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+ 179:sc= 1.29 (180deg=1.29) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.21) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.12) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.21) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 1.12 (180deg=0.766) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.25) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.25) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 84.762 5.324 1.875 1.00 0.00 N ATOM 65 CA LYS A 6 86.009 5.368 1.087 1.00 0.00 C ATOM 66 C LYS A 6 86.982 4.269 1.556 1.00 0.00 C ATOM 67 O LYS A 6 87.047 3.956 2.748 1.00 0.00 O ATOM 68 CB LYS A 6 86.618 6.785 1.231 1.00 0.00 C ATOM 69 CG LYS A 6 88.001 6.938 0.576 1.00 0.00 C ATOM 70 CD LYS A 6 88.475 8.399 0.585 1.00 0.00 C ATOM 71 CE LYS A 6 89.931 8.531 0.109 1.00 0.00 C ATOM 72 NZ LYS A 6 90.906 8.125 1.160 1.00 0.00 N ATOM 0 HA LYS A 6 85.806 5.174 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 6 85.935 7.510 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 6 86.699 7.029 2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 6 88.725 6.317 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 6 87.960 6.575 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.827 8.995 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 6 88.384 8.804 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 6 90.079 7.915 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 6 90.124 9.563 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 91.874 8.214 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 90.796 8.740 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 90.730 7.137 1.434 1.00 0.00 H new ATOM 86 N GLY A 7 87.746 3.692 0.625 1.00 0.00 N ATOM 87 CA GLY A 7 88.709 2.621 0.912 1.00 0.00 C ATOM 88 C GLY A 7 89.897 3.061 1.796 1.00 0.00 C ATOM 89 O GLY A 7 90.286 4.234 1.763 1.00 0.00 O ATOM 0 H GLY A 7 87.715 3.956 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 7 88.187 1.801 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 89.095 2.232 -0.030 1.00 0.00 H new ATOM 93 N PRO A 8 90.504 2.140 2.572 1.00 0.00 N ATOM 94 CA PRO A 8 91.656 2.429 3.432 1.00 0.00 C ATOM 95 C PRO A 8 92.975 2.607 2.657 1.00 0.00 C ATOM 96 O PRO A 8 93.155 2.084 1.553 1.00 0.00 O ATOM 97 CB PRO A 8 91.744 1.238 4.396 1.00 0.00 C ATOM 98 CG PRO A 8 91.156 0.087 3.584 1.00 0.00 C ATOM 99 CD PRO A 8 90.044 0.775 2.796 1.00 0.00 C ATOM 0 HA PRO A 8 91.514 3.381 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 8 92.773 1.036 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 8 91.177 1.417 5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 8 91.898 -0.367 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 8 90.769 -0.706 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 8 89.860 0.264 1.851 1.00 0.00 H new ATOM 0 HD3 PRO A 8 89.106 0.764 3.352 1.00 0.00 H new ATOM 107 N LYS A 9 93.923 3.320 3.279 1.00 0.00 N ATOM 108 CA LYS A 9 95.315 3.495 2.822 1.00 0.00 C ATOM 109 C LYS A 9 96.079 2.157 2.777 1.00 0.00 C ATOM 110 O LYS A 9 95.890 1.300 3.645 1.00 0.00 O ATOM 111 CB LYS A 9 95.986 4.509 3.773 1.00 0.00 C ATOM 112 CG LYS A 9 97.442 4.842 3.417 1.00 0.00 C ATOM 113 CD LYS A 9 98.005 5.897 4.380 1.00 0.00 C ATOM 114 CE LYS A 9 99.520 6.029 4.188 1.00 0.00 C ATOM 115 NZ LYS A 9 100.108 7.020 5.128 1.00 0.00 N ATOM 0 H LYS A 9 93.737 3.813 4.152 1.00 0.00 H new ATOM 0 HA LYS A 9 95.330 3.871 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 9 95.404 5.431 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 9 95.954 4.113 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 9 98.049 3.938 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 9 97.497 5.211 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 9 97.523 6.858 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 9 97.784 5.616 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 9 99.992 5.058 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 9 99.732 6.330 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 101.140 7.046 5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 99.712 7.962 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 99.883 6.747 6.106 1.00 0.00 H new ATOM 129 N GLY A 10 96.960 1.992 1.786 1.00 0.00 N ATOM 130 CA GLY A 10 97.799 0.794 1.622 1.00 0.00 C ATOM 131 C GLY A 10 99.009 0.710 2.578 1.00 0.00 C ATOM 132 O GLY A 10 99.362 