USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 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 Set 1.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.13) USER MOD Single : A 11 TYR OH : rot 91:sc= 0.00272 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 102:sc= 0.168 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 40:sc= 0.303 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 38 LYS NZ :NH3+ -106:sc= 0.0287 (180deg=-0.603) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -104:sc= 1.1 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -2.12 (180deg=-4.86!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 8 8.044 0.618 -7.714 1.00 0.00 N ATOM 67 CA GLY A 8 7.002 0.572 -6.702 1.00 0.00 C ATOM 68 C GLY A 8 7.392 -0.362 -5.555 1.00 0.00 C ATOM 69 O GLY A 8 8.174 -1.292 -5.746 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.822 1.575 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.069 0.232 -7.151 1.00 0.00 H new ATOM 73 N GLU A 9 6.830 -0.081 -4.389 1.00 0.00 N ATOM 74 CA GLU A 9 7.110 -0.885 -3.210 1.00 0.00 C ATOM 75 C GLU A 9 5.854 -1.642 -2.775 1.00 0.00 C ATOM 76 O GLU A 9 4.800 -1.041 -2.572 1.00 0.00 O ATOM 77 CB GLU A 9 7.650 -0.018 -2.071 1.00 0.00 C ATOM 78 CG GLU A 9 9.144 0.257 -2.253 1.00 0.00 C ATOM 79 CD GLU A 9 9.890 0.138 -0.922 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.934 1.160 -0.203 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.398 -0.972 -0.654 1.00 0.00 O ATOM 0 H GLU A 9 6.182 0.692 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 9 7.880 -1.613 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.104 0.925 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.482 -0.518 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.562 -0.447 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.286 1.256 -2.665 1.00 0.00 H new ATOM 88 N GLU A 10 6.007 -2.952 -2.643 1.00 0.00 N ATOM 89 CA GLU A 10 4.899 -3.798 -2.235 1.00 0.00 C ATOM 90 C GLU A 10 4.702 -3.721 -0.720 1.00 0.00 C ATOM 91 O GLU A 10 5.610 -4.044 0.045 1.00 0.00 O ATOM 92 CB GLU A 10 5.117 -5.243 -2.687 1.00 0.00 C ATOM 93 CG GLU A 10 5.056 -5.357 -4.212 1.00 0.00 C ATOM 94 CD GLU A 10 6.461 -5.378 -4.817 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.010 -4.273 -5.015 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.954 -6.499 -5.068 1.00 0.00 O ATOM 0 H GLU A 10 6.882 -3.448 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 10 3.992 -3.434 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.085 -5.597 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.358 -5.886 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.522 -6.266 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.493 -4.518 -4.621 1.00 0.00 H new ATOM 103 N TYR A 11 3.511 -3.291 -0.331 1.00 0.00 N ATOM 104 CA TYR A 11 3.183 -3.168 1.079 1.00 0.00 C ATOM 105 C TYR A 11 1.848 -3.845 1.394 1.00 0.00 C ATOM 106 O TYR A 11 0.954 -3.885 0.549 1.00 0.00 O ATOM 107 CB TYR A 11 3.058 -1.668 1.353 1.00 0.00 C ATOM 108 CG TYR A 11 4.357 -1.009 1.821 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.268 -0.544 0.893 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.620 -0.881 3.169 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.491 0.075 1.333 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.843 -0.261 3.609 1.00 0.00 C ATOM 113 CZ TYR A 11 6.718 0.186 2.669 1.00 0.00 C ATOM 114 OH TYR A 11 7.873 0.771 3.085 1.00 0.00 O ATOM 0 H TYR A 11 2.761 -3.023 -0.968 1.00 0.00 H new ATOM 0 HA TYR A 11 3.948 -3.644 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.717 -1.171 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.290 -1.510 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.063 -0.645 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.908 -1.246 3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.212 0.443 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.060 -0.154 4.661 1.00 0.00 H new ATOM 0 HH TYR A 11 7.730 1.734 3.196 1.00 0.00 H new ATOM 124 N ILE A 12 1.754 -4.360 2.611 1.00 0.00 N ATOM 125 CA ILE A 12 0.543 -5.034 3.047 1.00 0.00 C ATOM 126 C ILE A 12 -0.221 -4.125 4.012 1.00 0.00 C ATOM 127 O ILE A 12 0.377 -3.499 4.886 1.00 0.00 O ATOM 128 CB ILE A 12 0.875 -6.409 3.630 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.727 -7.226 2.656 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.398 -7.152 4.040 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.848 -8.082 1.742 1.00 0.00 C ATOM 0 H ILE A 12 2.497 -4.324 3.309 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.114 -5.224 2.198 1.00 0.00 H new ATOM 0 HB ILE A 12 1.468 -6.264 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.340 -6.556 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.410 -7.867 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.134 -8.126 4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.931 -6.572 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.037 -7.287 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.479 -8.652 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.254 -8.768 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.184 -7.437 1.168 1.00 0.00 H new ATOM 143 N ALA A 13 -1.532 -4.081 3.821 1.00 0.00 N ATOM 144 CA ALA A 13 -2.384 -3.260 4.664 1.00 0.00 C ATOM 145 C ALA A 13 -2.510 -3.910 6.043 1.00 0.00 C ATOM 146 O ALA A 13 -2.918 -5.065 6.153 1.00 0.00 O ATOM 147 CB ALA A 13 -3.741 -3.067 3.984 1.00 0.00 C ATOM 0 H ALA A 13 -2.024 -4.601 3.095 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.946 -2.272 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.380 -2.451 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.599 -2.574 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.211 -4.038 3.829 1.00 0.00 H new ATOM 153 N LEU A 14 -2.151 -3.141 7.060 1.00 0.00 N ATOM 154 CA LEU A 14 -2.219 -3.628 8.427 1.00 0.00 C ATOM 155 C LEU A 14 -3.680 -3.659 8.881 1.00 0.00 C ATOM 