USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 54 THR OG1 : rot 150:sc= 0.431 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.456 K(o=0.89,f=0.1) USER MOD Set 2.1: A 49 GLN : amide:sc= 1.24 K(o=1.6,f=-4.7!) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.39 USER MOD Set 3.1: A 33 HIS : no HD1:sc= -0.0163 K(o=0.81,f=-7.1!) USER MOD Set 3.2: A 35 SER OG : rot -26:sc= 0.827 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -166:sc=-0.00827 (180deg=-0.225) USER MOD Single : A 6 THR OG1 : rot 87:sc= 0.716 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.137 K(o=-0.14,f=-11!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.031) USER MOD Single : A 39 ASN : amide:sc= -0.106 K(o=-0.11,f=-1) USER MOD Single : A 42 TYR OH : rot -161:sc= 0.846 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 2.17 (180deg=1.97) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 1.789 -6.786 6.726 1.00 49.53 N ATOM 37 CA LYS A 4 2.545 -5.647 6.220 1.00 50.07 C ATOM 38 C LYS A 4 3.016 -5.887 4.792 1.00 50.51 C ATOM 39 O LYS A 4 3.509 -6.966 4.464 1.00 49.49 O ATOM 40 CB LYS A 4 3.741 -5.353 7.126 1.00 49.82 C ATOM 41 CG LYS A 4 4.536 -4.114 6.737 1.00 49.82 C ATOM 42 CD LYS A 4 5.660 -3.844 7.726 1.00 49.82 C ATOM 43 CE LYS A 4 6.452 -2.603 7.340 1.00 50.21 C ATOM 44 NZ LYS A 4 7.555 -2.327 8.299 1.00 49.70 N ATOM 0 HA LYS A 4 1.881 -4.782 6.218 1.00 50.07 H new ATOM 0 HB2 LYS A 4 3.385 -5.235 8.150 1.00 49.82 H new ATOM 0 HB3 LYS A 4 4.408 -6.215 7.118 1.00 49.82 H new ATOM 0 HG2 LYS A 4 4.952 -4.245 5.738 1.00 49.82 H new ATOM 0 HG3 LYS A 4 3.871 -3.251 6.695 1.00 49.82 H new ATOM 0 HD2 LYS A 4 5.244 -3.716 8.726 1.00 49.82 H new ATOM 0 HD3 LYS A 4 6.327 -4.705 7.766 1.00 49.82 H new ATOM 0 HE2 LYS A 4 6.865 -2.733 6.340 1.00 50.21 H new ATOM 0 HE3 LYS A 4 5.783 -1.744 7.300 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 8.070 -1.474 8.000 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 7.160 -2.178 9.249 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 8.208 -3.136 8.319 1.00 49.70 H new ATOM 58 N MET A 5 2.859 -4.876 3.944 1.00 49.53 N ATOM 59 CA MET A 5 3.265 -4.977 2.548 1.00 50.07 C ATOM 60 C MET A 5 3.737 -3.633 2.011 1.00 50.51 C ATOM 61 O MET A 5 3.147 -2.593 2.308 1.00 49.49 O ATOM 62 CB MET A 5 2.110 -5.508 1.700 1.00 49.82 C ATOM 63 CG MET A 5 2.451 -5.719 0.232 1.00 49.86 C ATOM 64 SD MET A 5 1.052 -6.341 -0.723 1.00 49.91 S ATOM 65 CE MET A 5 0.938 -8.017 -0.104 1.00 49.78 C ATOM 0 H MET A 5 2.453 -3.976 4.200 1.00 49.53 H new ATOM 0 HA MET A 5 4.101 -5.675 2.490 1.00 50.07 H new ATOM 0 HB2 MET A 5 1.772 -6.455 2.121 1.00 49.82 H new ATOM 0 HB3 MET A 5 1.274 -4.811 1.770 1.00 49.82 H new ATOM 0 HG2 MET A 5 2.789 -4.776 -0.198 1.00 49.86 H new ATOM 0 HG3 MET A 5 3.281 -6.421 0.153 1.00 49.86 H new ATOM 0 HE1 MET A 5 0.296 -8.604 -0.760 1.00 49.78 H new ATOM 0 HE2 MET A 5 1.932 -8.463 -0.076 1.00 49.78 H new ATOM 0 HE3 MET A 5 0.517 -8.006 0.901 1.00 49.78 H new ATOM 75 N THR A 6 4.804 -3.658 1.221 1.00 49.53 N ATOM 76 CA THR A 6 5.308 -2.452 0.573 1.00 50.07 C ATOM 77 C THR A 6 5.379 -2.627 -0.938 1.00 50.51 C ATOM 78 O THR A 6 5.501 -3.745 -1.439 1.00 49.49 O ATOM 79 CB THR A 6 6.702 -2.067 1.101 1.00 50.14 C ATOM 80 OG1 THR A 6 7.638 -3.106 0.787 1.00 49.34 O ATOM 81 CG2 THR A 6 6.664 -1.862 2.607 1.00 49.73 C ATOM 0 H THR A 6 5.338 -4.502 1.013 1.00 49.53 H new ATOM 0 HA THR A 6 4.606 -1.652 0.810 1.00 50.07 H new ATOM 0 HB THR A 6 7.010 -1.135 0.626 1.00 50.14 H new ATOM 0 HG1 THR A 6 8.009 -2.953 -0.107 1.00 49.34 H new ATOM 0 HG21 THR A 6 7.658 -1.590 2.962 1.00 49.73 H new ATOM 0 HG22 THR A 6 5.962 -1.064 2.848 1.00 49.73 H new ATOM 0 HG23 THR A 6 6.345 -2.785 3.092 1.00 49.73 H new ATOM 89 N GLY A 7 5.299 -1.515 -1.662 1.00 49.53 N ATOM 90 CA GLY A 7 5.318 -1.546 -3.119 1.00 49.98 C ATOM 91 C GLY A 7 5.179 -0.146 -3.702 1.00 50.51 C ATOM 92 O GLY A 7 5.418 0.849 -3.017 1.00 49.49 O ATOM 0 H GLY A 7 5.220 -0.580 -1.262 1.00 49.53 H new ATOM 0 HA2 GLY A 7 6.249 -1.995 -3.464 1.00 49.98 H new ATOM 0 HA3 GLY A 7 4.506 -2.176 -3.482 1.00 49.98 H new ATOM 96 N ILE A 8 4.790 -0.075 -4.971 1.00 49.53 N ATOM 97 CA ILE A 8 4.579 1.204 -5.637 1.00 50.07 C ATOM 98 C ILE A 8 3.162 1.313 -6.185 1.00 50.51 C ATOM 99 O ILE A 8 2.589 0.328 -6.651 1.00 49.49 O ATOM 100 CB ILE A 8 5.581 1.416 -6.786 1.00 49.91 C ATOM 101 CG1 ILE A 8 5.442 0.303 -7.828 1.00 49.82 C ATOM 102 CG2 ILE A 8 7.003 1.470 -6.248 1.00 49.73 C ATOM 103 CD1 ILE A 8 6.246 0.540 -9.086 1.00 49.73 C ATOM 0 H ILE A 8 4.614 -0.890 -5.559 1.00 49.53 H new ATOM 0 HA ILE A 8 4.735 1.978 -4.885 1.00 50.07 H new ATOM 0 HB ILE A 8 5.359 2.368 -7.268 1.00 49.91 H new ATOM 0 HG12 ILE A 8 5.754 -0.641 -7.381 1.00 49.82 H new ATOM 0 HG13 ILE A 8 4.390 0.197 -8.095 1.00 49.82 H new ATOM 0 HG21 ILE A 8 7.699 1.620 -7.073 1.00 49.73 H new ATOM 0 HG22 ILE A 8 7.094 2.295 -5.542 1.00 49.73 H new ATOM 0 HG23 ILE A 8 7.237 0.533 -5.743 1.00 49.73 H new ATOM 0 HD11 ILE A 8 6.096 -0.291 -9.776 1.00 49.73 H new ATOM 0 HD12 ILE A 8 5.919 1.467 -9.558 1.00 49.73 H new ATOM 0 HD13 ILE A 8 7.304 0.615 -8.833 1.00 49.73 H new ATOM 115 N VAL A 9 2.601 2.517 -6.128 1.00 49.53 N ATOM 116 CA VAL A 9 1.232 2.745 -6.572 1.00 50.07 C ATOM 117 C VAL A 9 1.110 2.593 -8.083 1.00 50.51 C ATOM 118 O VAL A 9 1.491 3.487 -8.839 1.00 49.49 O ATOM 119 CB VAL A 9 0.732 4.144 -6.166 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.701 4.354 -6.630 1.00 49.73 C ATOM 121 CG2 VAL A 9 0.833 4.329 -4.659 1.00 49.73 C ATOM 0 H VAL A 9 3.075 3.350 -5.778 1.00 49.53 H new ATOM 0 HA VAL A 9 0.614 1.992 -6.083 1.00 50.07 H new ATOM 0 HB VAL A 9 1.364 4.888 -6.650 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -1.037 5.348 -6.334 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.749 4.263 -7.715 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -1.345 3.602 -6.174 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.476 5.323 -4.390 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.224 3.576 -4.158 1.00 49.73 H new ATOM 0 HG23 VAL A 9 1.872 4.220 -4.348 1.00 49.73 H new ATOM 131 N LYS A 10 0.577 1.456 -8.517 1.00 49.53 N ATOM 132 CA LYS A 10 0.376 1.198 -9.938 1.00 50.07 C ATOM 133 C LYS A 10 -0.364 2.348 -10.607 1.00 50.51 C ATOM 134 O LYS A 10 0.092 2.890 -11.614 1.00 49.49 O ATOM 135 CB LYS A 10 -0.393 -0.109 -10.140 1.00 49.82 C ATOM 136 CG LYS A 10 -0.558 -0.523 -11.597 1.00 49.82 C ATOM 137 CD LYS A 10 -1.355 -1.814 -11.720 1.00 49.82 C ATOM 138 CE LYS A 10 -1.568 -2.196 -13.177 1.00 50.21 C ATOM 139 NZ LYS A 10 -2.329 -3.469 -13.312 1.00 49.70 N ATOM 0 H LYS A 10 0.276 0.698 -7.904 1.00 49.53 H new ATOM 0 HA LYS A 10 1.358 1.108 -10.403 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.123 -0.906 -9.605 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -1.380 -0.009 -9.689 