USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.55 USER MOD Single : A 7 THR OG1 : rot -93:sc= 0.526! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 23:sc= -1.59 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 19 SER OG : rot 180:sc= 0.125 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.22) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= -0.018 (180deg=-0.0319) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= -0.0137 (180deg=-0.0137) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 120:sc= -1.42 USER MOD Single : A 38 ASN : amide:sc= -1.76! C(o=-1.8!,f=-11!) USER MOD Single : A 50 HIS : no HE2:sc= -4.04! C(o=-4!,f=-4.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.78 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -15.524 -15.886 -9.529 1.00 0.00 N ATOM 38 CA TYR A 3 -15.191 -14.737 -8.699 1.00 0.00 C ATOM 39 C TYR A 3 -15.867 -14.873 -7.341 1.00 0.00 C ATOM 40 O TYR A 3 -17.040 -15.241 -7.260 1.00 0.00 O ATOM 41 CB TYR A 3 -15.671 -13.453 -9.382 1.00 0.00 C ATOM 42 CG TYR A 3 -15.032 -13.333 -10.745 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.614 -13.979 -11.842 1.00 0.00 C ATOM 44 CD2 TYR A 3 -13.864 -12.577 -10.919 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.033 -13.873 -13.110 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.286 -12.472 -12.189 1.00 0.00 C ATOM 47 CZ TYR A 3 -13.869 -13.119 -13.283 1.00 0.00 C ATOM 48 OH TYR A 3 -13.296 -13.012 -14.534 1.00 0.00 O ATOM 0 HA TYR A 3 -14.110 -14.693 -8.563 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.757 -13.465 -9.478 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.414 -12.587 -8.772 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.514 -14.561 -11.709 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.412 -12.077 -10.075 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -15.483 -14.373 -13.955 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.387 -11.889 -12.325 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.494 -12.452 -14.480 1.00 0.00 H new ATOM 58 N THR A 4 -15.132 -14.576 -6.270 1.00 0.00 N ATOM 59 CA THR A 4 -15.688 -14.675 -4.919 1.00 0.00 C ATOM 60 C THR A 4 -15.146 -13.549 -4.035 1.00 0.00 C ATOM 61 O THR A 4 -14.043 -13.055 -4.272 1.00 0.00 O ATOM 62 CB THR A 4 -15.319 -16.025 -4.291 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.081 -15.904 -3.604 1.00 0.00 O ATOM 64 CG2 THR A 4 -15.194 -17.081 -5.386 1.00 0.00 C ATOM 0 H THR A 4 -14.160 -14.268 -6.309 1.00 0.00 H new ATOM 0 HA THR A 4 -16.772 -14.589 -4.991 1.00 0.00 H new ATOM 0 HB THR A 4 -16.097 -16.324 -3.588 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.923 -16.711 -3.071 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.932 -18.040 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.144 -17.174 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.417 -16.785 -6.090 1.00 0.00 H new ATOM 72 N PRO A 5 -15.872 -13.138 -3.018 1.00 0.00 N ATOM 73 CA PRO A 5 -15.400 -12.056 -2.107 1.00 0.00 C ATOM 74 C PRO A 5 -13.989 -12.312 -1.581 1.00 0.00 C ATOM 75 O PRO A 5 -13.173 -11.397 -1.523 1.00 0.00 O ATOM 76 CB PRO A 5 -16.414 -12.062 -0.947 1.00 0.00 C ATOM 77 CG PRO A 5 -17.650 -12.716 -1.486 1.00 0.00 C ATOM 78 CD PRO A 5 -17.209 -13.639 -2.633 1.00 0.00 C ATOM 0 HA PRO A 5 -15.346 -11.099 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.024 -12.611 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.625 -11.048 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -18.156 -13.285 -0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.357 -11.968 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.165 -14.679 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.906 -13.593 -3.470 1.00 0.00 H new ATOM 86 N ASP A 6 -13.711 -13.558 -1.190 1.00 0.00 N ATOM 87 CA ASP A 6 -12.392 -13.914 -0.657 1.00 0.00 C ATOM 88 C ASP A 6 -11.882 -15.222 -1.253 1.00 0.00 C ATOM 89 O ASP A 6 -12.240 -16.307 -0.797 1.00 0.00 O ATOM 90 CB ASP A 6 -12.468 -14.049 0.866 1.00 0.00 C ATOM 91 CG ASP A 6 -13.470 -15.135 1.246 1.00 0.00 C ATOM 92 OD1 ASP A 6 -14.165 -15.609 0.363 1.00 0.00 O ATOM 93 OD2 ASP A 6 -13.525 -15.477 2.416 1.00 0.00 O ATOM 0 H ASP A 6 -14.374 -14.332 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.697 -13.119 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.484 -14.294 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.765 -13.098 1.309 1.00 0.00 H new ATOM 98 N THR A 7 -11.023 -15.106 -2.263 1.00 0.00 N ATOM 99 CA THR A 7 -10.434 -16.282 -2.915 1.00 0.00 C ATOM 100 C THR A 7 -8.927 -16.111 -3.048 1.00 0.00 C ATOM 101 O THR A 7 -8.436 -15.008 -3.291 1.00 0.00 O ATOM 102 CB THR A 7 -11.045 -16.485 -4.304 1.00 0.00 C ATOM 103 OG1 THR A 7 -10.255 -17.409 -5.036 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.100 -15.148 -5.045 1.00 0.00 C ATOM 0 H THR A 7 -10.717 -14.213 -2.650 1.00 0.00 H new ATOM 0 HA THR A 7 -10.646 -17.156 -2.299 1.00 0.00 H new ATOM 0 HB THR A 7 -12.057 -16.876 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.591 -16.922 -5.568 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.535 -15.297 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.712 -14.444 -4.481 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.091 -14.748 -5.150 1.00 0.00 H new ATOM 112 N ALA A 8 -8.198 -17.211 -2.897 1.00 0.00 N ATOM 113 CA ALA A 8 -6.738 -17.175 -3.011 1.00 0.00 C ATOM 114 C ALA A 8 -6.334 -17.363 -4.465 1.00 0.00 C ATOM 115 O ALA A 8 -6.376 -18.475 -4.992 1.00 0.00 O ATOM 116 CB ALA A 8 -6.118 -18.283 -2.159 1.00 0.00 C ATOM 0 H ALA A 8 -8.586 -18.133 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.378 -16.209 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.032 -18.248 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.399 -18.140 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.480 -19.252 -2.503 1.00 0.00 H new ATOM 122 N TRP A 9 -5.965 -16.261 -5.122 1.00 0.00 N ATOM 123 CA TRP A 9 -5.581 -16.300 -6.538 1.00 0.00 C ATOM 124 C TRP A 9 -4.066 -16.219 -6.693 1.00 0.00 C ATOM 125 O TRP A 9 -3.406 -15.409 -6.044 1.00 0.00 O ATOM 126 CB TRP A 9 -6.229 -15.120 -7.284 1.00 0.00 C ATOM 127 CG TRP A 9 -7.667 -15.420 -7.588 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.505 -16.121 -6.793 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.446 -15.033 -8.756 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.744 -16.192 -7.397 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.758 -15.537 -8.608 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.143 -14.304 -9.918 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.736 -15.323 -9.576 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.125 -14.086 -10.895 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.420 -14.596 -10.725 1.00 0.00 C ATOM 0 H TRP A 9 -5.923 -15.333 -4.700 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.927 -17.243 -6.960 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.160 -14.216 -6.678 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.688 -14.926 -8.210 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.247 -16.556 -5.839 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.550 -16.671 -6.996 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.148 -13.909 -10.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.732 -15.717 -9.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -8.882 -13.522 -11.784 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.172 -14.427 -11.482 1.00 0.00 H new ATOM 146 N LYS A 10 -3.527 -17.059 -7.574 1.00 0.00 N ATOM 147 CA LYS A 10 -2.089 -17.074 -7.834 1.00 0.00 C ATOM 148 C LYS A 10 -1.765 -16.140 -8.994 1.00 0.00 C ATOM 149 O LYS A 10 -2.539 -16.035 -9.943 1.00 0.00 O ATOM 150 CB LYS A 10 -1.624 -18.502 -8.174 1.00 0.00 C ATOM 151 CG LYS A 10 -0.153 -18.687 -7.778 1.00 0.00 C ATOM 152 CD LYS A 10 0.252 -20.147 -7.979 1.00 0.00 C ATOM 153 CE LYS A 10 1.711 -20.328 -7.560 1.00 0.00 C ATOM 154 NZ LYS A 10 2.101 -21.756 -7.720 1.00 0.00 N ATOM 0 H LYS A 10 -4.062 -17.736 -8.118 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.567 -16.735 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.244 -19.229 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.748 -18.689 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.481 -18.037 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.007 -18.399 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.392 -20.800 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.123 -20.432 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.356 -19.694 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.844 -20.018 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.094 -21.879 -7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.493 -22.351 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.989 -22.037 -8.715 1.00 0.00 H new ATOM 168 N ILE A 11 -0.619 -15.470 -8.914 1.00 0.00 N ATOM 169 CA ILE A 11 -0.199 -14.549 -9.970 1.00 0.00 C ATOM 170 C ILE A 11 0.848 -15.232 -10.845 1.00 0.00 C ATOM 171 O ILE A 11 1.911 -15.616 -10.360 1.00 0.00 O ATOM 172 CB ILE A 11 0.410 -13.286 -9.347 