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+ 171:sc= 1.28 (180deg=1.08) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.22) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.16) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 1.22 (180deg=1.09) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 1.31 (180deg=1.09) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.07) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.32 (180deg=1.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 6 84.151 3.849 2.479 1.00 0.00 N ATOM 65 CA LYS A 6 85.514 3.974 1.938 1.00 0.00 C ATOM 66 C LYS A 6 86.265 2.644 2.071 1.00 0.00 C ATOM 67 O LYS A 6 86.158 1.985 3.107 1.00 0.00 O ATOM 68 CB LYS A 6 86.259 5.129 2.634 1.00 0.00 C ATOM 69 CG LYS A 6 87.641 5.395 2.001 1.00 0.00 C ATOM 70 CD LYS A 6 88.389 6.564 2.654 1.00 0.00 C ATOM 71 CE LYS A 6 89.809 6.607 2.080 1.00 0.00 C ATOM 72 NZ LYS A 6 90.617 7.705 2.668 1.00 0.00 N ATOM 0 HA LYS A 6 85.459 4.212 0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 6 85.655 6.035 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 6 86.384 4.894 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 6 88.249 4.494 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 6 87.513 5.602 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.871 7.503 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 88.421 6.438 3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 6 90.304 5.654 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 6 89.759 6.734 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 91.608 7.605 2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 90.247 8.621 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 90.562 7.659 3.706 1.00 0.00 H new ATOM 86 N GLY A 7 87.037 2.255 1.058 1.00 0.00 N ATOM 87 CA GLY A 7 87.865 1.038 1.097 1.00 0.00 C ATOM 88 C GLY A 7 89.052 1.105 2.083 1.00 0.00 C ATOM 89 O GLY A 7 89.505 2.201 2.427 1.00 0.00 O ATOM 0 H GLY A 7 87.110 2.772 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 7 87.233 0.192 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 88.250 0.843 0.096 1.00 0.00 H new ATOM 93 N PRO A 8 89.587 -0.046 2.536 1.00 0.00 N ATOM 94 CA PRO A 8 90.721 -0.100 3.464 1.00 0.00 C ATOM 95 C PRO A 8 92.065 0.268 2.809 1.00 0.00 C ATOM 96 O PRO A 8 92.290 0.046 1.614 1.00 0.00 O ATOM 97 CB PRO A 8 90.736 -1.538 3.996 1.00 0.00 C ATOM 98 CG PRO A 8 90.118 -2.341 2.856 1.00 0.00 C ATOM 99 CD PRO A 8 89.059 -1.385 2.309 1.00 0.00 C ATOM 0 HA PRO A 8 90.599 0.638 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 8 91.749 -1.873 4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 8 90.157 -1.633 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 8 90.857 -2.604 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 8 89.678 -3.274 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 8 88.881 -1.562 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 8 88.106 -1.522 2.819 1.00 0.00 H new ATOM 107 N LYS A 9 92.986 0.801 3.625 1.00 0.00 N ATOM 108 CA LYS A 9 94.380 1.107 3.255 1.00 0.00 C ATOM 109 C LYS A 9 95.190 -0.172 2.970 1.00 0.00 C ATOM 110 O LYS A 9 95.029 -1.182 3.662 1.00 0.00 O ATOM 111 CB LYS A 9 95.001 1.948 4.392 1.00 0.00 C ATOM 112 CG LYS A 9 96.446 2.392 4.117 1.00 0.00 C ATOM 113 CD LYS A 9 96.912 3.410 5.170 1.00 0.00 C ATOM 114 CE LYS A 9 98.406 3.742 5.040 1.00 0.00 C ATOM 115 NZ LYS A 9 99.271 2.683 5.631 1.00 0.00 N ATOM 0 H LYS A 9 92.776 1.040 4.594 1.00 0.00 H new ATOM 0 HA LYS A 9 94.400 1.678 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 9 94.384 2.832 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 9 94.978 1.368 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 9 97.106 1.525 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 9 96.513 2.834 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 9 96.329 4.325 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 9 96.716 3.014 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 9 98.658 3.869 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 9 98.610 4.692 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 100.240 3.045 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 98.899 2.411 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 99.279 1.852 5.006 1.00 0.00 H new ATOM 129 N GLY A 10 96.073 -0.122 1.967 1.00 0.00 N ATOM 130 CA GLY A 10 96.910 -1.260 1.552 1.00 0.00 C ATOM 131 C GLY A 10 98.126 -1.541 2.462 