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -1.062 0.271 -12.148 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.423 -0.654 -12.053 1.00 49.82 H new ATOM 0 HD2 LYS A 10 -0.830 -2.618 -11.204 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -2.320 -1.696 -11.228 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -2.105 -1.396 -13.687 1.00 50.21 H new ATOM 0 HE3 LYS A 10 -0.602 -2.297 -13.671 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 -2.453 -3.694 -14.320 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 -1.805 -4.238 -12.847 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -3.261 -3.365 -12.863 1.00 49.70 H new ATOM 153 N TRP A 11 -1.508 2.719 -10.042 1.00 49.53 N ATOM 154 CA TRP A 11 -2.225 3.912 -10.474 1.00 50.07 C ATOM 155 C TRP A 11 -3.273 4.327 -9.449 1.00 50.51 C ATOM 156 O TRP A 11 -3.767 3.500 -8.683 1.00 49.49 O ATOM 157 CB TRP A 11 -2.887 3.672 -11.833 1.00 49.82 C ATOM 158 CG TRP A 11 -4.015 2.687 -11.782 1.00 49.97 C ATOM 159 CD1 TRP A 11 -3.931 1.340 -11.968 1.00 50.03 C ATOM 160 CD2 TRP A 11 -5.397 2.972 -11.532 1.00 49.98 C ATOM 161 NE1 TRP A 11 -5.173 0.768 -11.849 1.00 49.39 N ATOM 162 CE2 TRP A 11 -6.092 1.751 -11.579 1.00 50.13 C ATOM 163 CE3 TRP A 11 -6.115 4.148 -11.269 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -7.460 1.665 -11.377 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -7.488 4.061 -11.066 1.00 49.88 C ATOM 166 CH2 TRP A 11 -8.140 2.855 -11.119 1.00 49.88 C ATOM 0 H TRP A 11 -1.959 2.209 -9.282 1.00 49.53 H new ATOM 0 HA TRP A 11 -1.501 4.722 -10.568 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -3.260 4.620 -12.219 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -2.135 3.315 -12.537 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -3.019 0.801 -12.179 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -5.379 -0.226 -11.946 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -5.611 5.102 -11.225 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -7.977 0.718 -11.418 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -8.052 4.960 -10.863 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -9.207 2.826 -10.957 1.00 49.88 H new ATOM 177 N PHE A 12 -3.607 5.613 -9.440 1.00 49.53 N ATOM 178 CA PHE A 12 -4.620 6.135 -8.530 1.00 50.07 C ATOM 179 C PHE A 12 -5.314 7.355 -9.121 1.00 50.51 C ATOM 180 O PHE A 12 -4.680 8.376 -9.386 1.00 49.49 O ATOM 181 CB PHE A 12 -3.994 6.488 -7.181 1.00 49.82 C ATOM 182 CG PHE A 12 -4.999 6.739 -6.092 1.00 50.00 C ATOM 183 CD1 PHE A 12 -5.512 8.011 -5.881 1.00 49.88 C ATOM 184 CD2 PHE A 12 -5.436 5.705 -5.280 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.435 8.244 -4.881 1.00 49.88 C ATOM 186 CE2 PHE A 12 -6.361 5.935 -4.279 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.861 7.204 -4.080 1.00 49.88 C ATOM 0 H PHE A 12 -3.191 6.314 -10.053 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.369 5.357 -8.381 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.335 5.676 -6.874 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -3.373 7.376 -7.301 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.185 8.829 -6.507 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -5.049 4.708 -5.431 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -6.823 9.240 -4.726 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -6.692 5.120 -3.652 1.00 49.88 H new ATOM 0 HZ PHE A 12 -7.585 7.384 -3.299 1.00 49.88 H new ATOM 197 N ASN A 13 -6.623 7.243 -9.324 1.00 49.53 N ATOM 198 CA ASN A 13 -7.408 8.338 -9.883 1.00 50.07 C ATOM 199 C ASN A 13 -7.870 9.296 -8.795 1.00 50.51 C ATOM 200 O ASN A 13 -8.657 8.929 -7.923 1.00 49.49 O ATOM 201 CB ASN A 13 -8.599 7.821 -10.669 1.00 49.82 C ATOM 202 CG ASN A 13 -9.347 8.895 -11.409 1.00 50.55 C ATOM 203 OD1 ASN A 13 -9.326 10.072 -11.026 1.00 49.45 O ATOM 204 ND2 ASN A 13 -10.076 8.486 -12.416 1.00 49.38 N ATOM 0 H ASN A 13 -7.163 6.404 -9.110 1.00 49.53 H new ATOM 0 HA ASN A 13 -6.759 8.883 -10.568 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -8.255 7.073 -11.383 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -9.284 7.319 -9.986 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -10.662 9.149 -12.924 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -10.058 7.504 -12.693 1.00 49.38 H new ATOM 211 N ALA A 14 -7.378 10.529 -8.851 1.00 49.53 N ATOM 212 CA ALA A 14 -7.667 11.517 -7.818 1.00 50.07 C ATOM 213 C ALA A 14 -9.159 11.823 -7.753 1.00 50.51 C ATOM 214 O ALA A 14 -9.706 12.069 -6.679 1.00 49.49 O ATOM 215 CB ALA A 14 -6.872 12.791 -8.066 1.00 49.73 C ATOM 0 H ALA A 14 -6.777 10.868 -9.602 1.00 49.53 H new ATOM 0 HA ALA A 14 -7.367 11.099 -6.857 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -7.098 13.519 -7.287 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -5.806 12.563 -8.051 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -7.141 13.205 -9.038 1.00 49.73 H new ATOM 221 N ASP A 15 -9.812 11.809 -8.910 1.00 49.53 N ATOM 222 CA ASP A 15 -11.226 12.152 -8.996 1.00 50.07 C ATOM 223 C ASP A 15 -12.102 10.991 -8.541 1.00 50.51 C ATOM 224 O ASP A 15 -13.155 11.195 -7.937 1.00 49.49 O ATOM 225 CB ASP A 15 -11.594 12.558 -10.425 1.00 49.72 C ATOM 226 CG ASP A 15 -11.046 13.913 -10.854 1.00 50.62 C ATOM 227 OD1 ASP A 15 -10.611 14.652 -10.003 1.00 49.24 O ATOM 228 OD2 ASP A 15 -10.922 14.135 -12.034 1.00 49.24 O ATOM 0 H ASP A 15 -9.383 11.563 -9.802 1.00 49.53 H new ATOM 0 HA ASP A 15 -11.405 12.997 -8.331 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -11.226 11.796 -11.112 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -12.680 12.573 -10.517 1.00 49.72 H new ATOM 233 N LYS A 16 -11.661 9.773 -8.834 1.00 49.53 N ATOM 234 CA LYS A 16 -12.412 8.579 -8.469 1.00 50.07 C ATOM 235 C LYS A 16 -12.197 8.217 -7.004 1.00 50.51 C ATOM 236 O LYS A 16 -13.109 7.735 -6.333 1.00 49.49 O ATOM 237 CB LYS A 16 -12.016 7.402 -9.364 1.00 49.82 C ATOM 238 CG LYS A 16 -12.844 6.143 -9.150 1.00 49.82 C ATOM 239 CD LYS A 16 -12.569 5.109 -10.232 1.00 49.82 C ATOM 240 CE LYS A 16 -13.416 3.860 -10.035 1.00 50.21 C ATOM 241 NZ LYS A 16 -13.346 2.949 -11.210 1.00 49.70 N ATOM 0 H LYS A 16 -10.786 9.587 -9.324 1.00 49.53 H new ATOM 0 HA LYS A 16 -13.470 8.795 -8.615 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.105 7.708 -10.406 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -10.966 7.166 -9.190 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -12.617 5.718 -8.172 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.904 6.398 -9.149 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -12.777 5.541 -11.211 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -11.513 4.840 -10.220 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -13.079 3.330 -9.144 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -14.453 4.148 -9.861 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -13.937 