1.702 3.224 1.00 0.00 O ATOM 0 H GLY A 10 97.115 2.695 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 10 97.177 -0.089 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 10 98.163 0.761 0.595 1.00 0.00 H new ATOM 136 N PRO A 11 99.667 -0.463 2.679 1.00 0.00 N ATOM 137 CA PRO A 11 100.817 -0.682 3.566 1.00 0.00 C ATOM 138 C PRO A 11 102.115 -0.040 3.044 1.00 0.00 C ATOM 139 O PRO A 11 102.277 0.198 1.843 1.00 0.00 O ATOM 140 CB PRO A 11 100.957 -2.207 3.656 1.00 0.00 C ATOM 141 CG PRO A 11 100.446 -2.681 2.297 1.00 0.00 C ATOM 142 CD PRO A 11 99.304 -1.707 2.010 1.00 0.00 C ATOM 0 HA PRO A 11 100.651 -0.213 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 11 101.991 -2.508 3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 11 100.367 -2.619 4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 11 101.222 -2.632 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 11 100.098 -3.714 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 11 99.181 -1.553 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 11 98.357 -2.092 2.388 1.00 0.00 H new ATOM 150 N LYS A 12 103.075 0.192 3.950 1.00 0.00 N ATOM 151 CA LYS A 12 104.429 0.674 3.620 1.00 0.00 C ATOM 152 C LYS A 12 105.135 -0.264 2.619 1.00 0.00 C ATOM 153 O LYS A 12 105.032 -1.489 2.731 1.00 0.00 O ATOM 154 CB LYS A 12 105.238 0.831 4.924 1.00 0.00 C ATOM 155 CG LYS A 12 106.555 1.591 4.692 1.00 0.00 C ATOM 156 CD LYS A 12 107.500 1.620 5.903 1.00 0.00 C ATOM 157 CE LYS A 12 108.088 0.229 6.186 1.00 0.00 C ATOM 158 NZ LYS A 12 109.120 0.273 7.256 1.00 0.00 N ATOM 0 H LYS A 12 102.933 0.049 4.950 1.00 0.00 H new ATOM 0 HA LYS A 12 104.355 1.645 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 12 104.637 1.362 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.455 -0.154 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 12 107.078 1.136 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 12 106.322 2.616 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 12 108.308 2.328 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.959 1.974 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 12 107.288 -0.451 6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 12 108.528 -0.172 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.236 -0.676 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 110.025 0.589 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 108.822 0.937 7.999 1.00 0.00 H new ATOM 172 N GLY A 13 105.861 0.311 1.658 1.00 0.00 N ATOM 173 CA GLY A 13 106.630 -0.423 0.644 1.00 0.00 C ATOM 174 C GLY A 13 107.847 -1.201 1.185 1.00 0.00 C ATOM 175 O GLY A 13 108.249 -1.007 2.338 1.00 0.00 O ATOM 0 H GLY A 13 105.934 1.324 1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 13 105.964 -1.124 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 13 106.976 0.284 -0.110 1.00 0.00 H new ATOM 179 N PRO A 14 108.452 -2.081 0.362 1.00 0.00 N ATOM 180 CA PRO A 14 109.580 -2.927 0.763 1.00 0.00 C ATOM 181 C PRO A 14 110.907 -2.153 0.854 1.00 0.00 C ATOM 182 O PRO A 14 111.163 -1.219 0.088 1.00 0.00 O ATOM 183 CB PRO A 14 109.652 -4.021 -0.309 1.00 0.00 C ATOM 184 CG PRO A 14 109.119 -3.323 -1.558 1.00 0.00 C ATOM 185 CD PRO A 14 108.034 -2.405 -0.997 1.00 0.00 C ATOM 0 HA PRO A 14 109.427 -3.329 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 14 110.672 -4.378 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 14 109.046 -4.887 -0.042 1.00 0.00 H new ATOM 0 HG2 PRO A 14 109.899 -2.760 -2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 14 108.714 -4.035 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 14 107.934 -1.503 -1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 14 107.063 -2.900 -1.000 1.00 0.00 H new ATOM 193 N LYS A 15 111.785 -2.582 1.771 1.00 0.00 N ATOM 194 CA LYS A 15 113.157 -2.066 1.931 1.00 0.00 C ATOM 195 C LYS A 15 113.961 -2.183 0.621 1.00 0.00 C ATOM 196 O LYS A 15 113.870 -3.196 -0.079 1.00 0.00 O ATOM 197 CB LYS A 15 113.823 -2.835 3.089 1.00 0.00 C ATOM 198 CG LYS A 15 115.246 -2.355 3.417 1.00 0.00 C ATOM 199 CD LYS A 15 115.813 -3.148 4.604 1.00 0.00 C ATOM 200 CE LYS A 15 117.333 -2.998 4.746 1.00 0.00 C ATOM 201 NZ LYS A 15 117.758 -1.643 5.187 1.00 0.00 N ATOM 0 H LYS A 15 111.557 -3.317 2.441 1.00 0.00 H new ATOM 0 HA LYS A 15 113.130 -1.003 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 15 113.203 -2.739 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 15 113.856 -3.895 2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 15 115.890 -2.480 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 15 115.233 -1.291 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 15 115.332 -2.812 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 15 115.566 -4.203 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 15 117.697 -3.735 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 15 117.803 -3.224 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 118.783 -1.640 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 117.530 -0.949 4.