A 12 102.884 0.273 5.517 1.00 0.00 N ATOM 151 CA LYS A 12 104.178 0.732 4.983 1.00 0.00 C ATOM 152 C LYS A 12 104.787 -0.300 4.013 1.00 0.00 C ATOM 153 O LYS A 12 104.737 -1.506 4.271 1.00 0.00 O ATOM 154 CB LYS A 12 105.107 1.038 6.174 1.00 0.00 C ATOM 155 CG LYS A 12 106.391 1.766 5.755 1.00 0.00 C ATOM 156 CD LYS A 12 107.276 2.103 6.963 1.00 0.00 C ATOM 157 CE LYS A 12 108.364 3.104 6.554 1.00 0.00 C ATOM 158 NZ LYS A 12 109.334 3.338 7.655 1.00 0.00 N ATOM 0 H LYS A 12 102.865 0.237 6.536 1.00 0.00 H new ATOM 0 HA LYS A 12 104.039 1.640 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 12 104.570 1.648 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.370 0.105 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 12 106.951 1.143 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 12 106.133 2.684 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 12 106.667 2.522 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 12 107.735 1.194 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 12 108.892 2.730 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 12 107.901 4.049 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.883 4.199 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 108.820 3.454 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 109.979 2.525 7.728 1.00 0.00 H new ATOM 172 N GLY A 13 105.354 0.174 2.901 1.00 0.00 N ATOM 173 CA GLY A 13 105.945 -0.658 1.847 1.00 0.00 C ATOM 174 C GLY A 13 107.208 -1.435 2.267 1.00 0.00 C ATOM 175 O GLY A 13 107.779 -1.173 3.332 1.00 0.00 O ATOM 0 H GLY A 13 105.417 1.173 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 13 105.195 -1.370 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 13 106.193 -0.021 0.998 1.00 0.00 H new ATOM 179 N PRO A 14 107.666 -2.394 1.439 1.00 0.00 N ATOM 180 CA PRO A 14 108.806 -3.255 1.758 1.00 0.00 C ATOM 181 C PRO A 14 110.151 -2.512 1.688 1.00 0.00 C ATOM 182 O PRO A 14 110.358 -1.627 0.852 1.00 0.00 O ATOM 183 CB PRO A 14 108.737 -4.401 0.741 1.00 0.00 C ATOM 184 CG PRO A 14 108.063 -3.759 -0.469 1.00 0.00 C ATOM 185 CD PRO A 14 107.074 -2.782 0.165 1.00 0.00 C ATOM 0 HA PRO A 14 108.750 -3.614 2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 14 109.729 -4.780 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 14 108.160 -5.243 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 14 108.783 -3.247 -1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 14 107.557 -4.499 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 14 106.917 -1.913 -0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 14 106.101 -3.250 0.312 1.00 0.00 H new ATOM 193 N LYS A 15 111.088 -2.908 2.558 1.00 0.00 N ATOM 194 CA LYS A 15 112.472 -2.401 2.603 1.00 0.00 C ATOM 195 C LYS A 15 113.195 -2.621 1.261 1.00 0.00 C ATOM 196 O LYS A 15 113.038 -3.671 0.630 1.00 0.00 O ATOM 197 CB LYS A 15 113.187 -3.097 3.779 1.00 0.00 C ATOM 198 CG LYS A 15 114.603 -2.562 4.035 1.00 0.00 C ATOM 199 CD LYS A 15 115.195 -3.188 5.308 1.00 0.00 C ATOM 200 CE LYS A 15 116.664 -2.805 5.550 1.00 0.00 C ATOM 201 NZ LYS A 15 116.844 -1.363 5.879 1.00 0.00 N ATOM 0 H LYS A 15 110.902 -3.611 3.273 1.00 0.00 H new ATOM 0 HA LYS A 15 112.478 -1.323 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 15 112.590 -2.972 4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 15 113.242 -4.167 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 15 115.242 -2.787 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 15 114.575 -1.477 4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 15 114.600 -2.878 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 15 115.116 -4.273 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 15 117.062 -3.410 