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 140:sc= 0.388 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.417 X(o=0.8,f=0.37) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.705 K(o=0.71,f=-4.6!) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 174:sc= -1.2 (180deg=-1.29) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.416 K(o=-0.42,f=-4.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 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 33 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.17) USER MOD Single : A 39 ASN : amide:sc= 0.521 K(o=0.52,f=-7.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 1.89 (180deg=1.83) 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 1.711 -6.738 6.475 1.00 49.53 N ATOM 37 CA LYS A 4 2.360 -5.466 6.188 1.00 50.07 C ATOM 38 C LYS A 4 3.467 -5.633 5.154 1.00 50.51 C ATOM 39 O LYS A 4 4.307 -6.526 5.268 1.00 49.49 O ATOM 40 CB LYS A 4 2.927 -4.851 7.469 1.00 49.82 C ATOM 41 CG LYS A 4 3.581 -3.489 7.278 1.00 49.82 C ATOM 42 CD LYS A 4 4.151 -2.961 8.586 1.00 49.82 C ATOM 43 CE LYS A 4 4.830 -1.613 8.391 1.00 50.21 C ATOM 44 NZ LYS A 4 5.378 -1.077 9.664 1.00 49.70 N ATOM 0 HA LYS A 4 1.607 -4.794 5.776 1.00 50.07 H new ATOM 0 HB2 LYS A 4 2.123 -4.755 8.198 1.00 49.82 H new ATOM 0 HB3 LYS A 4 3.661 -5.537 7.893 1.00 49.82 H new ATOM 0 HG2 LYS A 4 4.377 -3.566 6.537 1.00 49.82 H new ATOM 0 HG3 LYS A 4 2.848 -2.783 6.887 1.00 49.82 H new ATOM 0 HD2 LYS A 4 3.352 -2.865 9.321 1.00 49.82 H new ATOM 0 HD3 LYS A 4 4.868 -3.677 8.988 1.00 49.82 H new ATOM 0 HE2 LYS A 4 5.636 -1.715 7.664 1.00 50.21 H new ATOM 0 HE3 LYS A 4 4.114 -0.903 7.977 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 5.832 -0.158 9.487 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 4.606 -0.955 10.350 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 6.080 -1.742 10.047 1.00 49.70 H new ATOM 58 N MET A 5 3.462 -4.769 4.144 1.00 49.53 N ATOM 59 CA MET A 5 4.456 -4.830 3.080 1.00 50.07 C ATOM 60 C MET A 5 4.566 -3.496 2.352 1.00 50.51 C ATOM 61 O MET A 5 3.657 -2.668 2.412 1.00 49.49 O ATOM 62 CB MET A 5 4.106 -5.942 2.094 1.00 49.82 C ATOM 63 CG MET A 5 2.894 -5.651 1.220 1.00 49.86 C ATOM 64 SD MET A 5 1.349 -5.666 2.150 1.00 49.91 S ATOM 65 CE MET A 5 1.195 -7.411 2.523 1.00 49.78 C ATOM 0 H MET A 5 2.780 -4.018 4.041 1.00 49.53 H new ATOM 0 HA MET A 5 5.423 -5.048 3.533 1.00 50.07 H new ATOM 0 HB2 MET A 5 4.967 -6.124 1.451 1.00 49.82 H new ATOM 0 HB3 MET A 5 3.924 -6.861 2.651 1.00 49.82 H new ATOM 0 HG2 MET A 5 3.018 -4.678 0.745 1.00 49.86 H new ATOM 0 HG3 MET A 5 2.840 -6.391 0.421 1.00 49.86 H new ATOM 0 HE1 MET A 5 0.344 -7.568 3.186 1.00 49.78 H new ATOM 0 HE2 MET A 5 1.043 -7.969 1.599 1.00 49.78 H new ATOM 0 HE3 MET A 5 2.104 -7.760 3.012 1.00 49.78 H new ATOM 75 N THR A 6 5.684 -3.294 1.664 1.00 49.53 N ATOM 76 CA THR A 6 5.871 -2.106 0.838 1.00 50.07 C ATOM 77 C THR A 6 5.644 -2.418 -0.635 1.00 50.51 C ATOM 78 O THR A 6 5.615 -3.582 -1.036 1.00 49.49 O ATOM 79 CB THR A 6 7.281 -1.512 1.014 1.00 50.14 C ATOM 80 OG1 THR A 6 8.261 -2.456 0.561 1.00 49.34 O ATOM 81 CG2 THR A 6 7.541 -1.181 2.477 1.00 49.73 C ATOM 0 H THR A 6 6.475 -3.938 1.662 1.00 49.53 H new ATOM 0 HA THR A 6 5.134 -1.374 1.169 1.00 50.07 H new ATOM 0 HB THR A 6 7.349 -0.597 0.426 1.00 50.14 H new ATOM 0 HG1 THR A 6 9.157 -2.076 0.672 1.00 