USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 389 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 10 TYR OH : rot 54:sc= -1.9 USER MOD Set 1.2: A 41 THR OG1 : rot -120:sc= -1.11 USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.091 (180deg=-0.386) USER MOD Single : A 2 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.032) USER MOD Single : A 6 LYS NZ :NH3+ -120:sc=-0.00322 (180deg=-0.156) USER MOD Single : A 8 THR OG1 : rot 166:sc= 0.536 USER MOD Single : A 12 TYR OH : rot 159:sc= -0.079 USER MOD Single : A 21 ASN : amide:sc= -0.0969 X(o=-0.097,f=-0.32) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 99:sc= -0.472 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= -0.655 (180deg=-0.657) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.155 -8.881 -2.509 1.00 0.00 N ATOM 2 CA ALA A 1 4.546 -7.447 -2.638 1.00 0.00 C ATOM 3 C ALA A 1 3.605 -6.563 -1.814 1.00 0.00 C ATOM 4 O ALA A 1 2.466 -6.916 -1.568 1.00 0.00 O ATOM 5 CB ALA A 1 4.408 -7.133 -4.128 1.00 0.00 C ATOM 0 H1 ALA A 1 4.864 -9.384 -1.939 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.227 -8.947 -2.044 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.101 -9.312 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 1 5.556 -7.260 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.679 -6.092 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.070 -7.784 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.377 -7.299 -4.441 1.00 0.00 H new ATOM 13 N LYS A 2 4.075 -5.418 -1.387 1.00 0.00 N ATOM 14 CA LYS A 2 3.214 -4.503 -0.578 1.00 0.00 C ATOM 15 C LYS A 2 2.888 -3.237 -1.375 1.00 0.00 C ATOM 16 O LYS A 2 3.110 -3.171 -2.571 1.00 0.00 O ATOM 17 CB LYS A 2 4.050 -4.157 0.657 1.00 0.00 C ATOM 18 CG LYS A 2 4.327 -5.430 1.467 1.00 0.00 C ATOM 19 CD LYS A 2 5.755 -5.911 1.199 1.00 0.00 C ATOM 20 CE LYS A 2 6.746 -5.005 1.931 1.00 0.00 C ATOM 21 NZ LYS A 2 6.822 -5.556 3.313 1.00 0.00 N ATOM 0 H LYS A 2 5.020 -5.077 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 2 2.263 -4.964 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.990 -3.695 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.522 -3.430 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.193 -5.232 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.614 -6.208 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.872 -6.941 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.959 -5.900 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.723 -5.016 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.405 -3.970 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.961 -4.779 3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.938 -6.055 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.620 -6.219 3.379 1.00 0.00 H new ATOM 35 N TRP A 3 2.372 -2.231 -0.718 1.00 0.00 N ATOM 36 CA TRP A 3 2.034 -0.957 -1.427 1.00 0.00 C ATOM 37 C TRP A 3 2.463 0.211 -0.548 1.00 0.00 C ATOM 38 O TRP A 3 2.048 0.306 0.591 1.00 0.00 O ATOM 39 CB TRP A 3 0.515 -0.970 -1.584 1.00 0.00 C ATOM 40 CG TRP A 3 0.131 -1.677 -2.842 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.269 -3.003 -3.074 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.466 -1.112 -4.037 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.194 -3.280 -4.349 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.657 -2.144 -4.983 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.848 0.191 -4.385 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.213 -1.890 -6.238 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.408 0.455 -5.646 1.00 0.00 C ATOM 48 CH2 TRP A 3 -1.589 -0.584 -6.572 1.00 0.00 C ATOM 0 H TRP A 3 2.169 -2.235 0.282 1.00 0.00 H new ATOM 0 HA TRP A 3 2.530 -0.862 -2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 3 0.058 -1.464 -0.727 1.00 0.00 H new ATOM 0 HB3 TRP A 3 0.136 0.052 -1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.673 -3.725 -2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.193 -4.210 -4.769 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.711 0.997 -3.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.352 -2.694 -6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.701 1.462 -5.904 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.018 -0.376 -7.541 1.00 0.00 H new ATOM 59 N VAL A 4 3.309 1.083 -1.041 1.00 0.00 N ATOM 60 CA VAL A 4 3.772 2.208 -0.180 1.00 0.00 C ATOM 61 C VAL A 4 3.396 3.580 -0.728 1.00 0.00 C ATOM 62 O VAL A 4 3.376 3.815 -1.920 1.00 0.00 O ATOM 63 CB VAL A 4 5.296 2.048 -0.100 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.902 2.151 -1.502 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.889 3.144 0.804 1.00 0.00 C ATOM 0 H VAL A 4 3.692 1.064 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 4 3.291 2.163 0.797 1.00 0.00 H new ATOM 0 HB VAL A 4 5.531 1.070 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.984 2.037 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.490 1.365 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.664 3.124 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.971 3.026 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.651 4.124 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.465 3.059 1.805 1.00 0.00 H new ATOM 75 N LEU A 5 3.132 4.496 0.168 1.00 0.00 N ATOM 76 CA LEU A 5 2.794 5.885 -0.250 1.00 0.00 C ATOM 77 C LEU A 5 3.973 6.804 0.089 1.00 0.00 C ATOM 78 O LEU A 5 4.355 6.937 1.235 1.00 0.00 O ATOM 79 CB LEU A 5 1.559 6.265 0.567 1.00 0.00 C ATOM 80 CG LEU A 5 0.675 7.208 -0.252 1.00 0.00 C ATOM 81 CD1 LEU A 5 -0.604 7.505 0.522 1.00 0.00 C ATOM 82 CD2 LEU A 5 1.419 8.514 -0.512 1.00 0.00 C ATOM 0 H LEU A 5 3.137 4.338 1.176 1.00 0.00 H new ATOM 0 HA LEU A 5 2.600 5.972 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.000 5.370 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.860 6.747 1.497 1.00 0.00 H new ATOM 0 HG LEU A 5 0.429 6.734 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.234 8.177 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.141 6.575 