2.111 -11.035 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -13.692 3.446 -12.056 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -12.361 2.653 -11.361 1.00 49.70 H new ATOM 255 N GLY A 17 -10.984 8.454 -6.514 1.00 49.53 N ATOM 256 CA GLY A 17 -10.641 8.137 -5.134 1.00 49.98 C ATOM 257 C GLY A 17 -10.188 6.688 -4.998 1.00 50.51 C ATOM 258 O GLY A 17 -9.926 6.210 -3.894 1.00 49.49 O ATOM 0 H GLY A 17 -10.222 8.865 -7.054 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -9.848 8.802 -4.791 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -11.504 8.313 -4.492 1.00 49.98 H new ATOM 262 N PHE A 18 -10.097 5.994 -6.127 1.00 49.53 N ATOM 263 CA PHE A 18 -9.727 4.583 -6.131 1.00 50.07 C ATOM 264 C PHE A 18 -8.499 4.339 -7.000 1.00 50.51 C ATOM 265 O PHE A 18 -8.224 5.096 -7.930 1.00 49.49 O ATOM 266 CB PHE A 18 -10.896 3.726 -6.619 1.00 49.82 C ATOM 267 CG PHE A 18 -12.066 3.704 -5.677 1.00 50.00 C ATOM 268 CD1 PHE A 18 -11.884 3.901 -4.316 1.00 49.88 C ATOM 269 CD2 PHE A 18 -13.352 3.487 -6.151 1.00 49.88 C ATOM 270 CE1 PHE A 18 -12.959 3.882 -3.449 1.00 49.88 C ATOM 271 CE2 PHE A 18 -14.429 3.468 -5.286 1.00 49.88 C ATOM 272 CZ PHE A 18 -14.232 3.666 -3.933 1.00 49.88 C ATOM 0 H PHE A 18 -10.274 6.386 -7.052 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.482 4.298 -5.108 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -11.228 4.099 -7.588 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.546 2.705 -6.773 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -10.890 4.071 -3.930 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -13.513 3.331 -7.208 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -12.802 4.036 -2.392 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -15.425 3.298 -5.667 1.00 49.88 H new ATOM 0 HZ PHE A 18 -15.073 3.652 -3.256 1.00 49.88 H new ATOM 282 N GLY A 19 -7.765 3.276 -6.690 1.00 49.53 N ATOM 283 CA GLY A 19 -6.624 2.870 -7.504 1.00 49.98 C ATOM 284 C GLY A 19 -6.092 1.511 -7.067 1.00 50.51 C ATOM 285 O GLY A 19 -6.730 0.806 -6.285 1.00 49.49 O ATOM 0 H GLY A 19 -7.939 2.680 -5.881 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.918 2.828 -8.553 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.833 3.616 -7.424 1.00 49.98 H new ATOM 289 N PHE A 20 -4.920 1.148 -7.577 1.00 49.53 N ATOM 290 CA PHE A 20 -4.290 -0.118 -7.224 1.00 50.07 C ATOM 291 C PHE A 20 -2.805 0.063 -6.945 1.00 50.51 C ATOM 292 O PHE A 20 -2.155 0.928 -7.531 1.00 49.49 O ATOM 293 CB PHE A 20 -4.495 -1.144 -8.340 1.00 49.82 C ATOM 294 CG PHE A 20 -5.898 -1.673 -8.430 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.849 -1.030 -9.208 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.272 -2.812 -7.733 1.00 49.88 C ATOM 297 CE1 PHE A 20 -8.140 -1.516 -9.291 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.561 -3.301 -7.814 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.497 -2.650 -8.593 1.00 49.88 C ATOM 0 H PHE A 20 -4.387 1.714 -8.237 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.763 -0.484 -6.313 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -4.227 -0.688 -9.293 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -3.812 -1.979 -8.183 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -6.578 -0.139 -9.755 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -5.546 -3.323 -7.119 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -8.870 -1.007 -9.903 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -7.837 -4.192 -7.269 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.507 -3.028 -8.655 1.00 49.88 H new ATOM 309 N ILE A 21 -2.271 -0.758 -6.047 1.00 49.53 N ATOM 310 CA ILE A 21 -0.857 -0.700 -5.699 1.00 50.07 C ATOM 311 C ILE A 21 -0.170 -2.034 -5.958 1.00 50.51 C ATOM 312 O ILE A 21 -0.667 -3.086 -5.556 1.00 49.49 O ATOM 313 CB ILE A 21 -0.653 -0.304 -4.225 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.271 1.069 -3.950 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.826 -0.307 -3.874 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.318 1.435 -2.484 1.00 49.73 C ATOM 0 H ILE A 21 -2.798 -1.473 -5.546 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.409 0.064 -6.335 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.156 -1.038 -3.596 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.701 1.828 -4.486 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.284 1.088 -4.352 1.00 49.82 H new ATOM 0 HG21 ILE A 21 0.952 -0.025 -2.829 1.00 49.73 H new ATOM 0 HG22 ILE A 21 1.236 -1.305 -4.033 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.352 0.406 -4.508 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.769 2.421 -2.369 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -1.913 0.699 -1.944 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.306 1.450 -2.080 1.00 49.73 H new ATOM 328 N THR A 22 0.975 -1.984 -6.631 1.00 49.53 N ATOM 329 CA THR A 22 1.720 -3.192 -6.965 1.00 50.07 C ATOM 330 C THR A 22 2.851 -3.433 -5.973 1.00 50.51 C ATOM 331 O THR A 22 3.738 -2.595 -5.813 1.00 49.49 O ATOM 332 CB THR A 22 2.306 -3.119 -8.386 1.00 50.14 C ATOM 333 OG1 THR A 22 1.240 -3.000 -9.339 1.00 49.34 O ATOM 334 CG2 THR A 22 3.117 -4.369 -8.694 1.00 49.73 C ATOM 0 H THR A 22 1.407 -1.119 -6.956 1.00 49.53 H new ATOM 0 HA THR A 22 1.013 -4.020 -6.915 1.00 50.07 H new ATOM 0 HB THR A 22 2.960 -2.249 -8.449 1.00 50.14 H new ATOM 0 HG1 THR A 22 1.614 -2.952 -10.244 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.524 -4.300 -9.703 1.00 49.73 H new ATOM 0 HG22 THR A 22 3.935 -4.458 -7.979 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.475 -5.247 -8.621 1.00 49.73 H new ATOM 342 N PRO A 23 2.813 -4.584 -5.309 1.00 49.71 N ATOM 343 CA PRO A 23 3.789 -4.903 -4.273 1.00 50.02 C ATOM 344 C PRO A 23 5.188 -5.042 -4.859 1.00 50.51 C ATOM 345 O PRO A 23 5.351 -5.263 -6.058 1.00 49.49 O ATOM 346 CB PRO A 23 3.279 -6.222 -3.670 1.00 49.82 C ATOM 347 CG PRO A 23 2.495 -6.876 -4.775 1.00 49.82 C ATOM 348 CD PRO A 23 1.794 -5.631 -5.453 1.00 50.00 C ATOM 0 HA PRO A 23 3.877 -4.120 -3.520 1.00 50.02 H new ATOM 0 HB2 PRO A 23 4.106 -6.854 -3.345 1.00 49.82 H new ATOM 0 HB3 PRO A 23 2.654 -6.041 -2.796 1.00 49.82 H new ATOM 0 HG2 PRO A 23 3.139 -7.412 -5.472 1.00 49.82 H new ATOM 0 HG3 PRO A 23 1.771 -7.595 -4.392 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.550 -5.821 -6.498 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.863 -5.365 -4.952 1.00 50.00 H new ATOM 356 N ASP A 24 6.197 -4.910 -4.004 1.00 49.53 N ATOM 357 CA ASP A 24 7.584 -5.062 -4.427 1.00 50.07 C ATOM 358 C ASP A 24 7.836 -6.451 -5.002 1.00 50.51 C ATOM 359 O ASP A 24 8.732 -6.639 -5.825 1.00 49.49 O ATOM 360 CB ASP A 24 8.535 -4.798 -3.257 1.00 49.72 C ATOM 361 CG ASP A 24 8.726 -3.324 -2.925 1.00 50.62 C ATOM 362 OD1 ASP A 24 8.474 -2.504 -3.775 1.00 49.24 O ATOM 363 