156 O LEU A 14 -4.143 -4.659 9.426 1.00 0.00 O ATOM 157 CB LEU A 14 -1.310 -2.799 9.337 1.00 0.00 C ATOM 158 CG LEU A 14 0.192 -3.063 9.204 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.004 -1.847 9.654 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.594 -4.331 9.959 1.00 0.00 C ATOM 0 H LEU A 14 -1.812 -2.184 6.965 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.845 -4.650 8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.493 -1.743 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.601 -2.981 10.372 1.00 0.00 H new ATOM 0 HG LEU A 14 0.418 -3.230 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.068 -2.061 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.744 -0.987 9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.779 -1.625 10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.666 -4.496 9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.351 -4.218 11.016 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.052 -5.184 9.552 1.00 0.00 H new ATOM 172 N TYR A 15 -4.365 -2.551 8.639 1.00 0.00 N ATOM 173 CA TYR A 15 -5.764 -2.438 9.016 1.00 0.00 C ATOM 174 C TYR A 15 -6.611 -1.952 7.839 1.00 0.00 C ATOM 175 O TYR A 15 -6.092 -1.346 6.903 1.00 0.00 O ATOM 176 CB TYR A 15 -5.817 -1.394 10.133 1.00 0.00 C ATOM 177 CG TYR A 15 -4.661 -1.492 11.132 1.00 0.00 C ATOM 178 CD1 TYR A 15 -3.475 -0.832 10.882 1.00 0.00 C ATOM 179 CD2 TYR A 15 -4.806 -2.240 12.283 1.00 0.00 C ATOM 180 CE1 TYR A 15 -2.388 -0.924 11.821 1.00 0.00 C ATOM 181 CE2 TYR A 15 -3.719 -2.332 13.222 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.564 -1.670 12.945 1.00 0.00 C ATOM 183 OH TYR A 15 -1.537 -1.757 13.833 1.00 0.00 O ATOM 0 H TYR A 15 -3.977 -1.723 8.186 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.156 -3.405 9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.815 -0.399 9.687 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.759 -1.500 10.671 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.362 -0.246 9.982 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.734 -2.756 12.479 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.455 -0.413 11.638 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.819 -2.914 14.126 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.805 -2.321 14.588 1.00 0.00 H new ATOM 193 N PRO A 16 -7.937 -2.244 7.926 1.00 0.00 N ATOM 194 CA PRO A 16 -8.862 -1.843 6.880 1.00 0.00 C ATOM 195 C PRO A 16 -9.152 -0.342 6.950 1.00 0.00 C ATOM 196 O PRO A 16 -9.798 0.126 7.886 1.00 0.00 O ATOM 197 CB PRO A 16 -10.099 -2.698 7.100 1.00 0.00 C ATOM 198 CG PRO A 16 -10.005 -3.208 8.529 1.00 0.00 C ATOM 199 CD PRO A 16 -8.588 -2.960 9.020 1.00 0.00 C ATOM 0 HA PRO A 16 -8.459 -1.999 5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.008 -2.115 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.133 -3.526 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.725 -2.694 9.166 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.243 -4.271 8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.584 -2.371 9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.076 -3.896 9.241 1.00 0.00 H new ATOM 207 N TYR A 17 -8.660 0.370 5.947 1.00 0.00 N ATOM 208 CA TYR A 17 -8.859 1.808 5.883 1.00 0.00 C ATOM 209 C TYR A 17 -9.830 2.178 4.760 1.00 0.00 C ATOM 210 O TYR A 17 -9.544 1.948 3.586 1.00 0.00 O ATOM 211 CB TYR A 17 -7.487 2.410 5.572 1.00 0.00 C ATOM 212 CG TYR A 17 -7.485 3.936 5.469 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.263 4.704 6.594 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.707 4.545 4.250 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.262 6.141 6.496 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.705 5.982 4.152 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.483 6.709 5.280 1.00 0.00 C ATOM 218 OH TYR A 17 -7.482 8.066 5.188 1.00 0.00 O ATOM 0 H TYR A 17 -8.124 -0.022 5.172 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.277 2.179 6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.785 2.108 6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.123 1.992 4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.090 4.228 7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.882 3.944 3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.090 6.754 7.368 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.876 6.471 3.204 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.629 8.368 4.812 1.00 0.00 H new ATOM 228 N SER A 18 -10.959 2.746 5.160 1.00 0.00 N ATOM 229 CA SER A 18 -11.974 3.150 4.202 1.00 0.00 C ATOM 230 C SER A 18 -12.258 4.647 4.341 1.00 0.00 C ATOM 231 O SER A 18 -12.149 5.204 5.432 1.00 0.00 O ATOM 232 CB SER A 18 -13.261 2.345 4.392 1.00 0.00 C ATOM 233 OG SER A 18 -12.997 0.979 4.699 1.00 0.00 O ATOM 0 H SER A 18 -11.193 2.936 6.135 1.00 0.00 H new ATOM 0 HA SER A 18 -11.597 2.950 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.851 2.789 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.862 2.403 3.484 1.00 0.00 H new ATOM 0 HG SER A 18 -13.844 0.500 4.814 1.00 0.00 H new ATOM 295 N GLY A 23 -9.730 10.947 -3.384 1.00 0.00 N ATOM 296 CA GLY A 23 -8.293 11.154 -3.352 1.00 0.00 C ATOM 297 C GLY A 23 -7.603 10.084 -2.504 1.00 0.00 C ATOM 298 O GLY A 23 -6.523 9.611 -2.853 1.00 0.00 O ATOM 0 HA2 GLY A 23 -7.896 11.130 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.073 12.142 -2.947 1.00 0.00 H new ATOM 302 N ASP A 24 -8.256 9.733 -1.406 1.00 0.00 N ATOM 303 CA ASP A 24 -7.720 8.727 -0.505 1.00 0.00 C ATOM 304 C ASP A 24 -8.024 7.335 -1.063 1.00 0.00 C ATOM 305 O ASP A 24 -9.154 7.054 -1.458 1.00 0.00 O ATOM 306 CB ASP A 24 -8.360 8.831 0.881 1.00 0.00 C ATOM 307 CG ASP A 24 -8.035 10.114 1.649 1.00 0.00 C ATOM 308 OD1 ASP A 24 -8.322 11.196 1.093 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.507 9.984 2.774 1.00 0.00 O ATOM 0 H ASP A 24 -9.152 10.128 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.646 8.890 