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.353 7.976 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.787 9.183 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.668 8.987 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.335 8.307 -1.065 1.00 0.00 H new ATOM 94 N LYS A 6 4.566 7.419 -0.901 1.00 0.00 N ATOM 95 CA LYS A 6 5.744 8.316 -0.646 1.00 0.00 C ATOM 96 C LYS A 6 5.410 9.399 0.389 1.00 0.00 C ATOM 97 O LYS A 6 6.224 9.739 1.226 1.00 0.00 O ATOM 98 CB LYS A 6 6.056 8.959 -2.000 1.00 0.00 C ATOM 99 CG LYS A 6 6.537 7.883 -2.976 1.00 0.00 C ATOM 100 CD LYS A 6 8.005 7.556 -2.694 1.00 0.00 C ATOM 101 CE LYS A 6 8.586 6.756 -3.862 1.00 0.00 C ATOM 102 NZ LYS A 6 7.999 5.394 -3.726 1.00 0.00 N ATOM 0 H LYS A 6 4.288 7.342 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 6 6.589 7.756 -0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.167 9.452 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.821 9.727 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.927 6.985 -2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.422 8.231 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.572 8.476 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.090 6.984 -1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.322 7.206 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.674 6.723 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.762 4.697 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.373 5.367 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.451 5.165 -4.580 1.00 0.00 H new ATOM 116 N ILE A 7 4.229 9.949 0.323 1.00 0.00 N ATOM 117 CA ILE A 7 3.838 11.028 1.287 1.00 0.00 C ATOM 118 C ILE A 7 3.758 10.491 2.726 1.00 0.00 C ATOM 119 O ILE A 7 4.295 11.088 3.641 1.00 0.00 O ATOM 120 CB ILE A 7 2.461 11.518 0.813 1.00 0.00 C ATOM 121 CG1 ILE A 7 2.556 12.043 -0.632 1.00 0.00 C ATOM 122 CG2 ILE A 7 1.964 12.642 1.729 1.00 0.00 C ATOM 123 CD1 ILE A 7 3.574 13.187 -0.724 1.00 0.00 C ATOM 0 H ILE A 7 3.512 9.700 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 7 4.574 11.832 1.304 1.00 0.00 H new ATOM 0 HB ILE A 7 1.761 10.683 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.849 11.233 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.578 12.392 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.987 12.985 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.881 12.269 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.670 13.472 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.627 13.545 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.264 14.003 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.555 12.827 -0.414 1.00 0.00 H new ATOM 135 N THR A 8 3.079 9.389 2.941 1.00 0.00 N ATOM 136 CA THR A 8 2.954 8.842 4.334 1.00 0.00 C ATOM 137 C THR A 8 3.907 7.662 4.542 1.00 0.00 C ATOM 138 O THR A 8 4.739 7.678 5.429 1.00 0.00 O ATOM 139 CB THR A 8 1.497 8.372 4.484 1.00 0.00 C ATOM 140 OG1 THR A 8 1.294 7.205 3.707 1.00 0.00 O ATOM 141 CG2 THR A 8 0.524 9.456 4.022 1.00 0.00 C ATOM 0 H THR A 8 2.608 8.846 2.218 1.00 0.00 H new ATOM 0 HA THR A 8 3.211 9.600 5.073 1.00 0.00 H new ATOM 0 HB THR A 8 1.311 8.160 5.537 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.454 6.777 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.500 9.100 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.666 10.353 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.710 9.689 2.974 1.00 0.00 H new ATOM 149 N GLY A 9 3.785 6.637 3.735 1.00 0.00 N ATOM 150 CA GLY A 9 4.671 5.451 3.886 1.00 0.00 C ATOM 151 C GLY A 9 3.837 4.217 4.249 1.00 0.00 C ATOM 152 O GLY A 9 4.351 3.268 4.813 1.00 0.00 O ATOM 0 H GLY A 9 3.106 6.574 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.215 5.273 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.415 5.638 4.661 1.00 0.00 H new ATOM 156 N TYR A 10 2.559 4.204 3.923 1.00 0.00 N ATOM 157 CA TYR A 10 1.711 3.006 4.245 1.00 0.00 C ATOM 158 C TYR A 10 2.338 1.755 3.632 1.00 0.00 C ATOM 159 O TYR A 10 3.165 1.861 2.757 1.00 0.00 O ATOM 160 CB TYR A 10 0.371 3.243 3.558 1.00 0.00 C ATOM 161 CG TYR A 10 -0.280 4.517 4.025 1.00 0.00 C ATOM 162 CD1 TYR A 10 -0.461 4.778 5.387 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.732 5.426 3.072 1.00 0.00 C ATOM 164 CE1 TYR A 10 -1.100 5.959 5.789 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.368 6.602 3.463 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.558 6.871 4.825 1.00 0.00 C ATOM 167 OH TYR A 10 -2.186 8.035 5.219 1.00 0.00 O ATOM 0 H TYR A 10 2.072 4.966 3.452 1.00 0.00 H new ATOM 0 HA TYR A 10 1.614 2.871 5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.518 3.285 2.479 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.293 2.402 3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.110 4.073 6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.588 5.218 2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.240 6.167 6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.714 7.304 2.719 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.613 8.518 5.851 1.00 0.00 H new ATOM 177 N ILE A 11 1.924 0.583 4.060 1.00 0.00 N ATOM 178 CA ILE A 11 2.472 -0.685 3.471 1.00 0.00 C ATOM 179 C ILE A 11 1.379 -1.764 3.456 1.00 0.00 C ATOM 180 O ILE A 11 1.320 -2.600 4.343 1.00 0.00 O ATOM 181 CB ILE A 11 3.608 -1.155 4.388 1.00 0.00 C ATOM 182 CG1 ILE A 11 4.621 -0.025 4.664 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.322 -2.346 3.738 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.342 0.383 3.372 1.00 0.00 C ATOM 0 H ILE A 11 1.228 0.450 4.794 1.00 0.00 H new ATOM 0 HA ILE A 11 2.821 -0.514 2.453 1.00 0.00 H new ATOM 0 HB ILE A 11 3.175 -1.452 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.106 0.837 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.350 -0.355 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.131 -2.684 4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.612 -3.159 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.732 -2.043 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.052 1.181 