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 117.258 -1.391 6.063 1.00 0.00 H new ATOM 215 N GLY A 16 114.753 -1.156 0.300 1.00 0.00 N ATOM 216 CA GLY A 16 115.582 -1.106 -0.910 1.00 0.00 C ATOM 217 C GLY A 16 116.758 -2.102 -0.918 1.00 0.00 C ATOM 218 O GLY A 16 117.143 -2.614 0.139 1.00 0.00 O ATOM 0 H GLY A 16 114.838 -0.323 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 16 114.950 -1.301 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 115.976 -0.096 -1.024 1.00 0.00 H new ATOM 222 N PRO A 17 117.347 -2.387 -2.096 1.00 0.00 N ATOM 223 CA PRO A 17 118.440 -3.351 -2.236 1.00 0.00 C ATOM 224 C PRO A 17 119.792 -2.788 -1.762 1.00 0.00 C ATOM 225 O PRO A 17 120.036 -1.579 -1.793 1.00 0.00 O ATOM 226 CB PRO A 17 118.462 -3.699 -3.728 1.00 0.00 C ATOM 227 CG PRO A 17 117.979 -2.412 -4.395 1.00 0.00 C ATOM 228 CD PRO A 17 116.954 -1.868 -3.400 1.00 0.00 C ATOM 0 HA PRO A 17 118.279 -4.228 -1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 17 119.462 -3.975 -4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 17 117.807 -4.540 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 17 118.797 -1.710 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 17 117.531 -2.607 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 17 116.949 -0.778 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 17 115.946 -2.191 -3.661 1.00 0.00 H new ATOM 236 N LYS A 18 120.701 -3.678 -1.348 1.00 0.00 N ATOM 237 CA LYS A 18 122.066 -3.341 -0.901 1.00 0.00 C ATOM 238 C LYS A 18 122.871 -2.603 -1.990 1.00 0.00 C ATOM 239 O LYS A 18 122.726 -2.891 -3.182 1.00 0.00 O ATOM 240 CB LYS A 18 122.750 -4.645 -0.450 1.00 0.00 C ATOM 241 CG LYS A 18 124.102 -4.404 0.235 1.00 0.00 C ATOM 242 CD LYS A 18 124.727 -5.719 0.713 1.00 0.00 C ATOM 243 CE LYS A 18 126.101 -5.447 1.339 1.00 0.00 C ATOM 244 NZ LYS A 18 126.782 -6.710 1.726 1.00 0.00 N ATOM 0 H LYS A 18 120.507 -4.679 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 18 122.018 -2.644 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 18 122.091 -5.177 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 122.897 -5.291 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 18 124.780 -3.908 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 18 123.968 -3.733 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 18 124.074 -6.198 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 18 124.829 -6.409 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 18 126.723 -4.899 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 18 125.983 -4.812 2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 127.781 -6.515 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 126.321 -7.109 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 126.721 -7.391 0.943 1.00 0.00 H new ATOM 258 N GLY A 19 123.720 -1.656 -1.579 1.00 0.00 N ATOM 259 CA GLY A 19 124.543 -0.836 -2.482 1.00 0.00 C ATOM 260 C GLY A 19 125.676 -1.589 -3.211 1.00 0.00 C ATOM 261 O GLY A 19 126.001 -2.725 -2.848 1.00 0.00 O ATOM 0 H GLY A 19 123.859 -1.432 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 19 123.891 -0.383 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 19 124.983 -0.021 -1.906 1.00 0.00 H new ATOM 265 N PRO A 20 126.300 -0.968 -4.233 1.00 0.00 N ATOM 266 CA PRO A 20 127.368 -1.581 -5.032 1.00 0.00 C ATOM 267 C PRO A 20 128.722 -1.622 -4.296 1.00 0.00 C ATOM 268 O PRO A 20 129.065 -0.718 -3.531 1.00 0.00 O ATOM 269 CB PRO A 20 127.451 -0.723 -6.300 1.00 0.00 C ATOM 270 CG PRO A 20 127.011 0.660 -5.825 1.00 0.00 C ATOM 271 CD PRO A 20 125.949 0.340 -4.774 1.00 0.00 C ATOM 0 HA PRO A 20 127.143 -2.626 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 20 128.462 -0.705 -6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 20 126.798 -1.104 -7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 20 127.842 1.224 