1.00 0.00 C ATOM 132 O GLY A 10 98.507 -0.687 3.271 1.00 0.00 O ATOM 0 H GLY A 10 96.231 0.719 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 10 96.288 -2.155 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 10 97.268 -1.078 0.539 1.00 0.00 H new ATOM 136 N PRO A 11 98.757 -2.728 2.339 1.00 0.00 N ATOM 137 CA PRO A 11 99.896 -3.147 3.165 1.00 0.00 C ATOM 138 C PRO A 11 101.226 -2.486 2.763 1.00 0.00 C ATOM 139 O PRO A 11 101.432 -2.099 1.609 1.00 0.00 O ATOM 140 CB PRO A 11 99.977 -4.668 2.982 1.00 0.00 C ATOM 141 CG PRO A 11 99.438 -4.878 1.568 1.00 0.00 C ATOM 142 CD PRO A 11 98.333 -3.828 1.479 1.00 0.00 C ATOM 0 HA PRO A 11 99.741 -2.844 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 11 101.000 -5.032 3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 11 99.378 -5.195 3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 11 100.208 -4.722 0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 11 99.052 -5.887 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 11 98.197 -3.490 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 11 97.378 -4.237 1.810 1.00 0.00 H new ATOM 150 N LYS A 12 102.163 -2.414 3.719 1.00 0.00 N ATOM 151 CA LYS A 12 103.557 -1.964 3.519 1.00 0.00 C ATOM 152 C LYS A 12 104.288 -2.816 2.460 1.00 0.00 C ATOM 153 O LYS A 12 104.112 -4.037 2.406 1.00 0.00 O ATOM 154 CB LYS A 12 104.275 -2.007 4.887 1.00 0.00 C ATOM 155 CG LYS A 12 105.719 -1.484 4.844 1.00 0.00 C ATOM 156 CD LYS A 12 106.347 -1.475 6.245 1.00 0.00 C ATOM 157 CE LYS A 12 107.810 -1.021 6.153 1.00 0.00 C ATOM 158 NZ LYS A 12 108.506 -1.116 7.463 1.00 0.00 N ATOM 0 H LYS A 12 101.970 -2.675 4.686 1.00 0.00 H new ATOM 0 HA LYS A 12 103.562 -0.944 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 12 103.706 -1.417 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 12 104.281 -3.034 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 12 106.315 -2.109 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 12 105.731 -0.476 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 12 105.789 -0.806 6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 12 106.292 -2.471 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 12 108.334 -1.633 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 12 107.848 0.008 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.515 -0.898 7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 108.086 -0.437 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 108.405 -2.080 7.841 1.00 0.00 H new ATOM 172 N GLY A 13 105.124 -2.173 1.637 1.00 0.00 N ATOM 173 CA GLY A 13 105.922 -2.835 0.594 1.00 0.00 C ATOM 174 C GLY A 13 107.119 -3.648 1.123 1.00 0.00 C ATOM 175 O GLY A 13 107.511 -3.493 2.285 1.00 0.00 O ATOM 0 H GLY A 13 105.269 -1.164 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 13 105.272 -3.499 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 13 106.291 -2.078 -0.098 1.00 0.00 H new ATOM 179 N PRO A 14 107.724 -4.512 0.286 1.00 0.00 N ATOM 180 CA PRO A 14 108.844 -5.369 0.682 1.00 0.00 C ATOM 181 C PRO A 14 110.168 -4.599 0.825 1.00 0.00 C ATOM 182 O PRO A 14 110.404 -3.593 0.147 1.00 0.00 O ATOM 183 CB PRO A 14 108.940 -6.430 -0.422 1.00 0.00 C ATOM 184 CG PRO A 14 108.430 -5.690 -1.657 1.00 0.00 C ATOM 185 CD PRO A 14 107.328 -4.798 -1.087 1.00 0.00 C ATOM 0 HA PRO A 14 108.670 -5.802 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 14 109.963 -6.781 -0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 14 108.330 -7.304 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 14 109.218 -5.106 -2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 14 108.045 -6.378 -2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 14 107.229 -3.880 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 14 106.361 -5.301 -1.119 1.00 0.00 H new ATOM 193 N LYS A 15 111.069 -5.108 1.676 1.00 0.00 N ATOM 194 CA LYS A 15 112.448 -4.608 1.827 1.00 0.00 C ATOM 195 C LYS A 15 113.193 -4.624 0.477 1.00 0.00 C ATOM 196 O LYS A 15 113.067 -5.581 -0.293 1.00 0.00 O ATOM 197 CB LYS A 15 113.171 -5.464 2.885 1.00 0.00 C ATOM 198 CG LYS A 15 114.520 -4.849 3.295 1.00 0.00 C ATOM 199 CD LYS A 15 115.387 -5.761 4.178 1.00 0.00 C ATOM 200 CE LYS A 15 115.973 -6.924 3.362 1.00 0.00 C ATOM 201 NZ LYS A 15 116.924 -7.737 4.165 1.00 0.00 N ATOM 0 H LYS A 15 110.859 -5.894 2.292 1.00 0.00 H new ATOM 0 HA LYS A 15 112.428 -3.571 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 15 112.536 -5.566 