OD2 ASP A 24 8.970 -3.020 -1.780 1.00 49.24 O ATOM 0 H ASP A 24 6.080 -4.698 -3.013 1.00 49.53 H new ATOM 0 HA ASP A 24 7.774 -4.328 -5.210 1.00 50.07 H new ATOM 0 HB2 ASP A 24 8.156 -5.311 -2.373 1.00 49.72 H new ATOM 0 HB3 ASP A 24 9.506 -5.235 -3.488 1.00 49.72 H new ATOM 368 N ASP A 25 7.042 -7.420 -4.563 1.00 49.53 N ATOM 369 CA ASP A 25 7.174 -8.793 -5.036 1.00 50.07 C ATOM 370 C ASP A 25 6.853 -8.897 -6.521 1.00 50.51 C ATOM 371 O ASP A 25 7.309 -9.816 -7.202 1.00 49.49 O ATOM 372 CB ASP A 25 6.265 -9.727 -4.234 1.00 49.72 C ATOM 373 CG ASP A 25 6.735 -9.992 -2.811 1.00 50.62 C ATOM 374 OD1 ASP A 25 7.854 -9.657 -2.502 1.00 49.24 O ATOM 375 OD2 ASP A 25 5.924 -10.378 -2.001 1.00 49.24 O ATOM 0 H ASP A 25 6.298 -7.280 -3.879 1.00 49.53 H new ATOM 0 HA ASP A 25 8.210 -9.097 -4.889 1.00 50.07 H new ATOM 0 HB2 ASP A 25 5.264 -9.298 -4.199 1.00 49.72 H new ATOM 0 HB3 ASP A 25 6.186 -10.678 -4.761 1.00 49.72 H new ATOM 380 N GLY A 26 6.064 -7.952 -7.020 1.00 49.53 N ATOM 381 CA GLY A 26 5.654 -7.953 -8.418 1.00 49.98 C ATOM 382 C GLY A 26 4.449 -8.859 -8.638 1.00 50.51 C ATOM 383 O GLY A 26 4.005 -9.054 -9.768 1.00 49.49 O ATOM 0 H GLY A 26 5.695 -7.173 -6.474 1.00 49.53 H new ATOM 0 HA2 GLY A 26 5.410 -6.937 -8.729 1.00 49.98 H new ATOM 0 HA3 GLY A 26 6.482 -8.287 -9.042 1.00 49.98 H new ATOM 387 N SER A 27 3.926 -9.413 -7.548 1.00 49.53 N ATOM 388 CA SER A 27 2.759 -10.284 -7.617 1.00 50.07 C ATOM 389 C SER A 27 1.487 -9.483 -7.866 1.00 50.51 C ATOM 390 O SER A 27 1.529 -8.261 -8.003 1.00 49.49 O ATOM 391 CB SER A 27 2.634 -11.092 -6.341 1.00 50.05 C ATOM 392 OG SER A 27 2.292 -10.291 -5.243 1.00 49.34 O ATOM 0 H SER A 27 4.293 -9.274 -6.606 1.00 49.53 H new ATOM 0 HA SER A 27 2.894 -10.966 -8.456 1.00 50.07 H new ATOM 0 HB2 SER A 27 1.878 -11.866 -6.475 1.00 50.05 H new ATOM 0 HB3 SER A 27 3.577 -11.600 -6.140 1.00 50.05 H new ATOM 0 HG SER A 27 2.219 -10.849 -4.441 1.00 49.34 H new ATOM 398 N LYS A 28 0.357 -10.180 -7.920 1.00 49.53 N ATOM 399 CA LYS A 28 -0.933 -9.531 -8.124 1.00 50.07 C ATOM 400 C LYS A 28 -1.084 -8.307 -7.229 1.00 50.51 C ATOM 401 O LYS A 28 -0.774 -8.357 -6.038 1.00 49.49 O ATOM 402 CB LYS A 28 -2.075 -10.515 -7.865 1.00 49.82 C ATOM 403 CG LYS A 28 -3.465 -9.947 -8.114 1.00 49.82 C ATOM 404 CD LYS A 28 -4.541 -10.998 -7.891 1.00 49.82 C ATOM 405 CE LYS A 28 -5.934 -10.417 -8.091 1.00 50.21 C ATOM 406 NZ LYS A 28 -6.997 -11.441 -7.892 1.00 49.70 N ATOM 0 H LYS A 28 0.308 -11.194 -7.825 1.00 49.53 H new ATOM 0 HA LYS A 28 -0.978 -9.201 -9.162 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -1.935 -11.390 -8.499 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -2.016 -10.857 -6.832 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -3.638 -9.100 -7.450 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -3.528 -9.570 -9.135 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -4.389 -11.829 -8.580 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -4.455 -11.401 -6.882 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -6.088 -9.594 -7.393 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -6.013 -10.002 -9.096 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -7.930 -11.005 -8.037 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -6.866 -12.215 -8.575 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -6.938 -11.819 -6.925 1.00 49.70 H new ATOM 420 N ASP A 29 -1.558 -7.211 -7.808 1.00 49.53 N ATOM 421 CA ASP A 29 -1.653 -5.945 -7.091 1.00 50.07 C ATOM 422 C ASP A 29 -2.805 -5.960 -6.095 1.00 50.51 C ATOM 423 O ASP A 29 -3.575 -6.920 -6.037 1.00 49.49 O ATOM 424 CB ASP A 29 -1.823 -4.784 -8.074 1.00 49.72 C ATOM 425 CG ASP A 29 -3.141 -4.792 -8.836 1.00 50.62 C ATOM 426 OD1 ASP A 29 -4.046 -5.470 -8.410 1.00 49.24 O ATOM 427 OD2 ASP A 29 -3.285 -4.005 -9.740 1.00 49.24 O ATOM 0 H ASP A 29 -1.883 -7.173 -8.774 1.00 49.53 H new ATOM 0 HA ASP A 29 -0.725 -5.807 -6.536 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -1.740 -3.845 -7.526 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -1.003 -4.808 -8.791 1.00 49.72 H new ATOM 432 N VAL A 30 -2.919 -4.893 -5.311 1.00 49.53 N ATOM 433 CA VAL A 30 -3.963 -4.792 -4.300 1.00 50.07 C ATOM 434 C VAL A 30 -4.774 -3.515 -4.470 1.00 50.51 C ATOM 435 O VAL A 30 -4.295 -2.537 -5.047 1.00 49.49 O ATOM 436 CB VAL A 30 -3.377 -4.831 -2.876 1.00 49.91 C ATOM 437 CG1 VAL A 30 -2.681 -6.161 -2.623 1.00 49.73 C ATOM 438 CG2 VAL A 30 -2.409 -3.678 -2.666 1.00 49.73 C ATOM 0 H VAL A 30 -2.299 -4.084 -5.357 1.00 49.53 H new ATOM 0 HA VAL A 30 -4.616 -5.654 -4.438 1.00 50.07 H new ATOM 0 HB VAL A 30 -4.196 -4.728 -2.164 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -2.273 -6.172 -1.612 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -3.399 -6.974 -2.733 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -1.872 -6.291 -3.342 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -2.005 -3.722 -1.655 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -1.594 -3.752 -3.386 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -2.933 -2.733 -2.807 1.00 49.73 H new ATOM 448 N PHE A 31 -6.002 -3.527 -3.965 1.00 49.53 N ATOM 449 CA PHE A 31 -6.902 -2.389 -4.111 1.00 50.07 C ATOM 450 C PHE A 31 -6.638 -1.337 -3.042 1.00 50.51 C ATOM 451 O PHE A 31 -6.462 -1.662 -1.867 1.00 49.49 O ATOM 452 CB PHE A 31 -8.360 -2.850 -4.048 1.00 49.82 C ATOM 453 CG PHE A 31 -9.353 -1.725 -4.110 1.00 50.00 C ATOM 454 CD1 PHE A 31 -9.605 -1.066 -5.304 1.00 49.88 C ATOM 455 CD2 PHE A 31 -10.039 -1.321 -2.973 1.00 49.88 C ATOM 456 CE1 PHE A 31 -10.519 -0.031 -5.361 1.00 49.88 C ATOM 457 CE2 PHE A 31 -10.953 -0.287 -3.027 1.00 49.88 C ATOM 458 CZ PHE A 31 -11.193 0.359 -4.225 1.00 49.88 C ATOM 0 H PHE A 31 -6.398 -4.313 -3.450 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.715 -1.937 -5.085 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.550 -3.537 -4.873 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.515 -3.409 -3.125 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -9.081 -1.365 -6.200 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -9.856 -1.822 -2.034 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -10.705 0.473 -6.298 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -11.480 0.016 -2.134 1.00 49.88 H new ATOM 0 HZ PHE A 31 -11.907 1.168 -4.270 1.00 49.88 H new ATOM 468 N VAL A 32 -6.612 -0.074 -3.454 1.00 49.53 N ATOM 469 CA VAL A 32 -6.422 1.031 -2.524 1.00 50.07 C ATOM 470 C VAL A 32 -7.432 2.144 -2.778 1.00 50.51 C ATOM 471 O VAL A 32 -7.745 2.461 -3.925 1.00 49.49 O ATOM 472 CB VAL A 32 -4.999 1.613 -2.618 1.00 49.91 C ATOM 473 CG1 VAL A 32 -4.751 2.193 -4.002 1.00 49.73 C ATOM 474 CG2 VAL A 32 -4.785 2.673 -1.550 1.00 49.73 C ATOM 0 H VAL A 32 -6.720 0.209 -4.428 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.573 0.627 -1.523 