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 20 126.604 1.257 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 20 125.937 1.096 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 20 124.953 0.324 -5.217 1.00 0.00 H new ATOM 279 N LYS A 21 129.516 -2.669 -4.557 1.00 0.00 N ATOM 280 CA LYS A 21 130.872 -2.877 -4.009 1.00 0.00 C ATOM 281 C LYS A 21 131.855 -1.755 -4.407 1.00 0.00 C ATOM 282 O LYS A 21 131.794 -1.236 -5.524 1.00 0.00 O ATOM 283 CB LYS A 21 131.353 -4.268 -4.476 1.00 0.00 C ATOM 284 CG LYS A 21 132.767 -4.635 -3.999 1.00 0.00 C ATOM 285 CD LYS A 21 133.078 -6.106 -4.309 1.00 0.00 C ATOM 286 CE LYS A 21 134.536 -6.472 -3.996 1.00 0.00 C ATOM 287 NZ LYS A 21 135.485 -5.872 -4.973 1.00 0.00 N ATOM 0 H LYS A 21 129.225 -3.424 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 21 130.837 -2.838 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 21 130.653 -5.022 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 21 131.328 -4.303 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 21 133.499 -3.992 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 21 132.852 -4.458 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 21 132.413 -6.746 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 21 132.874 -6.304 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 21 134.787 -6.132 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 21 134.647 -7.556 -4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 136.454 -6.172 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 135.242 -6.189 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 135.423 -4.835 -4.925 1.00 0.00 H new ATOM 301 N GLY A 22 132.771 -1.408 -3.496 1.00 0.00 N ATOM 302 CA GLY A 22 133.768 -0.344 -3.691 1.00 0.00 C ATOM 303 C GLY A 22 134.998 -0.743 -4.533 1.00 0.00 C ATOM 304 O GLY A 22 135.244 -1.936 -4.745 1.00 0.00 O ATOM 0 H GLY A 22 132.843 -1.865 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 22 133.280 0.506 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 134.111 -0.006 -2.713 1.00 0.00 H new ATOM 308 N PRO A 23 135.785 0.241 -5.013 1.00 0.00 N ATOM 309 CA PRO A 23 136.955 0.015 -5.869 1.00 0.00 C ATOM 310 C PRO A 23 138.209 -0.424 -5.091 1.00 0.00 C ATOM 311 O PRO A 23 138.353 -0.167 -3.894 1.00 0.00 O ATOM 312 CB PRO A 23 137.188 1.361 -6.566 1.00 0.00 C ATOM 313 CG PRO A 23 136.729 2.374 -5.520 1.00 0.00 C ATOM 314 CD PRO A 23 135.536 1.672 -4.872 1.00 0.00 C ATOM 0 HA PRO A 23 136.770 -0.804 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 23 138.236 1.502 -6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 23 136.612 1.443 -7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 23 137.514 2.591 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 23 136.443 3.323 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 23 135.443 1.950 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 23 134.604 1.956 -5.361 1.00 0.00 H new ATOM 322 N LYS A 24 139.156 -1.056 -5.795 1.00 0.00 N ATOM 323 CA LYS A 24 140.469 -1.485 -5.275 1.00 0.00 C ATOM 324 C LYS A 24 141.280 -0.313 -4.682 1.00 0.00 C ATOM 325 O LYS A 24 141.278 0.793 -5.230 1.00 0.00 O ATOM 326 CB LYS A 24 141.221 -2.178 -6.428 1.00 0.00 C ATOM 327 CG LYS A 24 142.586 -2.754 -6.026 1.00 0.00 C ATOM 328 CD LYS A 24 143.221 -3.492 -7.211 1.00 0.00 C ATOM 329 CE LYS A 24 144.663 -3.894 -6.880 1.00 0.00 C ATOM 330 NZ LYS A 24 145.308 -4.592 -8.023 1.00 0.00 N ATOM 0 H LYS A 24 139.029 -1.293 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 24 140.326 -2.179 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 24 140.600 -2.983 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 24 141.364 -1.462 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 24 143.244 -1.951 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 24 142.467 -3.437 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 24 142.635 -4.379 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 24 143.208 -2.853 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 24 145.240 -3.006 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 24 144.669 -4.544 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 146.298 -4.805 -7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 144.800 -5.478 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 145.278 -3.981 -8.864 1.00 0.00 H new ATOM 344 N GLY A 25 141.989 -0.565 -3.578 1.00 0.00 N ATOM 345 CA GLY A 25 142.850 0.417 -2.902 1.00 0.00 C ATOM 346 C GLY A 25 144.171 0.732 -3.632 1.00 0.00 C ATOM 347 O GLY A 25 144.559 0.009 -4.556 1.00 0.00 O ATOM 0 H GLY A 25 141.982 -1.475 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 25 142.291 1.344 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 25 143.083 0.048 -1.903 1.00 0.00 H new ATOM 351 N PRO A 26 144.883 1.803 -3.232 1.00 0.00 N ATOM 352 CA PRO A 26 146.122 2.244 -3.881 1.00 0.00 C ATOM 353 C PRO A 26 147.340 1.369 -3.530 1.00 0.00 C ATOM 354 O PRO A 26 147.386 0.720 -2.481 1.00 0.00 O ATOM 355 CB PRO A 26 146.319 3.689 -3.406 1.00 0.00 C ATOM 356 CG PRO A 26 145.686 3.687 -2.017 1.00 0.00 C ATOM 357 CD PRO A 26 144.496 2.744 -2.188 1.00 0.00 C ATOM 0 HA PRO A 26 146.040 2.163 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 26 147.374 3.960 -3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 26 145.831 4.402 -4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 26 146.380 3.328 -1.257 1.00 0.00 H new ATOM 0 HG3 PRO A 26 145.370 4.686 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 26 144.272 2.224 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 26 143.598 3.294 -2.470 1.00 0.00 H new ATOM 365 N LYS A 27 148.359 1.388 -4.400 1.00 0.00 N ATOM 366 CA LYS A 27 149.651 0.697 -4.208 1.00 0.00 C ATOM 367 C LYS A 27 150.333 1.120 -2.894 1.00 0.00 C ATOM 368 O LYS A 27 150.300 2.297 -2.521 1.00 0.00 O ATOM 369 CB LYS A 27 150.536 0.982 -5.436 1.00 0.00 C ATOM 370 CG LYS A 27 151.836 0.161 -5.457 1.00 0.00 C ATOM 371 CD LYS A 27 152.612 0.417 -6.757 1.00 0.00 C ATOM 372 CE LYS A 27 153.922 -0.383 -6.777 1.00 0.00 C ATOM 373 NZ LYS A 27 154.686 -0.147 -8.034 1.00 0.00 N ATOM 0 H LYS A 27 148.311 1.897 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 27 149.485 -0.377 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 27 149.967 0.770 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 27 150.785 2.043 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 27 152.454 0.426 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 27 151.604 -0.900 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 27 151.998 0.139 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 27 152.829 1.481 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 27 154.534 -0.103 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 27 153.702 -1.446 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 155.565 -0.702 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 154.110 -0.438 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 154.916 0.864 -8.116 1.00 0.00 H new ATOM 387 N GLY A 28 150.947 0.161 -2.198 1.00 0.00 N ATOM 388 CA GLY A 28 151.577 0.379 -0.889 1.00 0.00 C ATOM 389 C GLY A 28 152.792 1.329 -0.907 1.00 0.00 C ATOM 390 O GLY A 28 153.411 1.524 -1.959 1.00 0.00 O ATOM 0 H GLY A 28 151.023 -0.801 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 28 150.830 0.780 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 28 151.892 -0.584 -0.488 1.00 0.00 H new ATOM 394 N PRO A 29 153.157 1.921 0.249 1.00 0.00 N ATOM 395 CA PRO A 29 154.269 2.870 0.359 1.00 0.00 C ATOM 396 C PRO A 29 155.643 2.195 0.203 1.00 0.00 C ATOM 397 O PRO A 29 155.816 1.016 0.524 1.00 0.00 O ATOM 398 CB PRO A 29 154.104 3.524 1.738 1.00 0.00 C ATOM 399 CG PRO A 29 153.393 2.451 2.559 1.00 0.00 C ATOM 400 CD PRO A 29 152.482 1.779 1.534 1.00 0.00 C ATOM 0 HA PRO A 29 154.239 3.605 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 29 155.067 3.790 2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 29 153.516 4.440 1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 29 154.098 1.744 2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 29 152.824 2.884 3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 29 152.325 0.729 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 29 151.500 2.252 1.514 1.00 0.00 H new ATOM 508 N GLY B 39 90.951 3.849 -1.976 1.00 0.00 N ATOM 509 CA GLY B 39 91.921 4.272 -0.959 1.00 0.00 C ATOM 510 C GLY B 39 93.294 4.664 -1.526 1.00 0.00 C ATOM 511 O GLY B 39 93.629 4.367 -2.675 1.00 0.00 O ATOM 0 HA2 GLY B 39 91.510 5.120 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY B 39 92.054 3.463 -0.241 1.00 0.00 H new ATOM 515 N ASP B 40 94.084 5.371 -0.716 1.00 0.00 N ATOM 516 CA ASP B 40 95.361 5.975 -1.106 1.00 0.00 C ATOM 517 C ASP B 40 96.563 4.996 -1.084 1.00 0.00 C ATOM 518 O ASP B 40 96.604 4.092 -0.242 1.00 0.00 O ATOM 519 CB ASP B 40 95.625 7.144 -0.150 