49.34 H new ATOM 0 HG21 THR A 6 8.542 -0.762 2.583 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.805 -0.454 2.822 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.462 -2.089 3.075 1.00 49.73 H new ATOM 89 N GLY A 7 5.483 -1.372 -1.438 1.00 49.53 N ATOM 90 CA GLY A 7 5.264 -1.532 -2.871 1.00 49.98 C ATOM 91 C GLY A 7 5.122 -0.181 -3.561 1.00 50.51 C ATOM 92 O GLY A 7 5.501 0.851 -3.008 1.00 49.49 O ATOM 0 H GLY A 7 5.500 -0.403 -1.120 1.00 49.53 H new ATOM 0 HA2 GLY A 7 6.097 -2.082 -3.310 1.00 49.98 H new ATOM 0 HA3 GLY A 7 4.366 -2.126 -3.040 1.00 49.98 H new ATOM 96 N ILE A 8 4.574 -0.195 -4.771 1.00 49.53 N ATOM 97 CA ILE A 8 4.345 1.033 -5.522 1.00 50.07 C ATOM 98 C ILE A 8 2.885 1.157 -5.942 1.00 50.51 C ATOM 99 O ILE A 8 2.200 0.155 -6.141 1.00 49.49 O ATOM 100 CB ILE A 8 5.235 1.104 -6.775 1.00 49.91 C ATOM 101 CG1 ILE A 8 4.964 -0.090 -7.694 1.00 49.82 C ATOM 102 CG2 ILE A 8 6.704 1.152 -6.380 1.00 49.73 C ATOM 103 CD1 ILE A 8 5.638 0.010 -9.043 1.00 49.73 C ATOM 0 H ILE A 8 4.280 -1.044 -5.253 1.00 49.53 H new ATOM 0 HA ILE A 8 4.602 1.859 -4.858 1.00 50.07 H new ATOM 0 HB ILE A 8 4.994 2.017 -7.319 1.00 49.91 H new ATOM 0 HG12 ILE A 8 5.299 -1.001 -7.198 1.00 49.82 H new ATOM 0 HG13 ILE A 8 3.888 -0.185 -7.842 1.00 49.82 H new ATOM 0 HG21 ILE A 8 7.321 1.202 -7.277 1.00 49.73 H new ATOM 0 HG22 ILE A 8 6.887 2.033 -5.765 1.00 49.73 H new ATOM 0 HG23 ILE A 8 6.958 0.255 -5.815 1.00 49.73 H new ATOM 0 HD11 ILE A 8 5.398 -0.873 -9.636 1.00 49.73 H new ATOM 0 HD12 ILE A 8 5.285 0.902 -9.561 1.00 49.73 H new ATOM 0 HD13 ILE A 8 6.718 0.073 -8.907 1.00 49.73 H new ATOM 115 N VAL A 9 2.416 2.394 -6.073 1.00 49.53 N ATOM 116 CA VAL A 9 1.067 2.653 -6.561 1.00 50.07 C ATOM 117 C VAL A 9 0.966 2.400 -8.059 1.00 50.51 C ATOM 118 O VAL A 9 1.588 3.098 -8.861 1.00 49.49 O ATOM 119 CB VAL A 9 0.627 4.099 -6.264 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.776 4.350 -6.798 1.00 49.73 C ATOM 121 CG2 VAL A 9 0.682 4.376 -4.769 1.00 49.73 C ATOM 0 H VAL A 9 2.951 3.233 -5.848 1.00 49.53 H new ATOM 0 HA VAL A 9 0.405 1.966 -6.034 1.00 50.07 H new ATOM 0 HB VAL A 9 1.315 4.778 -6.768 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -1.070 5.376 -6.579 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.789 4.191 -7.876 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -1.475 3.663 -6.321 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.368 5.402 -4.577 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.016 3.689 -4.247 1.00 49.73 H new ATOM 0 HG23 VAL A 9 1.702 4.236 -4.410 1.00 49.73 H new ATOM 131 N LYS A 10 0.176 1.398 -8.433 1.00 49.53 N ATOM 132 CA LYS A 10 0.059 0.994 -9.829 1.00 50.07 C ATOM 133 C LYS A 10 -0.886 1.915 -10.591 1.00 50.51 C ATOM 134 O LYS A 10 -0.673 2.200 -11.770 1.00 49.49 O ATOM 135 CB LYS A 10 -0.422 -0.454 -9.929 1.00 49.82 C ATOM 136 CG LYS A 10 -0.496 -0.994 -11.352 1.00 49.82 C ATOM 137 CD LYS A 10 -0.833 -2.478 -11.363 1.00 49.82 C ATOM 138 CE LYS A 10 -0.916 -3.017 -12.783 1.00 50.21 C ATOM 139 NZ LYS A 10 -1.209 -4.476 -12.809 1.00 49.70 N ATOM 0 H LYS A 10 -0.393 0.851 -7.787 1.00 49.53 H new ATOM 0 HA LYS A 10 1.047 1.070 -10.282 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.247 -1.088 -9.347 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -1.409 -0.529 -9.473 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -1.251 -0.443 -11.914 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.457 -0.832 -11.855 1.00 49.82 H new ATOM 0 HD2 LYS A 10 -0.075 -3.029 -10.807 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -1.783 -2.641 -10.854 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -1.692 -2.481 -13.329 1.00 50.21 H new ATOM 0 HE3 LYS A 10 0.025 -2.827 -13.299 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 -1.257 -4.803 -13.795 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 -0.455 -4.990 -12.310 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -2.120 -4.656 -12.340 1.00 49.70 H new ATOM 153 N TRP A 11 -1.930 2.376 -9.912 1.00 49.53 N ATOM 154 CA TRP A 11 -2.914 3.258 -10.526 1.00 50.07 C ATOM 155 C TRP A 11 -3.666 4.063 -9.473 1.00 50.51 C ATOM 156 O TRP A 11 -3.854 3.605 -8.345 1.00 49.49 O ATOM 157 CB TRP A 11 -3.902 2.450 -11.370 1.00 49.82 C ATOM 158 CG TRP A 11 -5.115 3.227 -11.781 1.00 49.97 C ATOM 159 CD1 TRP A 11 -6.372 3.109 -11.268 1.00 50.03 C ATOM 160 CD2 TRP A 11 -5.187 4.241 -12.790 1.00 49.98 C ATOM 161 NE1 TRP A 11 -7.223 3.985 -11.893 1.00 49.39 N ATOM 162 CE2 TRP A 11 -6.517 4.695 -12.832 1.00 50.13 C ATOM 163 CE3 TRP A 11 -4.251 4.813 -13.662 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -6.940 5.684 -13.708 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -4.674 5.806 -14.539 1.00 49.88 C ATOM 166 CH2 TRP A 11 -5.979 6.229 -14.559 1.00 49.88 C ATOM 0 H TRP A 11 -2.117 2.153 -8.934 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.380 3.955 -11.172 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -3.393 2.088 -12.263 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -4.217 1.573 -10.805 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -6.657 2.425 -10.483 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -8.217 4.091 -11.693 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -3.221 4.489 -13.653 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -7.967 6.017 -13.730 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -3.962 6.253 -15.217 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -6.270 7.005 -15.252 1.00 49.88 H new ATOM 177 N PHE A 12 -4.094 5.264 -9.848 1.00 49.53 N ATOM 178 CA PHE A 12 -4.941 6.079 -8.984 1.00 50.07 C ATOM 179 C PHE A 12 -5.805 7.031 -9.800 1.00 50.51 C ATOM 180 O PHE A 12 -5.292 7.881 -10.528 1.00 49.49 O ATOM 181 CB PHE A 12 -4.086 6.866 -7.987 1.00 49.82 C ATOM 182 CG PHE A 12 -4.886 7.568 -6.927 1.00 50.00 C ATOM 183 CD1 PHE A 12 -5.351 6.877 -5.818 1.00 49.88 C ATOM 184 CD2 PHE A 12 -5.174 8.920 -7.038 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.087 7.523 -4.842 1.00 49.88 C ATOM 186 CE2 PHE A 12 -5.907 9.568 -6.062 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.364 8.869 -4.964 1.00 49.88 C ATOM 0 H PHE A 12 -3.868 5.695 -10.745 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.601 5.409 -8.433 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.383 6.185 -7.508 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -3.495 7.603 -8.531 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.136 5.824 -5.716 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -4.822 9.472 -7.896 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -6.445 6.974 -3.984 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -6.122 10.622 -6.159 1.00 49.88 H new