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 15 117.247 -3.045 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 117.854 -1.165 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 116.492 -0.781 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 116.312 -1.135 6.743 1.00 0.00 H new ATOM 215 N GLY A 16 113.979 -1.632 0.826 1.00 0.00 N ATOM 216 CA GLY A 16 114.686 -1.651 -0.463 1.00 0.00 C ATOM 217 C GLY A 16 115.818 -2.695 -0.575 1.00 0.00 C ATOM 218 O GLY A 16 116.237 -3.269 0.436 1.00 0.00 O ATOM 0 H GLY A 16 114.145 -0.782 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 16 113.961 -1.838 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 16 115.106 -0.662 -0.644 1.00 0.00 H new ATOM 222 N PRO A 17 116.336 -2.950 -1.794 1.00 0.00 N ATOM 223 CA PRO A 17 117.411 -3.918 -2.037 1.00 0.00 C ATOM 224 C PRO A 17 118.792 -3.393 -1.603 1.00 0.00 C ATOM 225 O PRO A 17 119.039 -2.187 -1.576 1.00 0.00 O ATOM 226 CB PRO A 17 117.358 -4.192 -3.544 1.00 0.00 C ATOM 227 CG PRO A 17 116.848 -2.874 -4.122 1.00 0.00 C ATOM 228 CD PRO A 17 115.879 -2.372 -3.052 1.00 0.00 C ATOM 0 HA PRO A 17 117.268 -4.823 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 17 118.339 -4.452 -3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 17 116.689 -5.020 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 17 117.661 -2.168 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 17 116.349 -3.021 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 17 115.880 -1.283 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 17 114.858 -2.680 -3.275 1.00 0.00 H new ATOM 236 N LYS A 18 119.713 -4.306 -1.277 1.00 0.00 N ATOM 237 CA LYS A 18 121.082 -4.014 -0.804 1.00 0.00 C ATOM 238 C LYS A 18 121.929 -3.219 -1.822 1.00 0.00 C ATOM 239 O LYS A 18 121.782 -3.390 -3.035 1.00 0.00 O ATOM 240 CB LYS A 18 121.726 -5.368 -0.448 1.00 0.00 C ATOM 241 CG LYS A 18 123.132 -5.255 0.155 1.00 0.00 C ATOM 242 CD LYS A 18 123.613 -6.631 0.633 1.00 0.00 C ATOM 243 CE LYS A 18 125.111 -6.583 0.946 1.00 0.00 C ATOM 244 NZ LYS A 18 125.615 -7.905 1.400 1.00 0.00 N ATOM 0 H LYS A 18 119.525 -5.307 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 18 121.036 -3.360 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.081 -5.890 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.777 -5.982 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 18 123.824 -4.857 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 18 123.123 -4.554 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.057 -6.931 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.417 -7.380 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 18 125.659 -6.269 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 18 125.299 -5.836 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.573 -8.059 1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.642 -7.928 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.983 -8.655 1.054 1.00 0.00 H new ATOM 258 N GLY A 19 122.837 -2.374 -1.321 1.00 0.00 N ATOM 259 CA GLY A 19 123.746 -1.541 -2.127 1.00 0.00 C ATOM 260 C GLY A 19 125.001 -2.255 -2.680 1.00 0.00 C ATOM 261 O GLY A 19 125.258 -3.415 -2.340 1.00 0.00 O ATOM 0 H GLY A 19 122.966 -2.245 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 19 123.184 -1.132 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 19 124.070 -0.697 -1.518 1.00 0.00 H new ATOM 265 N PRO A 20 125.794 -1.580 -3.539 1.00 0.00 N ATOM 266 CA PRO A 20 126.974 -2.154 -4.204 1.00 0.00 C ATOM 267 C PRO A 20 128.238 -2.182 -3.321 1.00 0.00 C ATOM 268 O PRO A 20 128.428 -1.334 -2.446 1.00 0.00 O ATOM 269 CB PRO A 20 127.193 -1.262 -5.432 1.00 0.00 C ATOM 270 CG PRO A 20 126.707 0.107 -4.959 1.00 0.00 C ATOM 271 CD PRO A 20 125.523 -0.245 -4.060 1.00 0.00 C ATOM 0 HA PRO A 20 126.798 -3.201 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 20 128.241 -1.237 -5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 20 126.626 -1.615 -6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 20 127.483 0.645 -4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 20 126.407 0.740 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 20 125.421 0.476 -3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 20 124.589 -0.228 -4.621 1.00 0.00 H new ATOM 279 N LYS A 21 129.139 -3.140 -3.582 1.00 0.00 N ATOM 280 CA LYS A 21 130.446 -3.293 -2.905 1.00 0.00 C ATOM 281 C LYS A 21 131.321 -2.028 -3.020 1.00 0.00 C ATOM 282 O LYS A 21 131.334 -1.364 -4.060 1.00 0.00 O ATOM 283 CB LYS A 21 131.152 -4.530 -3.499 1.00 0.00 C ATOM 284 CG LYS A 21 132.489 -4.879 -2.822 1.00 0.00 C ATOM 285 CD LYS A 21 133.098 -6.142 -3.451 1.00 0.00 C ATOM 286 CE LYS A 21 134.553 -6.387 -3.022 1.00 0.00 C ATOM 287 NZ LYS A 21 134.691 -6.810 -1.602 1.00 0.00 N ATOM 0 H LYS A 21 128.978 -3.855 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 21 130.281 -3.435 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 21 130.484 -5.388 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 21 131.329 -4.358 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 21 133.183 -4.045 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 21 132.333 -5.036 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 21 132.494 -7.006 -3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 21 133.055 -6.057 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 21 134.989 -7.152 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 21 135.128 -5.474 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 135.679 -7.072 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 134.415 -6.026 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 134.075 -7.629 -1.422 1.00 0.00 H new ATOM 301 N GLY A 22 132.071 -1.716 -1.959 1.00 0.00 N ATOM 302 CA GLY A 22 132.972 -0.555 -1.895 1.00 0.00 C ATOM 303 C GLY A 22 134.260 -0.676 -2.737 1.00 0.00 C ATOM 304 O GLY A 22 134.606 -1.772 -3.191 1.00 0.00 O ATOM 0 H GLY A 22 132.071 -2.272 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 22 132.424 0.328 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 22 133.251 -0.389 -0.855 1.00 0.00 H new ATOM 308 N PRO A 23 134.992 0.437 -2.949 1.00 0.00 N ATOM 309 CA PRO A 23 136.222 0.468 -3.748 1.00 0.00 C ATOM 310 C PRO A 23 137.451 -0.076 -2.994 1.00 0.00 C ATOM 311 O PRO A 23 137.517 -0.052 -1.763 1.00 0.00 O ATOM 312 CB PRO A 23 136.407 1.944 -4.117 1.00 0.00 C ATOM 313 CG PRO A 23 135.806 2.678 -2.920 1.00 0.00 C ATOM 314 CD PRO A 23 134.631 1.784 -2.524 1.00 0.00 C ATOM 0 HA PRO A 23 136.134 -0.180 -4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 23 137.458 2.196 -4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 23 135.892 2.195 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 23 136.525 2.783 -2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 23 135.477 3.683 -3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 23 134.458 1.821 -1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 23 133.711 2.112 -3.007 1.00 0.00 H new ATOM 322 N LYS A 24 138.457 -0.541 -3.745 1.00 0.00 N ATOM 323 CA LYS A 24 139.737 -1.066 -3.231 1.00 0.00 C ATOM 324 C LYS A 24 140.483 -0.048 -2.344 1.00 0.00 C ATOM 325 O LYS A 24 140.495 1.150 -2.638 1.00 0.00 O ATOM 326 CB LYS A 24 140.580 -1.500 -4.447 1.00 0.00 C ATOM 327 CG LYS A 24 141.934 -2.121 -4.075 1.00 0.00 C ATOM 328 CD LYS A 24 142.612 -2.701 -5.324 1.00 0.00 C ATOM 329 CE LYS A 24 144.064 -3.086 -5.018 1.00 0.00 C ATOM 330 NZ LYS A 24 144.728 -3.681 -6.207 1.00 0.00 N ATOM 0 H LYS