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+ 177:sc= 1.33 (180deg=1.32) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.15) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= 1.19 (180deg=0.212) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.17) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 1.27 (180deg=0.829) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.04) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.33 (180deg=1.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 84.768 5.823 4.137 1.00 0.00 N ATOM 65 CA LYS A 6 86.008 5.851 3.337 1.00 0.00 C ATOM 66 C LYS A 6 86.996 4.753 3.775 1.00 0.00 C ATOM 67 O LYS A 6 87.105 4.435 4.963 1.00 0.00 O ATOM 68 CB LYS A 6 86.621 7.270 3.453 1.00 0.00 C ATOM 69 CG LYS A 6 87.995 7.421 2.780 1.00 0.00 C ATOM 70 CD LYS A 6 88.411 8.897 2.668 1.00 0.00 C ATOM 71 CE LYS A 6 89.880 9.054 2.246 1.00 0.00 C ATOM 72 NZ LYS A 6 90.819 8.853 3.385 1.00 0.00 N ATOM 0 HA LYS A 6 85.780 5.638 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 6 85.931 7.989 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 6 86.716 7.527 4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 6 88.744 6.874 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 6 87.965 6.974 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.771 9.400 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 6 88.255 9.391 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 6 90.108 8.336 1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 6 90.031 10.048 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 91.799 8.918 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 90.654 9.586 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 90.660 7.914 3.804 1.00 0.00 H new ATOM 86 N GLY A 7 87.729 4.187 2.812 1.00 0.00 N ATOM 87 CA GLY A 7 88.684 3.094 3.035 1.00 0.00 C ATOM 88 C GLY A 7 89.966 3.498 3.793 1.00 0.00 C ATOM 89 O GLY A 7 90.317 4.683 3.833 1.00 0.00 O ATOM 0 H GLY A 7 87.675 4.480 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 7 88.184 2.302 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 7 88.967 2.675 2.069 1.00 0.00 H new ATOM 93 N PRO A 8 90.687 2.526 4.390 1.00 0.00 N ATOM 94 CA PRO A 8 91.900 2.770 5.180 1.00 0.00 C ATOM 95 C PRO A 8 93.160 3.032 4.331 1.00 0.00 C ATOM 96 O PRO A 8 93.262 2.611 3.174 1.00 0.00 O ATOM 97 CB PRO A 8 92.067 1.505 6.032 1.00 0.00 C ATOM 98 CG PRO A 8 91.473 0.412 5.146 1.00 0.00 C ATOM 99 CD PRO A 8 90.293 1.126 4.494 1.00 0.00 C ATOM 0 HA PRO A 8 91.789 3.679 5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 8 93.114 1.311 6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 8 91.539 1.586 6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 8 92.190 0.053 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 8 91.154 -0.453 5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 8 90.076 0.706 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 8 89.390 1.017 5.094 1.00 0.00 H new ATOM 107 N LYS A 9 94.153 3.696 4.938 1.00 0.00 N ATOM 108 CA LYS A 9 95.494 3.940 4.370 1.00 0.00 C ATOM 109 C LYS A 9 96.255 2.629 4.096 1.00 0.00 C ATOM 110 O LYS A 9 96.184 1.687 4.891 1.00 0.00 O ATOM 111 CB LYS A 9 96.263 4.858 5.342 1.00 0.00 C ATOM 112 CG LYS A 9 97.643 5.299 4.827 1.00 0.00 C ATOM 113 CD LYS A 9 98.331 6.230 5.837 1.00 0.00 C ATOM 114 CE LYS A 9 99.817 6.461 5.519 1.00 0.00 C ATOM 115 NZ LYS A 9 100.046 7.318 4.325 1.00 0.00 N ATOM 0 H LYS A 9 94.045 4.094 5.871 1.00 0.00 H new ATOM 0 HA LYS A 9 95.396 4.428 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 9 95.661 5.744 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 9 96.390 4.339 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 9 98.267 4.423 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 9 97.533 5.810 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 9 97.814 7.189 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 9 98.240 5.805 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 9 100.297 6.921 6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 9 100.300 5.497 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 101.064 7.501 4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 99.691 6.833 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 99.543 8.220 4.444 1.00 0.00 H new ATOM 129 N GLY A 10 97.008 2.582 2.994 1.00 0.00 N ATOM 130 CA GLY A 10 97.861 1.441 2.627 1.00 0.00 C ATOM 131 C GLY A 10 