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.442 8.755 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.039 7.977 1.478 1.00 0.00 H new ATOM 314 N LEU A 25 -6.994 6.501 -1.077 1.00 0.00 N ATOM 315 CA LEU A 25 -7.137 5.145 -1.580 1.00 0.00 C ATOM 316 C LEU A 25 -7.832 4.285 -0.524 1.00 0.00 C ATOM 317 O LEU A 25 -7.317 4.113 0.580 1.00 0.00 O ATOM 318 CB LEU A 25 -5.781 4.594 -2.027 1.00 0.00 C ATOM 319 CG LEU A 25 -5.820 3.303 -2.847 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.316 3.570 -4.269 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.457 2.606 -2.836 1.00 0.00 C ATOM 0 H LEU A 25 -6.058 6.738 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.769 5.132 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.276 5.360 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.172 4.420 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.534 2.624 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.334 2.635 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.321 3.989 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.647 4.276 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.511 1.691 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.706 3.270 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.182 2.360 -1.810 1.00 0.00 H new ATOM 333 N THR A 26 -8.993 3.766 -0.899 1.00 0.00 N ATOM 334 CA THR A 26 -9.764 2.927 0.003 1.00 0.00 C ATOM 335 C THR A 26 -9.369 1.459 -0.166 1.00 0.00 C ATOM 336 O THR A 26 -9.429 0.919 -1.269 1.00 0.00 O ATOM 337 CB THR A 26 -11.248 3.191 -0.260 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.392 3.000 -1.665 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.630 4.657 -0.042 1.00 0.00 C ATOM 0 H THR A 26 -9.418 3.911 -1.815 1.00 0.00 H new ATOM 0 HA THR A 26 -9.555 3.169 1.045 1.00 0.00 H new ATOM 0 HB THR A 26 -11.850 2.558 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.851 2.233 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.693 4.790 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.417 4.939 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.052 5.288 -0.718 1.00 0.00 H new ATOM 347 N PHE A 27 -8.974 0.855 0.945 1.00 0.00 N ATOM 348 CA PHE A 27 -8.569 -0.541 0.934 1.00 0.00 C ATOM 349 C PHE A 27 -8.917 -1.223 2.259 1.00 0.00 C ATOM 350 O PHE A 27 -9.392 -0.574 3.189 1.00 0.00 O ATOM 351 CB PHE A 27 -7.051 -0.565 0.746 1.00 0.00 C ATOM 352 CG PHE A 27 -6.295 0.406 1.656 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.882 0.002 2.887 1.00 0.00 C ATOM 354 CD2 PHE A 27 -6.037 1.673 1.234 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.181 0.902 3.732 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.336 2.573 2.079 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.923 2.169 3.310 1.00 0.00 C ATOM 0 H PHE A 27 -8.926 1.306 1.859 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.087 -1.072 0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.688 -1.576 0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.820 -0.328 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.087 -1.004 3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.365 1.994 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.853 0.581 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.131 3.579 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.390 2.854 3.953 1.00 0.00 H new ATOM 367 N THR A 28 -8.667 -2.524 2.301 1.00 0.00 N ATOM 368 CA THR A 28 -8.949 -3.301 3.496 1.00 0.00 C ATOM 369 C THR A 28 -7.672 -3.969 4.011 1.00 0.00 C ATOM 370 O THR A 28 -6.640 -3.943 3.341 1.00 0.00 O ATOM 371 CB THR A 28 -10.063 -4.295 3.162 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.763 -4.720 1.836 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.431 -3.621 3.037 1.00 0.00 C ATOM 0 H THR A 28 -8.273 -3.059 1.527 1.00 0.00 H new ATOM 0 HA THR A 28 -9.296 -2.664 4.310 1.00 0.00 H new ATOM 0 HB THR A 28 -10.106 -5.064 3.933 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.436 -5.369 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.186 -4.371 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.685 -3.136 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.398 -2.875 2.243 1.00 0.00 H new ATOM 381 N GLU A 29 -7.784 -4.553 5.195 1.00 0.00 N ATOM 382 CA GLU A 29 -6.651 -5.227 5.807 1.00 0.00 C ATOM 383 C GLU A 29 -6.310 -6.501 5.031 1.00 0.00 C ATOM 384 O GLU A 29 -7.170 -7.355 4.824 1.00 0.00 O ATOM 385 CB GLU A 29 -6.929 -5.538 7.279 1.00 0.00 C ATOM 386 CG GLU A 29 -5.982 -6.623 7.797 1.00 0.00 C ATOM 387 CD GLU A 29 -6.712 -7.957 7.958 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.433 -8.091 8.971 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.534 -8.813 7.065 1.00 0.00 O ATOM 0 H GLU A 29 -8.642 -4.574 5.747 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.790 -4.560 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.811 -4.633 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.962 -5.865 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.147 -6.742 7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.562 -6.317 8.755 1.00 0.00 H new ATOM 396 N GLY A 30 -5.052 -6.588 4.623 1.00 0.00 N ATOM 397 CA GLY A 30 -4.586 -7.743 3.875 1.00 0.00 C ATOM 398 C GLY A 30 -4.344 -7.384 2.408 1.00 0.00 C ATOM 399 O GLY A 30 -3.603 -8.075 1.710 1.00 0.00 O ATOM 0 H GLY A 30 -4.341 -5.877 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.664 -8.120 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.322 -8.544 3.940 1.00 0.00 H new ATOM 403 N GLU A 31 -4.983 -6.305 1.982 1.00 0.00 N ATOM 404 CA GLU A 31 -4.847 -5.846 0.610 1.00 0.00 C ATOM 405 C GLU A 31 -3.384 -5.516 0.304 1.00 0.00 C ATOM 406 O GLU A 31 -2.600 -5.253 1.214 1.00 0.00 O ATOM 407 CB GLU A 31 -5.749 -4.639 0.343 1.00 0.00 C ATOM 408 CG GLU A 31 -7.116 -5.082 -0.182 1.00 0.00 C ATOM 409 CD GLU A 31 -7.137 -5.098 -1.712 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.325 -5.859 -2.282 