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.285 0.806 -2.450 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -3.741 2.600 -4.050 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -4.863 1.409 -4.751 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.472 2.987 -4.198 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -3.774 3.073 -1.632 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -5.506 3.479 -1.687 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -4.921 2.229 -0.564 1.00 49.73 H new ATOM 484 N HIS A 33 -7.939 2.734 -1.701 1.00 49.53 N ATOM 485 CA HIS A 33 -8.909 3.817 -1.805 1.00 50.07 C ATOM 486 C HIS A 33 -8.439 5.052 -1.049 1.00 50.51 C ATOM 487 O HIS A 33 -7.510 4.984 -0.243 1.00 49.49 O ATOM 488 CB HIS A 33 -10.278 3.371 -1.279 1.00 49.92 C ATOM 489 CG HIS A 33 -10.210 2.635 0.023 1.00 50.22 C ATOM 490 ND1 HIS A 33 -10.228 3.279 1.242 1.00 49.30 N ATOM 491 CD2 HIS A 33 -10.125 1.312 0.296 1.00 49.95 C ATOM 492 CE1 HIS A 33 -10.157 2.383 2.210 1.00 50.25 C ATOM 493 NE2 HIS A 33 -10.093 1.183 1.664 1.00 49.64 N ATOM 0 H HIS A 33 -7.693 2.480 -0.744 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.003 4.075 -2.860 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -10.914 4.248 -1.158 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -10.753 2.732 -2.023 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -10.089 0.509 -0.425 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -10.152 2.596 3.269 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -10.030 0.302 2.175 1.00 49.64 H new ATOM 501 N PHE A 34 -9.085 6.184 -1.314 1.00 49.53 N ATOM 502 CA PHE A 34 -8.616 7.470 -0.812 1.00 50.07 C ATOM 503 C PHE A 34 -8.608 7.497 0.711 1.00 50.51 C ATOM 504 O PHE A 34 -7.785 8.176 1.325 1.00 49.49 O ATOM 505 CB PHE A 34 -9.486 8.604 -1.353 1.00 49.82 C ATOM 506 CG PHE A 34 -10.872 8.635 -0.776 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.896 7.895 -1.349 1.00 49.88 C ATOM 508 CD2 PHE A 34 -11.156 9.403 0.343 1.00 49.88 C ATOM 509 CE1 PHE A 34 -13.171 7.921 -0.820 1.00 49.88 C ATOM 510 CE2 PHE A 34 -12.431 9.430 0.875 1.00 49.88 C ATOM 511 CZ PHE A 34 -13.439 8.690 0.295 1.00 49.88 C ATOM 0 H PHE A 34 -9.936 6.236 -1.874 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.593 7.611 -1.160 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.996 9.555 -1.147 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.556 8.510 -2.437 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -11.693 7.290 -2.221 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -10.372 9.986 0.804 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -13.958 7.340 -1.278 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -12.638 10.032 1.747 1.00 49.88 H new ATOM 0 HZ PHE A 34 -14.435 8.712 0.711 1.00 49.88 H new ATOM 521 N SER A 35 -9.530 6.756 1.316 1.00 49.53 N ATOM 522 CA SER A 35 -9.670 6.742 2.768 1.00 50.07 C ATOM 523 C SER A 35 -8.649 5.811 3.409 1.00 50.51 C ATOM 524 O SER A 35 -8.518 5.768 4.633 1.00 49.49 O ATOM 525 CB SER A 35 -11.076 6.328 3.152 1.00 50.05 C ATOM 526 OG SER A 35 -11.340 4.991 2.829 1.00 49.34 O ATOM 0 H SER A 35 -10.192 6.157 0.823 1.00 49.53 H new ATOM 0 HA SER A 35 -9.484 7.750 3.138 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.217 6.476 4.223 1.00 50.05 H new ATOM 0 HB3 SER A 35 -11.794 6.972 2.644 1.00 50.05 H new ATOM 0 HG SER A 35 -10.769 4.716 2.082 1.00 49.34 H new ATOM 532 N ALA A 36 -7.928 5.066 2.579 1.00 49.53 N ATOM 533 CA ALA A 36 -6.816 4.251 3.048 1.00 50.07 C ATOM 534 C ALA A 36 -5.538 5.072 3.157 1.00 50.51 C ATOM 535 O ALA A 36 -4.558 4.636 3.760 1.00 49.49 O ATOM 536 CB ALA A 36 -6.607 3.058 2.127 1.00 49.73 C ATOM 0 H ALA A 36 -8.095 5.010 1.574 1.00 49.53 H new ATOM 0 HA ALA A 36 -7.064 3.885 4.044 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -5.772 2.459 2.491 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.511 2.449 2.110 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.388 3.410 1.119 1.00 49.73 H new ATOM 542 N ILE A 37 -5.555 6.264 2.570 1.00 49.53 N ATOM 543 CA ILE A 37 -4.370 7.114 2.527 1.00 50.07 C ATOM 544 C ILE A 37 -4.198 7.884 3.831 1.00 50.51 C ATOM 545 O ILE A 37 -5.136 8.509 4.323 1.00 49.49 O ATOM 546 CB ILE A 37 -4.435 8.113 1.358 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.516 7.368 0.023 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.228 9.038 1.382 1.00 49.73 C ATOM 549 CD1 ILE A 37 -4.851 8.257 -1.153 1.00 49.73 C ATOM 0 H ILE A 37 -6.377 6.664 2.117 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.514 6.454 2.382 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.334 8.719 1.469 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -3.562 6.876 -0.166 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.270 6.584 0.100 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.289 9.738 0.549 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.213 9.592 2.321 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.316 8.448 1.294 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -4.891 7.658 -2.063 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -5.819 8.730 -0.988 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -4.085 9.026 -1.258 1.00 49.73 H new ATOM 561 N GLN A 38 -2.991 7.831 4.387 1.00 49.53 N ATOM 562 CA GLN A 38 -2.696 8.516 5.639 1.00 50.07 C ATOM 563 C GLN A 38 -2.017 9.856 5.388 1.00 50.51 C ATOM 564 O GLN A 38 -1.543 10.125 4.285 1.00 49.49 O ATOM 565 CB GLN A 38 -1.803 7.644 6.528 1.00 49.82 C ATOM 566 CG GLN A 38 -2.388 6.279 6.849 1.00 49.82 C ATOM 567 CD GLN A 38 -3.693 6.375 7.617 1.00 50.55 C ATOM 568 OE1 GLN A 38 -3.769 7.026 8.661 1.00 49.45 O ATOM 569 NE2 GLN A 38 -4.730 5.722 7.103 1.00 49.38 N ATOM 0 H GLN A 38 -2.202 7.321 3.989 1.00 49.53 H new ATOM 0 HA GLN A 38 -3.643 8.699 6.148 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -0.841 7.508 6.035 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -1.611 8.173 7.461 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -2.555 5.731 5.922 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -1.667 5.706 7.433 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -4.622 5.195 6.236 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -5.634 5.748 7.575 1.00 49.38 H new ATOM 578 N ASN A 39 -1.977 10.694 6.418 1.00 49.53 N ATOM 579 CA ASN A 39 -1.308 11.987 6.327 1.00 50.07 C ATOM 580 C ASN A 39 -2.274 13.076 5.880 1.00 50.51 C ATOM 581 O ASN A 39 -3.364 12.787 5.385 1.00 49.49 O ATOM 582 CB ASN A 39 -0.113 11.930 5.394 1.00 49.82 C ATOM 583 CG ASN A 39 1.004 11.056 5.892 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.152 10.834 7.100 1.00 49.45 O ATOM 585 ND2 ASN A 39 1.837 10.629 4.979 1.00 49.38 N ATOM 0 H ASN A 39 -2.400 10.501 7.326 1.00 49.53 H new ATOM 0 HA ASN A 39 -0.948 12.234 7.326 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -0.441 