99.161 1.325 3.453 1.00 0.00 C ATOM 132 O GLY A 10 99.569 2.290 4.107 1.00 0.00 O ATOM 0 H GLY A 10 97.045 3.346 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 10 97.287 0.522 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 10 98.121 1.522 1.572 1.00 0.00 H new ATOM 136 N PRO A 11 99.834 0.157 3.439 1.00 0.00 N ATOM 137 CA PRO A 11 101.035 -0.098 4.244 1.00 0.00 C ATOM 138 C PRO A 11 102.306 0.565 3.685 1.00 0.00 C ATOM 139 O PRO A 11 102.424 0.830 2.485 1.00 0.00 O ATOM 140 CB PRO A 11 101.183 -1.624 4.254 1.00 0.00 C ATOM 141 CG PRO A 11 100.593 -2.032 2.906 1.00 0.00 C ATOM 142 CD PRO A 11 99.425 -1.060 2.748 1.00 0.00 C ATOM 0 HA PRO A 11 100.920 0.332 5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 11 102.225 -1.928 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 11 100.643 -2.077 5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 11 101.318 -1.930 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 11 100.260 -3.070 2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 11 99.218 -0.863 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 11 98.512 -1.469 3.181 1.00 0.00 H new ATOM 150 N LYS A 12 103.295 0.776 4.563 1.00 0.00 N ATOM 151 CA LYS A 12 104.649 1.236 4.211 1.00 0.00 C ATOM 152 C LYS A 12 105.330 0.288 3.203 1.00 0.00 C ATOM 153 O LYS A 12 105.186 -0.935 3.297 1.00 0.00 O ATOM 154 CB LYS A 12 105.464 1.380 5.510 1.00 0.00 C ATOM 155 CG LYS A 12 106.803 2.094 5.286 1.00 0.00 C ATOM 156 CD LYS A 12 107.622 2.211 6.580 1.00 0.00 C ATOM 157 CE LYS A 12 108.819 3.145 6.353 1.00 0.00 C ATOM 158 NZ LYS A 12 109.719 3.199 7.536 1.00 0.00 N ATOM 0 H LYS A 12 103.175 0.628 5.565 1.00 0.00 H new ATOM 0 HA LYS A 12 104.589 2.204 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 12 104.878 1.934 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.649 0.392 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 12 107.382 1.551 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 12 106.619 3.090 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 12 106.996 2.596 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 12 107.971 1.226 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 12 109.383 2.806 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 12 108.458 4.148 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 110.202 4.120 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 109.159 3.076 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 110.426 2.439 7.469 1.00 0.00 H new ATOM 172 N GLY A 13 106.077 0.850 2.250 1.00 0.00 N ATOM 173 CA GLY A 13 106.797 0.098 1.211 1.00 0.00 C ATOM 174 C GLY A 13 108.017 -0.707 1.707 1.00 0.00 C ATOM 175 O GLY A 13 108.437 -0.556 2.860 1.00 0.00 O ATOM 0 H GLY A 13 106.203 1.859 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.099 -0.589 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.131 0.798 0.445 1.00 0.00 H new ATOM 179 N PRO A 14 108.604 -1.567 0.849 1.00 0.00 N ATOM 180 CA PRO A 14 109.726 -2.440 1.208 1.00 0.00 C ATOM 181 C PRO A 14 111.076 -1.702 1.259 1.00 0.00 C ATOM 182 O PRO A 14 111.318 -0.744 0.518 1.00 0.00 O ATOM 183 CB PRO A 14 109.737 -3.526 0.126 1.00 0.00 C ATOM 184 CG PRO A 14 109.213 -2.789 -1.104 1.00 0.00 C ATOM 185 CD PRO A 14 108.166 -1.844 -0.513 1.00 0.00 C ATOM 0 HA PRO A 14 109.596 -2.841 2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 14 110.739 -3.923 -0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 14 109.100 -4.369 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 14 110.006 -2.244 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 14 108.775 -3.474 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 14 108.095 -0.925 -1.095 1.00 0.00 H new ATOM 0 HD3 PRO A 14 107.177 -2.303 -0.520 1.00 0.00 H new ATOM 193 N LYS A 15 111.987 -2.188 2.111 1.00 0.00 N ATOM 194 CA LYS A 15 113.366 -1.686 2.243 1.00 0.00 C ATOM 195 C LYS A 15 114.134 -1.759 0.908 1.00 0.00 C ATOM 196 O LYS A 15 114.022 -2.746 0.174 1.00 0.00 O ATOM 197 CB LYS A 15 114.065 -2.497 3.354 1.00 0.00 C ATOM 198 CG LYS A 15 115.484 -2.001 3.669 1.00 0.00 C ATOM 199 CD LYS A 15 116.076 -2.786 4.848 1.00 0.00 C ATOM 200 CE LYS A 15 117.585 -2.556 5.008 1.00 0.00 C ATOM 201 NZ LYS A 15 117.930 -1.181 5.460 1.00 0.00 N ATOM 0 H LYS A 15 111.783 -2.961 2.745 1.00 0.00 H new ATOM 0 HA LYS A 15 113.348 -0.631 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 15 113.462 -2.451 