A 24 138.405 -0.565 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 24 139.548 -1.918 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 24 140.010 -2.220 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 24 140.752 -0.634 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 24 142.576 -1.366 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 24 141.791 -2.906 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 24 142.063 -3.577 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 24 142.586 -1.969 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 144.616 -2.203 -4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 24 144.087 -3.797 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 145.748 -3.774 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 144.323 -4.620 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 144.579 -3.066 -7.032 1.00 0.00 H new ATOM 344 N GLY A 25 141.121 -0.532 -1.274 1.00 0.00 N ATOM 345 CA GLY A 25 141.890 0.286 -0.326 1.00 0.00 C ATOM 346 C GLY A 25 143.244 0.796 -0.859 1.00 0.00 C ATOM 347 O GLY A 25 143.715 0.336 -1.904 1.00 0.00 O ATOM 0 H GLY A 25 141.118 -1.524 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 25 141.284 1.144 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 25 142.068 -0.300 0.576 1.00 0.00 H new ATOM 351 N PRO A 26 143.889 1.745 -0.152 1.00 0.00 N ATOM 352 CA PRO A 26 145.148 2.359 -0.580 1.00 0.00 C ATOM 353 C PRO A 26 146.365 1.439 -0.379 1.00 0.00 C ATOM 354 O PRO A 26 146.374 0.561 0.488 1.00 0.00 O ATOM 355 CB PRO A 26 145.267 3.635 0.262 1.00 0.00 C ATOM 356 CG PRO A 26 144.557 3.260 1.560 1.00 0.00 C ATOM 357 CD PRO A 26 143.416 2.363 1.081 1.00 0.00 C ATOM 0 HA PRO A 26 145.138 2.563 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 26 146.308 3.908 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 26 144.792 4.486 -0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 26 145.222 2.736 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 26 144.185 4.140 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 26 143.172 1.608 1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 26 142.510 2.943 0.905 1.00 0.00 H new ATOM 365 N LYS A 27 147.424 1.671 -1.163 1.00 0.00 N ATOM 366 CA LYS A 27 148.722 0.979 -1.056 1.00 0.00 C ATOM 367 C LYS A 27 149.342 1.135 0.350 1.00 0.00 C ATOM 368 O LYS A 27 149.234 2.197 0.969 1.00 0.00 O ATOM 369 CB LYS A 27 149.629 1.525 -2.183 1.00 0.00 C ATOM 370 CG LYS A 27 151.037 0.913 -2.166 1.00 0.00 C ATOM 371 CD LYS A 27 151.716 0.901 -3.542 1.00 0.00 C ATOM 372 CE LYS A 27 151.201 -0.287 -4.369 1.00 0.00 C ATOM 373 NZ LYS A 27 151.744 -0.269 -5.757 1.00 0.00 N ATOM 0 H LYS A 27 147.405 2.364 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 27 148.596 -0.096 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 27 149.163 1.324 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 27 149.708 2.608 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 27 151.659 1.472 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 27 150.976 -0.109 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 27 151.513 1.835 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 27 152.797 0.831 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 27 151.482 -1.220 -3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 27 150.112 -0.261 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 151.375 -1.085 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 151.455 0.610 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 152.782 -0.319 -5.724 1.00 0.00 H new ATOM 387 N GLY A 28 149.967 0.065 0.857 1.00 0.00 N ATOM 388 CA GLY A 28 150.435 -0.038 2.248 1.00 0.00 C ATOM 389 C GLY A 28 151.632 0.856 2.642 1.00 0.00 