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.875 -0.477 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.612 0.735 2.643 1.00 0.00 H new ATOM 196 N TYR A 12 0.523 -1.771 2.465 1.00 0.00 N ATOM 197 CA TYR A 12 -0.540 -2.823 2.421 1.00 0.00 C ATOM 198 C TYR A 12 0.073 -4.116 1.879 1.00 0.00 C ATOM 199 O TYR A 12 0.403 -4.216 0.711 1.00 0.00 O ATOM 200 CB TYR A 12 -1.640 -2.283 1.487 1.00 0.00 C ATOM 201 CG TYR A 12 -2.645 -3.375 1.151 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.612 -3.753 2.091 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.604 -4.008 -0.102 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.536 -4.760 1.779 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.531 -5.017 -0.410 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.494 -5.391 0.533 1.00 0.00 C ATOM 207 OH TYR A 12 -5.408 -6.380 0.236 1.00 0.00 O ATOM 0 H TYR A 12 0.513 -1.104 1.694 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.959 -3.043 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.151 -1.446 1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.190 -1.901 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.646 -3.269 3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.859 -3.719 -0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.283 -5.049 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.500 -5.504 -1.374 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.476 -6.481 -0.736 1.00 0.00 H new ATOM 217 N ASP A 13 0.219 -5.104 2.721 1.00 0.00 N ATOM 218 CA ASP A 13 0.802 -6.395 2.263 1.00 0.00 C ATOM 219 C ASP A 13 -0.277 -7.196 1.540 1.00 0.00 C ATOM 220 O ASP A 13 -0.956 -8.017 2.125 1.00 0.00 O ATOM 221 CB ASP A 13 1.247 -7.111 3.540 1.00 0.00 C ATOM 222 CG ASP A 13 2.438 -8.019 3.229 1.00 0.00 C ATOM 223 OD1 ASP A 13 3.556 -7.534 3.279 1.00 0.00 O ATOM 224 OD2 ASP A 13 2.212 -9.184 2.946 1.00 0.00 O ATOM 0 H ASP A 13 -0.041 -5.071 3.707 1.00 0.00 H new ATOM 0 HA ASP A 13 1.636 -6.265 1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.522 -6.381 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.424 -7.700 3.945 1.00 0.00 H new ATOM 229 N GLU A 14 -0.443 -6.946 0.265 1.00 0.00 N ATOM 230 CA GLU A 14 -1.486 -7.669 -0.528 1.00 0.00 C ATOM 231 C GLU A 14 -1.344 -9.189 -0.371 1.00 0.00 C ATOM 232 O GLU A 14 -2.295 -9.923 -0.555 1.00 0.00 O ATOM 233 CB GLU A 14 -1.253 -7.243 -1.980 1.00 0.00 C ATOM 234 CG GLU A 14 -2.395 -7.753 -2.852 1.00 0.00 C ATOM 235 CD GLU A 14 -1.847 -8.207 -4.208 1.00 0.00 C ATOM 236 OE1 GLU A 14 -0.963 -7.541 -4.720 1.00 0.00 O ATOM 237 OE2 GLU A 14 -2.321 -9.212 -4.709 1.00 0.00 O ATOM 0 H GLU A 14 0.103 -6.267 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.493 -7.424 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.189 -6.157 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.303 -7.640 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.901 -8.582 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.136 -6.967 -2.994 1.00 0.00 H new ATOM 244 N ASP A 15 -0.175 -9.663 -0.009 1.00 0.00 N ATOM 245 CA ASP A 15 0.005 -11.135 0.187 1.00 0.00 C ATOM 246 C ASP A 15 -0.887 -11.599 1.341 1.00 0.00 C ATOM 247 O ASP A 15 -1.346 -12.725 1.375 1.00 0.00 O ATOM 248 CB ASP A 15 1.484 -11.322 0.541 1.00 0.00 C ATOM 249 CG ASP A 15 2.264 -11.717 -0.713 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.489 -10.854 -1.545 1.00 0.00 O ATOM 251 OD2 ASP A 15 2.625 -12.878 -0.820 1.00 0.00 O ATOM 0 H ASP A 15 0.657 -9.097 0.158 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.266 -11.713 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.888 -10.400 0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.591 -12.091 1.306 1.00 0.00 H new ATOM 256 N ALA A 16 -1.140 -10.723 2.281 1.00 0.00 N ATOM 257 CA ALA A 16 -2.008 -11.076 3.440 1.00 0.00 C ATOM 258 C ALA A 16 -3.295 -10.253 3.384 1.00 0.00 C ATOM 259 O ALA A 16 -4.364 -10.730 3.712 1.00 0.00 O ATOM 260 CB ALA A 16 -1.193 -10.694 4.674 1.00 0.00 C ATOM 0 H ALA A 16 -0.777 -9.770 2.293 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.289 -12.129 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.765 -10.924 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.260 -11.258 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.971 -9.627 4.648 1.00 0.00 H new ATOM 266 N GLY A 17 -3.189 -9.016 2.974 1.00 0.00 N ATOM 267 CA GLY A 17 -4.391 -8.140 2.893 1.00 0.00 C ATOM 268 C GLY A 17 -4.331 -7.090 4.001 1.00 0.00 C ATOM 269 O GLY A 17 -3.573 -6.142 3.928 1.00 0.00 O ATOM 0 H GLY A 17 -2.315 -8.574 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.435 -7.654 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.297 -8.738 2.992 1.00 0.00 H new ATOM 273 N ASP A 18 -5.125 -7.251 5.031 1.00 0.00 N ATOM 274 CA ASP A 18 -5.129 -6.265 6.159 1.00 0.00 C ATOM 275 C ASP A 18 -6.123 -6.716 7.241 1.00 0.00 C ATOM 276 O ASP A 18 -7.281 -6.351 7.199 1.00 0.00 O ATOM 277 CB ASP A 18 -5.579 -4.923 5.553 1.00 0.00 C ATOM 278 CG ASP A 18 -4.675 -3.800 6.067 1.00 0.00 C ATOM 279 OD1 ASP A 18 -4.426 -3.765 7.260 1.00 0.00 O ATOM 280 OD2 ASP A 18 -4.247 -2.994 5.257 1.00 0.00 O ATOM 0 H ASP A 18 -5.776 -8.029 5.140 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.146 -6.181 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.535 -4.970 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.616 -4.721 5.821 1.00 0.00 H new ATOM 285 N PRO A 19 -5.644 -7.492 8.187 1.00 0.00 N ATOM 286 CA PRO A 19 -6.528 -7.971 9.278 1.00 0.00 C ATOM 287 C PRO A 19 -6.961 -6.803 10.176 1.00 0.00 C ATOM 288 O PRO A 19 -7.936 -6.899 10.897 1.00 0.00 O ATOM 289 CB PRO A 19 -5.653 -8.967 10.039 1.00 0.00 C ATOM 290 CG PRO A 19 -4.250 -8.554 9.734 1.00 0.00 C ATOM 291 CD PRO A 19 -4.268 -7.989 8.339 1.00 0.00 C ATOM 0 HA PRO A 19 -7.452 -8.421 8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.852 -8.930 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.844 -9.990 9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.900 -7.810 10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.572 -9.405 