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 15 114.112 -3.544 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 15 116.120 -2.117 2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 15 115.460 -0.938 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 15 115.568 -2.494 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 15 115.887 -3.850 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 15 117.980 -3.276 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 15 118.078 -2.751 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 118.964 -1.078 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 117.537 -0.487 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 117.530 -1.016 6.406 1.00 0.00 H new ATOM 215 N GLY A 16 114.928 -0.728 0.604 1.00 0.00 N ATOM 216 CA GLY A 16 115.757 -0.656 -0.606 1.00 0.00 C ATOM 217 C GLY A 16 116.942 -1.642 -0.619 1.00 0.00 C ATOM 218 O GLY A 16 117.353 -2.127 0.441 1.00 0.00 O ATOM 0 H GLY A 16 115.015 0.094 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 115.129 -0.849 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 16 116.142 0.359 -0.710 1.00 0.00 H new ATOM 222 N PRO A 17 117.515 -1.949 -1.799 1.00 0.00 N ATOM 223 CA PRO A 17 118.624 -2.898 -1.934 1.00 0.00 C ATOM 224 C PRO A 17 119.973 -2.309 -1.484 1.00 0.00 C ATOM 225 O PRO A 17 120.213 -1.103 -1.574 1.00 0.00 O ATOM 226 CB PRO A 17 118.640 -3.274 -3.419 1.00 0.00 C ATOM 227 CG PRO A 17 118.105 -2.019 -4.107 1.00 0.00 C ATOM 228 CD PRO A 17 117.078 -1.485 -3.109 1.00 0.00 C ATOM 0 HA PRO A 17 118.480 -3.764 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 17 119.645 -3.522 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 17 118.012 -4.142 -3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 17 118.897 -1.295 -4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 17 117.649 -2.251 -5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 17 117.031 -0.397 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 17 116.079 -1.855 -3.341 1.00 0.00 H new ATOM 236 N LYS A 18 120.880 -3.173 -1.013 1.00 0.00 N ATOM 237 CA LYS A 18 122.242 -2.823 -0.563 1.00 0.00 C ATOM 238 C LYS A 18 123.096 -2.190 -1.678 1.00 0.00 C ATOM 239 O LYS A 18 122.942 -2.524 -2.855 1.00 0.00 O ATOM 240 CB LYS A 18 122.881 -4.106 -0.002 1.00 0.00 C ATOM 241 CG LYS A 18 124.255 -3.887 0.643 1.00 0.00 C ATOM 242 CD LYS A 18 124.756 -5.182 1.292 1.00 0.00 C ATOM 243 CE LYS A 18 126.244 -5.049 1.631 1.00 0.00 C ATOM 244 NZ LYS A 18 126.779 -6.299 2.231 1.00 0.00 N ATOM 0 H LYS A 18 120.684 -4.171 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 18 122.187 -2.056 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 18 122.209 -4.541 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 18 122.981 -4.833 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 18 124.968 -3.552 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 18 124.190 -3.099 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 18 124.185 -5.391 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 18 124.601 -6.022 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 18 126.804 -4.809 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 18 126.388 -4.221 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 127.786 -6.396 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 126.671 -6.262 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 126.255 -7.116 1.857 1.00 0.00 H new ATOM 258 N GLY A 19 124.019 -1.299 -1.302 1.00 0.00 N ATOM 259 CA GLY A 19 124.943 -0.631 -2.231 1.00 0.00 C ATOM 260 C GLY A 19 126.095 -1.515 -2.756 1.00 0.00 C ATOM 261 O GLY A 19 126.359 -2.587 -2.200 1.00 0.00 O ATOM 0 H GLY A 19 124.149 -1.016 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 19 124.373 -0.260 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 19 125.371 0.238 -1.731 1.00 0.00 H new ATOM 265 N PRO A 20 126.805 -1.076 -3.815 1.00 0.00 N ATOM 266 CA PRO A 20 127.915 -1.822 -4.424 1.00 0.00 C ATOM 267 C PRO A 20 129.234 -1.697 -3.636 1.00 0.00 C ATOM 268 O PRO A 20 129.449 -0.731 -2.900 1.00 0.00 O ATOM 269 CB PRO A 20 128.056 -1.220 -5.828 1.00 0.00 C ATOM 270 CG PRO A 20 127.647 0.238 -5.621 1.00 0.00 C ATOM 271 CD PRO A 20 126.529 0.133 -4.583 1.00 0.00 C ATOM 0 HA PRO A 20 127.705 -2.892 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 20 129.076 -1.303 -6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 20 127.410 -1.722 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 