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.964 -4.350 -2.276 1.00 0.00 O ATOM 0 H GLU A 31 -5.597 -5.735 2.563 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.165 -6.649 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.876 -4.066 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.274 -3.978 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.351 -6.076 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.888 -4.408 0.189 1.00 0.00 H new ATOM 418 N GLU A 32 -3.062 -5.541 -0.981 1.00 0.00 N ATOM 419 CA GLU A 32 -1.708 -5.248 -1.419 1.00 0.00 C ATOM 420 C GLU A 32 -1.653 -3.874 -2.089 1.00 0.00 C ATOM 421 O GLU A 32 -2.110 -3.711 -3.219 1.00 0.00 O ATOM 422 CB GLU A 32 -1.187 -6.338 -2.358 1.00 0.00 C ATOM 423 CG GLU A 32 -0.125 -7.195 -1.668 1.00 0.00 C ATOM 424 CD GLU A 32 0.289 -8.373 -2.553 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.318 -8.173 -3.787 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.567 -9.446 -1.976 1.00 0.00 O ATOM 0 H GLU A 32 -3.716 -5.760 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.059 -5.230 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.014 -6.969 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.765 -5.881 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.748 -6.584 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.512 -7.567 -0.719 1.00 0.00 H new ATOM 433 N ILE A 33 -1.088 -2.919 -1.363 1.00 0.00 N ATOM 434 CA ILE A 33 -0.967 -1.564 -1.874 1.00 0.00 C ATOM 435 C ILE A 33 0.439 -1.362 -2.442 1.00 0.00 C ATOM 436 O ILE A 33 1.431 -1.598 -1.754 1.00 0.00 O ATOM 437 CB ILE A 33 -1.345 -0.549 -0.793 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.785 -0.762 -0.321 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.107 0.882 -1.278 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.870 -0.739 1.206 1.00 0.00 C ATOM 0 H ILE A 33 -0.709 -3.057 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.668 -1.401 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.696 -0.709 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.426 0.015 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.157 -1.716 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.384 1.584 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.054 1.012 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.714 1.072 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.904 -0.893 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.247 -1.533 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.520 0.225 1.575 1.00 0.00 H new ATOM 452 N LEU A 34 0.480 -0.926 -3.693 1.00 0.00 N ATOM 453 CA LEU A 34 1.748 -0.689 -4.362 1.00 0.00 C ATOM 454 C LEU A 34 2.088 0.800 -4.287 1.00 0.00 C ATOM 455 O LEU A 34 1.475 1.616 -4.974 1.00 0.00 O ATOM 456 CB LEU A 34 1.712 -1.241 -5.788 1.00 0.00 C ATOM 457 CG LEU A 34 3.044 -1.237 -6.542 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.068 -2.139 -5.850 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.844 -1.619 -8.010 1.00 0.00 C ATOM 0 H LEU A 34 -0.345 -0.731 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 34 2.552 -1.225 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.341 -2.265 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.990 -0.661 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 34 3.444 -0.223 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.005 -2.118 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.240 -1.782 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.689 -3.160 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.806 -1.609 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.411 -2.618 -8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.172 -0.903 -8.484 1.00 0.00 H new ATOM 471 N VAL A 35 3.065 1.110 -3.447 1.00 0.00 N ATOM 472 CA VAL A 35 3.495 2.487 -3.273 1.00 0.00 C ATOM 473 C VAL A 35 4.569 2.817 -4.312 1.00 0.00 C ATOM 474 O VAL A 35 5.600 2.148 -4.377 1.00 0.00 O ATOM 475 CB VAL A 35 3.965 2.712 -1.835 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.205 4.198 -1.562 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.967 2.125 -0.834 1.00 0.00 C ATOM 0 H VAL A 35 3.571 0.430 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 35 2.662 3.170 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 35 4.914 2.191 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.538 4.330 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.970 4.574 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.278 4.751 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.325 2.298 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.997 2.605 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.868 1.053 -1.005 1.00 0.00 H new ATOM 487 N THR A 36 4.291 3.846 -5.098 1.00 0.00 N ATOM 488 CA THR A 36 5.221 4.272 -6.130 1.00 0.00 C ATOM 489 C THR A 36 5.765 5.667 -5.815 1.00 0.00 C ATOM 490 O THR A 36 6.814 6.058 -6.325 1.00 0.00 O ATOM 491 CB THR A 36 4.501 4.192 -7.477 1.00 0.00 C ATOM 492 OG1 THR A 36 3.497 5.200 -7.396 1.00 0.00 O ATOM 493 CG2 THR A 36 3.710 2.892 -7.642 1.00 0.00 C ATOM 0 H THR A 36 3.435 4.398 -5.041 1.00 0.00 H new ATOM 0 HA THR A 36 6.093 3.619 -6.171 1.00 0.00 H new ATOM 0 HB THR A 36 5.230 4.279 -8.283 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.983 5.218 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.218 2.886 -8.615 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.389 2.042 -7.