1.00 0.00 C ATOM 520 CG ASP B 40 94.593 8.267 -0.334 1.00 0.00 C ATOM 521 OD1 ASP B 40 94.789 9.129 -1.224 1.00 0.00 O ATOM 522 OD2 ASP B 40 93.577 8.283 0.404 1.00 0.00 O ATOM 0 H ASP B 40 93.846 5.545 0.260 1.00 0.00 H new ATOM 0 HA ASP B 40 95.274 6.298 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP B 40 95.596 6.787 0.879 1.00 0.00 H new ATOM 0 HB3 ASP B 40 96.627 7.537 -0.323 1.00 0.00 H new ATOM 542 N GLY B 42 100.274 3.475 -0.128 1.00 0.00 N ATOM 543 CA GLY B 42 101.116 3.441 1.076 1.00 0.00 C ATOM 544 C GLY B 42 102.395 4.293 0.990 1.00 0.00 C ATOM 545 O GLY B 42 102.753 4.816 -0.068 1.00 0.00 O ATOM 0 HA2 GLY B 42 100.525 3.782 1.926 1.00 0.00 H new ATOM 0 HA3 GLY B 42 101.397 2.407 1.277 1.00 0.00 H new ATOM 549 N ASP B 43 103.103 4.429 2.117 1.00 0.00 N ATOM 550 CA ASP B 43 104.372 5.166 2.215 1.00 0.00 C ATOM 551 C ASP B 43 105.578 4.391 1.628 1.00 0.00 C ATOM 552 O ASP B 43 105.570 3.156 1.634 1.00 0.00 O ATOM 553 CB ASP B 43 104.631 5.505 3.690 1.00 0.00 C ATOM 554 CG ASP B 43 103.824 6.731 4.140 1.00 0.00 C ATOM 555 OD1 ASP B 43 104.191 7.867 3.754 1.00 0.00 O ATOM 556 OD2 ASP B 43 102.826 6.563 4.882 1.00 0.00 O ATOM 0 H ASP B 43 102.806 4.023 3.004 1.00 0.00 H new ATOM 0 HA ASP B 43 104.274 6.072 1.617 1.00 0.00 H new ATOM 0 HB2 ASP B 43 104.369 4.649 4.312 1.00 0.00 H new ATOM 0 HB3 ASP B 43 105.694 5.694 3.839 1.00 0.00 H new ATOM 576 N GLY B 45 109.211 2.457 1.112 1.00 0.00 N ATOM 577 CA GLY B 45 110.141 1.613 1.867 1.00 0.00 C ATOM 578 C GLY B 45 111.423 2.320 2.322 1.00 0.00 C ATOM 579 O GLY B 45 111.816 3.360 1.788 1.00 0.00 O ATOM 0 HA2 GLY B 45 109.626 1.224 2.745 1.00 0.00 H new ATOM 0 HA3 GLY B 45 110.414 0.756 1.251 1.00 0.00 H new ATOM 583 N ASP B 46 112.085 1.736 3.323 1.00 0.00 N ATOM 584 CA ASP B 46 113.352 2.219 3.872 1.00 0.00 C ATOM 585 C ASP B 46 114.536 1.986 2.902 1.00 0.00 C ATOM 586 O ASP B 46 114.512 1.014 2.139 1.00 0.00 O ATOM 587 CB ASP B 46 113.596 1.493 5.201 1.00 0.00 C ATOM 588 CG ASP B 46 112.640 1.984 6.301 1.00 0.00 C ATOM 589 OD1 ASP B 46 112.964 2.995 6.971 1.00 0.00 O ATOM 590 OD2 ASP B 46 111.569 1.361 6.501 1.00 0.00 O ATOM 0 H ASP B 46 111.745 0.893 3.785 1.00 0.00 H new ATOM 0 HA ASP B 46 113.287 3.296 4.025 1.00 0.00 H new ATOM 0 HB2 ASP B 46 113.467 0.420 5.059 1.00 0.00 H new ATOM 0 HB3 ASP B 46 114.627 1.651 5.518 1.00 0.00 H new ATOM 610 N GLY B 48 118.183 0.782 1.271 1.00 0.00 N ATOM 611 CA GLY B 48 119.107 -0.352 1.372 1.00 0.00 C ATOM 612 C GLY B 48 120.376 -0.038 2.176 1.00 0.00 C ATOM 613 O GLY B 48 120.725 1.124 2.399 1.00 0.00 O ATOM 0 HA2 GLY B 48 118.590 -1.191 1.837 1.00 0.00 H new ATOM 0 HA3 GLY B 48 119.391 -0.669 0.369 1.00 0.00 H new ATOM 617 N ASP B 49 121.079 -1.083 2.615 1.00 0.00 N ATOM 618 CA ASP B 49 122.335 -0.971 3.367 1.00 0.00 C ATOM 619 C ASP B 49 123.556 -0.692 2.458 1.00 0.00 C ATOM 620 O ASP B 49 123.520 -1.023 1.266 1.00 0.00 O ATOM 621 CB ASP B 49 122.532 -2.255 4.187 1.00 0.00 C ATOM 622 CG ASP B 49 121.698 -2.235 5.480 1.00 0.00 C ATOM 623 OD1 ASP B 49 120.447 -2.286 5.407 1.00 0.00 O ATOM 624 OD2 ASP B 49 122.296 -2.145 6.579 1.00 0.00 O ATOM 0 H ASP B 49 120.789 -2.048 2.457 1.00 0.00 H new ATOM 0 HA ASP B 49 122.262 -0.111 4.032 1.00 0.00 H new ATOM 0 HB2 ASP B 49 122.250 -3.119 3.585 1.00 0.00 H new ATOM 0 HB3 ASP B 49 123.587 -2.370 4.436 1.00 0.00 H new ATOM 644 N GLY B 51 127.085 -0.773 0.350 1.00 0.00 N ATOM 645 CA GLY B 51 127.873 -1.765 -0.386 1.00 0.00 C ATOM 646 C GLY B 51 129.131 -2.238 0.350 1.00 0.00 C ATOM 647 O GLY B 51 129.612 -1.599 1.289 1.00 0.00 O ATOM 0 HA2 GLY B 51 127.243 -2.629 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY B 51 128.165 -1.341 -1.346 1.00 0.00 H new ATOM 651 N ASP B 52 129.668 -3.381 -0.079 1.00 0.00 N ATOM 652 CA ASP B 52 130.852 -3.994 0.518 1.00 0.00 C ATOM 653 C ASP B 52 132.153 -3.208 0.216 1.00 0.00 C ATOM 654 O ASP B 52 132.299 -2.673 -0.890 1.00 0.00 O ATOM 655 CB ASP B 52 130.950 -5.428 -0.010 1.00 0.00 C ATOM 656 CG ASP B 52 129.799 -6.311 0.496 1.00 0.00 C ATOM 657 OD1 ASP B 52 129.576 -6.394 1.728 1.00 0.00 O ATOM 658 OD2 ASP B 52 129.081 -6.912 -0.338 1.00 0.00 O ATOM 0 H ASP B 52 129.287 -3.913 -0.861 1.00 0.00 H new ATOM 0 HA ASP B 52 130.746 -3.983 1.603 1.00 0.00 H new ATOM 0 HB2 ASP B 52 130.943 -5.414 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP B 52 131.901 -5.862 0.297 1.00 0.00 H new ATOM 678 N GLY B 54 136.003 -2.282 -0.935 1.00 0.00 N ATOM 