9.800 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.537 -7.189 8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.032 -8.750 7.595 1.00 0.00 H new ATOM 299 N ASP A 20 -6.251 -5.699 10.130 1.00 0.00 N ATOM 300 CA ASP A 20 -6.630 -4.525 10.973 1.00 0.00 C ATOM 301 C ASP A 20 -7.777 -3.754 10.313 1.00 0.00 C ATOM 302 O ASP A 20 -8.621 -3.189 10.983 1.00 0.00 O ATOM 303 CB ASP A 20 -5.371 -3.659 11.042 1.00 0.00 C ATOM 304 CG ASP A 20 -5.611 -2.484 11.992 1.00 0.00 C ATOM 305 OD1 ASP A 20 -5.539 -2.694 13.191 1.00 0.00 O ATOM 306 OD2 ASP A 20 -5.862 -1.394 11.503 1.00 0.00 O ATOM 0 H ASP A 20 -5.427 -5.563 9.545 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.972 -4.821 11.965 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.526 -4.254 11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.115 -3.291 10.048 1.00 0.00 H new ATOM 311 N ASN A 21 -7.812 -3.730 9.004 1.00 0.00 N ATOM 312 CA ASN A 21 -8.903 -2.996 8.289 1.00 0.00 C ATOM 313 C ASN A 21 -10.042 -3.953 7.906 1.00 0.00 C ATOM 314 O ASN A 21 -10.891 -3.614 7.103 1.00 0.00 O ATOM 315 CB ASN A 21 -8.239 -2.426 7.029 1.00 0.00 C ATOM 316 CG ASN A 21 -7.960 -0.934 7.224 1.00 0.00 C ATOM 317 OD1 ASN A 21 -8.818 -0.197 7.668 1.00 0.00 O ATOM 318 ND2 ASN A 21 -6.788 -0.454 6.909 1.00 0.00 N ATOM 0 H ASN A 21 -7.131 -4.188 8.398 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.344 -2.217 8.911 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.309 -2.956 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.887 -2.575 6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.593 0.539 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.067 -1.072 6.536 1.00 0.00 H new ATOM 325 N GLY A 22 -10.069 -5.145 8.464 1.00 0.00 N ATOM 326 CA GLY A 22 -11.156 -6.119 8.118 1.00 0.00 C ATOM 327 C GLY A 22 -11.182 -6.330 6.601 1.00 0.00 C ATOM 328 O GLY A 22 -12.119 -5.939 5.929 1.00 0.00 O ATOM 0 H GLY A 22 -9.386 -5.483 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.985 -7.068 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.120 -5.743 8.461 1.00 0.00 H new ATOM 332 N ILE A 23 -10.147 -6.920 6.060 1.00 0.00 N ATOM 333 CA ILE A 23 -10.092 -7.133 4.585 1.00 0.00 C ATOM 334 C ILE A 23 -9.925 -8.616 4.247 1.00 0.00 C ATOM 335 O ILE A 23 -9.623 -9.434 5.096 1.00 0.00 O ATOM 336 CB ILE A 23 -8.869 -6.325 4.125 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.055 -4.839 4.488 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.691 -6.462 2.611 1.00 0.00 C ATOM 339 CD1 ILE A 23 -10.327 -4.283 3.831 1.00 0.00 C ATOM 0 H ILE A 23 -9.338 -7.263 6.577 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.010 -6.816 4.090 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.983 -6.711 4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.119 -4.728 5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.188 -4.266 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.822 -5.886 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.544 -7.511 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.580 -6.086 2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.444 -3.232 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.248 -4.377 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.193 -4.845 4.181 1.00 0.00 H new ATOM 351 N SER A 24 -10.128 -8.958 3.001 1.00 0.00 N ATOM 352 CA SER A 24 -9.995 -10.381 2.568 1.00 0.00 C ATOM 353 C SER A 24 -8.516 -10.797 2.530 1.00 0.00 C ATOM 354 O SER A 24 -7.658 -9.980 2.262 1.00 0.00 O ATOM 355 CB SER A 24 -10.593 -10.416 1.159 1.00 0.00 C ATOM 356 OG SER A 24 -11.931 -10.894 1.230 1.00 0.00 O ATOM 0 H SER A 24 -10.382 -8.306 2.259 1.00 0.00 H new ATOM 0 HA SER A 24 -10.497 -11.067 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.573 -9.419 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.997 -11.062 0.514 1.00 0.00 H new ATOM 0 HG SER A 24 -12.319 -10.916 0.330 1.00 0.00 H new ATOM 362 N PRO A 25 -8.256 -12.063 2.792 1.00 0.00 N ATOM 363 CA PRO A 25 -6.857 -12.559 2.771 1.00 0.00 C ATOM 364 C PRO A 25 -6.359 -12.659 1.327 1.00 0.00 C ATOM 365 O PRO A 25 -6.929 -13.364 0.515 1.00 0.00 O ATOM 366 CB PRO A 25 -6.954 -13.943 3.410 1.00 0.00 C ATOM 367 CG PRO A 25 -8.366 -14.379 3.182 1.00 0.00 C ATOM 368 CD PRO A 25 -9.212 -13.133 3.127 1.00 0.00 C ATOM 0 HA PRO A 25 -6.159 -11.906 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.248 -14.638 2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.721 -13.903 4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.450 -14.943 2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.700 -15.036 3.985 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.996 -13.217 2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.704 -12.943 4.081 1.00 0.00 H new ATOM 376 N GLY A 26 -5.307 -11.951 0.998 1.00 0.00 N ATOM 377 CA GLY A 26 -4.780 -11.994 -0.397 1.00 0.00 C ATOM 378 C GLY A 26 -5.708 -11.182 -1.298 1.00 0.00 C ATOM 379 O GLY A 26 -6.429 -11.722 -2.115 1.00 0.00 O ATOM 0 H GLY A 26 -4.792 -11.346 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.769 -11.587 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.721 -13.025 -0.747 1.00 0.00 H new ATOM 383 N THR A 27 -5.702 -9.885 -1.138 1.00 0.00 N ATOM 384 CA THR A 27 -6.590 -9.015 -1.963 1.00 0.00 C ATOM 385 C THR A 27 -5.760 -7.953 -2.697 1.00 0.00 C ATOM 386 O THR A 27 -5.085 -7.153 -2.084 1.00 0.00 O ATOM 387 CB THR A 27 -7.540 -8.373 -0.934 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.466 -9.352 -0.484 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.308 -7.198 -1.554 1.00 0.00 C ATOM 0 H THR A 27 -5.116 -9.388 -0.467 1.00 0.00 H new ATOM 0 HA THR A 27 -7.130 -9.562 -2.736 1.00 0.00 H new ATOM 0 HB THR A 27 -6.948 -7.997 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.168 -9.713 0.377 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.972 -6.762 -0.807 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.602 -6.442 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.897 -7.554 -2.399 1.00 0.00 H new ATOM 397 N LYS A 28 -5.828 -7.931 -4.007 1.00 0.00 