C ATOM 390 O GLY A 28 152.274 1.465 1.778 1.00 0.00 O ATOM 0 H GLY A 28 150.166 -0.769 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 149.600 0.200 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 28 150.707 -1.076 2.440 1.00 0.00 H new ATOM 394 N PRO A 29 151.955 0.924 3.951 1.00 0.00 N ATOM 395 CA PRO A 29 153.080 1.692 4.499 1.00 0.00 C ATOM 396 C PRO A 29 154.434 0.963 4.363 1.00 0.00 C ATOM 397 O PRO A 29 154.495 -0.194 3.941 1.00 0.00 O ATOM 398 CB PRO A 29 152.702 1.897 5.973 1.00 0.00 C ATOM 399 CG PRO A 29 151.970 0.602 6.318 1.00 0.00 C ATOM 400 CD PRO A 29 151.204 0.294 5.033 1.00 0.00 C ATOM 0 HA PRO A 29 153.227 2.627 3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 29 153.582 2.043 6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 29 152.065 2.771 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 29 152.664 -0.198 6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 29 151.300 0.730 7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 29 151.123 -0.782 4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 29 150.188 0.686 5.082 1.00 0.00 H new ATOM 508 N GLY B 39 89.998 2.338 1.639 1.00 0.00 N ATOM 509 CA GLY B 39 91.105 3.113 2.209 1.00 0.00 C ATOM 510 C GLY B 39 92.211 3.478 1.205 1.00 0.00 C ATOM 511 O GLY B 39 92.315 2.902 0.119 1.00 0.00 O ATOM 0 HA2 GLY B 39 90.705 4.031 2.640 1.00 0.00 H new ATOM 0 HA3 GLY B 39 91.547 2.544 3.027 1.00 0.00 H new ATOM 515 N ASP B 40 93.046 4.453 1.575 1.00 0.00 N ATOM 516 CA ASP B 40 94.128 4.998 0.744 1.00 0.00 C ATOM 517 C ASP B 40 95.431 4.153 0.764 1.00 0.00 C ATOM 518 O ASP B 40 95.702 3.472 1.759 1.00 0.00 O ATOM 519 CB ASP B 40 94.415 6.422 1.240 1.00 0.00 C ATOM 520 CG ASP B 40 93.287 7.392 0.851 1.00 0.00 C ATOM 521 OD1 ASP B 40 93.273 7.861 -0.312 1.00 0.00 O ATOM 522 OD2 ASP B 40 92.408 7.686 1.698 1.00 0.00 O ATOM 0 H ASP B 40 92.987 4.900 2.490 1.00 0.00 H new ATOM 0 HA ASP B 40 93.795 4.983 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP B 40 94.532 6.414 2.324 1.00 0.00 H new ATOM 0 HB3 ASP B 40 95.358 6.772 0.820 1.00 0.00 H new ATOM 542 N GLY B 42 99.363 2.859 1.199 1.00 0.00 N ATOM 543 CA GLY B 42 100.370 2.969 2.263 1.00 0.00 C ATOM 544 C GLY B 42 101.588 3.852 1.945 1.00 0.00 C ATOM 545 O GLY B 42 101.802 4.281 0.809 1.00 0.00 O ATOM 0 HA2 GLY B 42 99.885 3.361 3.157 1.00 0.00 H new ATOM 0 HA3 GLY B 42 100.725 1.967 2.506 1.00 0.00 H new ATOM 549 N ASP B 43 102.403 4.118 2.971 1.00 0.00 N ATOM 550 CA ASP B 43 103.625 4.924 2.887 1.00 0.00 C ATOM 551 C ASP B 43 104.818 4.145 2.277 1.00 0.00 C ATOM 552 O ASP B 43 104.877 2.921 2.427 1.00 0.00 O ATOM 553 CB ASP B 43 103.975 5.381 4.308 1.00 0.00 C ATOM 554 CG ASP B 43 102.967 6.395 4.868 1.00 0.00 C ATOM 555 OD1 ASP B 43 102.699 7.429 4.210 1.00 0.00 O ATOM 556 OD2 ASP B 43 102.418 6.161 5.970 1.00 0.00 O ATOM 0 H ASP B 43 102.225 3.767 3.912 1.00 0.00 H new ATOM 0 HA ASP B 43 103.440 5.770 2.225 1.00 0.00 H new ATOM 0 HB2 ASP B 43 104.014 4.513 4.966 1.00 0.00 H new ATOM 0 HB3 ASP B 43 104.970 5.826 4.308 1.00 0.00 H new ATOM 576 N GLY B 45 108.493 2.298 1.515 1.00 0.00 N ATOM 577 CA GLY B 45 109.459 1.481 2.259 1.00 0.00 C ATOM 578 C GLY B 45 110.742 2.212 2.680 1.00 0.00 C ATOM 579 O GLY B 45 111.112 3.247 2.119 1.00 0.00 O ATOM 0 HA2 GLY B 45 108.971 1.092 3.153 1.00 0.00 H new ATOM 0 HA3 GLY B 45 109.733 0.622 1.646 1.00 0.00 H new ATOM 583 N ASP B 46 111.443 1.647 3.668 1.00 0.00 N ATOM 584 CA ASP B 46 112.748 2.126 4.132 1.00 0.00 C ATOM 585 C ASP B 46 113.882 1.797 3.130 1.00 0.00 C ATOM 586 O ASP B 46 113.792 0.790 2.418 1.00 0.00 O ATOM 587 CB ASP B 46 113.038 1.479 5.494 1.00 0.00 C ATOM 588 CG ASP B 46 112.195 2.106 6.613 1.00 0.00 C ATOM 589 OD1 ASP B 46 112.383 3.308 