679 CA GLY B 54 136.895 -2.711 -2.016 1.00 0.00 C ATOM 680 C GLY B 54 138.083 -3.574 -1.562 1.00 0.00 C ATOM 681 O GLY B 54 138.390 -3.683 -0.372 1.00 0.00 O ATOM 0 HA2 GLY B 54 136.314 -3.272 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY B 54 137.279 -1.827 -2.525 1.00 0.00 H new ATOM 685 N ASP B 55 138.767 -4.192 -2.527 1.00 0.00 N ATOM 686 CA ASP B 55 139.937 -5.046 -2.305 1.00 0.00 C ATOM 687 C ASP B 55 141.198 -4.241 -1.911 1.00 0.00 C ATOM 688 O ASP B 55 141.377 -3.119 -2.396 1.00 0.00 O ATOM 689 CB ASP B 55 140.211 -5.817 -3.601 1.00 0.00 C ATOM 690 CG ASP B 55 139.134 -6.874 -3.877 1.00 0.00 C ATOM 691 OD1 ASP B 55 139.281 -8.027 -3.405 1.00 0.00 O ATOM 692 OD2 ASP B 55 138.134 -6.549 -4.562 1.00 0.00 O ATOM 0 H ASP B 55 138.516 -4.110 -3.512 1.00 0.00 H new ATOM 0 HA ASP B 55 139.718 -5.717 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP B 55 140.256 -5.118 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP B 55 141.186 -6.300 -3.537 1.00 0.00 H new ATOM 712 N GLY B 57 145.009 -2.782 -2.033 1.00 0.00 N ATOM 713 CA GLY B 57 146.025 -2.491 -3.050 1.00 0.00 C ATOM 714 C GLY B 57 147.181 -3.507 -3.070 1.00 0.00 C ATOM 715 O GLY B 57 147.358 -4.297 -2.138 1.00 0.00 O ATOM 0 HA2 GLY B 57 145.551 -2.473 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY B 57 146.430 -1.495 -2.873 1.00 0.00 H new ATOM 719 N ASP B 58 147.993 -3.481 -4.130 1.00 0.00 N ATOM 720 CA ASP B 58 149.210 -4.294 -4.234 1.00 0.00 C ATOM 721 C ASP B 58 150.372 -3.733 -3.379 1.00 0.00 C ATOM 722 O ASP B 58 150.398 -2.527 -3.102 1.00 0.00 O ATOM 723 CB ASP B 58 149.617 -4.381 -5.710 1.00 0.00 C ATOM 724 CG ASP B 58 148.786 -5.431 -6.461 1.00 0.00 C ATOM 725 OD1 ASP B 58 148.979 -6.646 -6.211 1.00 0.00 O ATOM 726 OD2 ASP B 58 147.941 -5.047 -7.305 1.00 0.00 O ATOM 0 H ASP B 58 147.825 -2.892 -4.946 1.00 0.00 H new ATOM 0 HA ASP B 58 148.994 -5.288 -3.842 1.00 0.00 H new ATOM 0 HB2 ASP B 58 149.488 -3.407 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP B 58 150.675 -4.633 -5.783 1.00 0.00 H new ATOM 898 N GLY C 74 102.995 0.948 -0.905 1.00 0.00 N ATOM 899 CA GLY C 74 103.917 2.038 -1.239 1.00 0.00 C ATOM 900 C GLY C 74 105.102 1.604 -2.125 1.00 0.00 C ATOM 901 O GLY C 74 105.378 0.403 -2.241 1.00 0.00 O ATOM 0 HA2 GLY C 74 103.363 2.826 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY C 74 104.305 2.469 -0.316 1.00 0.00 H new ATOM 905 N PRO C 75 105.819 2.555 -2.756 1.00 0.00 N ATOM 906 CA PRO C 75 106.991 2.249 -3.576 1.00 0.00 C ATOM 907 C PRO C 75 108.174 1.620 -2.801 1.00 0.00 C ATOM 908 O PRO C 75 108.348 1.906 -1.611 1.00 0.00 O ATOM 909 CB PRO C 75 107.379 3.548 -4.295 1.00 0.00 C ATOM 910 CG PRO C 75 106.428 4.629 -3.778 1.00 0.00 C ATOM 911 CD PRO C 75 105.611 3.992 -2.656 1.00 0.00 C ATOM 0 HA PRO C 75 106.731 1.467 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO C 75 108.416 3.812 -4.088 1.00 0.00 H new ATOM 0 HB3 PRO C 75 107.289 3.436 -5.375 1.00 0.00 H new ATOM 0 HG2 PRO C 75 106.985 5.491 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO C 75 105.777 4.986 -4.576 1.00 0.00 H new ATOM 0 HD2 PRO C 75 105.933 4.364 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO C 75 104.554 4.239 -2.758 1.00 0.00 H new ATOM 934 N GLY C 77 112.009 1.205 -1.356 1.00 0.00 N ATOM 935 CA GLY C 77 113.103 2.095 -0.950 1.00 0.00 C ATOM 936 C GLY C 77 114.252 2.148 -1.978 1.00 0.00 C ATOM 937 O GLY C 77 114.370 1.246 -2.817 1.00 0.00 O ATOM 0 HA2 GLY C 77 112.709 3.101 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY C 77 113.497 1.762 0.010 1.00 0.00 H new ATOM 941 N PRO C 78 115.113 3.182 -1.933 1.00 0.00 N ATOM 942 CA PRO C 78 116.220 3.340 -2.878 1.00 0.00 C ATOM 943 C PRO C 78 117.373 2.345 -2.614 1.00 0.00 C ATOM 944 O PRO C 78 117.526 1.870 -1.480 1.00 0.00 O ATOM 945 CB PRO C 78 116.686 4.790 -2.701 1.00 0.00 C ATOM 946 CG PRO C 78 116.357 5.089 -1.239 1.00 0.00 C ATOM 947 CD PRO C 78 115.059 4.314 -1.016 1.00 0.00 C ATOM 0 HA PRO C 78 115.899 3.128 -3.898 1.00 0.00 H new ATOM 0 HB2 PRO C 78 117.752 4.898 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO C 78 116.163 5.466 -3.377 1.00 0.00 H new ATOM 0 HG2 PRO C 78 117.149 4.752 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO C 78 116.225 6.157 -1.065 1.00 0.00 H new ATOM 0 HD2 PRO C 78 114.977 3.977 0.017 1.00 0.00 H new ATOM 0 HD3 PRO C 78 114.190 4.940 -1.217 1.00 0.00 H new ATOM 970 N GLY C 80 121.096 1.130 -1.577 1.00 0.00 N ATOM 971 