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.959 2.821 -6.855 1.00 0.00 H new ATOM 501 N GLN A 37 5.028 6.379 -4.975 1.00 0.00 N ATOM 502 CA GLN A 37 5.424 7.722 -4.585 1.00 0.00 C ATOM 503 C GLN A 37 5.219 7.920 -3.082 1.00 0.00 C ATOM 504 O GLN A 37 4.125 7.696 -2.566 1.00 0.00 O ATOM 505 CB GLN A 37 4.656 8.774 -5.387 1.00 0.00 C ATOM 506 CG GLN A 37 5.485 9.274 -6.572 1.00 0.00 C ATOM 507 CD GLN A 37 4.590 9.604 -7.768 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.816 8.788 -8.241 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.738 10.843 -8.229 1.00 0.00 N ATOM 0 H GLN A 37 4.159 6.051 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 37 6.484 7.847 -4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.719 8.349 -5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.398 9.612 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.047 10.161 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.213 8.515 -6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.404 11.476 -7.786 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.185 11.160 -9.025 1.00 0.00 H new ATOM 518 N LYS A 38 6.289 8.339 -2.422 1.00 0.00 N ATOM 519 CA LYS A 38 6.240 8.570 -0.988 1.00 0.00 C ATOM 520 C LYS A 38 6.509 10.050 -0.705 1.00 0.00 C ATOM 521 O LYS A 38 7.655 10.495 -0.747 1.00 0.00 O ATOM 522 CB LYS A 38 7.194 7.622 -0.259 1.00 0.00 C ATOM 523 CG LYS A 38 6.959 6.172 -0.689 1.00 0.00 C ATOM 524 CD LYS A 38 7.746 5.204 0.197 1.00 0.00 C ATOM 525 CE LYS A 38 7.930 3.852 -0.497 1.00 0.00 C ATOM 526 NZ LYS A 38 9.013 3.930 -1.503 1.00 0.00 N ATOM 0 H LYS A 38 7.194 8.524 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 38 5.246 8.345 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.225 7.905 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.052 7.714 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.896 5.940 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.258 6.044 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.721 5.632 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.222 5.063 1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.166 3.086 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.999 3.554 -0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.600 3.940 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.563 4.800 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.638 3.105 -1.405 1.00 0.00 H new ATOM 540 N ASP A 39 5.433 10.770 -0.424 1.00 0.00 N ATOM 541 CA ASP A 39 5.539 12.190 -0.134 1.00 0.00 C ATOM 542 C ASP A 39 5.171 12.436 1.331 1.00 0.00 C ATOM 543 O ASP A 39 3.998 12.385 1.697 1.00 0.00 O ATOM 544 CB ASP A 39 4.579 13.003 -1.006 1.00 0.00 C ATOM 545 CG ASP A 39 5.145 14.324 -1.532 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.837 14.271 -2.571 1.00 0.00 O ATOM 547 OD2 ASP A 39 4.872 15.357 -0.882 1.00 0.00 O ATOM 0 H ASP A 39 4.484 10.397 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 39 6.564 12.501 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.277 12.391 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.679 13.215 -0.429 1.00 0.00 H new ATOM 552 N GLY A 40 6.195 12.699 2.129 1.00 0.00 N ATOM 553 CA GLY A 40 5.994 12.953 3.545 1.00 0.00 C ATOM 554 C GLY A 40 5.624 11.666 4.286 1.00 0.00 C ATOM 555 O GLY A 40 6.181 10.605 4.011 1.00 0.00 O ATOM 0 H GLY A 40 7.167 12.742 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.902 13.376 3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.204 13.693 3.677 1.00 0.00 H new ATOM 559 N GLU A 41 4.686 11.804 5.211 1.00 0.00 N ATOM 560 CA GLU A 41 4.234 10.665 5.994 1.00 0.00 C ATOM 561 C GLU A 41 3.285 9.796 5.167 1.00 0.00 C ATOM 562 O GLU A 41 3.396 8.571 5.172 1.00 0.00 O ATOM 563 CB GLU A 41 3.568 11.123 7.293 1.00 0.00 C ATOM 564 CG GLU A 41 4.592 11.745 8.245 1.00 0.00 C ATOM 565 CD GLU A 41 5.178 10.690 9.185 1.00 0.00 C ATOM 566 OE1 GLU A 41 5.570 9.622 8.666 1.00 0.00 O ATOM 567 OE2 GLU A 41 5.220 10.974 10.402 1.00 0.00 O ATOM 0 H GLU A 41 4.226 12.686 5.436 1.00 0.00 H new ATOM 0 HA GLU A 41 5.103 10.065 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.787 11.849 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.085 10.274 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.393 12.210 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.119 12.535 8.829 1.00 0.00 H new ATOM 574 N TRP A 42 2.372 10.464 4.477 1.00 0.00 N ATOM 575 CA TRP A 42 1.404 9.767 3.647 1.00 0.00 C ATOM 576 C TRP A 42 2.033 9.548 2.269 1.00 0.00 C ATOM 577 O TRP A 42 2.534 10.489 1.655 1.00 0.00 O ATOM 578 CB TRP A 42 0.082 10.535 3.585 1.00 0.00 C ATOM 579 CG TRP A 42 -0.755 10.436 4.862 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.360 10.644 6.125 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.155 10.095 4.948 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.398 10.462 7.016 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.524 10.118 6.277 1.00 0.00 C ATOM 584 CE3 TRP A 42 -3.078 9.779 3.936 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.822 9.833 6.717 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.371 9.496 4.392 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.759 9.514 5.727 1.00 0.00 C ATOM 0 H TRP A 42 2.282 11.480 4.476 1.00 0.00 H new ATOM 0 HA TRP A 42 1.157 8.796 4.075 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.293 11.585 3.381 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.506 10.159 2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.645 10.920 6.410 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.348 10.562 8.030 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.811 9.756 2.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.086 9.858 7.