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 15 113.334 -6.467 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 15 115.080 -4.596 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 15 114.334 -3.916 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 15 116.195 -5.181 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 15 114.788 -6.154 4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 15 115.164 -7.560 3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 15 116.483 -6.531 2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 116.946 -8.709 3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 117.875 -7.321 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 116.617 -7.750 5.158 1.00 0.00 H new ATOM 215 N GLY A 16 113.981 -3.582 0.202 1.00 0.00 N ATOM 216 CA GLY A 16 114.800 -3.477 -1.013 1.00 0.00 C ATOM 217 C GLY A 16 115.951 -4.503 -1.101 1.00 0.00 C ATOM 218 O GLY A 16 116.318 -5.112 -0.090 1.00 0.00 O ATOM 0 H GLY A 16 114.071 -2.777 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 16 114.154 -3.599 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 16 115.221 -2.473 -1.067 1.00 0.00 H new ATOM 222 N PRO A 17 116.540 -4.702 -2.297 1.00 0.00 N ATOM 223 CA PRO A 17 117.627 -5.661 -2.518 1.00 0.00 C ATOM 224 C PRO A 17 118.987 -5.156 -2.001 1.00 0.00 C ATOM 225 O PRO A 17 119.229 -3.951 -1.900 1.00 0.00 O ATOM 226 CB PRO A 17 117.654 -5.877 -4.036 1.00 0.00 C ATOM 227 CG PRO A 17 117.181 -4.534 -4.589 1.00 0.00 C ATOM 228 CD PRO A 17 116.149 -4.080 -3.557 1.00 0.00 C ATOM 0 HA PRO A 17 117.452 -6.584 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 17 118.654 -6.128 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 17 116.996 -6.691 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 17 118.002 -3.823 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 17 116.741 -4.639 -5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 17 116.137 -2.994 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 17 115.145 -4.387 -3.849 1.00 0.00 H new ATOM 236 N LYS A 18 119.899 -6.089 -1.702 1.00 0.00 N ATOM 237 CA LYS A 18 121.272 -5.819 -1.229 1.00 0.00 C ATOM 238 C LYS A 18 122.075 -4.939 -2.209 1.00 0.00 C ATOM 239 O LYS A 18 121.934 -5.067 -3.428 1.00 0.00 O ATOM 240 CB LYS A 18 121.955 -7.179 -0.989 1.00 0.00 C ATOM 241 CG LYS A 18 123.340 -7.066 -0.338 1.00 0.00 C ATOM 242 CD LYS A 18 123.939 -8.457 -0.093 1.00 0.00 C ATOM 243 CE LYS A 18 125.395 -8.317 0.365 1.00 0.00 C ATOM 244 NZ LYS A 18 126.032 -9.639 0.593 1.00 0.00 N ATOM 0 H LYS A 18 119.700 -7.086 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 18 121.232 -5.246 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.314 -7.791 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 18 122.052 -7.700 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 18 124.003 -6.487 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 18 123.261 -6.527 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.359 -8.986 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.890 -9.051 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 18 125.961 -7.766 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 18 125.432 -7.732 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 127.066 -9.535 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.745 -10.007 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.732 -10.302 -0.150 1.00 0.00 H new ATOM 258 N GLY A 19 122.937 -4.068 -1.675 1.00 0.00 N ATOM 259 CA GLY A 19 123.816 -3.191 -2.466 1.00 0.00 C ATOM 260 C GLY A 19 124.983 -3.913 -3.175 1.00 0.00 C ATOM 261 O GLY A 19 125.314 -5.050 -2.823 1.00 0.00 O ATOM 0 H GLY A 19 123.048 -3.948 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 19 123.214 -2.679 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 19 124.227 -2.424 -1.809 1.00 0.00 H new ATOM 265 N PRO A 20 125.634 -3.270 -4.166 1.00 0.00 N ATOM 266 CA PRO A 20 126.760 -3.845 -4.912 1.00 0.00 C ATOM 267 C PRO A 20 128.081 -3.832 -4.119 1.00 0.00 C ATOM 268 O PRO A 20 128.342 -2.923 -3.327 1.00 0.00 O ATOM 269 CB PRO A 20 126.865 -2.988 -6.180 1.00 0.00 C ATOM 270 CG PRO A 20 126.357 -1.619 -5.728 1.00 0.00 C ATOM 271 CD PRO A 20 125.258 -1.978 -4.728 1.00 0.00 C ATOM 0 HA PRO A 20 126.585 -4.899 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 20 127.891 -2.935 -6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 20 126.259 -3.394 -6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 