11.565 4.421 1.00 49.82 H new ATOM 0 HB3 ASN A 39 0.268 12.940 5.244 1.00 49.82 H new ATOM 0 HD21 ASN A 39 2.656 10.085 5.250 1.00 49.38 H new ATOM 0 HD22 ASN A 39 1.668 10.840 3.996 1.00 49.38 H new ATOM 592 N ASP A 40 -1.869 14.330 6.058 1.00 49.53 N ATOM 593 CA ASP A 40 -2.721 15.465 5.722 1.00 50.07 C ATOM 594 C ASP A 40 -2.680 15.760 4.227 1.00 50.51 C ATOM 595 O ASP A 40 -2.042 15.040 3.459 1.00 49.49 O ATOM 596 CB ASP A 40 -2.299 16.704 6.514 1.00 49.72 C ATOM 597 CG ASP A 40 -0.924 17.246 6.150 1.00 50.62 C ATOM 598 OD1 ASP A 40 -0.403 16.854 5.133 1.00 49.24 O ATOM 599 OD2 ASP A 40 -0.475 18.158 6.802 1.00 49.24 O ATOM 0 H ASP A 40 -0.956 14.585 6.433 1.00 49.53 H new ATOM 0 HA ASP A 40 -3.745 15.205 5.991 1.00 50.07 H new ATOM 0 HB2 ASP A 40 -3.039 17.489 6.358 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -2.311 16.462 7.577 1.00 49.72 H new ATOM 604 N GLY A 41 -3.365 16.824 3.822 1.00 49.53 N ATOM 605 CA GLY A 41 -3.457 17.183 2.412 1.00 49.98 C ATOM 606 C GLY A 41 -4.543 16.381 1.709 1.00 50.51 C ATOM 607 O GLY A 41 -5.158 15.496 2.303 1.00 49.49 O ATOM 0 H GLY A 41 -3.865 17.453 4.451 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -3.670 18.248 2.318 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -2.498 17.006 1.926 1.00 49.98 H new ATOM 611 N TYR A 42 -4.774 16.694 0.438 1.00 49.53 N ATOM 612 CA TYR A 42 -5.771 15.986 -0.357 1.00 50.07 C ATOM 613 C TYR A 42 -5.382 14.526 -0.554 1.00 50.51 C ATOM 614 O TYR A 42 -4.268 14.223 -0.980 1.00 49.49 O ATOM 615 CB TYR A 42 -5.957 16.669 -1.713 1.00 49.82 C ATOM 616 CG TYR A 42 -7.016 16.026 -2.582 1.00 50.00 C ATOM 617 CD1 TYR A 42 -8.365 16.245 -2.342 1.00 49.88 C ATOM 618 CD2 TYR A 42 -6.662 15.205 -3.643 1.00 49.88 C ATOM 619 CE1 TYR A 42 -9.335 15.661 -3.132 1.00 49.88 C ATOM 620 CE2 TYR A 42 -7.625 14.616 -4.441 1.00 49.88 C ATOM 621 CZ TYR A 42 -8.961 14.846 -4.182 1.00 50.11 C ATOM 622 OH TYR A 42 -9.923 14.263 -4.974 1.00 49.46 O ATOM 0 H TYR A 42 -4.284 17.434 -0.064 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.715 16.016 0.187 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -6.220 17.714 -1.550 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -5.007 16.659 -2.247 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -8.661 16.883 -1.523 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -5.617 15.023 -3.849 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -10.381 15.841 -2.930 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -7.333 13.979 -5.263 1.00 49.88 H new ATOM 0 HH TYR A 42 -9.533 13.506 -5.459 1.00 49.46 H new ATOM 632 N LYS A 43 -6.309 13.625 -0.246 1.00 49.53 N ATOM 633 CA LYS A 43 -6.055 12.195 -0.363 1.00 50.07 C ATOM 634 C LYS A 43 -5.833 11.792 -1.815 1.00 50.51 C ATOM 635 O LYS A 43 -6.766 11.778 -2.617 1.00 49.49 O ATOM 636 CB LYS A 43 -7.216 11.394 0.232 1.00 49.82 C ATOM 637 CG LYS A 43 -7.545 11.745 1.676 1.00 49.82 C ATOM 638 CD LYS A 43 -6.400 11.380 2.610 1.00 49.82 C ATOM 639 CE LYS A 43 -6.762 11.648 4.063 1.00 50.21 C ATOM 640 NZ LYS A 43 -5.675 11.236 4.992 1.00 49.70 N ATOM 0 H LYS A 43 -7.244 13.861 0.087 1.00 49.53 H new ATOM 0 HA LYS A 43 -5.146 11.971 0.196 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -8.104 11.554 -0.380 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -6.977 10.332 0.174 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -7.755 12.812 1.754 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -8.449 11.219 1.983 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -6.148 10.327 2.485 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -5.513 11.954 2.343 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -6.969 12.710 4.195 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -7.677 11.111 4.314 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -6.037 11.227 5.967 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -5.342 10.284 4.737 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -4.885 11.909 4.922 1.00 49.70 H new ATOM 654 N SER A 44 -4.588 11.465 -2.148 1.00 49.53 N ATOM 655 CA SER A 44 -4.241 11.051 -3.502 1.00 50.07 C ATOM 656 C SER A 44 -2.877 10.376 -3.540 1.00 50.51 C ATOM 657 O SER A 44 -2.050 10.574 -2.649 1.00 49.49 O ATOM 658 CB SER A 44 -4.264 12.247 -4.435 1.00 50.05 C ATOM 659 OG SER A 44 -3.266 13.180 -4.119 1.00 49.34 O ATOM 0 H SER A 44 -3.802 11.479 -1.498 1.00 49.53 H new ATOM 0 HA SER A 44 -4.983 10.325 -3.835 1.00 50.07 H new ATOM 0 HB2 SER A 44 -4.131 11.908 -5.462 1.00 50.05 H new ATOM 0 HB3 SER A 44 -5.240 12.729 -4.382 1.00 50.05 H new ATOM 0 HG SER A 44 -3.313 13.934 -4.744 1.00 49.34 H new ATOM 665 N LEU A 45 -2.646 9.575 -4.575 1.00 49.53 N ATOM 666 CA LEU A 45 -1.375 8.882 -4.739 1.00 50.07 C ATOM 667 C LEU A 45 -0.807 9.094 -6.138 1.00 50.51 C ATOM 668 O LEU A 45 -1.552 9.166 -7.115 1.00 49.49 O ATOM 669 CB LEU A 45 -1.547 7.384 -4.455 1.00 49.82 C ATOM 670 CG LEU A 45 -1.955 7.035 -3.018 1.00 49.91 C ATOM 671 CD1 LEU A 45 -2.326 5.561 -2.923 1.00 49.73 C ATOM 672 CD2 LEU A 45 -0.810 7.364 -2.070 1.00 49.73 C ATOM 0 H LEU A 45 -3.325 9.390 -5.314 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.668 9.300 -4.023 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.299 6.985 -5.136 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.609 6.877 -4.683 1.00 49.82 H new ATOM 0 HG LEU A 45 -2.827 7.625 -2.735 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -2.614 5.324 -1.899 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -3.160 5.352 -3.592 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -1.469 4.951 -3.210 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.100 7.116 -1.049 1.00 49.73 H new ATOM 0 HD22 LEU A 45 0.070 6.785 -2.348 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -0.579 8.427 -2.133 1.00 49.73 H new ATOM 684 N ASP A 46 0.514 9.194 -6.225 1.00 49.53 N ATOM 685 CA ASP A 46 1.183 9.408 -7.503 1.00 50.07 C ATOM 686 C ASP A 46 1.594 8.086 -8.138 1.00 50.51 C ATOM 687 O ASP A 46 1.934 7.131 -7.441 1.00 49.49 O ATOM 688 CB ASP A 46 2.409 10.307 -7.323 1.00 49.72 C ATOM 689 CG ASP A 46 2.082 11.768 -7.047 1.00 50.62 C ATOM 690 OD1 ASP A 46 0.944 12.142 -7.204 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.930 12.459 -6.534 1.00 49.24 O ATOM 0 H ASP A 46 1.144 9.130 -5.425 1.00 49.53 H new ATOM 0 HA ASP A 46 0.476 9.902 -8.170 1.00 50.07 H new ATOM 0 HB2 ASP A 46 3.010 9.920 -6.500 1.00 49.72 H new ATOM 0 HB3 ASP A 46 3.023 10.248 -8.222 1.00 49.72 H new ATOM 696 N GLU A 47 1.558 8.037 -9.465 1.00 49.53 N ATOM 697 CA GLU A 47 1.905 6.824 -10.197 1.00 50.07 C ATOM 698 C GLU A 47 3.377 6.474 -10.015 1.00 50.51 C ATOM 699 O GLU A 47 4.259 7.268 -10.338 1.00 49.49 O ATOM 700 CB GLU A 47 1.584 6.986 -11.685 1.00 49.82 C ATOM 701 CG GLU A 47 1.798 5.728 -12.515 1.00 49.72 C ATOM 702 CD GLU A 47 1.424 5.951 -13.953 1.00 50.62 C ATOM 703 OE1 GLU A 47 0.978 7.027 -14.270 1.00 49.24 O ATOM 704 OE2 GLU A 47 1.689 5.088 -14.757 1.00 49.24 O ATOM 0 H GLU A 47 1.292 8.824 -10.057 1.00 49.53 H new ATOM 0 HA GLU A 47 1.307 6.007 -9.792 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.546 7.302 -11.788 1.00 49.82 H new ATOM 0 HB3 GLU A 47 2.203 7.785 -12.093 1.00 49.82 H new ATOM 0 HG2 GLU A 47 2.842 5.422 -12.452 1.00 49.72 H new ATOM 0 HG3 GLU A 47 1.202 4.913 -12.104 1.00 49.72 H new ATOM 711 N GLY A 48 3.635 5.278 -9.495 1.00 49.53 N ATOM 712 CA GLY A 48 5.001 4.805 -9.302 1.00 49.98 C ATOM 713 C GLY A 48 5.547 5.239 -7.949 1.00 50.51 C ATOM 714 O GLY A 48 6.716 5.011 -7.639 1.00 49.49 O ATOM 0 H GLY A 48 2.915 4.618 -9.200 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.026 3.718 -9.376 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.639 5.193 -10.096 1.00 49.98 H new ATOM 718 N GLN A 49 4.694 5.864 -7.145 1.00 49.53 N ATOM 719 CA GLN A 49 5.092 6.330 -5.821 1.00 50.07 C ATOM 720 C GLN A 49 5.275 5.163 -4.859 1.00 50.51 C ATOM 721 O GLN A 49 4.372 4.345 -4.680 1.00 49.49 O ATOM 722 CB GLN A 49 4.049 7.302 -5.260 1.00 49.82 C ATOM 723 CG GLN A 49 4.391 7.858 -3.888 1.00 49.82 C ATOM 724 CD GLN A 49 3.415 8.928 -3.438 1.00 50.55 C ATOM 725 OE1 GLN A 49 2.473 9.272 -4.157 1.00 49.45 O ATOM 726 NE2 GLN A 49 3.636 9.464 -2.243 1.00 49.38 N ATOM 0 H GLN A 49 3.723 6.060 -7.387 1.00 49.53 H new ATOM 0 HA GLN A 49 6.046 6.846 -5.924 1.00 50.07 H new ATOM 0 HB2 GLN A 49 3.930 8.132 -5.957 1.00 49.82 H new ATOM 0 HB3 GLN A 49 3.087 6.793 -5.204 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.396 7.046 -3.161 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.398 8.274 -3.908 1.00 49.82 H new ATOM 0 HE21 GLN A 49 4.427 9.150 -1.681 1.00 49.38 H new ATOM 0 HE22 GLN A 49 3.014 10.190 -1.887 1.00 49.38 H new ATOM 735 N LYS A 50 6.448 5.092 -4.240 1.00 49.53 N ATOM 736 CA LYS A 50 6.723 4.076 -3.230 1.00 50.07 C ATOM 737 C LYS A 50 5.916 4.328 -1.963 1.00 50.51 C ATOM 738 O LYS A 50 5.980 5.409 -1.380 1.00 49.49 O ATOM 739 CB LYS A 50 8.217 4.035 -2.904 1.00 49.82 C ATOM 740 CG LYS A 50 9.093 3.514 -4.034 1.00 49.82 C ATOM 741 CD LYS A 50 10.562 3.511 -3.639 1.00 49.82 C ATOM 742 CE LYS A 50 11.436 2.957 -4.754 1.00 50.21 C ATOM 743 NZ LYS A 50 12.877 2.947 -4.380 1.00 49.70 N ATOM 0 H LYS A 50 7.225 5.727 -4.420 1.00 49.53 H new ATOM 0 HA LYS A 50 6.424 3.110 -3.638 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.546 5.040 -2.639 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.368 3.408 -2.025 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.784 2.503 -4.300 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.954 4.133 -4.920 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.877 4.526 -3.398 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.697 2.913 -2.738 1.00 49.82 H new ATOM 0 HE2 LYS A 50 11.117 1.943 -4.995 1.00 50.21 H new ATOM 0 HE3 LYS A 50 11.299 3.557 -5.654 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 13.437 2.562 -5.167 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 13.189 3.918 -4.175 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 13.013 2.354 -3.536 1.00 49.70 H new ATOM 757 N VAL A 51 5.156 3.322 -1.542 1.00 49.53 N ATOM 758 CA VAL A 51 4.299 3.448 -0.369 1.00 50.07 C ATOM 759 C VAL A 51 4.416 2.226 0.532 1.00 50.51 C ATOM 760 O VAL A 51 4.667 1.116 0.061 1.00 49.49 O ATOM 761 CB VAL A 51 2.823 3.642 -0.766 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.626 4.994 -1.437 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.367 2.520 -1.686 1.00 49.73 C ATOM 0 H VAL A 51 5.116 2.410 -1.996 1.00 49.53 H new ATOM 0 HA VAL A 51 4.638 4.330 0.175 1.00 50.07 H new ATOM 0 HB VAL A 51 2.216 3.614 0.139 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.578 5.115 -1.711 1.00 49.73 H new ATOM 0 HG12 VAL A 51 2.915 5.788 -0.748 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.244 5.049 -2.333 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.322 2.673 -1.956 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.979 2.518 -2.588 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.473 1.564 -1.174 1.00 49.73 H new ATOM 773 N SER A 52 4.232 2.436 1.831 1.00 49.53 N ATOM 774 CA SER A 52 4.152 1.333 2.781 1.00 50.07 C ATOM 775 C SER A 52 2.756 1.222 3.381 1.00 50.51 C ATOM 776 O SER A 52 2.167 2.221 3.794 1.00 49.49 O ATOM 777 CB SER A 52 5.185 1.513 3.877 1.00 50.05 C ATOM 778 OG SER A 52 5.069 0.537 4.875 1.00 49.34 O ATOM 0 H SER A 52 4.135 3.361 2.250 1.00 49.53 H new ATOM 0 HA SER A 52 4.360 0.407 2.245 1.00 50.07 H new ATOM 0 HB2 SER A 52 6.184 1.471 3.443 1.00 50.05 H new ATOM 0 HB3 SER A 52 5.072 2.502 4.322 1.00 50.05 H new ATOM 0 HG SER A 52 5.753 0.687 5.561 1.00 49.34 H new ATOM 784 N PHE A 53 2.234 0.001 3.427 1.00 49.53 N ATOM 785 CA PHE A 53 0.838 -0.220 3.788 1.00 50.07 C ATOM 786 C PHE A 53 0.638 -1.607 4.387 1.00 50.51 C ATOM 787 O PHE A 53 1.574 -2.402 4.462 1.00 49.49 O ATOM 788 CB PHE A 53 -0.065 -0.038 2.567 1.00 49.82 C ATOM 789 CG PHE A 53 0.357 -0.849 1.375 1.00 50.00 C ATOM 790 CD1 PHE A 53 1.333 -0.380 0.509 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.221 -2.084 1.119 1.00 49.88 C ATOM 792 CE1 PHE A 53 1.722 -1.125 -0.587 1.00 49.88 C ATOM 793 CE2 PHE A 53 0.167 -2.832 0.023 1.00 49.88 C ATOM 794 CZ PHE A 53 1.137 -2.352 -0.830 1.00 49.88 C ATOM 0 H PHE A 53 2.756 -0.850 3.219 1.00 49.53 H new ATOM 0 HA PHE A 53 0.566 0.519 4.542 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.085 -0.310 2.837 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.079 1.016 2.291 1.00 49.82 H new ATOM 0 HD1 PHE A 53 1.794 0.579 0.694 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -0.982 -2.465 1.783 1.00 49.88 H new ATOM 0 HE1 PHE A 53 2.483 -0.748 -1.254 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -0.290 -3.792 -0.165 1.00 49.88 H new ATOM 0 HZ PHE A 53 1.439 -2.935 -1.688 1.00 49.88 H new ATOM 804 N THR A 54 -0.589 -1.891 4.811 1.00 49.53 N ATOM 805 CA THR A 54 -0.941 -3.214 5.310 1.00 50.07 C ATOM 806 C THR A 54 -2.139 -3.784 4.563 1.00 50.51 C ATOM 807 O THR A 54 -3.003 -3.041 4.097 1.00 49.49 O ATOM 808 CB THR A 54 -1.254 -3.187 6.817 1.00 50.14 C ATOM 809 OG1 THR A 54 -2.345 -2.293 7.065 1.00 49.34 O ATOM 810 CG2 THR A 54 -0.037 -2.726 7.606 1.00 49.73 C ATOM 0 H THR A 54 -1.358 -1.220 4.819 1.00 49.53 H new ATOM 0 HA THR A 54 -0.074 -3.852 5.141 1.00 50.07 H new ATOM 0 HB THR A 54 -1.521 -4.195 7.135 1.00 50.14 H new ATOM 0 HG1 THR A 54 -2.849 -2.601 7.847 1.00 49.34 H new ATOM 0 HG21 THR A 54 -0.276 -2.713 8.669 1.00 49.73 H new ATOM 0 HG22 THR A 54 0.792 -3.411 7.429 1.00 49.73 H new ATOM 0 HG23 THR A 54 0.246 -1.723 7.285 1.00 49.73 H new ATOM 818 N ILE A 55 -2.187 -5.106 4.452 1.00 49.53 N ATOM 819 CA ILE A 55 -3.302 -5.781 3.796 1.00 50.07 