CA GLY C 80 122.068 1.596 -0.583 1.00 0.00 C ATOM 972 C GLY C 80 123.259 2.366 -1.192 1.00 0.00 C ATOM 973 O GLY C 80 123.531 2.228 -2.391 1.00 0.00 O ATOM 0 HA2 GLY C 80 121.560 2.240 0.135 1.00 0.00 H new ATOM 0 HA3 GLY C 80 122.447 0.738 -0.029 1.00 0.00 H new ATOM 977 N PRO C 81 123.992 3.167 -0.393 1.00 0.00 N ATOM 978 CA PRO C 81 125.198 3.857 -0.856 1.00 0.00 C ATOM 979 C PRO C 81 126.347 2.917 -1.290 1.00 0.00 C ATOM 980 O PRO C 81 126.430 1.789 -0.791 1.00 0.00 O ATOM 981 CB PRO C 81 125.611 4.823 0.263 1.00 0.00 C ATOM 982 CG PRO C 81 124.637 4.588 1.420 1.00 0.00 C ATOM 983 CD PRO C 81 123.771 3.394 1.028 1.00 0.00 C ATOM 0 HA PRO C 81 124.971 4.397 -1.775 1.00 0.00 H new ATOM 0 HB2 PRO C 81 126.638 4.637 0.577 1.00 0.00 H new ATOM 0 HB3 PRO C 81 125.564 5.857 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO C 81 125.177 4.387 2.346 1.00 0.00 H new ATOM 0 HG3 PRO C 81 124.023 5.471 1.594 1.00 0.00 H new ATOM 0 HD2 PRO C 81 124.042 2.512 1.608 1.00 0.00 H new ATOM 0 HD3 PRO C 81 122.719 3.596 1.229 1.00 0.00 H new ATOM 1006 N GLY C 83 129.987 1.025 -1.445 1.00 0.00 N ATOM 1007 CA GLY C 83 131.054 0.630 -0.523 1.00 0.00 C ATOM 1008 C GLY C 83 132.313 1.503 -0.674 1.00 0.00 C ATOM 1009 O GLY C 83 132.549 2.056 -1.756 1.00 0.00 O ATOM 0 HA2 GLY C 83 130.689 0.698 0.502 1.00 0.00 H new ATOM 0 HA3 GLY C 83 131.315 -0.413 -0.700 1.00 0.00 H new ATOM 1013 N PRO C 84 133.134 1.644 0.383 1.00 0.00 N ATOM 1014 CA PRO C 84 134.324 2.494 0.356 1.00 0.00 C ATOM 1015 C PRO C 84 135.471 1.877 -0.474 1.00 0.00 C ATOM 1016 O PRO C 84 135.515 0.651 -0.647 1.00 0.00 O ATOM 1017 CB PRO C 84 134.722 2.658 1.828 1.00 0.00 C ATOM 1018 CG PRO C 84 134.235 1.363 2.474 1.00 0.00 C ATOM 1019 CD PRO C 84 132.949 1.062 1.706 1.00 0.00 C ATOM 0 HA PRO C 84 134.118 3.450 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO C 84 135.799 2.783 1.941 1.00 0.00 H new ATOM 0 HB3 PRO C 84 134.251 3.533 2.276 1.00 0.00 H new ATOM 0 HG2 PRO C 84 134.965 0.560 2.370 1.00 0.00 H new ATOM 0 HG3 PRO C 84 134.049 1.489 3.541 1.00 0.00 H new ATOM 0 HD2 PRO C 84 132.775 -0.012 1.640 1.00 0.00 H new ATOM 0 HD3 PRO C 84 132.083 1.496 2.207 1.00 0.00 H new ATOM 1042 N GLY C 86 139.039 0.176 -1.093 1.00 0.00 N ATOM 1043 CA GLY C 86 139.825 -0.781 -0.309 1.00 0.00 C ATOM 1044 C GLY C 86 141.053 -0.151 0.375 1.00 0.00 C ATOM 1045 O GLY C 86 141.475 0.950 -0.002 1.00 0.00 O ATOM 0 HA2 GLY C 86 139.185 -1.229 0.451 1.00 0.00 H new ATOM 0 HA3 GLY C 86 140.157 -1.588 -0.962 1.00 0.00 H new ATOM 1049 N PRO C 87 141.647 -0.825 1.379 1.00 0.00 N ATOM 1050 CA PRO C 87 142.843 -0.326 2.053 1.00 0.00 C ATOM 1051 C PRO C 87 144.075 -0.186 1.131 1.00 0.00 C ATOM 1052 O PRO C 87 144.228 -0.971 0.186 1.00 0.00 O ATOM 1053 CB PRO C 87 143.100 -1.255 3.246 1.00 0.00 C ATOM 1054 CG PRO C 87 142.045 -2.360 3.170 1.00 0.00 C ATOM 1055 CD PRO C 87 141.282 -2.148 1.863 1.00 0.00 C ATOM 0 HA PRO C 87 142.669 0.697 2.388 1.00 0.00 H new ATOM 0 HB2 PRO C 87 144.105 -1.674 3.202 1.00 0.00 H new ATOM 0 HB3 PRO C 87 143.023 -0.709 4.186 1.00 0.00 H new ATOM 0 HG2 PRO C 87 142.513 -3.344 3.190 1.00 0.00 H new ATOM 0 HG3 PRO C 87 141.370 -2.311 4.025 1.00 0.00 H new ATOM 0 HD2 PRO C 87 141.544 -2.914 1.133 1.00 0.00 H new ATOM 0 HD3 PRO C 87 140.207 -2.218 2.026 1.00 0.00 H new ATOM 1078 N GLY C 89 147.807 -0.928 -0.108 1.00 0.00 N ATOM 1079 CA GLY C 89 148.586 -2.168 -0.094 1.00 0.00 C ATOM 1080 C GLY C 89 149.672 -2.194 0.995 1.00 0.00 C ATOM 1081 O GLY C 89 150.033 -1.139 1.532 1.00 0.00 O ATOM 0 HA2 GLY C 89 147.911 -3.011 0.056 1.00 0.00 H new ATOM 0 HA3 GLY C 89 149.055 -2.305 -1.068 1.00 0.00 H new ATOM 1085 N PRO C 90 150.226 -3.376 1.327 1.00 0.00 N ATOM 1086 CA PRO C 90 151.290 -3.478 2.321 1.00 0.00 C ATOM 1087 C PRO C 90 152.585 -2.715 1.952 1.00 0.00 C ATOM 1088 O PRO C 90 152.908 -2.613 0.761 1.00 0.00 O ATOM 1089 CB PRO C 90 151.488 -4.972 2.609 1.00 0.00 C ATOM 1090 CG PRO C 90 150.484 -5.709 1.718 1.00 0.00 C ATOM 1091 CD PRO C 90 149.928 -4.676 0.743 1.00 0.00 C ATOM 0 HA PRO C 90 150.994 -2.964 3.236 1.00 0.00 H new ATOM 0 HB2 PRO C 90 152.509 -5.281 2.385 1.00 0.00 H new ATOM 0 HB3 PRO C 90 151.312 -5.193 3.662 1.00 0.00 H new ATOM 0 HG2 PRO C 90 150.968 -6.526 1.183 1.00 0.00 H new ATOM 0 HG3 PRO C 90 149.685 -6.148 2.315 1.00 0.00 H new ATOM 0 HD2 PRO C 90 150.389 -4.778 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO C 90 148.854 -4.806 0.606 1.00 0.00 H new