20 127.147 -1.027 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 20 125.969 -1.036 -6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 20 125.178 -1.221 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 20 124.286 -2.034 -5.219 1.00 0.00 H new ATOM 279 N LYS A 21 128.940 -4.832 -4.358 1.00 0.00 N ATOM 280 CA LYS A 21 130.289 -4.960 -3.768 1.00 0.00 C ATOM 281 C LYS A 21 131.223 -3.808 -4.188 1.00 0.00 C ATOM 282 O LYS A 21 131.163 -3.333 -5.326 1.00 0.00 O ATOM 283 CB LYS A 21 130.851 -6.344 -4.166 1.00 0.00 C ATOM 284 CG LYS A 21 132.254 -6.635 -3.611 1.00 0.00 C ATOM 285 CD LYS A 21 132.655 -8.097 -3.859 1.00 0.00 C ATOM 286 CE LYS A 21 134.128 -8.362 -3.510 1.00 0.00 C ATOM 287 NZ LYS A 21 135.054 -7.818 -4.541 1.00 0.00 N ATOM 0 H LYS A 21 128.712 -5.602 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 21 130.223 -4.888 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 21 130.166 -7.116 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 21 130.881 -6.413 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 21 132.979 -5.971 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 21 132.276 -6.425 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 21 132.019 -8.752 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 21 132.481 -8.347 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 21 134.358 -7.913 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 21 134.289 -9.435 -3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 136.033 -7.882 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 134.959 -8.369 -5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 134.817 -6.823 -4.730 1.00 0.00 H new ATOM 301 N GLY A 22 132.100 -3.377 -3.276 1.00 0.00 N ATOM 302 CA GLY A 22 133.039 -2.264 -3.494 1.00 0.00 C ATOM 303 C GLY A 22 134.278 -2.618 -4.346 1.00 0.00 C ATOM 304 O GLY A 22 134.610 -3.800 -4.493 1.00 0.00 O ATOM 0 H GLY A 22 132.181 -3.796 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 22 132.505 -1.446 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 22 133.375 -1.896 -2.525 1.00 0.00 H new ATOM 308 N PRO A 23 134.985 -1.611 -4.900 1.00 0.00 N ATOM 309 CA PRO A 23 136.174 -1.804 -5.738 1.00 0.00 C ATOM 310 C PRO A 23 137.447 -2.134 -4.935 1.00 0.00 C ATOM 311 O PRO A 23 137.569 -1.811 -3.750 1.00 0.00 O ATOM 312 CB PRO A 23 136.337 -0.482 -6.500 1.00 0.00 C ATOM 313 CG PRO A 23 135.780 0.550 -5.523 1.00 0.00 C ATOM 314 CD PRO A 23 134.618 -0.199 -4.872 1.00 0.00 C ATOM 0 HA PRO A 23 136.039 -2.663 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 23 137.380 -0.284 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 23 135.785 -0.487 -7.440 1.00 0.00 H new ATOM 0 HG2 PRO A 23 136.526 0.857 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 23 135.445 1.452 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 23 134.458 0.142 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 23 133.689 -0.026 -5.415 1.00 0.00 H new ATOM 322 N LYS A 24 138.428 -2.749 -5.608 1.00 0.00 N ATOM 323 CA LYS A 24 139.768 -3.067 -5.077 1.00 0.00 C ATOM 324 C LYS A 24 140.553 -1.805 -4.666 1.00 0.00 C ATOM 325 O LYS A 24 140.450 -0.762 -5.317 1.00 0.00 O ATOM 326 CB LYS A 24 140.511 -3.880 -6.160 1.00 0.00 C ATOM 327 CG LYS A 24 141.925 -4.325 -5.757 1.00 0.00 C ATOM 328 CD LYS A 24 142.552 -5.192 -6.856 1.00 0.00 C ATOM 329 CE LYS A 24 144.028 -5.457 -6.539 1.00 0.00 C ATOM 330 NZ LYS A 24 144.684 -6.240 -7.619 1.00 0.00 N ATOM 0 H LYS A 24 138.310 -3.052 -6.575 1.00 0.00 H new ATOM 0 HA LYS A 24 139.673 -3.652 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 24 139.920 -4.763 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 24 140.576 -3.280 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 24 142.550 -3.450 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 24 141.883 -4.886 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 24 142.014 -6.136 -6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 24 142.463 -4.691 -7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 24 144.549 -4.509 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 24 144.108 -5.998 -5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 145.662 -6.460 -7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 144.160 -7.125 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 144.689 -5.683 -8.497 1.00 0.00 H new ATOM 344 N GLY A 25 141.364 -1.915 -3.608 1.00 0.00 N ATOM 345 CA GLY A 25 142.223 -0.828 -3.110 1.00 0.00 C ATOM 346 C GLY A 25 143.522 -0.606 -3.914 1.00 0.00 C ATOM 347 O GLY A 25 143.907 -1.457 -4.723 1.00 0.00 O ATOM 0 H GLY A 25 141.445 -2.774 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 25 141.649 0.099 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 142.486 -1.038 -2.073 1.00 0.00 H new ATOM 351 N PRO A 26 144.222 0.528 -3.704 1.00 0.00 N ATOM 352 CA PRO A 26 145.458 0.868 -4.420 1.00 0.00 C ATOM 353 C PRO A 26 146.679 0.068 -3.930 1.00 0.00 C ATOM 354 O PRO A 26 146.711 -0.430 -2.801 1.00 0.00 O ATOM 355 CB PRO A 26 145.648 2.371 -4.181 1.00 0.00 C ATOM 356 CG PRO A 26 145.024 2.581 -2.805 1.00 0.00 C ATOM 357 CD PRO A 26 143.837 1.617 -2.816 1.00 0.00 C ATOM 0 HA PRO A 26 145.375 0.616 -5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 26 146.701 2.652 -4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 26 145.150 2.967 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 26 145.726 2.349 -2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 26 144.705 3.613 -2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 26 143.623 1.247 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 26 142.934 2.112 -3.172 1.00 0.00 H new ATOM 365 N LYS A 27 147.719 -0.025 -4.769 1.00 0.00 N ATOM 366 CA LYS A 27 148.997 -0.681 -4.435 1.00 0.00 C ATOM 367 C LYS A 27 149.659 -0.049 -3.193 1.00 0.00 C ATOM 368 O LYS A 27 149.615 1.171 -3.009 1.00 0.00 O ATOM 369 CB LYS A 27 149.919 -0.627 -5.667 1.00 0.00 C ATOM 370 CG LYS A 27 151.164 -1.512 -5.492 1.00 0.00 C ATOM 371 CD LYS A 27 152.170 -1.415 -6.648 1.00 0.00 C ATOM 372 CE LYS A 27 152.881 -0.054 -6.640 1.00 0.00 C ATOM 373 NZ LYS A 27 153.879 0.055 -7.737 1.00 0.00 N ATOM 0 H LYS A 27 147.699 0.358 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 27 148.808 -1.723 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 149.365 -0.950 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 27 150.228 0.403 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 27 151.665 -1.236 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 27 150.847 -2.550 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 152.906 -2.215 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 27 151.654 -1.555 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 27 152.143 0.742 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 27 153.378 0.091 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 154.337 0.988 -7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 154.598 -0.689 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 153.401 -0.058 -8.654 1.00 0.00 H new ATOM 387 N GLY A 28 150.286 -0.878 -2.356 1.00 0.00 N ATOM 388 CA GLY A 28 150.987 -0.452 -1.137 1.00 0.00 C ATOM 389 C GLY A 28 152.260 0.386 -1.368 1.00 0.00 C ATOM 390 O GLY A 28 152.788 0.422 -2.485 1.00 0.00 O ATOM 0 H GLY A 28 150.323 -1.886 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 28 150.297 0.128 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 28 151.255 -1.339 -0.563 1.00 0.00 H new ATOM 394 N PRO A 29 152.774 1.061 -0.318 1.00 0.00 N ATOM 395 CA PRO A 29 153.953 1.928 -0.406 1.00 0.00 C ATOM 396 C PRO A 29 155.270 1.143 -0.556 1.00 0.00 C ATOM 397 O PRO A 29 155.394 0.005 -0.096 1.00 0.00 O ATOM 398 CB PRO A 29 153.931 2.763 0.882 1.00 0.00 C ATOM 399 CG PRO A 29 153.215 1.862 1.885 1.00 0.00 C ATOM 400 CD PRO A 29 152.202 1.111 1.022 1.00 0.00 C ATOM 0 HA PRO A 29 153.912 2.550 -1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 29 154.939 3.012 1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 29 153.401 3.705 0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 29 153.907 1.180 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 29 152.725 2.441 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 29 152.028 0.107 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 29 151.239 1.622 1.016 1.00 0.00 H new ATOM 508 N GLY B 39 90.148 2.895 -1.313 1.00 0.00 N ATOM 509 CA GLY B 39 91.105 3.024 -0.200 1.00 0.00 C ATOM 510 C GLY B 39 92.500 3.532 -0.607 1.00 0.00 C ATOM 511 O GLY B 39 92.852 3.564 -1.789 1.00 0.00 O ATOM 0 HA2 GLY B 39 90.688 3.704 0.543 1.00 0.00 H new ATOM 0 HA3 GLY B 39 91.213 2.053 0.282 1.00 0.00 H new ATOM 515 N ASP B 40 93.302 3.942 0.382 1.00 0.00 N ATOM 516 CA ASP B 40 94.630 4.544 0.187 1.00 0.00 C ATOM 517 C ASP B 40 95.767 3.515 -0.041 1.00 0.00 C ATOM 518 O ASP B 40 95.704 2.396 0.480 1.00 0.00 O ATOM 519 CB ASP B 40 94.956 5.400 1.421 