C ATOM 820 C ILE A 55 -4.226 -6.436 4.816 1.00 50.51 C ATOM 821 O ILE A 55 -3.802 -7.297 5.589 1.00 49.49 O ATOM 822 CB ILE A 55 -2.811 -6.849 2.802 1.00 49.91 C ATOM 823 CG1 ILE A 55 -1.925 -6.211 1.729 1.00 49.82 C ATOM 824 CG2 ILE A 55 -3.990 -7.565 2.165 1.00 49.73 C ATOM 825 CD1 ILE A 55 -2.620 -5.141 0.919 1.00 49.73 C ATOM 0 H ILE A 55 -1.466 -5.733 4.808 1.00 49.53 H new ATOM 0 HA ILE A 55 -3.854 -5.017 3.249 1.00 50.07 H new ATOM 0 HB ILE A 55 -2.218 -7.583 3.347 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -1.046 -5.778 2.207 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -1.569 -6.990 1.055 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -3.624 -8.316 1.465 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -4.584 -8.049 2.940 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -4.609 -6.843 1.632 1.00 49.73 H new ATOM 0 HD11 ILE A 55 -1.928 -4.737 0.180 1.00 49.73 H new ATOM 0 HD12 ILE A 55 -3.483 -5.572 0.411 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -2.951 -4.341 1.581 1.00 49.73 H new ATOM 923 N ALA A 63 -7.787 -5.814 1.185 1.00 49.53 N ATOM 924 CA ALA A 63 -7.517 -4.511 0.592 1.00 50.07 C ATOM 925 C ALA A 63 -6.422 -3.775 1.353 1.00 50.51 C ATOM 926 O ALA A 63 -6.167 -4.058 2.523 1.00 49.49 O ATOM 927 CB ALA A 63 -8.789 -3.676 0.548 1.00 49.73 C ATOM 0 HA ALA A 63 -7.166 -4.671 -0.428 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.572 -2.705 0.102 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.541 -4.190 -0.051 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -9.166 -3.534 1.561 1.00 49.73 H new ATOM 933 N ALA A 64 -5.774 -2.830 0.680 1.00 49.53 N ATOM 934 CA ALA A 64 -4.676 -2.080 1.278 1.00 50.07 C ATOM 935 C ALA A 64 -5.195 -0.983 2.200 1.00 50.51 C ATOM 936 O ALA A 64 -6.159 -0.290 1.875 1.00 49.49 O ATOM 937 CB ALA A 64 -3.786 -1.488 0.194 1.00 49.73 C ATOM 0 H ALA A 64 -5.991 -2.565 -0.281 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.084 -2.771 1.879 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -2.971 -0.931 0.656 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.375 -2.291 -0.418 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.374 -0.818 -0.433 1.00 49.73 H new ATOM 943 N GLY A 65 -4.550 -0.832 3.351 1.00 49.53 N ATOM 944 CA GLY A 65 -4.877 0.247 4.275 1.00 49.98 C ATOM 945 C GLY A 65 -3.621 0.817 4.923 1.00 50.51 C ATOM 946 O GLY A 65 -2.518 0.311 4.713 1.00 49.49 O ATOM 0 H GLY A 65 -3.797 -1.444 3.667 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.406 1.038 3.743 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.552 -0.124 5.047 1.00 49.98 H new ATOM 950 N ASN A 66 -3.794 1.874 5.710 1.00 49.53 N ATOM 951 CA ASN A 66 -2.674 2.519 6.385 1.00 50.07 C ATOM 952 C ASN A 66 -1.578 2.894 5.395 1.00 50.51 C ATOM 953 O ASN A 66 -0.393 2.698 5.662 1.00 49.49 O ATOM 954 CB ASN A 66 -2.108 1.641 7.485 1.00 49.82 C ATOM 955 CG ASN A 66 -3.108 1.291 8.552 1.00 50.55 C ATOM 956 OD1 ASN A 66 -3.666 2.171 9.221 1.00 49.45 O ATOM 957 ND2 ASN A 66 -3.273 0.013 8.775 1.00 49.38 N ATOM 0 H ASN A 66 -4.701 2.302 5.896 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.056 3.432 6.842 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -1.724 0.721 7.043 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.262 2.151 7.945 1.00 49.82 H new ATOM 0 HD21 ASN A 66 -3.885 -0.298 9.529 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -2.790 -0.673 8.194 1.00 49.38 H new ATOM 964 N VAL A 67 -1.981 3.437 4.250 1.00 49.53 N ATOM 965 CA VAL A 67 -1.044 3.750 3.179 1.00 50.07 C ATOM 966 C VAL A 67 -0.266 5.024 3.484 1.00 50.51 C ATOM 967 O VAL A 67 -0.834 6.115 3.524 1.00 49.49 O ATOM 968 CB VAL A 67 -1.763 3.910 1.828 1.00 49.91 C ATOM 969 CG1 VAL A 67 -0.768 4.269 0.734 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.510 2.636 1.468 1.00 49.73 C ATOM 0 H VAL A 67 -2.952 3.669 4.041 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.351 2.912 3.113 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.486 4.721 1.917 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.294 4.378 -0.215 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.274 5.208 0.985 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.022 3.479 0.647 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.013 2.767 0.510 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.804 1.808 1.397 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.249 2.418 2.239 1.00 49.73 H new ATOM 980 N THR A 68 1.038 4.880 3.697 1.00 49.53 N ATOM 981 CA THR A 68 1.897 6.019 3.998 1.00 50.07 C ATOM 982 C THR A 68 3.056 6.111 3.014 1.00 50.51 C ATOM 983 O THR A 68 3.757 5.128 2.771 1.00 49.49 O ATOM 984 CB THR A 68 2.459 5.939 5.429 1.00 50.14 C ATOM 985 OG1 THR A 68 1.376 5.906 6.369 1.00 49.34 O ATOM 986 CG2 THR A 68 3.342 7.142 5.723 1.00 49.73 C ATOM 0 H THR A 68 1.524 3.984 3.667 1.00 49.53 H new ATOM 0 HA THR A 68 1.277 6.911 3.909 1.00 50.07 H new ATOM 0 HB THR A 68 3.056 5.032 5.519 1.00 50.14 H new ATOM 0 HG1 THR A 68 1.735 5.853 7.280 1.00 49.34 H new ATOM 0 HG21 THR A 68 3.730 7.069 6.739 1.00 49.73 H new ATOM 0 HG22 THR A 68 4.173 7.165 5.018 1.00 49.73 H new ATOM 0 HG23 THR A 68 2.757 8.056 5.624 1.00 49.73 H new ATOM 994 N SER A 69 3.252 7.297 2.448 1.00 49.53 N ATOM 995 CA SER A 69 4.317 7.516 1.476 1.00 50.07 C ATOM 996 C SER A 69 5.675 7.141 2.055 1.00 50.51 C ATOM 997 O SER A 69 5.968 7.434 3.215 1.00 49.49 O ATOM 998 CB SER A 69 4.317 8.962 1.021 1.00 50.05 C ATOM 999 OG SER A 69 5.366 9.232 0.129 1.00 49.34 O ATOM 0 H SER A 69 2.686 8.122 2.646 1.00 49.53 H new ATOM 0 HA SER A 69 4.131 6.873 0.616 1.00 50.07 H new ATOM 0 HB2 SER A 69 3.365 9.191 0.542 1.00 50.05 H new ATOM 0 HB3 SER A 69 4.402 9.615 1.889 1.00 50.05 H new ATOM 0 HG SER A 69 5.331 10.173 -0.142 1.00 49.34 H new ATOM 1005 N LEU A 70 6.501 6.493 1.241 1.00 49.53 N ATOM 1006 CA LEU A 70 7.845 6.110 1.660 1.00 50.07 C ATOM 1007 C LEU A 70 8.814 7.278 1.534 1.00 50.51 C ATOM 1008 O LEU A 70 9.999 7.149 1.840 1.00 49.49 O ATOM 1009 CB LEU A 70 8.338 4.916 0.830 1.00 49.82 C ATOM 1010 CG LEU A 70 9.643 4.277 1.320 1.00 49.91 C ATOM 1011 CD1 LEU A 70 9.448 3.695 2.713 1.00 49.73 C ATOM 1012 CD2 LEU A 70 10.078 3.196 0.341 1.00 49.73 C ATOM 0 H LEU A 70 6.264 6.222 0.287 1.00 49.53 H new ATOM 0 HA LEU A 70 7.803 5.820 2.710 1.00 50.07 H new ATOM 0 HB2 LEU A 70 7.559 4.153 0.821 1.00 49.82 H new ATOM 0 HB3 LEU A 70 8.476 5.242 -0.201 1.00 49.82 H new ATOM 0 HG LEU A 70 10.423 5.037 1.374 1.00 49.91 H new ATOM 0 HD11 LEU A 70 10.380 3.243 3.052 1.00 49.73 H new ATOM 0 HD12 LEU A 70 9.157 4.489 3.401 1.00 49.73 H new ATOM 0 HD13 LEU A 70 8.667 2.936 2.684 1.00 49.73 H new ATOM 0 HD21 LEU A 70 11.006 2.742 0.689 1.00 49.73 H new ATOM 0 HD22 LEU A 70 9.303 2.433 0.274 1.00 49.73 H new ATOM 0 HD23 LEU A 70 10.237 3.638 -0.642 1.00 49.73 H new