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.555 -12.703 -8.314 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.648 -12.234 -10.437 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.169 -11.638 -7.487 1.00 0.00 C ATOM 0 H ILE A 11 0.034 -15.546 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.064 -14.273 -10.573 1.00 0.00 H new ATOM 0 HB ILE A 11 1.354 -13.550 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.419 -12.266 -8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.929 -13.493 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.081 -11.339 -9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.333 -12.634 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.300 -11.981 -10.912 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.517 -11.221 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.019 -12.090 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.521 -10.844 -8.145 1.00 0.00 H new ATOM 187 N THR A 12 0.545 -15.389 -12.136 1.00 0.00 N ATOM 188 CA THR A 12 1.480 -16.031 -13.067 1.00 0.00 C ATOM 189 C THR A 12 2.076 -15.002 -14.024 1.00 0.00 C ATOM 190 O THR A 12 3.117 -15.240 -14.636 1.00 0.00 O ATOM 191 CB THR A 12 0.753 -17.121 -13.865 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.519 -16.640 -14.264 1.00 0.00 O ATOM 193 CG2 THR A 12 0.574 -18.368 -12.997 1.00 0.00 C ATOM 0 H THR A 12 -0.332 -15.084 -12.559 1.00 0.00 H new ATOM 0 HA THR A 12 2.289 -16.481 -12.492 1.00 0.00 H new ATOM 0 HB THR A 12 1.343 -17.377 -14.745 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.508 -15.660 -14.281 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.057 -19.138 -13.569 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.551 -18.740 -12.688 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.014 -18.116 -12.114 1.00 0.00 H new ATOM 201 N GLY A 13 1.413 -13.853 -14.149 1.00 0.00 N ATOM 202 CA GLY A 13 1.892 -12.792 -15.034 1.00 0.00 C ATOM 203 C GLY A 13 0.728 -12.048 -15.679 1.00 0.00 C ATOM 204 O GLY A 13 -0.437 -12.335 -15.405 1.00 0.00 O ATOM 0 H GLY A 13 0.549 -13.634 -13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.506 -12.092 -14.468 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.528 -13.220 -15.809 1.00 0.00 H new ATOM 208 N PHE A 14 1.059 -11.092 -16.544 1.00 0.00 N ATOM 209 CA PHE A 14 0.050 -10.295 -17.243 1.00 0.00 C ATOM 210 C PHE A 14 -0.071 -10.746 -18.699 1.00 0.00 C ATOM 211 O PHE A 14 0.893 -11.230 -19.291 1.00 0.00 O ATOM 212 CB PHE A 14 0.440 -8.816 -17.186 1.00 0.00 C ATOM 213 CG PHE A 14 1.917 -8.670 -17.467 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.375 -8.562 -18.785 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.827 -8.631 -16.405 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.744 -8.418 -19.040 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.195 -8.485 -16.660 1.00 0.00 C ATOM 218 CZ PHE A 14 4.654 -8.378 -17.978 1.00 0.00 C ATOM 0 H PHE A 14 2.021 -10.849 -16.779 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.915 -10.436 -16.755 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.137 -8.249 -17.916 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.204 -8.405 -16.205 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.673 -8.590 -19.605 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.473 -8.714 -15.388 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.098 -8.338 -20.057 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.897 -8.455 -15.840 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.710 -8.265 -18.175 1.00 0.00 H new ATOM 228 N SER A 15 -1.266 -10.591 -19.266 1.00 0.00 N ATOM 229 CA SER A 15 -1.506 -10.994 -20.649 1.00 0.00 C ATOM 230 C SER A 15 -0.941 -9.967 -21.618 1.00 0.00 C ATOM 231 O SER A 15 -0.539 -8.878 -21.216 1.00 0.00 O ATOM 232 CB SER A 15 -3.005 -11.140 -20.902 1.00 0.00 C ATOM 233 OG SER A 15 -3.209 -11.846 -22.119 1.00 0.00 O ATOM 0 H SER A 15 -2.077 -10.192 -18.793 1.00 0.00 H new ATOM 0 HA SER A 15 -1.008 -11.950 -20.810 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.475 -11.673 -20.076 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.474 -10.158 -20.955 1.00 0.00 H new ATOM 0 HG SER A 15 -4.170 -11.943 -22.284 1.00 0.00 H new ATOM 239 N ARG A 16 -0.921 -10.322 -22.899 1.00 0.00 N ATOM 240 CA ARG A 16 -0.413 -9.421 -23.924 1.00 0.00 C ATOM 241 C ARG A 16 -1.380 -8.254 -24.124 1.00 0.00 C ATOM 242 O ARG A 16 -0.962 -7.110 -24.302 1.00 0.00 O ATOM 243 CB ARG A 16 -0.223 -10.187 -25.240 1.00 0.00 C ATOM 244 CG ARG A 16 -1.584 -10.610 -25.804 1.00 0.00 C ATOM 245 CD ARG A 16 -1.376 -11.508 -27.025 1.00 0.00 C ATOM 246 NE ARG A 16 -2.663 -11.864 -27.614 1.00 0.00 N ATOM 247 CZ ARG A 16 -2.740 -12.686 -28.655 1.00 0.00 C ATOM 248 NH1 ARG A 16 -1.654 -13.211 -29.153 1.00 0.00 N ATOM 249 NH2 ARG A 16 -3.902 -12.972 -29.176 1.00 0.00 N ATOM 0 H ARG A 16 -1.249 -11.222 -23.249 1.00 0.00 H new ATOM 0 HA ARG A 16 0.550 -9.023 -23.604 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.300 -9.560 -25.962 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.399 -11.066 -25.072 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.156 -11.141 -25.043 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.164 -9.730 -26.082 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.760 -10.994 -27.763 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.839 -12.411 -26.734 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.519 -11.475 -27.219 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.746 -12.990 -28.743 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.713 -13.842 -29.952 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.751 -12.564 -28.784 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.961 -13.603 -29.975 1.00 0.00 H new ATOM 263 N GLU A 17 -2.677 -8.557 -24.085 1.00 0.00 N ATOM 264 CA GLU A 17 -3.703 -7.536 -24.254 1.00 0.00 C ATOM 265 C GLU A 17 -3.699 -6.560 -23.086 1.00 0.00 C ATOM 266 O GLU A 17 -4.302 -5.488 -23.159 1.00 0.00 O ATOM 267 CB GLU A 17 -5.081 -8.193 -24.363 1.00 0.00 C ATOM 268 CG GLU A 17 -5.225 -8.864 -25.731 1.00 0.00 C ATOM 269 CD GLU A 17 -6.590 -9.531 -25.846 1.00 0.00 C ATOM 270 OE1 GLU A 17 -7.370 -9.404 -24.916 1.00 0.00 O ATOM 271 OE2 GLU A 17 -6.839 -10.158 -26.862 1.00 0.00 O ATOM 0 H GLU A 17 -3.039 -9.499 -23.938 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.485 -6.985 -25.169 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.207 -8.930 -23.570 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.863 -7.445 -24.230 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.106 -8.124 -26.522 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.437 -9.605 -25.866 1.00 0.00 H new ATOM 278 N ILE A 18 -3.029 -6.938 -22.006 1.00 0.00 N ATOM 279 CA ILE A 18 -2.963 -6.089 -20.821 1.00 0.00 C ATOM 280 C ILE A 18 -2.767 -4.624 -21.214 1.00 0.00 C ATOM 281 O ILE A 18 -2.151 -4.324 -22.236 1.00 0.00 O ATOM 282 CB ILE A 18 -1.800 -6.542 -19.938 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.806 -5.772 -18.610 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.485 -6.268 -20.668 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.066 -6.107 -17.798 1.00 0.00 C ATOM 0 H ILE A 18 -2.526 -7.821 -21.924 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.902 -6.178 -20.274 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.904 -7.607 -19.731 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.917 -6.025 -18.033 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.766 -4.700 -18.804 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.350 -6.588 -20.045 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.469 -6.819 -21.608 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.398 -5.201 -20.872 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.053 -5.552 -16.860 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.952 -5.831 -18.370 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.089 -7.176 -17.587 1.00 0.00 H new ATOM 297 N SER A 19 -3.294 -3.721 -20.396 1.00 0.00 N ATOM 298 CA SER A 19 -3.168 -2.294 -20.672 1.00 0.00 C ATOM 299 C SER A 19 -1.738 -1.826 -20.371 1.00 0.00 C ATOM 300 O SER A 19 -1.038 -2.438 -19.564 1.00 0.00 O ATOM 301 CB SER A 19 -4.185 -1.511 -19.823 1.00 0.00 C ATOM 302 OG SER A 19 -4.462 -2.245 -18.637 1.00 0.00 O ATOM 0 H SER A 19 -3.808 -3.947 -19.544 1.00 0.00 H new ATOM 0 HA SER A 19 -3.376 -2.109 -21.726 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.788 -0.527 -19.573 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.103 -1.350 -20.389 1.00 0.00 H new ATOM 0 HG SER A 19 -5.108 -1.751 -18.090 1.00 0.00 H new ATOM 308 N PRO A 20 -1.293 -0.769 -21.006 1.00 0.00 N ATOM 309 CA PRO A 20 0.087 -0.229 -20.801 1.00 0.00 C ATOM 310 C PRO A 20 0.307 0.281 -19.374 1.00 0.00 C ATOM 311 O PRO A 20 1.424 0.249 -18.859 1.00 0.00 O ATOM 312 CB PRO A 20 0.190 0.915 -21.831 1.00 0.00 C ATOM 313 CG PRO A 20 -1.225 1.312 -22.111 1.00 0.00 C ATOM 314 CD PRO A 20 -2.051 0.035 -21.982 1.00 0.00 C ATOM 0 HA PRO A 20 0.851 -0.995 -20.938 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.764 1.753 -21.435 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.694 