20 128.478 0.844 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 20 127.298 0.695 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 20 126.513 1.011 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 20 125.553 0.075 -5.065 1.00 0.00 H new ATOM 279 N LYS A 21 130.144 -2.664 -3.816 1.00 0.00 N ATOM 280 CA LYS A 21 131.481 -2.682 -3.190 1.00 0.00 C ATOM 281 C LYS A 21 132.306 -1.426 -3.544 1.00 0.00 C ATOM 282 O LYS A 21 132.274 -0.957 -4.685 1.00 0.00 O ATOM 283 CB LYS A 21 132.212 -3.975 -3.610 1.00 0.00 C ATOM 284 CG LYS A 21 133.488 -4.188 -2.780 1.00 0.00 C ATOM 285 CD LYS A 21 134.371 -5.364 -3.219 1.00 0.00 C ATOM 286 CE LYS A 21 135.080 -5.052 -4.546 1.00 0.00 C ATOM 287 NZ LYS A 21 136.055 -6.116 -4.919 1.00 0.00 N ATOM 0 H LYS A 21 129.972 -3.474 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 21 131.361 -2.668 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 21 131.547 -4.829 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 21 132.468 -3.924 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 21 134.083 -3.275 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 21 133.203 -4.339 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 21 135.111 -5.576 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 21 133.761 -6.260 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 21 134.338 -4.946 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 135.599 -4.097 -4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 136.218 -6.093 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 136.954 -5.953 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 135.674 -7.046 -4.650 1.00 0.00 H new ATOM 301 N GLY A 22 133.073 -0.910 -2.578 1.00 0.00 N ATOM 302 CA GLY A 22 134.014 0.203 -2.778 1.00 0.00 C ATOM 303 C GLY A 22 135.267 -0.145 -3.612 1.00 0.00 C ATOM 304 O GLY A 22 135.564 -1.326 -3.826 1.00 0.00 O ATOM 0 H GLY A 22 133.059 -1.258 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 22 133.486 1.022 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 22 134.335 0.568 -1.802 1.00 0.00 H new ATOM 308 N PRO A 23 136.024 0.867 -4.081 1.00 0.00 N ATOM 309 CA PRO A 23 137.234 0.679 -4.890 1.00 0.00 C ATOM 310 C PRO A 23 138.458 0.246 -4.061 1.00 0.00 C ATOM 311 O PRO A 23 138.538 0.490 -2.854 1.00 0.00 O ATOM 312 CB PRO A 23 137.475 2.041 -5.552 1.00 0.00 C ATOM 313 CG PRO A 23 136.936 3.026 -4.516 1.00 0.00 C ATOM 314 CD PRO A 23 135.726 2.288 -3.944 1.00 0.00 C ATOM 0 HA PRO A 23 137.095 -0.127 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 23 138.532 2.209 -5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 23 136.949 2.127 -6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 23 137.675 3.248 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 23 136.653 3.976 -4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 23 135.564 2.554 -2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 23 134.817 2.550 -4.485 1.00 0.00 H new ATOM 322 N LYS A 24 139.447 -0.363 -4.727 1.00 0.00 N ATOM 323 CA LYS A 24 140.749 -0.759 -4.153 1.00 0.00 C ATOM 324 C LYS A 24 141.507 0.434 -3.534 1.00 0.00 C ATOM 325 O LYS A 24 141.465 1.548 -4.065 1.00 0.00 O ATOM 326 CB LYS A 24 141.561 -1.434 -5.278 1.00 0.00 C ATOM 327 CG LYS A 24 142.938 -1.948 -4.834 1.00 0.00 C ATOM 328 CD LYS A 24 143.653 -2.645 -5.999 1.00 0.00 C ATOM 329 CE LYS A 24 145.104 -2.958 -5.617 1.00 0.00 C ATOM 330 NZ LYS A 24 145.837 -3.595 -6.741 1.00 0.00 N ATOM 0 H LYS A 24 139.365 -0.604 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 24 140.592 -1.454 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 24 140.985 -2.269 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 24 141.696 -0.722 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 24 143.544 -1.117 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 24 142.822 -2.643 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 24 143.130 -3.566 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 24 143.631 -2.007 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 24 145.611 -2.038 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 24 145.119 -3.619 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 146.810 -3.809 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 145.357 -4.476 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 145.858 -2.946 -7.554 1.00 0.00 H new ATOM 344 N GLY A 25 142.222 0.191 -2.431 