N ATOM 398 CA LYS A 28 -5.065 -6.910 -4.790 1.00 0.00 C ATOM 399 C LYS A 28 -5.456 -5.500 -4.326 1.00 0.00 C ATOM 400 O LYS A 28 -6.610 -5.125 -4.397 1.00 0.00 O ATOM 401 CB LYS A 28 -5.477 -7.123 -6.256 1.00 0.00 C ATOM 402 CG LYS A 28 -4.278 -7.624 -7.065 1.00 0.00 C ATOM 403 CD LYS A 28 -4.170 -9.145 -6.936 1.00 0.00 C ATOM 404 CE LYS A 28 -4.871 -9.810 -8.124 1.00 0.00 C ATOM 405 NZ LYS A 28 -3.812 -9.959 -9.161 1.00 0.00 N ATOM 0 H LYS A 28 -6.381 -8.579 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.988 -7.012 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.292 -7.844 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.847 -6.189 -6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.391 -7.345 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.363 -7.153 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.122 -9.444 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.624 -9.474 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.289 -10.777 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.697 -9.199 -8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.216 -10.408 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.437 -9.022 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.042 -10.551 -8.789 1.00 0.00 H new ATOM 419 N PHE A 29 -4.512 -4.718 -3.841 1.00 0.00 N ATOM 420 CA PHE A 29 -4.846 -3.326 -3.366 1.00 0.00 C ATOM 421 C PHE A 29 -5.687 -2.574 -4.414 1.00 0.00 C ATOM 422 O PHE A 29 -6.598 -1.842 -4.078 1.00 0.00 O ATOM 423 CB PHE A 29 -3.494 -2.632 -3.165 1.00 0.00 C ATOM 424 CG PHE A 29 -3.715 -1.216 -2.677 1.00 0.00 C ATOM 425 CD1 PHE A 29 -4.038 -0.205 -3.591 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.603 -0.916 -1.315 1.00 0.00 C ATOM 427 CE1 PHE A 29 -4.247 1.105 -3.143 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.810 0.393 -0.867 1.00 0.00 C ATOM 429 CZ PHE A 29 -4.133 1.404 -1.780 1.00 0.00 C ATOM 0 H PHE A 29 -3.530 -4.980 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.436 -3.345 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.894 -3.186 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.937 -2.621 -4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.126 -0.436 -4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.357 -1.695 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.496 1.884 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.721 0.624 0.184 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.294 2.414 -1.433 1.00 0.00 H new ATOM 439 N GLU A 30 -5.388 -2.762 -5.674 1.00 0.00 N ATOM 440 CA GLU A 30 -6.172 -2.070 -6.743 1.00 0.00 C ATOM 441 C GLU A 30 -7.590 -2.653 -6.827 1.00 0.00 C ATOM 442 O GLU A 30 -8.493 -2.030 -7.354 1.00 0.00 O ATOM 443 CB GLU A 30 -5.403 -2.326 -8.045 1.00 0.00 C ATOM 444 CG GLU A 30 -5.264 -3.833 -8.291 1.00 0.00 C ATOM 445 CD GLU A 30 -5.114 -4.092 -9.791 1.00 0.00 C ATOM 446 OE1 GLU A 30 -6.031 -3.761 -10.524 1.00 0.00 O ATOM 447 OE2 GLU A 30 -4.085 -4.617 -10.182 1.00 0.00 O ATOM 0 H GLU A 30 -4.636 -3.364 -6.009 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.280 -1.004 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.924 -1.860 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.416 -1.867 -7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.398 -4.222 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.138 -4.358 -7.906 1.00 0.00 H new ATOM 454 N GLU A 31 -7.789 -3.846 -6.316 1.00 0.00 N ATOM 455 CA GLU A 31 -9.141 -4.476 -6.368 1.00 0.00 C ATOM 456 C GLU A 31 -9.955 -4.133 -5.113 1.00 0.00 C ATOM 457 O GLU A 31 -11.162 -4.295 -5.093 1.00 0.00 O ATOM 458 CB GLU A 31 -8.868 -5.978 -6.435 1.00 0.00 C ATOM 459 CG GLU A 31 -10.165 -6.720 -6.762 1.00 0.00 C ATOM 460 CD GLU A 31 -9.983 -8.213 -6.484 1.00 0.00 C ATOM 461 OE1 GLU A 31 -9.224 -8.842 -7.204 1.00 0.00 O ATOM 462 OE2 GLU A 31 -10.604 -8.702 -5.556 1.00 0.00 O ATOM 0 H GLU A 31 -7.069 -4.409 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.724 -4.121 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.115 -6.188 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.467 -6.328 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.984 -6.325 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.432 -6.564 -7.807 1.00 0.00 H new ATOM 469 N LEU A 32 -9.315 -3.662 -4.063 1.00 0.00 N ATOM 470 CA LEU A 32 -10.070 -3.315 -2.813 1.00 0.00 C ATOM 471 C LEU A 32 -11.185 -2.300 -3.131 1.00 0.00 C ATOM 472 O LEU A 32 -11.129 -1.633 -4.145 1.00 0.00 O ATOM 473 CB LEU A 32 -9.031 -2.701 -1.865 1.00 0.00 C ATOM 474 CG LEU A 32 -8.520 -3.765 -0.888 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.340 -3.202 -0.095 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.635 -4.165 0.083 1.00 0.00 C ATOM 0 H LEU A 32 -8.308 -3.504 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.551 -4.187 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.199 -2.293 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.475 -1.872 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.203 -4.642 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.975 -3.958 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.540 -2.924 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.662 -2.322 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.262 -4.922 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.959 -3.289 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.478 -4.569 -0.478 1.00 0.00 H new ATOM 488 N PRO A 33 -12.173 -2.219 -2.265 1.00 0.00 N ATOM 489 CA PRO A 33 -13.295 -1.285 -2.494 1.00 0.00 C ATOM 490 C PRO A 33 -12.953 0.106 -1.955 1.00 0.00 C ATOM 491 O PRO A 33 -11.872 0.332 -1.443 1.00 0.00 O ATOM 492 CB PRO A 33 -14.435 -1.904 -1.693 1.00 0.00 C ATOM 493 CG PRO A 33 -13.782 -2.720 -0.616 1.00 0.00 C ATOM 494 CD PRO A 33 -12.344 -2.968 -1.013 1.00 0.00 C ATOM 0 HA PRO A 33 -13.535 -1.153 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.076 -1.133 -1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.066 -2.527 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.827 -2.195 