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.120 9.246 3.655 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.778 9.283 5.999 1.00 0.00 H new ATOM 598 N TRP A 43 1.986 8.301 1.824 1.00 0.00 N ATOM 599 CA TRP A 43 2.545 7.946 0.531 1.00 0.00 C ATOM 600 C TRP A 43 1.386 7.608 -0.409 1.00 0.00 C ATOM 601 O TRP A 43 0.267 7.368 0.042 1.00 0.00 O ATOM 602 CB TRP A 43 3.558 6.807 0.665 1.00 0.00 C ATOM 603 CG TRP A 43 4.586 7.016 1.778 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.027 8.175 2.288 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.289 5.986 2.504 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.958 7.967 3.284 1.00 0.00 N ATOM 607 CE2 TRP A 43 6.123 6.594 3.420 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.222 4.586 2.390 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.953 5.880 4.293 1.00 0.00 C ATOM 610 CZ3 TRP A 43 6.058 3.887 3.269 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.904 4.484 4.197 1.00 0.00 C ATOM 0 H TRP A 43 1.569 7.524 2.336 1.00 0.00 H new ATOM 0 HA TRP A 43 3.102 8.783 0.109 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.021 5.877 0.851 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.083 6.688 -0.283 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.695 9.149 1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.438 8.689 3.822 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.577 4.089 1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.596 6.379 5.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.045 2.808 3.223 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.520 3.874 4.841 1.00 0.00 H new ATOM 622 N THR A 44 1.693 7.600 -1.697 1.00 0.00 N ATOM 623 CA THR A 44 0.691 7.295 -2.704 1.00 0.00 C ATOM 624 C THR A 44 0.750 5.815 -3.084 1.00 0.00 C ATOM 625 O THR A 44 1.750 5.349 -3.629 1.00 0.00 O ATOM 626 CB THR A 44 0.911 8.236 -3.890 1.00 0.00 C ATOM 627 OG1 THR A 44 0.385 9.484 -3.445 1.00 0.00 O ATOM 628 CG2 THR A 44 0.040 7.873 -5.095 1.00 0.00 C ATOM 0 H THR A 44 2.622 7.800 -2.067 1.00 0.00 H new ATOM 0 HA THR A 44 -0.316 7.460 -2.322 1.00 0.00 H new ATOM 0 HB THR A 44 1.961 8.213 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.488 10.154 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.235 8.572 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.275 6.860 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.012 7.928 -4.814 1.00 0.00 H new ATOM 636 N GLY A 45 -0.334 5.116 -2.782 1.00 0.00 N ATOM 637 CA GLY A 45 -0.419 3.697 -3.086 1.00 0.00 C ATOM 638 C GLY A 45 -1.341 3.446 -4.281 1.00 0.00 C ATOM 639 O GLY A 45 -2.000 4.364 -4.765 1.00 0.00 O ATOM 0 H GLY A 45 -1.161 5.506 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.576 3.308 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.791 3.157 -2.215 1.00 0.00 H new ATOM 643 N SER A 46 -1.357 2.196 -4.722 1.00 0.00 N ATOM 644 CA SER A 46 -2.188 1.813 -5.851 1.00 0.00 C ATOM 645 C SER A 46 -2.645 0.361 -5.694 1.00 0.00 C ATOM 646 O SER A 46 -2.004 -0.424 -4.998 1.00 0.00 O ATOM 647 CB SER A 46 -1.438 1.993 -7.172 1.00 0.00 C ATOM 648 OG SER A 46 -0.847 3.285 -7.279 1.00 0.00 O ATOM 0 H SER A 46 -0.809 1.437 -4.318 1.00 0.00 H new ATOM 0 HA SER A 46 -3.063 2.463 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.662 1.232 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.126 1.839 -8.003 1.00 0.00 H new ATOM 0 HG SER A 46 -0.377 3.360 -8.135 1.00 0.00 H new ATOM 654 N ILE A 47 -3.752 0.049 -6.353 1.00 0.00 N ATOM 655 CA ILE A 47 -4.303 -1.294 -6.296 1.00 0.00 C ATOM 656 C ILE A 47 -4.784 -1.703 -7.689 1.00 0.00 C ATOM 657 O ILE A 47 -5.767 -1.163 -8.194 1.00 0.00 O ATOM 658 CB ILE A 47 -5.388 -1.383 -5.220 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.790 -1.207 -3.823 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.179 -2.686 -5.345 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.853 -0.736 -2.827 1.00 0.00 C ATOM 0 H ILE A 47 -4.282 0.703 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.535 -2.009 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.091 -0.564 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.362 -2.151 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.976 -0.484 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.943 -2.724 -4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.655 -2.730 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.504 -3.534 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.402 -0.619 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.261 0.220 -3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.654 -1.473 -2.774 1.00 0.00 H new ATOM 673 N GLY A 48 -4.068 -2.655 -8.271 1.00 0.00 N ATOM 674 CA GLY A 48 -4.410 -3.143 -9.597 1.00 0.00 C ATOM 675 C GLY A 48 -4.184 -2.060 -10.654 1.00 0.00 C ATOM 676 O GLY A 48 -3.319 -2.202 -11.517 1.00 0.00 O ATOM 0 H GLY A 48 -3.253 -3.101 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.806 -4.019 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.452 -3.461 -9.614 1.00 0.00 H new ATOM 680 N ASP A 49 -4.977 -1.004 -10.553 1.00 0.00 N ATOM 681 CA ASP A 49 -4.875 0.102 -11.490 1.00 0.00 C ATOM 682 C ASP A 49 -5.555 1.335 -10.893 1.00 0.00 C ATOM 683 O ASP A 49 -6.059 2.186 -11.624 1.00 0.00 O ATOM 684 CB ASP A 49 -5.572 -0.229 -12.811 1.00 0.00 C ATOM 685 CG ASP A 49 -4.715 -0.997 -13.819 1.00 0.00 C ATOM 686 OD1 ASP A 49 -3.476 -0.846 -13.743 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.317 -1.718 -14.643 1.00 0.00 O ATOM 0 H ASP A 49 -5.694 -0.891 -9.836 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.818 0.289 -11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.466 -0.815 -12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.904 0.701 -13.273 1.00 0.00 H new ATOM 692 N ARG A 50 -5.547 1.394 -9.569 1.00 0.00 N ATOM 693 CA ARG A 50 -6.157 2.509 -8.865 1.00 0.00 C ATOM 694 C ARG A 50 -5.078 3.440 -8.309 1.00 0.00 C ATOM 695 O ARG A 50 -3.896 3.098 -8.312 1.00 0.00 O ATOM 696 CB ARG A 50 -7.040 2.018 -7.716 1.00 0.00 C ATOM 697 CG ARG A 50 -7.943 0.870 -8.170 1.00 0.00 C ATOM 698 CD ARG A 50 -8.503 0.105 -6.969 1.00 0.00 C ATOM 699 NE ARG A 50 -9.932 -0.210 -7.191 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.586 -1.204 -6.575 1.00 0.00 C ATOM 701 NH1 ARG A 50 -9.944 -1.986 -5.697 1.00 0.00 N ATOM 702 NH2 ARG A 50 -11.883 -1.416 -6.838 1.00 0.00 N ATOM 0 H ARG A 50 -5.127 0.687 -8.965 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.777 3.052 -9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.414 1.687 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.651 2.841 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.764 