6.916 1.00 0.00 O ATOM 590 OD2 ASP B 46 111.325 1.415 7.195 1.00 0.00 O ATOM 0 H ASP B 46 111.112 0.828 4.177 1.00 0.00 H new ATOM 0 HA ASP B 46 112.713 3.212 4.219 1.00 0.00 H new ATOM 0 HB2 ASP B 46 112.833 0.410 5.440 1.00 0.00 H new ATOM 0 HB3 ASP B 46 114.096 1.589 5.731 1.00 0.00 H new ATOM 610 N GLY B 48 117.411 0.353 1.470 1.00 0.00 N ATOM 611 CA GLY B 48 118.138 -0.917 1.556 1.00 0.00 C ATOM 612 C GLY B 48 119.387 -0.894 2.446 1.00 0.00 C ATOM 613 O GLY B 48 119.885 0.161 2.844 1.00 0.00 O ATOM 0 HA2 GLY B 48 117.458 -1.682 1.931 1.00 0.00 H new ATOM 0 HA3 GLY B 48 118.433 -1.218 0.551 1.00 0.00 H new ATOM 617 N ASP B 49 119.901 -2.086 2.756 1.00 0.00 N ATOM 618 CA ASP B 49 121.121 -2.284 3.542 1.00 0.00 C ATOM 619 C ASP B 49 122.395 -1.833 2.789 1.00 0.00 C ATOM 620 O ASP B 49 122.422 -1.868 1.552 1.00 0.00 O ATOM 621 CB ASP B 49 121.206 -3.773 3.901 1.00 0.00 C ATOM 622 CG ASP B 49 120.126 -4.181 4.916 1.00 0.00 C ATOM 623 OD1 ASP B 49 120.139 -3.660 6.057 1.00 0.00 O ATOM 624 OD2 ASP B 49 119.258 -5.020 4.575 1.00 0.00 O ATOM 0 H ASP B 49 119.470 -2.962 2.460 1.00 0.00 H new ATOM 0 HA ASP B 49 121.069 -1.666 4.438 1.00 0.00 H new ATOM 0 HB2 ASP B 49 121.098 -4.371 2.996 1.00 0.00 H new ATOM 0 HB3 ASP B 49 122.192 -3.992 4.312 1.00 0.00 H new ATOM 644 N GLY B 51 126.094 -1.872 1.003 1.00 0.00 N ATOM 645 CA GLY B 51 126.971 -2.827 0.321 1.00 0.00 C ATOM 646 C GLY B 51 128.146 -3.314 1.184 1.00 0.00 C ATOM 647 O GLY B 51 128.459 -2.739 2.230 1.00 0.00 O ATOM 0 HA2 GLY B 51 126.381 -3.688 0.007 1.00 0.00 H new ATOM 0 HA3 GLY B 51 127.364 -2.363 -0.584 1.00 0.00 H new ATOM 651 N ASP B 52 128.812 -4.385 0.745 1.00 0.00 N ATOM 652 CA ASP B 52 129.973 -4.954 1.436 1.00 0.00 C ATOM 653 C ASP B 52 131.231 -4.060 1.350 1.00 0.00 C ATOM 654 O ASP B 52 131.401 -3.335 0.363 1.00 0.00 O ATOM 655 CB ASP B 52 130.266 -6.341 0.851 1.00 0.00 C ATOM 656 CG ASP B 52 129.325 -7.399 1.441 1.00 0.00 C ATOM 657 OD1 ASP B 52 129.588 -7.878 2.569 1.00 0.00 O ATOM 658 OD2 ASP B 52 128.308 -7.744 0.794 1.00 0.00 O ATOM 0 H ASP B 52 128.559 -4.886 -0.107 1.00 0.00 H new ATOM 0 HA ASP B 52 129.725 -5.026 2.495 1.00 0.00 H new ATOM 0 HB2 ASP B 52 130.153 -6.313 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP B 52 131.301 -6.615 1.057 1.00 0.00 H new ATOM 678 N GLY B 54 135.014 -2.739 0.546 1.00 0.00 N ATOM 679 CA GLY B 54 136.021 -2.924 -0.500 1.00 0.00 C ATOM 680 C GLY B 54 137.182 -3.832 -0.071 1.00 0.00 C ATOM 681 O GLY B 54 137.378 -4.112 1.114 1.00 0.00 O ATOM 0 HA2 GLY B 54 135.544 -3.349 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY B 54 136.418 -1.951 -0.789 1.00 0.00 H new ATOM 685 N ASP B 55 137.960 -4.305 -1.044 1.00 0.00 N ATOM 686 CA ASP B 55 139.077 -5.219 -0.814 1.00 0.00 C ATOM 687 C ASP B 55 140.357 -4.484 -0.351 1.00 0.00 C ATOM 688 O ASP B 55 140.534 -3.303 -0.677 1.00 0.00 O ATOM 689 CB ASP B 55 139.322 -5.980 -2.122 1.00 0.00 C ATOM 690 CG ASP B 55 138.178 -6.941 -2.500 1.00 0.00 C ATOM 691 OD1 ASP B 55 137.426 -7.407 -1.608 1.00 0.00 O ATOM 692 OD2 ASP B 55 138.018 -7.230 -3.709 1.00 0.00 O ATOM 0 H ASP B 55 137.830 -4.061 -2.026 1.00 0.00 H new ATOM 0 HA ASP B 55 138.824 -5.905 -0.006 1.00 0.00 H new ATOM 0 HB2 ASP B 55 139.464 -5.262 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP B 55 140.248 -6.548 -2.034 1.00 0.00 H new ATOM 712 N GLY B 57 144.183 -2.955 -0.052 1.00 0.00 N ATOM 713 CA GLY B 57 145.225 -2.457 -0.960 1.00 0.00 C ATOM 714 C GLY B 57 146.405 -3.426 -1.157 1.00 0.00 C ATOM 715 O GLY B 57 146.513 -4.456 -0.488 1.00 0.00 O ATOM 0 HA2 GLY B 57 144.776 -2.247 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY B 57 145.606 -1.512 -0.574 1.00 0.00 H new ATOM 719 N ASP B 58 147.316 -3.088 -2.074 1.00 