0.584 -22.739 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.565 2.070 -21.405 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.320 1.740 -23.109 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.061 0.244 -21.631 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.146 -0.480 -22.938 1.00 0.00 H new ATOM 322 N ALA A 21 -0.763 0.758 -18.749 1.00 0.00 N ATOM 323 CA ALA A 21 -0.671 1.282 -17.389 1.00 0.00 C ATOM 324 C ALA A 21 -0.352 0.175 -16.383 1.00 0.00 C ATOM 325 O ALA A 21 0.586 0.289 -15.590 1.00 0.00 O ATOM 326 CB ALA A 21 -1.994 1.947 -17.008 1.00 0.00 C ATOM 0 H ALA A 21 -1.697 0.793 -19.157 1.00 0.00 H new ATOM 0 HA ALA A 21 0.139 2.011 -17.362 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.926 2.338 -15.993 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.203 2.764 -17.698 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.798 1.213 -17.061 1.00 0.00 H new ATOM 332 N TYR A 22 -1.140 -0.893 -16.422 1.00 0.00 N ATOM 333 CA TYR A 22 -0.948 -2.015 -15.511 1.00 0.00 C ATOM 334 C TYR A 22 0.408 -2.670 -15.748 1.00 0.00 C ATOM 335 O TYR A 22 1.162 -2.955 -14.811 1.00 0.00 O ATOM 336 CB TYR A 22 -2.060 -3.043 -15.730 1.00 0.00 C ATOM 337 CG TYR A 22 -1.905 -4.182 -14.754 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.012 -5.222 -15.031 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.659 -4.202 -13.574 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.871 -6.282 -14.129 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.519 -5.261 -12.671 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.624 -6.303 -12.949 1.00 0.00 C ATOM 343 OH TYR A 22 -1.486 -7.349 -12.059 1.00 0.00 O ATOM 0 H TYR A 22 -1.917 -1.006 -17.074 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.983 -1.646 -14.486 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.034 -2.571 -15.600 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.022 -3.420 -16.752 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.431 -5.207 -15.941 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.349 -3.399 -13.361 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.181 -7.085 -14.343 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.100 -5.276 -11.761 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.080 -7.207 -11.293 1.00 0.00 H new ATOM 353 N ARG A 23 0.716 -2.910 -17.012 1.00 0.00 N ATOM 354 CA ARG A 23 1.975 -3.538 -17.349 1.00 0.00 C ATOM 355 C ARG A 23 3.121 -2.690 -16.818 1.00 0.00 C ATOM 356 O ARG A 23 4.025 -3.190 -16.143 1.00 0.00 O ATOM 357 CB ARG A 23 2.091 -3.667 -18.865 1.00 0.00 C ATOM 358 CG ARG A 23 3.259 -4.589 -19.209 1.00 0.00 C ATOM 359 CD ARG A 23 3.504 -4.568 -20.719 1.00 0.00 C ATOM 360 NE ARG A 23 2.331 -5.053 -21.440 1.00 0.00 N ATOM 361 CZ ARG A 23 2.271 -4.981 -22.767 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.267 -4.471 -23.437 1.00 0.00 N ATOM 363 NH2 ARG A 23 1.217 -5.416 -23.401 1.00 0.00 N ATOM 0 H ARG A 23 0.120 -2.682 -17.808 1.00 0.00 H new ATOM 0 HA ARG A 23 2.020 -4.530 -16.899 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.165 -4.066 -19.279 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.244 -2.685 -19.314 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.157 -4.268 -18.681 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.042 -5.605 -18.880 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.740 -3.553 -21.040 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.367 -5.188 -20.961 1.00 0.00 H new ATOM 0 HE ARG A 23 1.549 -5.451 -20.921 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.091 -4.128 -22.943 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.222 -4.415 -24.454 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.436 -5.813 -22.879 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.174 -5.359 -24.419 1.00 0.00 H new ATOM 377 N GLN A 24 3.062 -1.392 -17.091 1.00 0.00 N ATOM 378 CA GLN A 24 4.097 -0.497 -16.613 1.00 0.00 C ATOM 379 C GLN A 24 4.148 -0.553 -15.093 1.00 0.00 C ATOM 380 O GLN A 24 5.207 -0.384 -14.492 1.00 0.00 O ATOM 381 CB GLN A 24 3.829 0.942 -17.058 1.00 0.00 C ATOM 382 CG GLN A 24 5.098 1.779 -16.857 1.00 0.00 C ATOM 383 CD GLN A 24 6.091 1.509 -17.984 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.760 1.681 -19.157 1.00 0.00 O ATOM 385 NE2 GLN A 24 7.297 1.102 -17.696 1.00 0.00 N ATOM 0 H GLN A 24 2.321 -0.946 -17.631 1.00 0.00 H new ATOM 0 HA GLN A 24 5.050 -0.816 -17.034 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.529 0.961 -18.106 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.005 1.365 -16.483 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.844 2.839 -16.833 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.553 1.538 -15.896 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.569 0.960 -16.723 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.968 0.926 -18.444 1.00 0.00 H new ATOM 394 N LYS A 25 2.993 -0.804 -14.473 1.00 0.00 N ATOM 395 CA LYS A 25 2.943 -0.892 -13.020 1.00 0.00 C ATOM 396 C LYS A 25 3.911 -1.972 -12.570 1.00 0.00 C ATOM 397 O LYS A 25 4.680 -1.776 -11.629 1.00 0.00 O ATOM 398 CB LYS A 25 1.520 -1.232 -12.543 1.00 0.00 C ATOM 399 CG LYS A 25 1.345 -0.800 -11.080 1.00 0.00 C ATOM 400 CD LYS A 25 -0.097 -1.061 -10.616 1.00 0.00 C ATOM 401 CE LYS A 25 -1.041 0.030 -11.140 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.375 -0.132 -10.496 1.00 0.00 N ATOM 0 H LYS A 25 2.100 -0.947 -14.945 1.00 0.00 H new ATOM 0 HA LYS A 25 3.222 0.069 -12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.786 -0.728 -13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.340 -2.303 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.043 -1.347 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.582 0.259 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.428 -2.037 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.135 -1.089 -9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.634 1.017 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.135 -0.042 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.990 0.662 -10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.805 -1.026 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.262 -0.145 -9.462 1.00 0.00 H new ATOM 416 N LEU A 26 3.891 -3.108 -13.268 1.00 0.00 N ATOM 417 CA LEU A 26 4.811 -4.191 -12.930 1.00 0.00 C ATOM 418 C LEU A 26 6.250 -3.717 -13.111 1.00 0.00 C ATOM 419 O LEU A 26 7.112 -3.992 -12.278 1.00 0.00 O ATOM 420 CB LEU A 26 4.553 -5.435 -13.809 1.00 0.00 C ATOM 421 CG LEU A 26 3.437 -6.313 -13.210 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.863 -6.872 -11.836 1.00 0.00 C ATOM 423 CD2 LEU A 26 2.150 -5.494 -13.070 1.00 0.00 C ATOM 0 H LEU A 26 3.265 -3.299 -14.050 1.00 0.00 H new ATOM 0 HA LEU A 26 4.645 -4.471 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.274 -5.122 -14.815 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.470 -6.017 -13.899 1.00 0.00 H new ATOM 0 HG LEU A 26 3.256 -7.153 -13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.062 -7.489 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.763 -7.476 -11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.066 -6.046 -11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.365 -6.120 -12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.330 -4.643 -12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.838 -5.136 -14.051 1.00 0.00 H new ATOM 435 N LEU A 27 6.505 -2.997 -14.199 1.00 0.00 N ATOM 436 CA LEU A 27 7.855 -2.486 -14.451 1.00 0.00 C ATOM 437 C LEU A 27 8.231 -1.415 -13.424 1.00 0.00 C ATOM 438 O LEU A 27 9.399 -1.274 -13.063 1.00 0.00 O ATOM 439 CB LEU A 27 7.963 -1.898 -15.868 1.00 0.00 C ATOM 440 CG LEU A 27 8.190 -3.014 -16.904 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.600 -3.615 -16.764 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.140 -4.108 -16.713 1.00 0.00 C ATOM 0 H LEU A 27 5.813 -2.756 -14.909 1.00 0.00 H new ATOM 0 HA LEU A 27 8.547 -3.324 -14.361 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.052 -1.350 -16.110 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.785 -1.184 -15.909 1.00 0.00 H new ATOM 0 HG LEU A 27 8.098 -2.586 -17.902 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.736 -4.401 -17.507 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.345 -2.835 -16.921 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.719 -4.035 -15.765 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.300 -4.898 -17.446 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.225 -4.522 -15.708 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.145 -3.685 -16.848 1.00 0.00 H new ATOM 454 N SER A 28 7.240 -0.642 -12.986 1.00 0.00 N ATOM 455 CA SER A 28 7.487 0.437 -12.031 1.00 0.00 C ATOM 456 C SER A 28 8.074 -0.089 -10.723 1.00 0.00 C ATOM 457 O SER A 28 9.014 0.493 -10.182 1.00 0.00 O ATOM 458 CB SER A 28 6.187 1.187 -11.738 1.00 0.00 C ATOM 459 OG SER A 28 6.453 2.258 -10.840 1.00 0.00 O ATOM 0 H SER A 28 6.266 -0.740 -13.274 1.00 0.00 H new ATOM 0 HA SER A 28 8.213 1.114 -12.482 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.759 1.572 -12.664 