0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.308 -3.666 -0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.654 -2.619 -0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.150 -4.031 -1.157 1.00 0.00 H new ATOM 502 N ASP A 34 -13.872 1.033 -2.058 1.00 0.00 N ATOM 503 CA ASP A 34 -13.608 2.411 -1.542 1.00 0.00 C ATOM 504 C ASP A 34 -13.499 2.396 -0.014 1.00 0.00 C ATOM 505 O ASP A 34 -12.985 3.324 0.584 1.00 0.00 O ATOM 506 CB ASP A 34 -14.800 3.259 -1.999 1.00 0.00 C ATOM 507 CG ASP A 34 -16.102 2.676 -1.440 1.00 0.00 C ATOM 508 OD1 ASP A 34 -16.484 3.069 -0.350 1.00 0.00 O ATOM 509 OD2 ASP A 34 -16.692 1.846 -2.111 1.00 0.00 O ATOM 0 H ASP A 34 -14.792 0.896 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.668 2.814 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.677 4.287 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.842 3.286 -3.088 1.00 0.00 H new ATOM 514 N ASP A 35 -13.956 1.342 0.622 1.00 0.00 N ATOM 515 CA ASP A 35 -13.853 1.264 2.109 1.00 0.00 C ATOM 516 C ASP A 35 -12.380 1.309 2.539 1.00 0.00 C ATOM 517 O ASP A 35 -12.073 1.567 3.689 1.00 0.00 O ATOM 518 CB ASP A 35 -14.480 -0.079 2.489 1.00 0.00 C ATOM 519 CG ASP A 35 -16.005 0.033 2.421 1.00 0.00 C ATOM 520 OD1 ASP A 35 -16.547 -0.162 1.345 1.00 0.00 O ATOM 521 OD2 ASP A 35 -16.606 0.311 3.446 1.00 0.00 O ATOM 0 H ASP A 35 -14.394 0.537 0.174 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.356 2.098 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.131 -0.860 1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.170 -0.366 3.494 1.00 0.00 H new ATOM 526 N TRP A 36 -11.463 1.067 1.624 1.00 0.00 N ATOM 527 CA TRP A 36 -10.016 1.104 1.985 1.00 0.00 C ATOM 528 C TRP A 36 -9.367 2.363 1.404 1.00 0.00 C ATOM 529 O TRP A 36 -9.260 2.518 0.202 1.00 0.00 O ATOM 530 CB TRP A 36 -9.408 -0.154 1.356 1.00 0.00 C ATOM 531 CG TRP A 36 -8.199 -0.562 2.140 1.00 0.00 C ATOM 532 CD1 TRP A 36 -8.108 -1.669 2.916 1.00 0.00 C ATOM 533 CD2 TRP A 36 -6.910 0.112 2.244 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.850 -1.714 3.488 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.076 -0.638 3.105 1.00 0.00 C ATOM 536 CE3 TRP A 36 -6.389 1.290 1.680 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -4.774 -0.233 3.398 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.081 1.700 1.972 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.274 0.941 2.832 1.00 0.00 C ATOM 0 H TRP A 36 -11.660 0.847 0.648 1.00 0.00 H new ATOM 0 HA TRP A 36 -9.860 1.129 3.064 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -10.140 -0.961 1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -9.135 0.039 0.319 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.891 -2.398 3.064 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.533 -2.452 4.116 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.001 1.883 1.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.157 -0.824 4.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.692 2.606 1.532 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.268 1.264 3.056 1.00 0.00 H new ATOM 550 N VAL A 37 -8.929 3.263 2.251 1.00 0.00 N ATOM 551 CA VAL A 37 -8.277 4.520 1.769 1.00 0.00 C ATOM 552 C VAL A 37 -7.739 5.304 2.972 1.00 0.00 C ATOM 553 O VAL A 37 -8.275 5.220 4.059 1.00 0.00 O ATOM 554 CB VAL A 37 -9.384 5.302 1.042 1.00 0.00 C ATOM 555 CG1 VAL A 37 -10.526 5.618 2.015 1.00 0.00 C ATOM 556 CG2 VAL A 37 -8.812 6.609 0.475 1.00 0.00 C ATOM 0 H VAL A 37 -8.996 3.179 3.265 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.434 4.332 1.105 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.769 4.693 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.306 6.172 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.940 4.688 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.145 6.219 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.601 7.159 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.417 7.217 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.011 6.381 -0.228 1.00 0.00 H new ATOM 566 N ALA A 38 -6.683 6.052 2.785 1.00 0.00 N ATOM 567 CA ALA A 38 -6.103 6.834 3.917 1.00 0.00 C ATOM 568 C ALA A 38 -6.743 8.233 3.992 1.00 0.00 C ATOM 569 O ALA A 38 -6.490 9.061 3.140 1.00 0.00 O ATOM 570 CB ALA A 38 -4.617 6.940 3.584 1.00 0.00 C ATOM 0 H ALA A 38 -6.196 6.155 1.895 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.280 6.361 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.108 7.503 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.187 5.941 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.494 7.453 2.630 1.00 0.00 H new ATOM 576 N PRO A 39 -7.556 8.463 5.006 1.00 0.00 N ATOM 577 CA PRO A 39 -8.216 9.787 5.152 1.00 0.00 C ATOM 578 C PRO A 39 -7.220 10.843 5.646 1.00 0.00 C ATOM 579 O PRO A 39 -7.426 12.029 5.462 1.00 0.00 O ATOM 580 CB PRO A 39 -9.296 9.540 6.200 1.00 0.00 C ATOM 581 CG PRO A 39 -8.807 8.374 6.998 1.00 0.00 C ATOM 582 CD PRO A 39 -7.938 7.542 6.092 1.00 0.00 C ATOM 0 HA PRO A 39 -8.614 10.163 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.440 10.417 6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.256 9.322 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.242 8.713 7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.645 7.786 7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.062 7.163 6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.478 6.676 5.708 1.00 0.00 H new ATOM 590 N ILE A 40 -6.149 10.426 6.277 1.00 0.00 N ATOM 591 CA ILE A 40 -5.143 11.411 6.789 1.00 0.00 C ATOM 592 C ILE A 40 -4.562 12.221 5.623 1.00 0.00 C ATOM 593 O ILE A 40 -4.354 13.415 5.731 1.00 0.00 O ATOM 594 CB ILE A 40 -4.055 10.566 7.466 1.00 0.00 C ATOM 595 CG1 ILE A 40 -4.663 9.797 8.643 1.00 0.00 C ATOM 596 CG2 ILE A 40 -2.937 11.475 7.986 1.00 0.00 C ATOM 597 CD1 ILE A 40 -3.624 8.825 9.208 1.00 0.00 C ATOM 0 H ILE A 40 -5.927 9.447 6.460 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.581 12.127 7.485 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.645 9.866 