0.00 N ATOM 720 CA ASP B 58 148.547 -3.848 -2.333 1.00 0.00 C ATOM 721 C ASP B 58 149.684 -3.540 -1.327 1.00 0.00 C ATOM 722 O ASP B 58 149.669 -2.477 -0.693 1.00 0.00 O ATOM 723 CB ASP B 58 149.000 -3.555 -3.770 1.00 0.00 C ATOM 724 CG ASP B 58 148.205 -4.383 -4.789 1.00 0.00 C ATOM 725 OD1 ASP B 58 148.374 -5.625 -4.822 1.00 0.00 O ATOM 726 OD2 ASP B 58 147.413 -3.796 -5.564 1.00 0.00 O ATOM 0 H ASP B 58 147.219 -2.265 -2.669 1.00 0.00 H new ATOM 0 HA ASP B 58 148.323 -4.907 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP B 58 148.873 -2.494 -3.984 1.00 0.00 H new ATOM 0 HB3 ASP B 58 150.063 -3.776 -3.870 1.00 0.00 H new ATOM 898 N GLY C 74 102.127 0.272 0.582 1.00 0.00 N ATOM 899 CA GLY C 74 102.931 1.333 -0.036 1.00 0.00 C ATOM 900 C GLY C 74 104.027 0.821 -0.993 1.00 0.00 C ATOM 901 O GLY C 74 104.336 -0.377 -0.991 1.00 0.00 O ATOM 0 HA2 GLY C 74 102.269 2.002 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY C 74 103.399 1.924 0.751 1.00 0.00 H new ATOM 905 N PRO C 75 104.626 1.703 -1.820 1.00 0.00 N ATOM 906 CA PRO C 75 105.700 1.327 -2.743 1.00 0.00 C ATOM 907 C PRO C 75 107.007 0.883 -2.040 1.00 0.00 C ATOM 908 O PRO C 75 107.267 1.315 -0.911 1.00 0.00 O ATOM 909 CB PRO C 75 105.927 2.534 -3.664 1.00 0.00 C ATOM 910 CG PRO C 75 105.003 3.646 -3.164 1.00 0.00 C ATOM 911 CD PRO C 75 104.359 3.133 -1.878 1.00 0.00 C ATOM 0 HA PRO C 75 105.398 0.445 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO C 75 106.969 2.853 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO C 75 105.701 2.279 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO C 75 105.564 4.562 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO C 75 104.244 3.883 -3.909 1.00 0.00 H new ATOM 0 HD2 PRO C 75 104.775 3.640 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO C 75 103.286 3.327 -1.878 1.00 0.00 H new ATOM 934 N GLY C 77 111.021 0.691 -0.871 1.00 0.00 N ATOM 935 CA GLY C 77 112.115 1.632 -0.595 1.00 0.00 C ATOM 936 C GLY C 77 113.234 1.603 -1.656 1.00 0.00 C ATOM 937 O GLY C 77 113.313 0.654 -2.445 1.00 0.00 O ATOM 0 HA2 GLY C 77 111.709 2.642 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY C 77 112.544 1.402 0.380 1.00 0.00 H new ATOM 941 N PRO C 78 114.114 2.624 -1.692 1.00 0.00 N ATOM 942 CA PRO C 78 115.189 2.729 -2.682 1.00 0.00 C ATOM 943 C PRO C 78 116.362 1.764 -2.401 1.00 0.00 C ATOM 944 O PRO C 78 116.531 1.315 -1.259 1.00 0.00 O ATOM 945 CB PRO C 78 115.647 4.191 -2.607 1.00 0.00 C ATOM 946 CG PRO C 78 115.382 4.566 -1.150 1.00 0.00 C ATOM 947 CD PRO C 78 114.101 3.798 -0.828 1.00 0.00 C ATOM 0 HA PRO C 78 114.834 2.448 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO C 78 116.701 4.296 -2.865 1.00 0.00 H new ATOM 0 HB3 PRO C 78 115.086 4.824 -3.294 1.00 0.00 H new ATOM 0 HG2 PRO C 78 116.205 4.269 -0.500 1.00 0.00 H new ATOM 0 HG3 PRO C 78 115.250 5.641 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO C 78 114.072 3.510 0.223 1.00 0.00 H new ATOM 0 HD3 PRO C 78 113.220 4.412 -1.015 1.00 0.00 H new ATOM 970 N GLY C 80 120.008 0.456 -1.317 1.00 0.00 N ATOM 971 CA GLY C 80 120.926 0.831 -0.239 1.00 0.00 C ATOM 972 C GLY C 80 122.219 1.515 -0.722 1.00 0.00 C ATOM 973 O GLY C 80 122.542 1.470 -1.916 1.00 0.00 O ATOM 0 HA2 GLY C 80 120.408 1.501 0.448 1.00 0.00 H new ATOM 0 HA3 GLY C 80 121.190 -0.063 0.326 1.00 0.00 H new ATOM 977 N PRO C 81 122.975 2.151 0.192 1.00 0.00 N ATOM 978 CA PRO C 81 124.180 2.908 -0.150 1.00 0.00 C ATOM 979 C PRO C 81 125.389 2.000 -0.469 1.00 0.00 C ATOM 980 O PRO C 81 125.422 0.840 -0.037 1.00 0.00 O ATOM 981 CB PRO C 81 124.445 3.788 1.077 1.00 0.00 C ATOM 982 CG PRO C 81 123.895 2.959 2.236 1.00 0.00 C ATOM 983 CD PRO C 81 122.684 2.263 1.616 1.00 0.00 C ATOM 0 HA PRO C 81 