1.00 0.00 C ATOM 520 CG ASP B 40 94.242 6.759 1.371 1.00 0.00 C ATOM 521 OD1 ASP B 40 94.698 7.649 0.614 1.00 0.00 O ATOM 522 OD2 ASP B 40 93.228 6.945 2.086 1.00 0.00 O ATOM 0 H ASP B 40 93.041 3.863 1.365 1.00 0.00 H new ATOM 0 HA ASP B 40 94.581 5.140 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP B 40 94.660 4.866 2.324 1.00 0.00 H new ATOM 0 HB3 ASP B 40 96.033 5.556 1.482 1.00 0.00 H new ATOM 542 N GLY B 42 99.484 1.611 0.414 1.00 0.00 N ATOM 543 CA GLY B 42 100.393 1.273 1.517 1.00 0.00 C ATOM 544 C GLY B 42 101.729 2.036 1.502 1.00 0.00 C ATOM 545 O GLY B 42 102.099 2.676 0.515 1.00 0.00 O ATOM 0 HA2 GLY B 42 99.887 1.472 2.462 1.00 0.00 H new ATOM 0 HA3 GLY B 42 100.600 0.203 1.485 1.00 0.00 H new ATOM 549 N ASP B 43 102.462 1.963 2.617 1.00 0.00 N ATOM 550 CA ASP B 43 103.752 2.632 2.819 1.00 0.00 C ATOM 551 C ASP B 43 104.919 1.935 2.077 1.00 0.00 C ATOM 552 O ASP B 43 104.926 0.703 1.978 1.00 0.00 O ATOM 553 CB ASP B 43 104.038 2.651 4.326 1.00 0.00 C ATOM 554 CG ASP B 43 103.106 3.614 5.075 1.00 0.00 C ATOM 555 OD1 ASP B 43 101.996 3.188 5.479 1.00 0.00 O ATOM 556 OD2 ASP B 43 103.480 4.797 5.259 1.00 0.00 O ATOM 0 H ASP B 43 102.166 1.421 3.429 1.00 0.00 H new ATOM 0 HA ASP B 43 103.684 3.639 2.407 1.00 0.00 H new ATOM 0 HB2 ASP B 43 103.921 1.645 4.730 1.00 0.00 H new ATOM 0 HB3 ASP B 43 105.074 2.944 4.495 1.00 0.00 H new ATOM 576 N GLY B 45 108.516 0.089 1.340 1.00 0.00 N ATOM 577 CA GLY B 45 109.431 -0.800 2.067 1.00 0.00 C ATOM 578 C GLY B 45 110.739 -0.122 2.505 1.00 0.00 C ATOM 579 O GLY B 45 111.113 0.936 1.994 1.00 0.00 O ATOM 0 HA2 GLY B 45 108.921 -1.188 2.949 1.00 0.00 H new ATOM 0 HA3 GLY B 45 109.670 -1.655 1.435 1.00 0.00 H new ATOM 583 N ASP B 46 111.447 -0.732 3.457 1.00 0.00 N ATOM 584 CA ASP B 46 112.737 -0.244 3.950 1.00 0.00 C ATOM 585 C ASP B 46 113.892 -0.493 2.950 1.00 0.00 C ATOM 586 O ASP B 46 113.837 -1.461 2.182 1.00 0.00 O ATOM 587 CB ASP B 46 113.034 -0.928 5.291 1.00 0.00 C ATOM 588 CG ASP B 46 112.270 -0.266 6.448 1.00 0.00 C ATOM 589 OD1 ASP B 46 112.734 0.788 6.949 1.00 0.00 O ATOM 590 OD2 ASP B 46 111.203 -0.788 6.854 1.00 0.00 O ATOM 0 H ASP B 46 111.137 -1.590 3.913 1.00 0.00 H new ATOM 0 HA ASP B 46 112.669 0.837 4.075 1.00 0.00 H new ATOM 0 HB2 ASP B 46 112.761 -1.982 5.230 1.00 0.00 H new ATOM 0 HB3 ASP B 46 114.105 -0.887 5.491 1.00 0.00 H new ATOM 610 N GLY B 48 117.440 -1.773 1.273 1.00 0.00 N ATOM 611 CA GLY B 48 118.266 -2.984 1.337 1.00 0.00 C ATOM 612 C GLY B 48 119.543 -2.856 2.175 1.00 0.00 C ATOM 613 O GLY B 48 119.988 -1.758 2.516 1.00 0.00 O ATOM 0 HA2 GLY B 48 117.663 -3.796 1.744 1.00 0.00 H new ATOM 0 HA3 GLY B 48 118.543 -3.270 0.322 1.00 0.00 H new ATOM 617 N ASP B 49 120.140 -4.002 2.503 1.00 0.00 N ATOM 618 CA ASP B 49 121.378 -4.096 3.272 1.00 0.00 C ATOM 619 C ASP B 49 122.615 -3.654 2.449 1.00 0.00 C ATOM 620 O ASP B 49 122.621 -3.812 1.222 1.00 0.00 O ATOM 621 CB ASP B 49 121.522 -5.546 3.746 1.00 0.00 C ATOM 622 CG ASP B 49 120.454 -5.913 4.791 1.00 0.00 C ATOM 623 OD1 ASP B 49 120.630 -5.559 5.982 1.00 0.00 O ATOM 624 OD2 ASP B 49 119.437 -6.553 4.426 1.00 0.00 O ATOM 0 H ASP B 49 119.766 -4.912 2.234 1.00 0.00 H new ATOM 0 HA ASP B 49 121.328 -3.417 4.123 1.00 0.00 H new ATOM 0 HB2 ASP B 49 121.441 -6.218 2.891 1.00 0.00 H new ATOM 0 HB3 ASP B 49 122.514 -5.692 4.173 1.00 0.00 H new ATOM 644 N GLY B 51 126.209 -3.455 0.462 1.00 0.00 N ATOM 645 CA GLY B 51 127.118 -4.336 -0.278 1.00 0.00 C ATOM 646 C GLY B 51 128.409 -4.654 0.491 1.00 0.00 C ATOM 647 O GLY B 51 128.773 -3.964 1.446 1.00 0.00 O ATOM 0 HA2 GLY B 51 126.602 -5.268 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY B 51 127.374 -3.868 -1.228 1.00 0.00 H new ATOM 651 N ASP B 52 129.107 -5.712 0.082 1.00 0.00 N ATOM 652 CA ASP B 52 130.344 -6.164 0.721 1.00 0.00 C ATOM 653 C ASP B 52 131.555 -5.244 0.433 1.00 0.00 C ATOM 654 O ASP B 52 131.658 -4.696 -0.672 1.00 0.00 O ATOM 655 CB ASP B 52 130.641 -7.595 0.263 1.00 0.00 C ATOM 656 CG ASP B 52 129.802 -8.616 1.043 1.00 0.00 C ATOM 657 OD1 ASP B 52 130.184 -8.963 2.188 1.00 0.00 O ATOM 658 OD2 ASP B 52 128.745 -9.058 0.530 1.00 0.00 O ATOM 0 H ASP B 52 128.827 -6.287 -0.712 1.00 0.00 H new ATOM 0 HA ASP B 52 130.190 -6.128 1.800 1.00 0.00 H new ATOM 0 HB2 ASP B 52 130.433 -7.688 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP B 52 131.701 -7.811 0.401 1.00 0.00 H new ATOM 678 N GLY B 54 135.334 -4.037 -0.686 1.00 0.00 N ATOM 679 CA GLY