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.452 0.508 -11.305 1.00 0.00 H new ATOM 0 HG SER A 28 5.621 2.741 -10.652 1.00 0.00 H new ATOM 465 N LEU A 29 7.512 -1.186 -10.213 1.00 0.00 N ATOM 466 CA LEU A 29 7.984 -1.781 -8.955 1.00 0.00 C ATOM 467 C LEU A 29 8.502 -3.199 -9.192 1.00 0.00 C ATOM 468 O LEU A 29 8.332 -3.764 -10.271 1.00 0.00 O ATOM 469 CB LEU A 29 6.840 -1.808 -7.924 1.00 0.00 C ATOM 470 CG LEU A 29 5.499 -2.047 -8.628 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.553 -3.358 -9.423 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.389 -2.131 -7.576 1.00 0.00 C ATOM 0 H LEU A 29 6.733 -1.681 -10.647 1.00 0.00 H new ATOM 0 HA LEU A 29 8.801 -1.172 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.020 -2.595 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.810 -0.865 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 29 5.297 -1.224 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.597 -3.521 -9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.345 -3.299 -10.169 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.755 -4.187 -8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.432 -2.301 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.596 -2.955 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.347 -1.197 -7.016 1.00 0.00 H new ATOM 484 N GLY A 30 9.139 -3.766 -8.169 1.00 0.00 N ATOM 485 CA GLY A 30 9.681 -5.120 -8.262 1.00 0.00 C ATOM 486 C GLY A 30 8.650 -6.147 -7.804 1.00 0.00 C ATOM 487 O GLY A 30 8.940 -7.342 -7.734 1.00 0.00 O ATOM 0 H GLY A 30 9.292 -3.311 -7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.977 -5.329 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.579 -5.200 -7.649 1.00 0.00 H new ATOM 491 N MET A 31 7.447 -5.673 -7.493 1.00 0.00 N ATOM 492 CA MET A 31 6.382 -6.562 -7.043 1.00 0.00 C ATOM 493 C MET A 31 5.856 -7.370 -8.221 1.00 0.00 C ATOM 494 O MET A 31 4.766 -7.107 -8.732 1.00 0.00 O ATOM 495 CB MET A 31 5.242 -5.745 -6.430 1.00 0.00 C ATOM 496 CG MET A 31 5.777 -4.900 -5.271 1.00 0.00 C ATOM 497 SD MET A 31 6.387 -5.984 -3.955 1.00 0.00 S ATOM 498 CE MET A 31 4.864 -6.039 -2.980 1.00 0.00 C ATOM 0 H MET A 31 7.187 -4.688 -7.544 1.00 0.00 H new ATOM 0 HA MET A 31 6.781 -7.240 -6.288 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.796 -5.100 -7.187 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.455 -6.410 -6.075 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.579 -4.251 -5.622 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.989 -4.253 -4.886 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.017 -6.666 -2.102 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.598 -5.030 -2.664 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.059 -6.454 -3.586 1.00 0.00 H new ATOM 508 N LEU A 32 6.649 -8.346 -8.658 1.00 0.00 N ATOM 509 CA LEU A 32 6.278 -9.192 -9.794 1.00 0.00 C ATOM 510 C LEU A 32 5.619 -10.487 -9.295 1.00 0.00 C ATOM 511 O LEU A 32 5.619 -10.756 -8.094 1.00 0.00 O ATOM 512 CB LEU A 32 7.553 -9.483 -10.631 1.00 0.00 C ATOM 513 CG LEU A 32 7.475 -8.787 -12.005 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.712 -7.286 -11.836 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.542 -9.362 -12.932 1.00 0.00 C ATOM 0 H LEU A 32 7.553 -8.572 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 32 5.551 -8.682 -10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.435 -9.136 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.666 -10.558 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 32 6.488 -8.955 -12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.656 -6.797 -12.809 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.951 -6.869 -11.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.698 -7.120 -11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.485 -8.869 -13.902 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.528 -9.197 -12.498 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.376 -10.432 -13.058 1.00 0.00 H new ATOM 527 N PRO A 33 5.046 -11.283 -10.179 1.00 0.00 N ATOM 528 CA PRO A 33 4.365 -12.558 -9.788 1.00 0.00 C ATOM 529 C PRO A 33 5.225 -13.443 -8.887 1.00 0.00 C ATOM 530 O PRO A 33 6.235 -13.006 -8.336 1.00 0.00 O ATOM 531 CB PRO A 33 4.087 -13.255 -11.128 1.00 0.00 C ATOM 532 CG PRO A 33 4.025 -12.157 -12.136 1.00 0.00 C ATOM 533 CD PRO A 33 4.972 -11.061 -11.642 1.00 0.00 C ATOM 0 HA PRO A 33 3.466 -12.363 -9.203 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.874 -13.969 -11.371 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.151 -13.812 -11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.327 -12.516 -13.120 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.008 -11.776 -12.233 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.954 -11.142 -12.108 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.589 -10.068 -11.876 1.00 0.00 H new ATOM 541 N GLY A 34 4.806 -14.699 -8.746 1.00 0.00 N ATOM 542 CA GLY A 34 5.522 -15.661 -7.913 1.00 0.00 C ATOM 543 C GLY A 34 4.851 -15.792 -6.549 1.00 0.00 C ATOM 544 O GLY A 34 5.352 -16.483 -5.663 1.00 0.00 O ATOM 0 H GLY A 34 3.973 -15.074 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.546 -16.632 -8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.557 -15.342 -7.787 1.00 0.00 H new ATOM 548 N SER A 35 3.709 -15.123 -6.395 1.00 0.00 N ATOM 549 CA SER A 35 2.954 -15.160 -5.140 1.00 0.00 C ATOM 550 C SER A 35 1.456 -15.160 -5.424 1.00 0.00 C ATOM 551 O SER A 35 1.034 -15.270 -6.575 1.00 0.00 O ATOM 552 CB SER A 35 3.311 -13.950 -4.276 1.00 0.00 C ATOM 553 OG SER A 35 2.774 -12.774 -4.868 1.00 0.00 O ATOM 0 H SER A 35 3.285 -14.548 -7.123 1.00 0.00 H new ATOM 0 HA SER A 35 3.215 -16.073 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.914 -14.078 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.393 -13.862 -4.183 1.00 0.00 H new ATOM 0 HG SER A 35 3.000 -11.997 -4.315 1.00 0.00 H new ATOM 559 N SER A 36 0.652 -15.045 -4.367 1.00 0.00 N ATOM 560 CA SER A 36 -0.807 -15.039 -4.505 1.00 0.00 C ATOM 561 C SER A 36 -1.415 -13.861 -3.755 1.00 0.00 C ATOM 562 O SER A 36 -0.819 -13.337 -2.815 1.00 0.00 O ATOM 563 CB SER A 36 -1.384 -16.346 -3.959 1.00 0.00 C ATOM 564 OG SER A 36 -0.969 -17.425 -4.785 1.00 0.00 O ATOM 0 H SER A 36 0.984 -14.955 -3.407 1.00 0.00 H new ATOM 0 HA SER A 36 -1.053 -14.943 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.046 -16.506 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.472 -16.292 -3.931 1.00 0.00 H new ATOM 0 HG SER A 36 -0.453 -18.065 -4.252 1.00 0.00 H new ATOM 570 N PHE A 37 -2.612 -13.449 -4.179 1.00 0.00 N ATOM 571 CA PHE A 37 -3.305 -12.326 -3.544 1.00 0.00 C ATOM 572 C PHE A 37 -4.729 -12.733 -3.175 1.00 0.00 C ATOM 573 O PHE A 37 -5.311 -13.627 -3.795 1.00 0.00 O ATOM 574 CB PHE A 37 -3.341 -11.123 -4.495 1.00 0.00 C ATOM 575 CG PHE A 37 -4.255 -11.406 -5.665 1.00 0.00 C ATOM 576 CD1 PHE A 37 -5.622 -11.128 -5.557 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.743 -11.942 -6.854 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.478 -11.384 -6.634 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.598 -12.198 -7.933 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.966 -11.918 -7.822 1.00 0.00 C ATOM 0 H PHE A 37 -3.119 -13.874 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.766 -12.048 -2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.687 -10.238 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.335 -10.905 -4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.017 -10.715 -4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.688 -12.158 -6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.533 -11.170 -6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.203 -12.611 -8.850 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.626 -12.114 -8.654 1.00 0.00 H new ATOM 590 N ASN A 38 -5.280 -12.073 -2.154 1.00 0.00 N ATOM 591 CA ASN A 38 -6.638 -12.370 -1.693 1.00 0.00 C ATOM 592 C ASN A 38 -7.592 -11.236 -2.061 1.00 0.00 C ATOM 593 O ASN A 38 -7.208 -10.059 -2.094 1.00 0.00 O ATOM 594 CB ASN A 38 -6.642 -12.569 -0.176 1.00 0.00 C ATOM 595 CG ASN A 38 -8.006 -13.083 0.276 1.00 0.00 C ATOM 596 OD1 ASN A 38 -8.919 -13.220 -0.537 1.00 0.00 O ATOM 597 ND2 ASN A 38 -8.197 -13.378 1.532 1.00 0.00 N ATOM 0 H ASN A 38 -4.810 -11.333 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.974 -13.284 -2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.864 -13.277 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.414 -11.627 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.105 -13.723 1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.438 -13.263 2.204 1.00 0.00 H new ATOM 604 N VAL A 39 -8.841 -11.600 -2.338 1.00 0.00 N ATOM 605 CA VAL A 39 -9.849 -10.614 -2.705 1.00 0.00 C ATOM 606 C VAL A 39 -10.563 -10.089 -1.466 1.00 0.00 C ATOM 607 O VAL A 39 -11.087 -10.862 -0.666 1.00 0.00 O ATOM 608 CB VAL A 39 -10.874 -11.242 -3.654 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.811 -10.159 -4.199 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.143 -11.912 -4.820 1.00 0.00 C ATOM 0 H VAL A 39 -9.176 -12.563 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.350 -9.783 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.459 -11.984 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.538 -10.612 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.334 -9.680 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.229 -9.413 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.871 -12.360 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.557 -11.167 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.480 -12.687 -4.436 1.00 0.00 H new ATOM 620 N VAL A 40 -10.585 -8.771 -1.316 1.00 0.00 N ATOM 621 CA VAL A 40 -11.253 -8.160 -0.178 1.00 0.00 C ATOM 622 C VAL A 40 -12.769 -8.266 -0.321 1.00 0.00 C ATOM 623 O VAL A 40 -13.469 -8.542 0.652 1.00 0.00 O ATOM 624 CB VAL A 40 -10.817 -6.691 -0.034 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.799 -6.012 -1.404 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.776 -5.940 0.901 1.00 0.00 C ATOM 0 H VAL A 40 -10.152 -8.111 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.964 -8.697 0.726 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.814 -6.667 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.489 -4.973 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.098 -6.531 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.797 -6.048 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.456 -4.902 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.785 -5.973 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.769 -6.411 1.884 1.00 0.00 H new ATOM 636 N ARG A 41 -13.270 -8.034 -1.533 1.00 0.00 N ATOM 637 CA ARG A 41 -14.708 -8.094 -1.765 1.00 0.00 C ATOM 638 C ARG A 41 -15.039 -7.958 -3.247 1.00 0.00 C ATOM 639 O ARG A 41 -14.279 -7.361 -4.009 1.00 0.00 O ATOM 640 CB ARG A 41 -15.386 -6.961 -0.994 1.00 0.00 C ATOM 641 CG ARG A 41 -14.951 -5.612 -1.577 1.00 0.00 C ATOM 642 CD ARG A 41 -15.475 -4.485 -0.687 1.00 0.00 C ATOM 643 NE ARG A 41 -15.071 -3.188 -1.225 1.00 0.00 N ATOM 644 CZ ARG A 41 -15.810 -2.552 -2.131 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.922 -3.084 -2.559 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.419 -1.396 -2.594 1.00 0.00 N ATOM 0 H ARG A 41 -12.711 -7.807 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.070 -9.063 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.469 -7.063 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.120 -7.015 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.864 -5.564 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.336 -5.500 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.562 -4.538 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.090 -4.603 0.326 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.204 -2.761 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.226 -3.989 -2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.487 -2.595 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.548 -0.981 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.984 -0.907 -3.288 1.00 0.00 H new ATOM 660 N VAL A 42 -16.194 -8.494 -3.643 1.00 0.00 N ATOM 661 CA VAL A 42 -16.641 -8.404 -5.037 1.00 0.00 C ATOM 662 C VAL A 42 -18.137 -8.129 -5.095 1.00 0.00 C ATOM 663 O VAL A 42 -18.937 -8.893 -4.559 1.00 0.00 O ATOM 664 CB VAL A 42 -16.325 -9.705 -5.776 1.00 0.00 C ATOM 665 CG1 VAL A 42 -14.832 -10.002 -5.642 1.00 0.00 C ATOM 666 CG2 VAL A 42 -17.143 -10.860 -5.177 1.00 0.00 C ATOM 0 H VAL A 42 -16.834 -8.992 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.111 -7.582 -5.519 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.586 -9.601 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.597 -10.928 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.258 -9.184 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.575 -10.106 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.912 -11.783 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.891 -10.976 -4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.206 -10.641 -5.274 1.00 0.00 H new ATOM 676 N ALA A 43 -18.507 -7.031 -5.753 1.00 0.00 N ATOM 677 CA ALA A 43 -19.915 -6.657 -5.890 1.00 0.00 C ATOM 678 C ALA A 43 -20.487 -7.163 -7.230 1.00 0.00 C ATOM 679 O ALA A 43 -20.133 -6.625 -8.279 1.00 0.00 O ATOM 680 CB ALA A 43 -20.032 -5.130 -5.841 1.00 0.00 C ATOM 0 H ALA A 43 -17.854 -6.386 -6.198 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.480 -7.110 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.078 -4.842 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.646 -4.766 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.455 -4.695 -6.657 1.00 0.00 H new ATOM 686 N PRO A 44 -21.372 -8.145 -7.243 1.00 0.00 N ATOM 687 CA PRO A 44 -21.982 -8.643 -8.520 1.00 0.00 C ATOM 688 C PRO A 44 -22.778 -7.546 -9.239 1.00 0.00 C ATOM 689 O PRO A 44 -23.140 -7.692 -10.405 1.00 0.00 O ATOM 690 CB PRO A 44 -22.912 -9.790 -8.076 1.00 0.00 C ATOM 691 CG PRO A 44 -22.428 -10.185 -6.719 1.00 0.00 C ATOM 692 CD PRO A 44 -21.881 -8.909 -6.085 1.00 0.00 C ATOM 0 HA PRO A 44 -21.222 -8.965 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.952 -9.464 -8.044 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.863 -10.628 -8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.238 -10.602 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -21.655 -10.950 -6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.657 -8.361 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.090 -9.124 -5.366 1.00 0.00 H new ATOM 700 N LEU A 45 -23.064 -6.464 -8.519 1.00 0.00 N ATOM 701 CA LEU A 45 -23.838 -5.352 -9.071 1.00 0.00 C ATOM 702 C LEU A 45 -23.236 -4.832 -10.376 1.00 0.00 C ATOM 703 O LEU A 45 -23.745 -3.875 -10.959 1.00 0.00 O ATOM 704 CB LEU A 45 -23.902 -4.210 -8.054 1.00 0.00 C ATOM 705 CG LEU A 45 -24.484 -4.718 -6.728 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.480 -3.575 -5.706 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.925 -5.217 -6.940 1.00 0.00 C ATOM 0 H LEU A 45 -22.772 -6.332 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.840 -5.723 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.905 -3.802 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.518 -3.399 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.876 -5.544 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.893 -3.930 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.458 -3.231 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.087 -2.750 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.329 -5.575 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.542 -4.399 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.925 -6.030 -7.666 1.00 0.00 H new ATOM 719 N GLY A 46 -22.160 -5.461 -10.837 1.00 0.00 N ATOM 720 CA GLY A 46 -21.515 -5.044 -12.082 1.00 0.00 C ATOM 721 C GLY A 46 -20.440 -3.999 -11.822 1.00 0.00 C ATOM 722 O GLY A 46 -20.112 -3.196 -12.697 1.00 0.00 O ATOM 0 H GLY A 46 -21.717 -6.255 -10.374 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.072 -5.911 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.263 -4.639 -12.764 1.00 0.00 H new ATOM 726 N ASP A 47 -19.885 -4.022 -10.615 1.00 0.00 N ATOM 727 CA ASP A 47 -18.833 -3.083 -10.231 1.00 0.00 C ATOM 728 C ASP A 47 -17.475 -3.757 -10.415 1.00 0.00 C ATOM 729 O ASP A 47 -17.394 -4.982 -10.506 1.00 0.00 O ATOM 730 CB ASP A 47 -19.044 -2.669 -8.753 1.00 0.00 C ATOM 731 CG ASP A 47 -19.640 -1.264 -8.658 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.787 -1.102 -9.040 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.940 -0.373 -8.204 1.00 0.00 O ATOM 0 H ASP A 47 -20.146 -4.682 -9.883 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.869 -2.190 -10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.706 -3.383 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.092 -2.701 -8.223 1.00 0.00 H new ATOM 738 N PRO A 48 -16.418 -2.993 -10.468 1.00 0.00 N ATOM 739 CA PRO A 48 -15.047 -3.547 -10.644 1.00 0.00 C ATOM 740 C PRO A 48 -14.699 -4.534 -9.534 1.00 0.00 C ATOM 741 O PRO A 48 -15.433 -4.670 -8.554 1.00 0.00 O ATOM 742 CB PRO A 48 -14.128 -2.310 -10.613 1.00 0.00 C ATOM 743 CG PRO A 48 -14.954 -1.219 -9.995 1.00 0.00 C ATOM 744 CD PRO A 48 -16.402 -1.525 -10.373 1.00 0.00 C ATOM 0 HA PRO A 48 -14.944 -4.112 -11.571 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.229 -2.502 -10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.802 -2.036 -11.617 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.829 -1.200 -8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.651 -0.241 -10.368 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.101 -1.162 -9.619 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.680 -1.057 -11.317 1.00 0.00 H new ATOM 752 N ILE A 49 -13.581 -5.230 -9.705 1.00 0.00 N ATOM 753 CA ILE A 49 -13.140 -6.219 -8.729 1.00 0.00 C ATOM 754 C ILE A 49 -12.114 -5.591 -7.792 1.00 0.00 C ATOM 755 O ILE A 49 -11.028 -5.202 -8.221 1.00 0.00 O ATOM 756 CB ILE A 49 -12.500 -7.408 -9.471 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.291 -7.685 -10.758 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.507 -8.658 -8.583 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.766 -7.955 -10.438 1.00 0.00 C ATOM 0 H ILE A 49 -12.964 -5.128 -10.510 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.994 -6.565 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.467 -7.161 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.210 -6.832 -11.432 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.863 -8.543 -11.277 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.052 -9.489 -9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.940 -8.461 -7.673 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.534 -8.914 -8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.309 -8.149 -11.363 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.843 -8.823 -9.783 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.195 -7.085 -9.940 1.00 0.00 H new ATOM 771 N HIS A 50 -12.460 -5.498 -6.510 1.00 0.00 N ATOM 772 CA HIS A 50 -11.549 -4.918 -5.526 1.00 0.00 C ATOM 773 C HIS A 50 -10.737 -6.013 -4.870 1.00 0.00 C ATOM 774 O HIS A 50 -11.292 -6.917 -4.247 1.00 0.00 O ATOM 775 CB HIS A 50 -12.319 -4.158 -4.446 1.00 0.00 C ATOM 776 CG HIS A 50 -13.003 -2.963 -5.059 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.268 -1.814 -4.330 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.466 -2.714 -6.330 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.860 -0.935 -5.158 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.006 -1.432 -6.388 1.00 0.00 N ATOM 0 H HIS A 50 -13.353 -5.813 -6.131 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.890 -4.223 -6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.056 -4.813 -3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.638 -3.836 -3.658 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -13.053 -1.663 -3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.418 -3.407 -7.157 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.179 0.054 -4.863 1.00 0.00 H new ATOM 788 N ILE A 51 -9.416 -5.924 -5.004 1.00 0.00 N ATOM 789 CA ILE A 51 -8.523 -6.912 -4.408 1.00 0.00 C ATOM 790 C ILE A 51 -7.606 -6.238 -3.411 1.00 0.00 C ATOM 791 O ILE A 51 -7.253 -5.067 -3.569 1.00 0.00 O ATOM 792 CB ILE A 51 -7.697 -7.621 -5.492 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.833 -6.609 -6.260 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.642 -8.313 -6.475 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.855 -7.363 -7.163 1.00 0.00 C ATOM 0 H ILE A 51 -8.943 -5.181 -5.518 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.125 -7.660 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.047 -8.353 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.466 -5.953 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.287 -5.976 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.059 -8.817 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.249 -9.045 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.292 -7.571 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.240 -6.648 -7.710 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.215 -8.001 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.412 -7.978 -7.870 1.00 0.00 H new ATOM 807 N GLU A 52 -7.227 -6.976 -2.373 1.00 0.00 N ATOM 808 CA GLU A 52 -6.353 -6.426 -1.344 1.00 0.00 C ATOM 809 C GLU A 52 -5.247 -7.411 -1.020 1.00 0.00 C ATOM 810 O GLU A 52 -5.508 -8.583 -0.748 1.00 0.00 O ATOM 811 CB GLU A 52 -7.173 -6.127 -0.092 1.00 0.00 C ATOM 812 CG GLU A 52 -6.295 -5.441 0.949 1.00 0.00 C ATOM 813 CD GLU A 52 -7.122 -5.106 2.184 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.337 -5.147 2.088 1.00 0.00 O ATOM 815 OE2 GLU A 52 -6.528 -4.813 3.209 1.00 0.00 O ATOM 0 H GLU A 52 -7.507 -7.945 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.901 -5.504 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.020 -5.489 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.581 -7.052 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.464 -6.091 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.864 -4.531 0.531 1.00 0.00 H new ATOM 822 N THR A 53 -4.006 -6.929 -1.049 1.00 0.00 N ATOM 823 CA THR A 53 -2.856 -7.775 -0.754 1.00 0.00 C ATOM 824 C THR A 53 -2.130 -7.235 0.464 1.00 0.00 C ATOM 825 O THR A 53 -1.943 -6.026 0.604 1.00 0.00 O ATOM 826 CB THR A 53 -1.907 -7.800 -1.961 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.976 -6.734 -1.845 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.708 -7.633 -3.264 1.00 0.00 C ATOM 0 H THR A 53 -3.774 -5.961 -1.273 1.00 0.00 H new ATOM 0 HA THR A 53 -3.196 -8.790 -0.549 1.00 0.00 H new ATOM 0 HB THR A 53 -1.381 -8.754 -1.984 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.367 -6.747 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.027 -7.652 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.427 -8.447 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.239 -6.681 -3.245 1.00 0.00 H new ATOM 836 N ARG A 54 -1.727 -8.141 1.345 1.00 0.00 N ATOM 837 CA ARG A 54 -1.029 -7.755 2.564 1.00 0.00 C ATOM 838 C ARG A 54 -0.018 -6.654 2.267 1.00 0.00 C ATOM 839 O ARG A 54 0.197 -5.757 3.083 1.00 0.00 O ATOM 840 CB ARG A 54 -0.308 -8.968 3.164 1.00 0.00 C ATOM 841 CG ARG A 54 -1.273 -10.158 3.299 1.00 0.00 C ATOM 842 CD ARG A 54 -2.362 -9.844 4.332 1.00 0.00 C ATOM 843 NE ARG A 54 -3.093 -11.060 4.684 1.00 0.00 N ATOM 844 CZ ARG A 54 -4.365 -11.018 5.083 1.00 0.00 C ATOM 845 NH1 ARG A 54 -4.989 -9.873 5.167 1.00 0.00 N ATOM 846 NH2 ARG A 54 -4.987 -12.121 5.397 1.00 0.00 N ATOM 0 H ARG A 54 -1.871 -9.145 1.239 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.761 -7.382 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.535 -9.246 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.098 -8.709 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.730 -10.376 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.723 -11.049 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.912 -9.411 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.051 -9.101 3.930 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.619 -11.961 4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.503 -9.009 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.962 -9.844 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.501 -13.016 5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.960 -12.089 5.702 1.00 0.00 H new ATOM 860 N ARG A 55 0.599 -6.732 1.096 1.00 0.00 N ATOM 861 CA ARG A 55 1.587 -5.738 0.701 1.00 0.00 C ATOM 862 C ARG A 55 0.923 -4.390 0.416 1.00 0.00 C ATOM 863 O ARG A 55 1.388 -3.355 0.892 1.00 0.00 O ATOM 864 CB ARG A 55 2.320 -6.207 -0.562 1.00 0.00 C ATOM 865 CG ARG A 55 2.839 -7.644 -0.390 1.00 0.00 C ATOM 866 CD ARG A 55 3.985 -7.690 0.624 1.00 0.00 C ATOM 867 NE ARG A 55 4.598 -9.018 0.621 1.00 0.00 N ATOM 868 CZ ARG A 55 4.166 -9.989 1.424 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.153 -9.780 2.221 1.00 0.00 N ATOM 870 NH2 ARG A 55 4.750 -11.155 1.405 1.00 0.00 N ATOM 0 H ARG A 55 0.435 -7.467 0.408 1.00 0.00 H new ATOM 0 HA ARG A 55 2.293 -5.619 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.647 -6.159 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.154 -5.537 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.027 -8.291 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.181 -8.029 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.731 -6.935 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.611 -7.455 1.620 1.00 0.00 H new ATOM 0 HE ARG A 55 5.376 -9.205 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.690 -8.871 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.825 -10.526 2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.536 -11.322 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.421 -11.900 2.019 1.00 0.00 H new ATOM 884 N VAL A 56 -0.164 -4.409 -0.361 1.00 0.00 N ATOM 885 CA VAL A 56 -0.877 -3.175 -0.712 1.00 0.00 C ATOM 886 C VAL A 56 -2.298 -3.477 -1.179 1.00 0.00 C ATOM 887 O VAL A 56 -2.744 -4.624 -1.152 1.00 0.00 O ATOM 888 CB VAL A 56 -0.144 -2.434 -1.838 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.181 -1.863 -1.329 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.127 -3.403 -2.990 1.00 0.00 C ATOM 0 H VAL A 56 -0.568 -5.258 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.913 -2.554 0.183 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.770 -1.612 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.688 -1.341 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.988 -1.166 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.813 -2.675 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.648 -2.879 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.745 -4.228 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.818 -3.794 -3.366 1.00 0.00 H new ATOM 900 N SER A 57 -3.002 -2.427 -1.617 1.00 0.00 N ATOM 901 CA SER A 57 -4.378 -2.565 -2.106 1.00 0.00 C ATOM 902 C SER A 57 -4.463 -2.184 -3.583 1.00 0.00 C ATOM 903 O SER A 57 -3.792 -1.256 -4.035 1.00 0.00 O ATOM 904 CB SER A 57 -5.314 -1.668 -1.296 1.00 0.00 C ATOM 905 OG SER A 57 -6.641 -1.819 -1.781 1.00 0.00 O ATOM 0 H SER A 57 -2.642 -1.473 -1.643 1.00 0.00 H new ATOM 0 HA SER A 57 -4.680 -3.606 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.268 -1.933 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.000 -0.627 -1.377 1.00 0.00 H new ATOM 0 HG SER A 57 -7.245 -1.247 -1.264 1.00 0.00 H new ATOM 911 N LEU A 58 -5.289 -2.913 -4.332 1.00 0.00 N ATOM 912 CA LEU A 58 -5.455 -2.653 -5.762 1.00 0.00 C ATOM 913 C LEU A 58 -6.858 -3.047 -6.218 1.00 0.00 C ATOM 914 O LEU A 58 -7.460 -3.969 -5.670 1.00 0.00 O ATOM 915 CB LEU A 58 -4.411 -3.456 -6.552 1.00 0.00 C ATOM 916 CG LEU A 58 -4.549 -3.200 -8.063 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.291 -1.716 -8.380 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.528 -4.067 -8.809 1.00 0.00 C ATOM 0 H LEU A 58 -5.852 -3.685 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.315 -1.588 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.409 -3.181 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.533 -4.520 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.560 -3.454 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.392 -1.550 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.015 -1.099 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.283 -1.446 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.617 -3.893 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.521 -3.807 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.718 -5.119 -8.595 1.00 0.00 H new ATOM 930 N VAL A 59 -7.367 -2.353 -7.238 1.00 0.00 N ATOM 931 CA VAL A 59 -8.695 -2.651 -7.786 1.00 0.00 C ATOM 932 C VAL A 59 -8.591 -2.891 -9.285 1.00 0.00 C ATOM 933 O VAL A 59 -7.980 -2.106 -10.010 1.00 0.00 O ATOM 934 CB VAL A 59 -9.668 -1.501 -7.517 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.138 -0.214 -8.153 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.035 -1.844 -8.126 1.00 0.00 C ATOM 0 H VAL A 59 -6.883 -1.583 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.075 -3.547 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.768 -1.355 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.835 0.602 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.165 0.030 -7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.036 -0.355 -9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.732 -1.028 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.928 -1.989 -9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.416 -2.759 -7.673 1.00 0.00 H new ATOM 946 N LEU A 60 -9.182 -3.993 -9.741 1.00 0.00 N ATOM 947 CA LEU A 60 -9.148 -4.356 -11.158 1.00 0.00 C ATOM 948 C LEU A 60 -10.542 -4.736 -11.649 1.00 0.00 C ATOM 949 O LEU A 60 -11.400 -5.136 -10.864 1.00 0.00 O ATOM 950 CB LEU A 60 -8.191 -5.534 -11.359 1.00 0.00 C ATOM 951 CG LEU A 60 -6.763 -5.126 -10.972 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.862 -6.364 -11.011 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.225 -4.061 -11.951 1.00 0.00 C ATOM 0 H LEU A 60 -9.691 -4.651 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.801 -3.497 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.512 -6.381 -10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.215 -5.859 -12.399 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.770 -4.703 -9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.845 -6.083 -10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.235 -7.108 -10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.864 -6.784 -12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.211 -3.782 -11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.216 -4.468 -12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.867 -3.181 -11.919 1.00 0.00 H new ATOM 965 N ARG A 61 -10.760 -4.602 -12.952 1.00 0.00 N ATOM 966 CA ARG A 61 -12.051 -4.931 -13.547 1.00 0.00 C ATOM 967 C ARG A 61 -12.139 -6.420 -13.863 1.00 0.00 C ATOM 968 O ARG A 61 -11.139 -7.135 -13.816 1.00 0.00 O ATOM 969 CB ARG A 61 -12.257 -4.123 -14.820 1.00 0.00 C ATOM 970 CG ARG A 61 -12.480 -2.659 -14.446 1.00 0.00 C ATOM 971 CD ARG A 61 -12.627 -1.840 -15.716 1.00 0.00 C ATOM 972 NE ARG A 61 -12.849 -0.435 -15.391 1.00 0.00 N ATOM 973 CZ ARG A 61 -11.829 0.390 -15.165 1.00 0.00 C ATOM 974 NH1 ARG A 61 -10.605 -0.060 -15.214 1.00 0.00 N ATOM 975 NH2 ARG A 61 -12.052 1.646 -14.892 1.00 0.00 N ATOM 0 H ARG A 61 -10.061 -4.269 -13.616 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.832 -4.682 -12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.388 -4.218 -15.471 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.114 -4.505 -15.375 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.373 -2.560 -13.829 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.642 -2.290 -13.855 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.731 -1.941 -16.328 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.461 -2.220 -16.307 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.803 -0.078 -15.336 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.431 -1.043 -15.425 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.822 0.571 -15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.009 1.997 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.270 2.277 -14.719 1.00 0.00 H new ATOM 989 N LYS A 62 -13.341 -6.882 -14.182 1.00 0.00 N ATOM 990 CA LYS A 62 -13.547 -8.289 -14.503 1.00 0.00 C ATOM 991 C LYS A 62 -12.688 -8.697 -15.696 1.00 0.00 C ATOM 992 O LYS A 62 -12.074 -9.765 -15.698 1.00 0.00 O ATOM 993 CB LYS A 62 -15.021 -8.530 -14.828 1.00 0.00 C ATOM 994 CG LYS A 62 -15.250 -10.017 -15.092 1.00 0.00 C ATOM 995 CD LYS A 62 -16.731 -10.264 -15.365 1.00 0.00 C ATOM 996 CE LYS A 62 -16.942 -11.753 -15.611 1.00 0.00 C ATOM 997 NZ LYS A 62 -18.384 -12.020 -15.876 1.00 0.00 N ATOM 0 H LYS A 62 -14.183 -6.308 -14.225 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.258 -8.890 -13.641 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.646 -8.197 -13.999 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.312 -7.946 -15.701 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.653 -10.342 -15.944 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.925 -10.604 -14.233 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.332 -9.932 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.056 -9.688 -16.231 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.340 -12.080 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.610 -12.325 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.524 -13.037 -16.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.949 -11.723 -15.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -18.687 -11.486 -16.715 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.656 -7.843 -16.708 1.00 0.00 N ATOM 1012 CA LYS A 63 -11.880 -8.119 -17.911 1.00 0.00 C ATOM 1013 C LYS A 63 -10.403 -8.302 -17.571 1.00 0.00 C ATOM 1014 O LYS A 63 -9.731 -9.161 -18.142 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.026 -6.968 -18.906 1.00 0.00 C ATOM 1016 CG LYS A 63 -13.468 -6.907 -19.417 1.00 0.00 C ATOM 1017 CD LYS A 63 -13.577 -5.882 -20.553 1.00 0.00 C ATOM 1018 CE LYS A 63 -13.379 -4.464 -20.009 1.00 0.00 C ATOM 1019 NZ LYS A 63 -13.848 -3.476 -21.023 1.00 0.00 N ATOM 0 H LYS A 63 -13.157 -6.954 -16.722 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.260 -9.039 -18.355 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.759 -6.025 -18.428 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.340 -7.107 -19.741 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.779 -7.890 -19.771 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.140 -6.634 -18.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.828 -6.094 -21.316 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.553 -5.962 -21.032 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.933 -4.338 -19.079 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.327 -4.294 -19.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.715 -2.512 -20.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.300 -3.592 -21.