1.263 -8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.379 0.190 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.938 -0.815 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.390 0.701 -6.063 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.451 0.365 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.957 -1.825 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.442 -2.743 -5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.372 -0.821 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.381 -2.173 -6.369 1.00 0.00 H new ATOM 716 N SER A 51 -5.523 4.598 -7.844 1.00 0.00 N ATOM 717 CA SER A 51 -4.609 5.580 -7.285 1.00 0.00 C ATOM 718 C SER A 51 -5.299 6.357 -6.162 1.00 0.00 C ATOM 719 O SER A 51 -6.501 6.612 -6.226 1.00 0.00 O ATOM 720 CB SER A 51 -4.108 6.542 -8.364 1.00 0.00 C ATOM 721 OG SER A 51 -4.788 6.358 -9.603 1.00 0.00 O ATOM 0 H SER A 51 -6.504 4.878 -7.843 1.00 0.00 H new ATOM 0 HA SER A 51 -3.747 5.052 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.244 7.569 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.038 6.394 -8.512 1.00 0.00 H new ATOM 0 HG SER A 51 -4.440 6.992 -10.264 1.00 0.00 H new ATOM 727 N GLY A 52 -4.509 6.711 -5.159 1.00 0.00 N ATOM 728 CA GLY A 52 -5.029 7.452 -4.023 1.00 0.00 C ATOM 729 C GLY A 52 -3.979 7.566 -2.915 1.00 0.00 C ATOM 730 O GLY A 52 -2.898 6.989 -3.019 1.00 0.00 O ATOM 0 H GLY A 52 -3.513 6.498 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.335 8.448 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.918 6.955 -3.636 1.00 0.00 H new ATOM 734 N ILE A 53 -4.335 8.313 -1.881 1.00 0.00 N ATOM 735 CA ILE A 53 -3.438 8.509 -0.755 1.00 0.00 C ATOM 736 C ILE A 53 -3.880 7.616 0.406 1.00 0.00 C ATOM 737 O ILE A 53 -5.035 7.199 0.468 1.00 0.00 O ATOM 738 CB ILE A 53 -3.351 9.993 -0.391 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.694 10.509 0.128 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.838 10.818 -1.573 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.518 11.826 0.888 1.00 0.00 C ATOM 0 H ILE A 53 -5.233 8.790 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.424 8.209 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.629 10.105 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.379 10.656 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.145 9.764 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.786 11.869 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.845 10.469 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.517 10.705 -2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.488 12.172 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.852 11.670 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.089 12.575 0.223 1.00 0.00 H new ATOM 753 N PHE A 54 -2.937 7.349 1.298 1.00 0.00 N ATOM 754 CA PHE A 54 -3.214 6.514 2.453 1.00 0.00 C ATOM 755 C PHE A 54 -2.164 6.722 3.546 1.00 0.00 C ATOM 756 O PHE A 54 -1.082 7.245 3.281 1.00 0.00 O ATOM 757 CB PHE A 54 -3.158 5.061 1.978 1.00 0.00 C ATOM 758 CG PHE A 54 -1.743 4.555 1.690 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.959 4.109 2.708 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.268 4.552 0.415 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.354 3.640 2.441 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.045 4.083 0.148 1.00 0.00 C ATOM 763 CZ PHE A 54 0.829 3.636 1.166 1.00 0.00 C ATOM 0 H PHE A 54 -1.980 7.697 1.243 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.188 6.769 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.613 4.424 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.759 4.961 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.336 4.112 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.890 4.906 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.976 3.286 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.422 4.081 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.827 3.278 0.962 1.00 0.00 H new ATOM 773 N PRO A 55 -2.528 6.291 4.783 1.00 0.00 N ATOM 774 CA PRO A 55 -1.630 6.426 5.917 1.00 0.00 C ATOM 775 C PRO A 55 -0.505 5.391 5.851 1.00 0.00 C ATOM 776 O PRO A 55 -0.759 4.188 5.898 1.00 0.00 O ATOM 777 CB PRO A 55 -2.515 6.263 7.142 1.00 0.00 C ATOM 778 CG PRO A 55 -3.784 5.584 6.652 1.00 0.00 C ATOM 779 CD PRO A 55 -3.801 5.668 5.135 1.00 0.00 C ATOM 0 HA PRO A 55 -1.119 7.389 5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.020 5.662 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.739 7.229 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.810 4.544 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.664 6.071 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.896 4.680 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.644 6.262 4.781 1.00 0.00 H new ATOM 787 N SER A 56 0.715 5.896 5.742 1.00 0.00 N ATOM 788 CA SER A 56 1.880 5.031 5.669 1.00 0.00 C ATOM 789 C SER A 56 2.042 4.259 6.980 1.00 0.00 C ATOM 790 O SER A 56 2.837 3.324 7.059 1.00 0.00 O ATOM 791 CB SER A 56 3.146 5.835 5.366 1.00 0.00 C ATOM 792 OG SER A 56 3.587 6.581 6.497 1.00 0.00 O ATOM 0 H SER A 56 0.922 6.894 5.702 1.00 0.00 H new ATOM 0 HA SER A 56 1.729 4.323 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.938 5.158 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.954 6.515 4.536 1.00 0.00 H new ATOM 0 HG SER A 56 3.356 7.526 6.376 1.00 0.00 H new ATOM 798 N ASN A 57 1.276 4.679 7.975 1.00 0.00 N ATOM 799 CA ASN A 57 1.325 4.039 9.279 1.00 0.00 C ATOM 800 C ASN A 57 0.359 2.853 9.296 1.00 0.00 C ATOM 801 O ASN A 57 0.189 2.201 10.325 1.00 0.00 O ATOM 802 CB ASN A 57 0.903 5.009 10.385 1.00 0.00 C ATOM 803 CG ASN A 57 1.836 6.220 10.437 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.878 6.262 9.804 1.00 0.00 O ATOM 805 ND2 ASN A 57 1.406 7.201 11.226 1.00 0.00 N ATOM 0 H ASN A 57 0.618 5.455 7.905 1.00 0.00 H new ATOM 0 HA ASN A 57 2.350 3.713 9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.121 