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.986 10.492 9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.548 9.251 8.316 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.168 10.869 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.499 12.025 7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.348 12.179 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.056 8.277 10.046 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.323 8.122 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.752 9.383 9.550 1.00 0.00 H new ATOM 609 N THR A 41 -4.302 11.579 4.514 1.00 0.00 N ATOM 610 CA THR A 41 -3.734 12.304 3.337 1.00 0.00 C ATOM 611 C THR A 41 -4.098 11.575 2.042 1.00 0.00 C ATOM 612 O THR A 41 -3.263 11.368 1.181 1.00 0.00 O ATOM 613 CB THR A 41 -2.219 12.295 3.553 1.00 0.00 C ATOM 614 OG1 THR A 41 -1.819 11.031 4.065 1.00 0.00 O ATOM 615 CG2 THR A 41 -1.836 13.394 4.545 1.00 0.00 C ATOM 0 H THR A 41 -4.459 10.581 4.372 1.00 0.00 H new ATOM 0 HA THR A 41 -4.124 13.318 3.251 1.00 0.00 H new ATOM 0 HB THR A 41 -1.717 12.476 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.391 11.152 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.757 13.386 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.140 14.363 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.338 13.217 5.496 1.00 0.00 H new ATOM 623 N GLY A 42 -5.340 11.186 1.901 1.00 0.00 N ATOM 624 CA GLY A 42 -5.769 10.468 0.665 1.00 0.00 C ATOM 625 C GLY A 42 -7.295 10.466 0.576 1.00 0.00 C ATOM 626 O GLY A 42 -7.973 11.144 1.323 1.00 0.00 O ATOM 0 H GLY A 42 -6.076 11.336 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.344 10.952 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.394 9.445 0.678 1.00 0.00 H new ATOM 630 N ALA A 43 -7.840 9.696 -0.335 1.00 0.00 N ATOM 631 CA ALA A 43 -9.330 9.625 -0.489 1.00 0.00 C ATOM 632 C ALA A 43 -9.710 8.596 -1.574 1.00 0.00 C ATOM 633 O ALA A 43 -10.540 7.742 -1.332 1.00 0.00 O ATOM 634 CB ALA A 43 -9.791 11.033 -0.892 1.00 0.00 C ATOM 0 H ALA A 43 -7.314 9.110 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.809 9.306 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.874 11.039 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.512 11.744 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.315 11.317 -1.830 1.00 0.00 H new ATOM 640 N PRO A 44 -9.100 8.698 -2.740 1.00 0.00 N ATOM 641 CA PRO A 44 -9.402 7.756 -3.836 1.00 0.00 C ATOM 642 C PRO A 44 -8.414 6.585 -3.817 1.00 0.00 C ATOM 643 O PRO A 44 -7.473 6.571 -3.045 1.00 0.00 O ATOM 644 CB PRO A 44 -9.188 8.609 -5.082 1.00 0.00 C ATOM 645 CG PRO A 44 -8.222 9.690 -4.677 1.00 0.00 C ATOM 646 CD PRO A 44 -8.090 9.670 -3.170 1.00 0.00 C ATOM 0 HA PRO A 44 -10.399 7.320 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.786 8.012 -5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.129 9.035 -5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.251 9.527 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.579 10.663 -5.014 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.089 9.369 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.274 10.654 -2.740 1.00 0.00 H new ATOM 654 N LYS A 45 -8.617 5.610 -4.667 1.00 0.00 N ATOM 655 CA LYS A 45 -7.687 4.442 -4.710 1.00 0.00 C ATOM 656 C LYS A 45 -6.334 4.861 -5.288 1.00 0.00 C ATOM 657 O LYS A 45 -5.292 4.442 -4.819 1.00 0.00 O ATOM 658 CB LYS A 45 -8.361 3.426 -5.635 1.00 0.00 C ATOM 659 CG LYS A 45 -9.025 2.342 -4.794 1.00 0.00 C ATOM 660 CD LYS A 45 -7.939 1.461 -4.180 1.00 0.00 C ATOM 661 CE LYS A 45 -8.582 0.364 -3.324 1.00 0.00 C ATOM 662 NZ LYS A 45 -7.786 0.342 -2.064 1.00 0.00 N ATOM 0 H LYS A 45 -9.388 5.573 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.501 4.034 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.103 3.923 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.625 2.982 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.634 2.792 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.694 1.742 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.334 1.012 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.269 2.066 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.631 0.583 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.548 -0.601 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.156 -0.397 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.790 0.141 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.856 1.267 -1.593 1.00 0.00 H new ATOM 676 N SER A 46 -6.350 5.675 -6.310 1.00 0.00 N ATOM 677 CA SER A 46 -5.071 6.130 -6.945 1.00 0.00 C ATOM 678 C SER A 46 -4.311 7.086 -6.014 1.00 0.00 C ATOM 679 O SER A 46 -4.101 8.243 -6.330 1.00 0.00 O ATOM 680 CB SER A 46 -5.494 6.850 -8.227 1.00 0.00 C ATOM 681 OG SER A 46 -5.868 5.888 -9.204 1.00 0.00 O ATOM 0 H SER A 46 -7.198 6.048 -6.737 1.00 0.00 H new ATOM 0 HA SER A 46 -4.400 5.295 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.328 7.521 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.675 7.465 -8.600 1.00 0.00 H new ATOM 0 HG SER A 46 -6.141 6.346 -10.026 1.00 0.00 H new ATOM 687 N GLU A 47 -3.897 6.604 -4.872 1.00 0.00 N ATOM 688 CA GLU A 47 -3.146 7.465 -3.907 1.00 0.00 C ATOM 689 C GLU A 47 -1.891 6.737 -3.400 1.00 0.00 C ATOM 690 O GLU A 47 -0.875 7.352 -3.132 1.00 0.00 O ATOM 691 CB GLU A 47 -4.126 7.726 -2.762 1.00 0.00 C ATOM 692 CG GLU A 47 -4.041 9.194 -2.324 1.00 0.00 C ATOM 693 CD GLU A 47 -3.201 9.307 -1.051 1.00 0.00 C ATOM 694 OE1 GLU A 47 -3.464 8.561 -0.123 1.00 0.00 O ATOM 695 OE2 GLU A 47 -2.309 10.139 -1.025 1.00 0.00 O ATOM 0 H GLU A 47 -4.047 5.644 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.802 8.393 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.142 7.491 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.897 7.073 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.597 9.795 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.041 9.589 -2.147 1.00 0.00 H new ATOM 702 N PHE A 48 -1.954 5.433 -3.270 1.00 0.00 N ATOM 703 CA PHE A 48 -0.772 4.655 -2.786 1.00 0.00 C ATOM 704 C PHE A 48 0.227 4.439 -3.928 1.00 0.00 C ATOM 705 O PHE A 48 0.064 4.963 -5.014 1.00 0.00 O ATOM 706 CB PHE A 48 -1.344 3.306 -2.349 1.00 0.00 C ATOM 707 CG PHE A 48 -1.691 3.308 -0.878 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.333 4.404 -0.271 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.382 2.177 -0.124 1.00 0.00 C ATOM 710 CE1 PHE A 48 -2.658 4.353 1.086 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.702 2.131 1.236 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.339 3.218 1.841 1.00 0.00 C ATOM 0 H PHE A 48 -2.779 4.872 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.246 5.171 -1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.235 3.079 -2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.619 2.518 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.573 5.281 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.894 1.334 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.156 5.190 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.457 1.256 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.585 3.182 2.892 1.00 0.00 H new ATOM 722 N GLU A 49 1.247 3.653 -3.690 1.00 0.00 N ATOM 723 CA GLU A 49 2.249 3.370 -4.747 1.00 0.00 C ATOM 724 C GLU A 49 2.823 1.966 -4.540 1.00 0.00 C ATOM 725 O GLU A 49 3.550 1.715 -3.599 1.00 0.00 O ATOM 726 CB GLU A 49 3.332 4.437 -4.582 1.00 0.00 C ATOM 727 CG GLU A 49 3.828 4.881 -5.960 1.00 0.00 C ATOM 728 CD GLU A 49 2.917 5.986 -6.499 1.00 0.00 C ATOM 729 OE1 GLU A 49 2.746 6.975 -5.806 1.00 0.00 O ATOM 730 OE2 GLU A 49 2.405 5.823 -7.594 1.00 0.00 O ATOM 0 H GLU A 49 1.425 3.193 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 49 1.821 3.400 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.935 5.292 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.161 4.041 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.854 5.243 -5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.835 4.034 -6.646 1.00 0.00 H new ATOM 737 N LYS A 50 2.492 1.049 -5.415 1.00 0.00 N ATOM 738 CA LYS A 50 3.004 -0.353 -5.278 1.00 0.00 C ATOM 739 C LYS A 50 4.534 -0.366 -5.264 1.00 0.00 C ATOM 740 O LYS A 50 5.171 0.625 -5.569 1.00 0.00 O ATOM 741 CB LYS A 50 2.470 -1.106 -6.504 1.00 0.00 C ATOM 742 CG LYS A 50 2.924 -0.406 -7.790 1.00 0.00 C ATOM 743 CD LYS A 50 2.881 -1.399 -8.954 1.00 0.00 C ATOM 744 CE LYS A 50 1.427 -1.749 -9.277 1.00 0.00 C ATOM 745 NZ LYS A 50 1.065 -0.869 -10.422 1.00 0.00 N ATOM 0 H LYS A 50 1.888 1.210 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 50 2.676 -0.814 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.830 -2.135 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.381 -1.149 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.277 0.446 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.935 -0.017 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.365 -0.968 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.434 -2.302 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.323 -2.802 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.778 -1.569 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.080 -1.051 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.167 0.127 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.695 -1.068 -11.225 1.00 0.00 H new ATOM 759 N LEU A 51 5.125 -1.481 -4.917 1.00 0.00 N ATOM 760 CA LEU A 51 6.615 -1.565 -4.885 1.00 0.00 C ATOM 761 C LEU A 51 7.149 -2.017 -6.248 1.00 0.00 C ATOM 762 O LEU A 51 7.967 -2.913 -6.338 1.00 0.00 O ATOM 763 CB LEU A 51 6.937 -2.606 -3.812 1.00 0.00 C ATOM 764 CG LEU A 51 8.234 -2.220 -3.094 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.511 -3.225 -1.975 1.00 0.00 C ATOM 766 CD2 LEU A 51 9.398 -2.235 -4.089 1.00 0.00 C ATOM 0 H LEU A 51 4.638 -2.338 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 51 7.075 -0.602 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.118 -2.670 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.040 -3.591 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 51 8.131 -1.220 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.433 -2.953 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.684 -3.216 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.613 -4.224 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.319 -1.960 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.503 -3.234 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.202 -1.521 -4.889 1.00 0.00 H new ATOM 778 N GLU A 52 6.690 -1.400 -7.305 1.00 0.00 N ATOM 779 CA GLU A 52 7.159 -1.781 -8.668 1.00 0.00 C ATOM 780 C GLU A 52 8.665 -1.534 -8.796 1.00 0.00 C ATOM 781 O GLU A 52 9.271 -0.900 -7.954 1.00 0.00 O ATOM 782 CB GLU A 52 6.380 -0.886 -9.643 1.00 0.00 C ATOM 783 CG GLU A 52 6.575 0.591 -9.277 1.00 0.00 C ATOM 784 CD GLU A 52 6.672 1.430 -10.552 1.00 0.00 C ATOM 785 OE1 GLU A 52 5.895 1.184 -11.460 1.00 0.00 O ATOM 786 OE2 GLU A 52 7.521 2.304 -10.600 1.00 0.00 O ATOM 0 H GLU A 52 6.006 -0.644 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 52 6.988 -2.837 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.721 -1.064 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.320 -1.139 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.742 0.937 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.480 0.712 -8.681 1.00 0.00 H new ATOM 793 N ASP A 53 9.269 -2.029 -9.848 1.00 0.00 N ATOM 794 CA ASP A 53 10.731 -1.829 -10.048 1.00 0.00 C ATOM 795 C ASP A 53 11.146 -2.321 -11.437 1.00 0.00 C ATOM 796 O ASP A 53 10.306 -2.311 -12.322 1.00 0.00 O ATOM 797 CB ASP A 53 11.412 -2.662 -8.959 1.00 0.00 C ATOM 798 CG ASP A 53 12.672 -1.940 -8.476 1.00 0.00 C ATOM 799 OD1 ASP A 53 12.576 -0.765 -8.166 1.00 0.00 O ATOM 800 OD2 ASP A 53 13.712 -2.576 -8.425 1.00 0.00 O ATOM 801 OXT ASP A 53 12.295 -2.698 -11.591 1.00 0.00 O ATOM 0 H ASP A 53 8.805 -2.567 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 53 11.011 -0.777 -9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.728 -2.819 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.671 -3.647 -9.348 1.00 0.00 H new TER 806 ASP A 53