1.00 0.00 N ATOM 345 CA GLY A 25 143.031 1.200 -1.728 1.00 0.00 C ATOM 346 C GLY A 25 144.384 1.532 -2.395 1.00 0.00 C ATOM 347 O GLY A 25 144.823 0.818 -3.303 1.00 0.00 O ATOM 0 H GLY A 25 142.257 -0.729 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 25 142.449 2.118 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 25 143.220 0.850 -0.713 1.00 0.00 H new ATOM 351 N PRO A 26 145.065 2.612 -1.960 1.00 0.00 N ATOM 352 CA PRO A 26 146.324 3.078 -2.554 1.00 0.00 C ATOM 353 C PRO A 26 147.542 2.223 -2.157 1.00 0.00 C ATOM 354 O PRO A 26 147.558 1.571 -1.107 1.00 0.00 O ATOM 355 CB PRO A 26 146.477 4.522 -2.060 1.00 0.00 C ATOM 356 CG PRO A 26 145.794 4.495 -0.696 1.00 0.00 C ATOM 357 CD PRO A 26 144.627 3.534 -0.918 1.00 0.00 C ATOM 0 HA PRO A 26 146.288 3.002 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 26 147.525 4.812 -1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 26 146.000 5.232 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 26 146.466 4.141 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 26 145.451 5.485 -0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 26 144.381 2.999 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 26 143.730 4.072 -1.224 1.00 0.00 H new ATOM 365 N LYS A 27 148.597 2.263 -2.983 1.00 0.00 N ATOM 366 CA LYS A 27 149.889 1.605 -2.714 1.00 0.00 C ATOM 367 C LYS A 27 150.522 2.133 -1.409 1.00 0.00 C ATOM 368 O LYS A 27 150.435 3.328 -1.104 1.00 0.00 O ATOM 369 CB LYS A 27 150.809 1.801 -3.940 1.00 0.00 C ATOM 370 CG LYS A 27 152.138 1.041 -3.801 1.00 0.00 C ATOM 371 CD LYS A 27 152.971 1.090 -5.090 1.00 0.00 C ATOM 372 CE LYS A 27 154.338 0.434 -4.848 1.00 0.00 C ATOM 373 NZ LYS A 27 155.187 0.443 -6.071 1.00 0.00 N ATOM 0 H LYS A 27 148.579 2.761 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 27 149.738 0.536 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 27 150.292 1.462 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 27 151.013 2.864 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 152.715 1.468 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 27 151.935 0.002 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 27 152.446 0.573 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 27 153.104 2.124 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 154.855 0.959 -4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 27 154.193 -0.594 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 156.100 -0.009 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 154.707 -0.080 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 155.348 1.425 -6.375 1.00 0.00 H new ATOM 387 N GLY A 28 151.137 1.236 -0.634 1.00 0.00 N ATOM 388 CA GLY A 28 151.641 1.526 0.717 1.00 0.00 C ATOM 389 C GLY A 28 152.793 2.552 0.800 1.00 0.00 C ATOM 390 O GLY A 28 153.482 2.797 -0.197 1.00 0.00 O ATOM 0 H GLY A 28 151.303 0.274 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 28 150.811 1.890 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 28 151.979 0.592 1.166 1.00 0.00 H new ATOM 394 N PRO A 29 153.025 3.150 1.989 1.00 0.00 N ATOM 395 CA PRO A 29 154.026 4.204 2.197 1.00 0.00 C ATOM 396 C PRO A 29 155.478 3.701 2.132 1.00 0.00 C ATOM 397 O PRO A 29 155.765 2.527 2.389 1.00 0.00 O ATOM 398 CB PRO A 29 153.700 4.808 3.571 1.00 0.00 C ATOM 399 CG PRO A 29 152.986 3.682 4.317 1.00 0.00 C ATOM 400 CD PRO A 29 152.250 2.937 3.206 1.00 0.00 C ATOM 0 HA PRO A 29 153.969 4.940 1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 29 154.604 5.120 4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 29 153.065 5.689 3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 29 153.691 3.034 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 29 152.296 4.070 5.067 1.00 0.00 H new ATOM 0 HD2 PRO A 29 152.171 1.874 3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 29 151.234 3.315 3.091 1.00 0.00 H new ATOM 508 N GLY B 39 90.761 4.538 0.026 1.00 0.00 N ATOM 509 CA GLY B 39 91.780 4.968 0.991 1.00 0.00 C ATOM 510 C GLY B 39 93.085 5.477 0.354 1.00 0.00 C ATOM 511 O GLY B 39 93.328 5.315 -0.844 1.00 0.00 O ATOM 0 HA2 GLY B 39 91.362 5.759 1.614 1.00 0.00 H new ATOM 0 HA3 GLY B 39 92.014 4.132 1.650 1.00 0.00 H new ATOM 515 N ASP B 40 93.923 6.125 1.167 1.00 0.00 N ATOM 516 CA ASP B 40 95.152 6.805 0.743 1.00 0.00 C ATOM 517 C ASP B 40 96.378 5.871 0.567 1.00 0.00 C ATOM 518 O ASP B 40 96.488 4.864 1.275 1.00 0.00 O ATOM 519 CB ASP B 40 