5.341 10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.913 4.496 11.347 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.958 8.052 11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.524 7.102 11.728 1.00 0.00 H new ATOM 812 N TYR A 58 -0.250 2.609 8.145 1.00 0.00 N ATOM 813 CA TYR A 58 -1.194 1.513 8.015 1.00 0.00 C ATOM 814 C TYR A 58 -0.772 0.555 6.899 1.00 0.00 C ATOM 815 O TYR A 58 -1.616 -0.084 6.273 1.00 0.00 O ATOM 816 CB TYR A 58 -2.533 2.152 7.643 1.00 0.00 C ATOM 817 CG TYR A 58 -3.248 2.828 8.815 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.630 3.854 9.501 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.510 2.411 9.187 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.302 4.490 10.604 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.182 3.046 10.291 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.545 4.055 10.945 1.00 0.00 C ATOM 823 OH TYR A 58 -5.180 4.655 11.987 1.00 0.00 O ATOM 0 H TYR A 58 -0.108 3.152 7.294 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.247 0.940 8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.366 2.890 6.858 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.186 1.385 7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.642 4.180 9.210 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.994 1.608 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.830 5.294 11.148 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.169 2.729 10.593 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.059 4.242 12.116 1.00 0.00 H new ATOM 833 N VAL A 59 0.533 0.486 6.684 1.00 0.00 N ATOM 834 CA VAL A 59 1.077 -0.383 5.654 1.00 0.00 C ATOM 835 C VAL A 59 2.433 -0.924 6.113 1.00 0.00 C ATOM 836 O VAL A 59 3.198 -0.217 6.768 1.00 0.00 O ATOM 837 CB VAL A 59 1.153 0.367 4.323 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.203 0.974 3.958 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.243 1.441 4.359 1.00 0.00 C ATOM 0 H VAL A 59 1.230 1.018 7.205 1.00 0.00 H new ATOM 0 HA VAL A 59 0.423 -1.240 5.492 1.00 0.00 H new ATOM 0 HB VAL A 59 1.418 -0.352 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.122 1.502 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.945 0.180 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.510 1.673 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.275 1.959 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.022 2.157 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.209 0.973 4.551 1.00 0.00 H new ATOM 849 N LYS A 60 2.689 -2.172 5.752 1.00 0.00 N ATOM 850 CA LYS A 60 3.939 -2.816 6.119 1.00 0.00 C ATOM 851 C LYS A 60 4.655 -3.288 4.852 1.00 0.00 C ATOM 852 O LYS A 60 4.027 -3.467 3.810 1.00 0.00 O ATOM 853 CB LYS A 60 3.688 -3.932 7.136 1.00 0.00 C ATOM 854 CG LYS A 60 3.273 -5.228 6.437 1.00 0.00 C ATOM 855 CD LYS A 60 2.916 -6.311 7.457 1.00 0.00 C ATOM 856 CE LYS A 60 1.409 -6.577 7.469 1.00 0.00 C ATOM 857 NZ LYS A 60 1.129 -7.945 7.960 1.00 0.00 N ATOM 0 H LYS A 60 2.052 -2.755 5.209 1.00 0.00 H new ATOM 0 HA LYS A 60 4.602 -2.107 6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.590 -4.104 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.908 -3.625 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.418 -5.038 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.085 -5.578 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.449 -7.231 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.242 -6.002 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.910 -5.846 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.004 -6.455 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.102 -8.110 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.590 -8.639 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.498 -8.049 8.927 1.00 0.00 H new ATOM 871 N PRO A 61 5.995 -3.481 4.988 1.00 0.00 N ATOM 872 CA PRO A 61 6.803 -3.929 3.867 1.00 0.00 C ATOM 873 C PRO A 61 6.582 -5.417 3.591 1.00 0.00 C ATOM 874 O PRO A 61 6.851 -6.258 4.447 1.00 0.00 O ATOM 875 CB PRO A 61 8.235 -3.605 4.260 1.00 0.00 C ATOM 876 CG PRO A 61 8.221 -3.416 5.768 1.00 0.00 C ATOM 877 CD PRO A 61 6.772 -3.279 6.207 1.00 0.00 C ATOM 0 HA PRO A 61 6.538 -3.433 2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.910 -4.411 3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.584 -2.703 3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.691 -4.265 6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.790 -2.529 6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.517 -4.018 6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.581 -2.297 6.641 1.00 0.00 H new ATOM 885 N LYS A 62 6.093 -5.698 2.392 1.00 0.00 N ATOM 886 CA LYS A 62 5.832 -7.070 1.992 1.00 0.00 C ATOM 887 C LYS A 62 7.095 -7.907 2.203 1.00 0.00 C ATOM 888 O LYS A 62 7.988 -7.916 1.357 1.00 0.00 O ATOM 889 CB LYS A 62 5.295 -7.119 0.560 1.00 0.00 C ATOM 890 CG LYS A 62 4.149 -8.125 0.438 1.00 0.00 C ATOM 891 CD LYS A 62 3.291 -7.832 -0.794 1.00 0.00 C ATOM 892 CE LYS A 62 3.930 -8.412 -2.058 1.00 0.00 C ATOM 893 NZ LYS A 62 3.131 -8.057 -3.252 1.00 0.00 N ATOM 0 H LYS A 62 5.871 -4.998 1.684 1.00 0.00 H new ATOM 0 HA LYS A 62 5.051 -7.506 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.948 -6.129 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.098 -7.393 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.553 -9.135 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.530 -8.087 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.296 -8.256 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.166 -6.755 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.946 -8.032 -2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.003 -9.496 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.765 -7.917 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.462 -8.825 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.604 -7.179 -3.069 1.00 0.00 H new