124.035 3.491 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO C 81 125.508 3.995 1.200 1.00 0.00 H new ATOM 0 HB3 PRO C 81 123.940 4.751 0.997 1.00 0.00 H new ATOM 0 HG2 PRO C 81 124.629 2.241 2.603 1.00 0.00 H new ATOM 0 HG3 PRO C 81 123.611 3.586 3.082 1.00 0.00 H new ATOM 0 HD2 PRO C 81 122.527 1.281 2.061 1.00 0.00 H new ATOM 0 HD3 PRO C 81 121.774 2.838 1.785 1.00 0.00 H new ATOM 1006 N GLY C 83 129.055 0.222 -0.095 1.00 0.00 N ATOM 1007 CA GLY C 83 129.959 -0.190 0.981 1.00 0.00 C ATOM 1008 C GLY C 83 131.188 0.730 1.116 1.00 0.00 C ATOM 1009 O GLY C 83 131.509 1.474 0.181 1.00 0.00 O ATOM 0 HA2 GLY C 83 129.413 -0.199 1.924 1.00 0.00 H new ATOM 0 HA3 GLY C 83 130.294 -1.211 0.797 1.00 0.00 H new ATOM 1013 N PRO C 84 131.893 0.698 2.262 1.00 0.00 N ATOM 1014 CA PRO C 84 133.033 1.579 2.523 1.00 0.00 C ATOM 1015 C PRO C 84 134.295 1.170 1.732 1.00 0.00 C ATOM 1016 O PRO C 84 134.428 -0.001 1.354 1.00 0.00 O ATOM 1017 CB PRO C 84 133.264 1.482 4.035 1.00 0.00 C ATOM 1018 CG PRO C 84 132.780 0.074 4.380 1.00 0.00 C ATOM 1019 CD PRO C 84 131.601 -0.124 3.429 1.00 0.00 C ATOM 0 HA PRO C 84 132.826 2.599 2.198 1.00 0.00 H new ATOM 0 HB2 PRO C 84 134.315 1.619 4.290 1.00 0.00 H new ATOM 0 HB3 PRO C 84 132.703 2.243 4.577 1.00 0.00 H new ATOM 0 HG2 PRO C 84 133.559 -0.672 4.219 1.00 0.00 H new ATOM 0 HG3 PRO C 84 132.475 -0.004 5.424 1.00 0.00 H new ATOM 0 HD2 PRO C 84 131.493 -1.173 3.152 1.00 0.00 H new ATOM 0 HD3 PRO C 84 130.665 0.180 3.897 1.00 0.00 H new ATOM 1042 N GLY C 86 138.040 -0.218 1.084 1.00 0.00 N ATOM 1043 CA GLY C 86 138.805 -1.303 1.706 1.00 0.00 C ATOM 1044 C GLY C 86 139.949 -0.820 2.618 1.00 0.00 C ATOM 1045 O GLY C 86 140.362 0.343 2.527 1.00 0.00 O ATOM 0 HA2 GLY C 86 138.126 -1.924 2.290 1.00 0.00 H new ATOM 0 HA3 GLY C 86 139.221 -1.936 0.922 1.00 0.00 H new ATOM 1049 N PRO C 87 140.479 -1.689 3.503 1.00 0.00 N ATOM 1050 CA PRO C 87 141.604 -1.339 4.367 1.00 0.00 C ATOM 1051 C PRO C 87 142.918 -1.075 3.594 1.00 0.00 C ATOM 1052 O PRO C 87 143.106 -1.613 2.494 1.00 0.00 O ATOM 1053 CB PRO C 87 141.748 -2.481 5.382 1.00 0.00 C ATOM 1054 CG PRO C 87 140.712 -3.538 4.994 1.00 0.00 C ATOM 1055 CD PRO C 87 140.114 -3.089 3.663 1.00 0.00 C ATOM 0 HA PRO C 87 141.402 -0.392 4.867 1.00 0.00 H new ATOM 0 HB2 PRO C 87 142.755 -2.897 5.358 1.00 0.00 H new ATOM 0 HB3 PRO C 87 141.576 -2.123 6.397 1.00 0.00 H new ATOM 0 HG2 PRO C 87 141.176 -4.520 4.900 1.00 0.00 H new ATOM 0 HG3 PRO C 87 139.939 -3.623 5.758 1.00 0.00 H new ATOM 0 HD2 PRO C 87 140.503 -3.689 2.840 1.00 0.00 H new ATOM 0 HD3 PRO C 87 139.031 -3.211 3.662 1.00 0.00 H new ATOM 1078 N GLY C 89 146.729 -1.621 2.360 1.00 0.00 N ATOM 1079 CA GLY C 89 147.504 -2.831 2.067 1.00 0.00 C ATOM 1080 C GLY C 89 148.537 -3.194 3.149 1.00 0.00 C ATOM 1081 O GLY C 89 148.850 -2.361 4.010 1.00 0.00 O ATOM 0 HA2 GLY C 89 146.817 -3.668 1.941 1.00 0.00 H new ATOM 0 HA3 GLY C 89 148.021 -2.697 1.117 1.00 0.00 H new ATOM 1085 N PRO C 90 149.079 -4.427 3.128 1.00 0.00 N ATOM 1086 CA PRO C 90 150.099 -4.850 4.083 1.00 0.00 C ATOM 1087 C PRO C 90 151.407 -4.027 4.007 1.00 0.00 C ATOM 1088 O PRO C 90 151.731 -3.489 2.941 1.00 0.00 O ATOM 1089 CB PRO C 90 150.307 -6.356 3.867 1.00 0.00 C ATOM 1090 CG PRO C 90 149.417 -6.745 2.682 1.00 0.00 C ATOM 1091 CD PRO C 90 148.879 -5.440 2.102 1.00 0.00 C ATOM 0 HA PRO C 90 149.759 -4.658 5.101 1.00 0.00 H new ATOM 0 HB2 PRO C 90 151.353 -6.578 3.657 1.00 0.00 H new ATOM 0 HB3 PRO C 90 150.034 -6.919 4.760 1.00 0.00 H new ATOM 0 HG2 PRO C 90 149.986 -7.297 1.934 1.00 0.00 H new ATOM 0 HG3 PRO C 90 148.601 -7.392 3.005 1.00 0.00 H new ATOM 0 HD2 PRO C 90 149.406 -5.175 1.185 1.00 0.00 H new ATOM 0 HD3 PRO C 90 147.823 -5.533 1.847 1.00 0.00 H new