95.470 7.875 1.795 1.00 0.00 C ATOM 520 CG ASP B 40 94.435 9.009 1.787 1.00 0.00 C ATOM 521 OD1 ASP B 40 94.576 9.949 0.967 1.00 0.00 O ATOM 522 OD2 ASP B 40 93.477 8.958 2.596 1.00 0.00 O ATOM 0 H ASP B 40 93.760 6.194 2.172 1.00 0.00 H new ATOM 0 HA ASP B 40 94.968 7.227 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP B 40 95.498 7.416 2.783 1.00 0.00 H new ATOM 0 HB3 ASP B 40 96.461 8.287 1.606 1.00 0.00 H new ATOM 542 N GLY B 42 100.242 4.287 0.920 1.00 0.00 N ATOM 543 CA GLY B 42 101.253 4.098 1.966 1.00 0.00 C ATOM 544 C GLY B 42 102.546 4.900 1.742 1.00 0.00 C ATOM 545 O GLY B 42 102.805 5.415 0.651 1.00 0.00 O ATOM 0 HA2 GLY B 42 100.824 4.382 2.927 1.00 0.00 H new ATOM 0 HA3 GLY B 42 101.502 3.039 2.029 1.00 0.00 H new ATOM 549 N ASP B 43 103.356 5.020 2.795 1.00 0.00 N ATOM 550 CA ASP B 43 104.619 5.775 2.802 1.00 0.00 C ATOM 551 C ASP B 43 105.813 4.978 2.214 1.00 0.00 C ATOM 552 O ASP B 43 105.790 3.742 2.226 1.00 0.00 O ATOM 553 CB ASP B 43 104.902 6.227 4.244 1.00 0.00 C ATOM 554 CG ASP B 43 104.088 7.479 4.628 1.00 0.00 C ATOM 555 OD1 ASP B 43 102.834 7.453 4.558 1.00 0.00 O ATOM 556 OD2 ASP B 43 104.708 8.505 4.999 1.00 0.00 O ATOM 0 H ASP B 43 103.150 4.584 3.694 1.00 0.00 H new ATOM 0 HA ASP B 43 104.506 6.640 2.148 1.00 0.00 H new ATOM 0 HB2 ASP B 43 104.664 5.415 4.931 1.00 0.00 H new ATOM 0 HB3 ASP B 43 105.966 6.438 4.356 1.00 0.00 H new ATOM 576 N GLY B 45 109.387 2.966 1.543 1.00 0.00 N ATOM 577 CA GLY B 45 110.300 2.077 2.268 1.00 0.00 C ATOM 578 C GLY B 45 111.595 2.746 2.748 1.00 0.00 C ATOM 579 O GLY B 45 111.996 3.802 2.255 1.00 0.00 O ATOM 0 HA2 GLY B 45 109.777 1.666 3.132 1.00 0.00 H new ATOM 0 HA3 GLY B 45 110.558 1.237 1.622 1.00 0.00 H new ATOM 583 N ASP B 46 112.255 2.119 3.724 1.00 0.00 N ATOM 584 CA ASP B 46 113.537 2.566 4.268 1.00 0.00 C ATOM 585 C ASP B 46 114.697 2.370 3.261 1.00 0.00 C ATOM 586 O ASP B 46 114.664 1.415 2.478 1.00 0.00 O ATOM 587 CB ASP B 46 113.798 1.779 5.558 1.00 0.00 C ATOM 588 CG ASP B 46 112.859 2.223 6.690 1.00 0.00 C ATOM 589 OD1 ASP B 46 113.069 3.320 7.258 1.00 0.00 O ATOM 590 OD2 ASP B 46 111.884 1.499 7.005 1.00 0.00 O ATOM 0 H ASP B 46 111.905 1.269 4.167 1.00 0.00 H new ATOM 0 HA ASP B 46 113.489 3.636 4.473 1.00 0.00 H new ATOM 0 HB2 ASP B 46 113.663 0.714 5.369 1.00 0.00 H new ATOM 0 HB3 ASP B 46 114.834 1.919 5.867 1.00 0.00 H new ATOM 610 N GLY B 48 118.338 1.262 1.521 1.00 0.00 N ATOM 611 CA GLY B 48 119.306 0.163 1.604 1.00 0.00 C ATOM 612 C GLY B 48 120.581 0.531 2.370 1.00 0.00 C ATOM 613 O GLY B 48 120.912 1.703 2.540 1.00 0.00 O ATOM 0 HA2 GLY B 48 118.834 -0.691 2.089 1.00 0.00 H new ATOM 0 HA3 GLY B 48 119.575 -0.151 0.596 1.00 0.00 H new ATOM 617 N ASP B 49 121.291 -0.484 2.853 1.00 0.00 N ATOM 618 CA ASP B 49 122.534 -0.331 3.611 1.00 0.00 C ATOM 619 C ASP B 49 123.752 -0.039 2.705 1.00 0.00 C ATOM 620 O ASP B 49 123.755 -0.440 1.534 1.00 0.00 O ATOM 621 CB ASP B 49 122.758 -1.608 4.435 1.00 0.00 C ATOM 622 CG ASP B 49 121.917 -1.630 5.725 1.00 0.00 C ATOM 623 OD1 ASP B 49 120.665 -1.614 5.641 1.00 0.00 O ATOM 624 OD2 ASP B 49 122.508 -1.646 6.833 1.00 0.00 O ATOM 0 H ASP B 49 121.015 -1.458 2.727 1.00 0.00 H new ATOM 0 HA ASP B 49 122.436 0.533 4.268 1.00 0.00 H new ATOM 0 HB2 ASP B 49 122.509 -2.478 3.827 1.00 0.00 H new ATOM 0 HB3 ASP B 49 123.814 -1.691 4.692 1.00 0.00 H new ATOM 644 N GLY B 51 127.363 -0.370 0.809 1.00 0.00 N ATOM 645 CA GLY B 51 128.164 -1.472 0.263 1.00 0.00 C ATOM 646 C GLY B 51 129.391 -1.839 1.115 1.00 0.00 C ATOM 647 O GLY B 51 129.776 -1.113 2.035 1.00 0.00 O ATOM 0 HA2 GLY B 51 127.529 -2.352 0.161 1.00 0.00 H new ATOM 0 HA3 GLY B 51 128.498 -1.202 -0.739 1.00 0.00 H new ATOM 651 N ASP B 52 130.016 -2.980 0.811 1.00 0.00 N ATOM 652 CA ASP B 52 131.218 -3.452 1.503 1.00 0.00 C ATOM 653 C ASP B 52 132.488 -2.625 1.188 1.00 0.00 C ATOM 654 O ASP B 52 132.634 -2.127 0.064 1.00 0.00 O ATOM 655 CB ASP B 52 131.441 -4.929 1.163 1.00 0.00 C ATOM 656 CG ASP B 52 130.539 -5.839 2.002 1.00 0.00 C ATOM 657 OD1 ASP B 52 130.912 -6.166 3.152 1.00 0.00 O ATOM 658 OD2 ASP B 52 129.444 -6.224 1.531 1.00 0.00 O ATOM 0 H ASP B 52 129.699 -3.607 0.072 1.00 0.00 H new ATOM 0 HA ASP B 52 131.045 -3.324 2.571 1.00 0.00 H new ATOM 0 HB2 ASP B 52 131.242 -5.094 0.104 1.00 0.00 H new ATOM 0 HB3 ASP B 52 132.485 -5.190 1.336 1.00 0.00 H new ATOM 678 N GLY B 54 136.260 -1.733 -0.005 1.00 0.00 N ATOM 679 CA GLY B 54 137.164 -2.190 -1.064 1.00 0.00 C ATOM 680 C GLY B 54 138.381 -2.992 -0.595 1.00 0.00 C ATOM 681 O GLY B 54 138.701 -3.075 0.593 1.00 0.00 O ATOM 0 HA2 GLY B 54 136.595 -2.803 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY B 54 137.516 -1.319 -1.617 1.00 0.00 H new ATOM 685 N ASP B 55 139.068 -3.598 -1.564 1.00 0.00 N ATOM 686 CA ASP B 55 140.250 -4.430 -1.346 1.00 0.00 C ATOM 687 C ASP B 55 141.477 -3.612 -0.877 1.00 0.00 C ATOM 688 O ASP B 55 141.668 -2.478 -1.337 1.00 0.00 O ATOM 689 CB ASP B 55 140.565 -5.160 -2.657 1.00 0.00 C ATOM 690 CG ASP B 55 139.534 -6.262 -2.951 1.00 0.00 C ATOM 691 OD1 ASP B 55 139.738 -7.413 -2.496 1.00 0.00 O ATOM 692 OD2 ASP B 55 138.516 -5.981 -3.630 1.00 0.00 O ATOM 0 H ASP B 55 138.810 -3.521 -2.548 1.00 0.00 H new ATOM 0 HA ASP B 55 140.034 -5.139 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP B 55 140.578 -4.444 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP B 55 141.561 -5.598 -2.600 1.00 0.00 H new ATOM 712 N GLY B 57 145.240 -2.076 -0.703 1.00 0.00 N ATOM 713 CA GLY B 57 146.270 -1.685 -1.672 1.00 0.00 C ATOM 714 C GLY B 57 147.501 -2.607 -1.676 1.00 0.00 C ATOM 715 O GLY B 57 147.719 -3.391 -0.749 1.00 0.00 O ATOM 0 HA2 GLY B 57 145.832 -1.675 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY B 57 146.591 -0.666 -1.455 1.00 0.00 H new ATOM 719 N ASP B 58 148.326 -2.510 -2.723 1.00 0.00 N ATOM 720 CA ASP B 58 149.593 -3.241 -2.823 1.00 0.00 C ATOM 721 C ASP B 58 150.679 -2.682 -1.872 1.00 0.00 C ATOM 722 O ASP B 58 150.658 -1.487 -1.555 1.00 0.00 O ATOM 723 CB ASP B 58 150.074 -3.197 -4.279 1.00 0.00 C ATOM 724 CG ASP B 58 149.346 -4.235 -5.144 1.00 0.00 C ATOM 725 OD1 ASP B 58 149.636 -5.447 -5.004 1.00 0.00 O ATOM 726 OD2 ASP B 58 148.482 -3.845 -5.966 1.00 0.00 O ATOM 0 H ASP B 58 148.132 -1.918 -3.531 1.00 0.00 H new ATOM 0 HA ASP B 58 149.418 -4.271 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP B 58 149.908 -2.200 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP B 58 151.148 -3.381 -4.314 1.00 0.00 H new ATOM 898 N GLY C 74 102.989 1.711 -0.254 1.00 0.00 N ATOM 899 CA GLY C 74 104.025 2.687 -0.607 1.00 0.00 C ATOM 900 C GLY C 74 105.157 2.097 -1.473 1.00 0.00 C ATOM 901 O GLY C 74 105.300 0.871 -1.553 1.00 0.00 O ATOM 0 HA2 GLY C 74 103.564 3.517 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY C 74 104.454 3.097 0.308 1.00 0.00 H new ATOM 905 N PRO C 75 105.972 2.948 -2.125 1.00 0.00 N ATOM 906 CA PRO C 75 107.031 2.508 -3.036 1.00 0.00 C ATOM 907 C PRO C 75 108.278 1.959 -2.302 1.00 0.00 C ATOM 908 O PRO C 75 108.484 2.269 -1.122 1.00 0.00 O ATOM 909 CB PRO C 75 107.379 3.754 -3.861 1.00 0.00 C ATOM 910 CG PRO C 75 107.089 4.902 -2.897 1.00 0.00 C ATOM 911 CD PRO C 75 105.867 4.401 -2.130 1.00 0.00 C ATOM 0 HA PRO C 75 106.691 1.675 -3.650 1.00 0.00 H new ATOM 0 HB2 PRO C 75 108.422 3.748 -4.179 1.00 0.00 H new ATOM 0 HB3 PRO C 75 106.771 3.822 -4.763 1.00 0.00 H new ATOM 0 HG2 PRO C 75 107.932 5.095 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO C 75 106.881 5.832 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO C 75 105.854 4.796 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO C 75 104.944 4.725 -2.610 1.00 0.00 H new ATOM 934 N GLY C 77 112.166 1.712 -0.959 1.00 0.00 N ATOM 935 CA GLY C 77 113.250 2.628 -0.577 1.00 0.00 C ATOM 936 C GLY C 77 114.390 2.680 -1.615 1.00 0.00 C ATOM 937 O GLY C 77 114.498 1.781 -2.458 1.00 0.00 O ATOM 0 HA2 GLY C 77 112.842 3.630 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY C 77 113.657 2.319 0.386 1.00 0.00 H new ATOM 941 N PRO C 78 115.260 3.708 -1.571 1.00 0.00 N ATOM 942 CA PRO C 78 116.353 3.872 -2.533 1.00 0.00 C ATOM 943 C PRO C 78 117.498 2.856 -2.313 1.00 0.00 C ATOM 944 O PRO C 78 117.698 2.393 -1.181 1.00 0.00 O ATOM 945 CB PRO C 78 116.844 5.311 -2.336 1.00 0.00 C ATOM 946 CG PRO C 78 116.527 5.596 -0.870 1.00 0.00 C ATOM 947 CD PRO C 78 115.219 4.836 -0.650 1.00 0.00 C ATOM 0 HA PRO C 78 116.008 3.686 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO C 78 117.910 5.403 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO C 78 116.330 6.005 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO C 78 117.317 5.240 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO C 78 116.411 6.663 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO C 78 115.132 4.496 0.382 1.00 0.00 H new ATOM 0 HD3 PRO C 78 114.357 5.473 -0.849 1.00 0.00 H new ATOM 970 N GLY C 