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.857 -3.634 -21.221 1.00 0.00 H new ATOM 1033 N ASP A 64 -9.899 -7.492 -16.646 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.498 -7.586 -16.256 1.00 0.00 C ATOM 1035 C ASP A 64 -8.192 -8.973 -15.696 1.00 0.00 C ATOM 1036 O ASP A 64 -7.196 -9.592 -16.062 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.187 -6.525 -15.200 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.151 -5.140 -15.841 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.087 -5.071 -17.056 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.189 -4.168 -15.103 1.00 0.00 O ATOM 0 H ASP A 64 -10.432 -6.772 -16.158 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.877 -7.419 -17.136 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.942 -6.551 -14.414 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.228 -6.741 -14.728 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.062 -9.464 -14.821 1.00 0.00 N ATOM 1046 CA LEU A 65 -8.875 -10.790 -14.238 1.00 0.00 C ATOM 1047 C LEU A 65 -8.945 -11.859 -15.328 1.00 0.00 C ATOM 1048 O LEU A 65 -8.173 -12.817 -15.323 1.00 0.00 O ATOM 1049 CB LEU A 65 -9.953 -11.053 -13.168 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.490 -10.531 -11.803 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.285 -9.016 -11.863 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.541 -10.859 -10.759 1.00 0.00 C ATOM 0 H LEU A 65 -9.896 -8.971 -14.501 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.893 -10.833 -13.767 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.885 -10.565 -13.454 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.159 -12.122 -13.105 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.546 -11.007 -11.538 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.956 -8.654 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.529 -8.781 -12.612 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.224 -8.532 -12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.216 -10.489 -9.787 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.484 -10.385 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.679 -11.939 -10.709 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.881 -11.689 -16.254 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.046 -12.649 -17.339 1.00 0.00 C ATOM 1066 C ALA A 66 -8.786 -12.710 -18.193 1.00 0.00 C ATOM 1067 O ALA A 66 -8.377 -13.784 -18.635 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.237 -12.250 -18.213 1.00 0.00 C ATOM 0 H ALA A 66 -10.532 -10.904 -16.276 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.227 -13.632 -16.905 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.353 -12.972 -19.021 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.143 -12.234 -17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.064 -11.259 -18.634 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.174 -11.552 -18.422 1.00 0.00 N ATOM 1075 CA LEU A 67 -6.959 -11.488 -19.229 1.00 0.00 C ATOM 1076 C LEU A 67 -5.734 -11.842 -18.393 1.00 0.00 C ATOM 1077 O LEU A 67 -4.977 -12.747 -18.741 1.00 0.00 O ATOM 1078 CB LEU A 67 -6.785 -10.078 -19.798 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.914 -9.762 -20.787 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.817 -8.287 -21.193 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.800 -10.653 -22.042 1.00 0.00 C ATOM 0 H LEU A 67 -8.495 -10.653 -18.064 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.054 -12.208 -20.042 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.787 -9.349 -18.988 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.820 -9.997 -20.298 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.874 -9.959 -20.311 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.615 -8.050 -21.897 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.915 -7.659 -20.308 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.851 -8.102 -21.664 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.609 -10.415 -22.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.842 -10.473 -22.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.868 -11.701 -21.751 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.547 -11.128 -17.288 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.405 -11.375 -16.416 1.00 0.00 C ATOM 1095 C LEU A 68 -4.249 -12.866 -16.156 1.00 0.00 C ATOM 1096 O LEU A 68 -5.221 -13.558 -15.849 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.595 -10.637 -15.089 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.412 -9.122 -15.292 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -4.924 -8.385 -14.050 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -2.925 -8.778 -15.520 1.00 0.00 C ATOM 0 H LEU A 68 -6.166 -10.379 -16.977 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.504 -11.008 -16.908 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.589 -10.840 -14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.877 -11.002 -14.355 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.977 -8.812 -16.171 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.798 -7.311 -14.186 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.980 -8.610 -13.903 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.359 -8.709 -13.176 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.818 -7.703 -15.661 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.342 -9.090 -14.653 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.563 -9.298 -16.407 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.021 -13.360 -16.289 1.00 0.00 N ATOM 1113 CA GLU A 69 -2.763 -14.778 -16.073 1.00 0.00 C ATOM 1114 C GLU A 69 -2.751 -15.098 -14.580 1.00 0.00 C ATOM 1115 O GLU A 69 -1.827 -14.718 -13.857 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.421 -15.166 -16.700 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.512 -15.040 -18.223 1.00 0.00 C ATOM 1118 CD GLU A 69 -0.156 -15.351 -18.851 1.00 0.00 C ATOM 1119 OE1 GLU A 69 0.760 -15.666 -18.110 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -0.055 -15.268 -20.065 1.00 0.00 O ATOM 0 H GLU A 69 -2.201 -12.808 -16.541 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.559 -15.352 -16.546 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.629 -14.521 -16.318 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.161 -16.188 -16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.267 -15.725 -18.609 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.826 -14.032 -18.495 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.790 -15.802 -14.124 1.00 0.00 N ATOM 1128 CA VAL A 70 -3.907 -16.175 -12.711 1.00 0.00 C ATOM 1129 C VAL A 70 -4.284 -17.646 -12.573 1.00 0.00 C ATOM 1130 O VAL A 70 -4.780 -18.260 -13.517 1.00 0.00 O ATOM 1131 CB VAL A 70 -4.976 -15.320 -12.024 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.537 -13.854 -12.003 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.301 -15.444 -12.787 1.00 0.00 C ATOM 0 H VAL A 70 -4.560 -16.125 -14.710 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.940 -16.005 -12.237 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.109 -15.670 -11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.302 -13.252 -11.513 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.598 -13.763 -11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.397 -13.501 -13.025 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.061 -14.835 -12.297 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.164 -15.099 -13.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.620 -16.486 -12.795 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.055 -18.205 -11.384 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.390 -19.610 -11.129 1.00 0.00 C ATOM 1145 C GLU A 71 -4.853 -19.793 -9.689 1.00 0.00 C ATOM 1146 O GLU A 71 -4.322 -19.167 -8.774 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.167 -20.501 -11.380 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.610 -21.960 -11.517 1.00 0.00 C ATOM 1149 CD GLU A 71 -4.355 -22.156 -12.833 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -4.384 -21.222 -13.618 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -4.883 -23.235 -13.039 1.00 0.00 O ATOM 0 H GLU A 71 -3.644 -17.715 -10.590 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.195 -19.896 -11.806 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.652 -20.181 -12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.458 -20.402 -10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.742 -22.618 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.253 -22.234 -10.681 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.832 -20.669 -9.488 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.329 -20.929 -8.144 1.00 0.00 C ATOM 1160 C ALA A 72 -5.304 -21.751 -7.374 1.00 0.00 C ATOM 1161 O ALA A 72 -4.800 -22.755 -7.877 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.657 -21.687 -8.207 1.00 0.00 C ATOM 0 H ALA A 72 -6.290 -21.203 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.492 -19.979 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.017 -21.875 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.391 -21.090 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.510 -22.636 -8.722 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.990 -21.321 -6.158 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.010 -22.034 -5.345 1.00 0.00 C ATOM 1170 C VAL A 73 -4.667 -23.207 -4.628 1.00 0.00 C ATOM 1171 O VAL A 73 -4.569 -24.350 -5.078 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.389 -21.082 -4.317 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.267 -21.804 -3.570 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.809 -19.863 -5.036 1.00 0.00 C ATOM 0 H VAL A 73 -5.393 -20.494 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.227 -22.415 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.155 -20.761 -3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.824 -21.129 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.673 -22.677 -3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.503 -22.122 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.367 -19.186 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.043 -20.187 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.603 -19.347 -5.575 1.00 0.00 H new