B 54 136.259 -4.400 -1.762 1.00 0.00 C ATOM 680 C GLY B 54 137.543 -5.095 -1.283 1.00 0.00 C ATOM 681 O GLY B 54 137.875 -5.102 -0.095 1.00 0.00 O ATOM 0 HA2 GLY B 54 135.744 -5.057 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY B 54 136.531 -3.499 -2.311 1.00 0.00 H new ATOM 685 N ASP B 55 138.271 -5.691 -2.228 1.00 0.00 N ATOM 686 CA ASP B 55 139.499 -6.448 -1.975 1.00 0.00 C ATOM 687 C ASP B 55 140.702 -5.542 -1.620 1.00 0.00 C ATOM 688 O ASP B 55 140.851 -4.465 -2.211 1.00 0.00 O ATOM 689 CB ASP B 55 139.816 -7.263 -3.235 1.00 0.00 C ATOM 690 CG ASP B 55 138.823 -8.418 -3.434 1.00 0.00 C ATOM 691 OD1 ASP B 55 137.758 -8.199 -4.063 1.00 0.00 O ATOM 692 OD2 ASP B 55 139.102 -9.544 -2.956 1.00 0.00 O ATOM 0 H ASP B 55 138.017 -5.660 -3.215 1.00 0.00 H new ATOM 0 HA ASP B 55 139.334 -7.093 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP B 55 139.791 -6.609 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP B 55 140.828 -7.662 -3.164 1.00 0.00 H new ATOM 712 N GLY B 57 144.412 -3.929 -1.816 1.00 0.00 N ATOM 713 CA GLY B 57 145.413 -3.688 -2.861 1.00 0.00 C ATOM 714 C GLY B 57 146.627 -4.627 -2.776 1.00 0.00 C ATOM 715 O GLY B 57 146.870 -5.270 -1.751 1.00 0.00 O ATOM 0 HA2 GLY B 57 144.942 -3.803 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY B 57 145.757 -2.656 -2.793 1.00 0.00 H new ATOM 719 N ASP B 58 147.407 -4.708 -3.857 1.00 0.00 N ATOM 720 CA ASP B 58 148.631 -5.513 -3.908 1.00 0.00 C ATOM 721 C ASP B 58 149.795 -4.877 -3.110 1.00 0.00 C ATOM 722 O ASP B 58 149.833 -3.651 -2.956 1.00 0.00 O ATOM 723 CB ASP B 58 149.026 -5.710 -5.377 1.00 0.00 C ATOM 724 CG ASP B 58 148.200 -6.823 -6.037 1.00 0.00 C ATOM 725 OD1 ASP B 58 148.404 -8.013 -5.693 1.00 0.00 O ATOM 726 OD2 ASP B 58 147.344 -6.514 -6.901 1.00 0.00 O ATOM 0 H ASP B 58 147.206 -4.214 -4.727 1.00 0.00 H new ATOM 0 HA ASP B 58 148.429 -6.475 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP B 58 148.882 -4.777 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP B 58 150.086 -5.956 -5.440 1.00 0.00 H new ATOM 898 N GLY C 74 102.165 -0.933 -0.948 1.00 0.00 N ATOM 899 CA GLY C 74 103.294 0.000 -0.993 1.00 0.00 C ATOM 900 C GLY C 74 104.421 -0.452 -1.944 1.00 0.00 C ATOM 901 O GLY C 74 104.594 -1.660 -2.150 1.00 0.00 O ATOM 0 HA2 GLY C 74 102.934 0.980 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY C 74 103.701 0.116 0.012 1.00 0.00 H new ATOM 905 N PRO C 75 105.205 0.479 -2.526 1.00 0.00 N ATOM 906 CA PRO C 75 106.353 0.133 -3.364 1.00 0.00 C ATOM 907 C PRO C 75 107.491 -0.602 -2.618 1.00 0.00 C ATOM 908 O PRO C 75 107.687 -0.372 -1.419 1.00 0.00 O ATOM 909 CB PRO C 75 106.844 1.437 -4.004 1.00 0.00 C ATOM 910 CG PRO C 75 105.985 2.562 -3.425 1.00 0.00 C ATOM 911 CD PRO C 75 105.060 1.921 -2.392 1.00 0.00 C ATOM 0 HA PRO C 75 106.033 -0.588 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO C 75 107.899 1.603 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO C 75 106.748 1.396 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO C 75 106.609 3.327 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO C 75 105.408 3.052 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO C 75 105.325 2.243 -1.385 1.00 0.00 H new ATOM 0 HD3 PRO C 75 104.026 2.222 -2.561 1.00 0.00 H new ATOM 934 N GLY C 77 111.292 -1.136 -1.258 1.00 0.00 N ATOM 935 CA GLY C 77 112.353 -0.231 -0.799 1.00 0.00 C ATOM 936 C GLY C 77 113.491 -0.062 -1.826 1.00 0.00 C ATOM 937 O GLY C 77 113.673 -0.934 -2.686 1.00 0.00 O ATOM 0 HA2 GLY C 77 111.920 0.745 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY C 77 112.768 -0.611 0.135 1.00 0.00 H new ATOM 941 N PRO C 78 114.276 1.032 -1.761 1.00 0.00 N ATOM 942 CA PRO C 78 115.440 1.219 -2.627 1.00 0.00 C ATOM 943 C PRO C 78 116.562 0.176 -2.413 1.00 0.00 C ATOM 944 O PRO C 78 116.691 -0.371 -1.309 1.00 0.00 O ATOM 945 CB PRO C 78 115.925 2.659 -2.410 1.00 0.00 C ATOM 946 CG PRO C 78 115.038 3.253 -1.314 1.00 0.00 C ATOM 947 CD PRO C 78 114.176 2.108 -0.786 1.00 0.00 C ATOM 0 HA PRO C 78 115.148 1.057 -3.665 1.00 0.00 H new ATOM 0 HB2 PRO C 78 116.973 2.675 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO C 78 115.846 3.238 -3.330 1.00 0.00 H new ATOM 0 HG2 PRO C 78 115.643 3.683 -0.516 1.00 0.00 H new ATOM 0 HG3 PRO C 78 114.416 4.056 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO C 78 114.526 1.779 0.192 1.00 0.00 H new ATOM 0 HD3 PRO C 78 113.141 2.426 -0.664 1.00 0.00 H new ATOM 970 N GLY C 80 120.221 -1.302 -1.460 1.00 0.00 N ATOM 971 CA GLY C 80 121.154 -0.981 -0.378 1.00 0.00 C ATOM 972 C GLY C 80 122.370 -0.149 -0.828 1.00 0.00 C ATOM 973 O GLY C 80 122.691 -0.120 -2.023 1.00 0.00 O ATOM 0 HA2 GLY C 80 120.620 -0.434 0.399 1.00 0.00 H new ATOM 0 HA3 GLY C 80 121.507 -1.909 0.071 1.00 0.00 H new ATOM 977 N PRO C 81 123.082 0.508 0.110 1.00 0.00 N ATOM 978 CA PRO C 81 124.294 1.260 -0.207 1.00 0.00 C ATOM 979 C PRO C 81 125.452 0.423 -0.793 1.00 0.00 C ATOM 980 O PRO C 81 125.638 -0.729 -0.382 1.00 0.00 O ATOM 981 CB PRO C 81 124.681 2.035 1.058 1.00 0.00 C ATOM 982 CG PRO C 81 123.647 1.663 2.122 1.00 0.00 C ATOM 983 CD PRO C 81 122.800 0.536 1.539 1.00 0.00 C ATOM 0 HA PRO C 81 124.080 1.943 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO C 81 125.687 1.770 1.384 1.00 0.00 H new ATOM 0 HB3 PRO C 81 124.679 3.109 0.872 1.00 0.00 H new ATOM 0 HG2 PRO C 81 124.137 1.342 3.042 1.00 0.00 H new ATOM 0 HG3 PRO C 81 123.026 2.522 2.375 1.00 0.00 H new ATOM 0 HD2 PRO C 81 123.050 -0.418 2.003 1.00 0.00 H new ATOM 0 HD3 PRO C 81 121.740 0.712 1.723 1.00 0.00 H new ATOM 1006 N GLY C 83 129.145 -1.159 -1.205 1.00 0.00 N ATOM 1007 CA GLY C 83 130.207 -1.560 -0.283 1.00 0.00 C ATOM 1008 C GLY C 83 131.389 -0.572 -0.288 1.00 0.00 C ATOM 1009 O GLY C 83 131.687 0.009 -1.340 1.00 0.00 O ATOM 0 HA2 GLY C 83 129.801 -1.632 0.726 1.00 0.00 H new ATOM 0 HA3 GLY C 83 130.565 -2.553 -0.555 1.00 0.00 H new ATOM 1013 N PRO C 84 132.100 -0.388 0.843 1.00 0.00 N ATOM 1014 CA PRO C 84 133.305 0.438 0.879 1.00 0.00 C ATOM 1015 C PRO C 84 134.458 -0.088 -0.007 1.00 0.00 C ATOM 1016 O PRO C 84 134.639 -1.305 -0.106 1.00 0.00 O ATOM 1017 CB PRO C 84 133.698 0.575 2.358 1.00 0.00 C ATOM 1018 CG PRO C 84 132.710 -0.282 3.153 1.00 0.00 C ATOM 1019 CD PRO C 84 131.843 -1.012 2.130 1.00 0.00 C ATOM 0 HA PRO C 84 133.093 1.414 0.442 1.00 0.00 H new ATOM 0 HB2 PRO C 84 134.722 0.237 2.520 1.00 0.00 H new ATOM 0 HB3 PRO C 84 133.652 1.616 2.677 1.00 0.00 H new ATOM 0 HG2 PRO C 84 133.238 -0.992 3.790 1.00 0.00 H new ATOM 0 HG3 PRO C 84 132.098 0.339 3.807 1.00 0.00 H new ATOM 0 HD2 PRO C 84 132.089 -2.073 2.101 1.00 0.00 H new ATOM 0 HD3 PRO C 84 130.788 -0.936 2.393 1.00 0.00 H new ATOM 1042 N GLY C 86 138.203 -1.331 -0.963 1.00 0.00 N ATOM 1043 CA GLY C 86 139.221 -2.088 -0.231 1.00 0.00 C ATOM 1044 C GLY C 86 140.401 -1.218 0.242 1.00 0.00 C ATOM 1045 O GLY C 86 140.638 -0.140 -0.318 1.00 0.00 O ATOM 0 HA2 GLY C 86 138.759 -2.563 0.634 1.00 0.00 H new ATOM 0 HA3 GLY C 86 139.600 -2.886 -0.869 1.00 0.00 H new ATOM 1049 N PRO C 87 141.157 -1.664 1.262 1.00 0.00 N ATOM 1050 CA PRO C 87 142.274 -0.900 1.817 1.00 0.00 C ATOM 1051 C PRO C 87 143.486 -0.858 0.863 1.00 0.00 C ATOM 1052 O PRO C 87 143.653 -1.768 0.039 1.00 0.00 O ATOM 1053 CB PRO C 87 142.628 -1.608 3.131 1.00 0.00 C ATOM 1054 CG PRO C 87 142.217 -3.056 2.873 1.00 0.00 C ATOM 1055 CD PRO C 87 140.974 -2.907 1.999 1.00 0.00 C ATOM 0 HA PRO C 87 141.999 0.143 1.971 1.00 0.00 H new ATOM 0 HB2 PRO C 87 143.691 -1.526 3.358 1.00 0.00 H new ATOM 0 HB3 PRO C 87 142.088 -1.181 3.976 1.00 0.00 H new ATOM 0 HG2 PRO C 87 143.003 -3.615 2.365 1.00 0.00 H new ATOM 0 HG3 PRO C 87 141.998 -3.585 3.800 1.00 0.00 H new ATOM 0 HD2 PRO C 87 140.869 -3.753 1.320 1.00 0.00 H new ATOM 0 HD3 PRO C 87 140.070 -2.872 2.607 1.00 0.00 H new ATOM 1078 N GLY C 89 147.257 -1.692 -0.234 1.00 0.00 N ATOM 1079 CA GLY C 89 148.112 -2.858 0.002 1.00 0.00 C ATOM 1080 C GLY C 89 149.182 -2.618 1.084 1.00 0.00 C ATOM 1081 O GLY C 89 149.465 -1.465 1.434 1.00 0.00 O ATOM 0 HA2 GLY C 89 147.490 -3.703 0.297 1.00 0.00 H new ATOM 0 HA3 GLY C 89 148.604 -3.135 -0.931 1.00 0.00 H new ATOM 1085 N PRO C 90 149.798 -3.685 1.622 1.00 0.00 N ATOM 1086 CA PRO C 90 150.813 -3.562 2.666 1.00 0.00 C ATOM 1087 C PRO C 90 152.124 -2.943 2.132 1.00 0.00 C ATOM 1088 O PRO C 90 152.403 -3.035 0.927 1.00 0.00 O ATOM 1089 CB PRO C 90 151.020 -4.986 3.194 1.00 0.00 C ATOM 1090 CG PRO C 90 150.670 -5.862 1.994 1.00 0.00 C ATOM 1091 CD PRO C 90 149.551 -5.084 1.304 1.00 0.00 C ATOM 0 HA PRO C 90 150.493 -2.884 3.458 1.00 0.00 H new ATOM 0 HB2 PRO C 90 152.046 -5.147 3.524 1.00 0.00 H new ATOM 0 HB3 PRO C 90 150.375 -5.196 4.047 1.00 0.00 H new ATOM 0 HG2 PRO C 90 151.527 -6.003 1.335 1.00 0.00 H new ATOM 0 HG3 PRO C 90 150.339 -6.854 2.303 1.00 0.00 H new ATOM 0 HD2 PRO C 90 149.564 -5.250 0.227 1.00 0.00 H new ATOM 0 HD3 PRO C 90 148.572 -5.402 1.664 1.00 0.00 H new