80 121.261 1.565 -1.466 1.00 0.00 N ATOM 971 CA GLY C 80 122.340 2.001 -0.573 1.00 0.00 C ATOM 972 C GLY C 80 123.542 2.613 -1.321 1.00 0.00 C ATOM 973 O GLY C 80 123.724 2.352 -2.517 1.00 0.00 O ATOM 0 HA2 GLY C 80 121.946 2.735 0.130 1.00 0.00 H new ATOM 0 HA3 GLY C 80 122.682 1.149 0.015 1.00 0.00 H new ATOM 977 N PRO C 81 124.383 3.417 -0.641 1.00 0.00 N ATOM 978 CA PRO C 81 125.539 4.074 -1.258 1.00 0.00 C ATOM 979 C PRO C 81 126.713 3.100 -1.512 1.00 0.00 C ATOM 980 O PRO C 81 126.808 2.064 -0.841 1.00 0.00 O ATOM 981 CB PRO C 81 125.935 5.177 -0.270 1.00 0.00 C ATOM 982 CG PRO C 81 125.517 4.603 1.082 1.00 0.00 C ATOM 983 CD PRO C 81 124.243 3.830 0.749 1.00 0.00 C ATOM 0 HA PRO C 81 125.289 4.466 -2.244 1.00 0.00 H new ATOM 0 HB2 PRO C 81 127.004 5.384 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO C 81 125.421 6.114 -0.486 1.00 0.00 H new ATOM 0 HG2 PRO C 81 126.286 3.953 1.499 1.00 0.00 H new ATOM 0 HG3 PRO C 81 125.332 5.389 1.814 1.00 0.00 H new ATOM 0 HD2 PRO C 81 124.127 2.967 1.404 1.00 0.00 H new ATOM 0 HD3 PRO C 81 123.360 4.454 0.885 1.00 0.00 H new ATOM 1006 N GLY C 83 130.255 1.358 -1.043 1.00 0.00 N ATOM 1007 CA GLY C 83 131.097 1.087 0.124 1.00 0.00 C ATOM 1008 C GLY C 83 132.375 1.946 0.167 1.00 0.00 C ATOM 1009 O GLY C 83 132.779 2.502 -0.861 1.00 0.00 O ATOM 0 HA2 GLY C 83 130.518 1.265 1.030 1.00 0.00 H new ATOM 0 HA3 GLY C 83 131.376 0.033 0.125 1.00 0.00 H new ATOM 1013 N PRO C 84 133.041 2.060 1.333 1.00 0.00 N ATOM 1014 CA PRO C 84 134.289 2.812 1.456 1.00 0.00 C ATOM 1015 C PRO C 84 135.470 2.291 0.611 1.00 0.00 C ATOM 1016 O PRO C 84 135.582 1.078 0.399 1.00 0.00 O ATOM 1017 CB PRO C 84 134.610 2.896 2.954 1.00 0.00 C ATOM 1018 CG PRO C 84 133.457 2.190 3.671 1.00 0.00 C ATOM 1019 CD PRO C 84 132.688 1.428 2.597 1.00 0.00 C ATOM 0 HA PRO C 84 134.138 3.803 1.028 1.00 0.00 H new ATOM 0 HB2 PRO C 84 135.562 2.414 3.177 1.00 0.00 H new ATOM 0 HB3 PRO C 84 134.694 3.933 3.278 1.00 0.00 H new ATOM 0 HG2 PRO C 84 133.833 1.511 4.436 1.00 0.00 H new ATOM 0 HG3 PRO C 84 132.812 2.911 4.174 1.00 0.00 H new ATOM 0 HD2 PRO C 84 132.960 0.372 2.596 1.00 0.00 H new ATOM 0 HD3 PRO C 84 131.614 1.480 2.774 1.00 0.00 H new ATOM 1042 N GLY C 86 139.127 0.823 -0.049 1.00 0.00 N ATOM 1043 CA GLY C 86 139.926 -0.137 0.718 1.00 0.00 C ATOM 1044 C GLY C 86 141.100 0.503 1.482 1.00 0.00 C ATOM 1045 O GLY C 86 141.520 1.618 1.145 1.00 0.00 O ATOM 0 HA2 GLY C 86 139.278 -0.649 1.429 1.00 0.00 H new ATOM 0 HA3 GLY C 86 140.316 -0.895 0.039 1.00 0.00 H new ATOM 1049 N PRO C 87 141.661 -0.186 2.494 1.00 0.00 N ATOM 1050 CA PRO C 87 142.840 0.295 3.209 1.00 0.00 C ATOM 1051 C PRO C 87 144.110 0.463 2.349 1.00 0.00 C ATOM 1052 O PRO C 87 144.315 -0.311 1.408 1.00 0.00 O ATOM 1053 CB PRO C 87 143.037 -0.637 4.411 1.00 0.00 C ATOM 1054 CG PRO C 87 141.955 -1.714 4.299 1.00 0.00 C ATOM 1055 CD PRO C 87 141.284 -1.518 2.943 1.00 0.00 C ATOM 0 HA PRO C 87 142.662 1.320 3.535 1.00 0.00 H new ATOM 0 HB2 PRO C 87 144.032 -1.082 4.399 1.00 0.00 H new ATOM 0 HB3 PRO C 87 142.944 -0.088 5.348 1.00 0.00 H new ATOM 0 HG2 PRO C 87 142.391 -2.710 4.375 1.00 0.00 H new ATOM 0 HG3 PRO C 87 141.230 -1.620 5.107 1.00 0.00 H new ATOM 0 HD2 PRO C 87 141.613 -2.276 2.232 1.00 0.00 H new ATOM 0 HD3 PRO C 87 140.201 -1.609 3.027 1.00 0.00 H new ATOM 1078 N GLY C 89 148.007 -0.115 1.319 1.00 0.00 N ATOM 1079 CA GLY C 89 148.911 -1.264 1.437 1.00 0.00 C ATOM 1080 C GLY C 89 149.912 -1.149 2.604 1.00 0.00 C ATOM 1081 O GLY C 89 150.133 -0.047 3.123 1.00 0.00 O ATOM 0 HA2 GLY C 89 148.318 -2.169 1.567 1.00 0.00 H new ATOM 0 HA3 GLY C 89 149.465 -1.376 0.505 1.00 0.00 H new ATOM 1085 N PRO C 90 150.546 -2.263 3.018 1.00 0.00 N ATOM 1086 CA PRO C 90 151.548 -2.268 4.089 1.00 0.00 C ATOM 1087 C PRO C 90 152.829 -1.502 3.692 1.00 0.00 C ATOM 1088 O PRO C 90 153.092 -1.318 2.498 1.00 0.00 O ATOM 1089 CB PRO C 90 151.814 -3.749 4.387 1.00 0.00 C ATOM 1090 CG PRO C 90 151.476 -4.449 3.075 1.00 0.00 C ATOM 1091 CD PRO C 90 150.335 -3.609 2.505 1.00 0.00 C ATOM 0 HA PRO C 90 151.190 -1.746 4.977 1.00 0.00 H new ATOM 0 HB2 PRO C 90 152.851 -3.919 4.676 1.00 0.00 H new ATOM 0 HB3 PRO C 90 151.192 -4.111 5.206 1.00 0.00 H new ATOM 0 HG2 PRO C 90 152.332 -4.473 2.401 1.00 0.00 H new ATOM 0 HG3 PRO C 90 151.170 -5.482 3.239 1.00 0.00 H new ATOM 0 HD2 PRO C 90 150.347 -3.619 1.415 1.00 0.00 H new ATOM 0 HD3 PRO C 90 149.367 -4.000 2.817 1.00 0.00 H new