ATOM 0 HZ PHE A 12 -6.938 9.375 -4.201 1.00 49.88 H new ATOM 197 N ASN A 13 -7.119 6.883 -9.675 1.00 49.53 N ATOM 198 CA ASN A 13 -8.057 7.794 -10.321 1.00 50.07 C ATOM 199 C ASN A 13 -8.639 8.785 -9.322 1.00 50.51 C ATOM 200 O ASN A 13 -9.518 8.440 -8.530 1.00 49.49 O ATOM 201 CB ASN A 13 -9.172 7.038 -11.021 1.00 49.82 C ATOM 202 CG ASN A 13 -10.169 7.930 -11.707 1.00 50.55 C ATOM 203 OD1 ASN A 13 -9.903 9.109 -11.967 1.00 49.45 O ATOM 204 ND2 ASN A 13 -11.342 7.397 -11.932 1.00 49.38 N ATOM 0 H ASN A 13 -7.559 6.140 -9.132 1.00 49.53 H new ATOM 0 HA ASN A 13 -7.498 8.351 -11.074 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -8.735 6.363 -11.757 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -9.693 6.419 -10.291 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -12.088 7.960 -12.340 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -11.511 6.418 -11.699 1.00 49.38 H new ATOM 211 N ALA A 14 -8.146 10.018 -9.360 1.00 49.53 N ATOM 212 CA ALA A 14 -8.536 11.031 -8.388 1.00 50.07 C ATOM 213 C ALA A 14 -10.034 11.307 -8.451 1.00 50.51 C ATOM 214 O ALA A 14 -10.628 11.774 -7.479 1.00 49.49 O ATOM 215 CB ALA A 14 -7.748 12.314 -8.614 1.00 49.73 C ATOM 0 H ALA A 14 -7.474 10.340 -10.056 1.00 49.53 H new ATOM 0 HA ALA A 14 -8.307 10.650 -7.393 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -8.051 13.061 -7.880 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -6.683 12.110 -8.506 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -7.946 12.690 -9.618 1.00 49.73 H new ATOM 221 N ASP A 15 -10.636 11.016 -9.597 1.00 49.53 N ATOM 222 CA ASP A 15 -12.059 11.263 -9.800 1.00 50.07 C ATOM 223 C ASP A 15 -12.902 10.479 -8.802 1.00 50.51 C ATOM 224 O ASP A 15 -14.001 10.899 -8.441 1.00 49.49 O ATOM 225 CB ASP A 15 -12.468 10.904 -11.231 1.00 49.72 C ATOM 226 CG ASP A 15 -11.981 11.885 -12.289 1.00 50.62 C ATOM 227 OD1 ASP A 15 -11.542 12.950 -11.926 1.00 49.24 O ATOM 228 OD2 ASP A 15 -11.905 11.504 -13.433 1.00 49.24 O ATOM 0 H ASP A 15 -10.161 10.608 -10.402 1.00 49.53 H new ATOM 0 HA ASP A 15 -12.239 12.326 -9.637 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -12.083 9.912 -11.468 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -13.555 10.844 -11.281 1.00 49.72 H new ATOM 233 N LYS A 16 -12.380 9.340 -8.361 1.00 49.53 N ATOM 234 CA LYS A 16 -13.081 8.498 -7.399 1.00 50.07 C ATOM 235 C LYS A 16 -12.293 8.368 -6.102 1.00 50.51 C ATOM 236 O LYS A 16 -12.843 8.005 -5.063 1.00 49.49 O ATOM 237 CB LYS A 16 -13.349 7.114 -7.992 1.00 49.82 C ATOM 238 CG LYS A 16 -14.258 7.119 -9.214 1.00 49.82 C ATOM 239 CD LYS A 16 -14.478 5.711 -9.747 1.00 49.82 C ATOM 240 CE LYS A 16 -15.375 5.716 -10.975 1.00 50.21 C ATOM 241 NZ LYS A 16 -15.558 4.350 -11.537 1.00 49.70 N ATOM 0 H LYS A 16 -11.473 8.978 -8.655 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.034 8.976 -7.172 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.397 6.658 -8.264 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -13.796 6.483 -7.224 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -15.218 7.565 -8.954 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.818 7.741 -9.994 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -13.517 5.261 -9.998 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -14.926 5.092 -8.970 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -16.347 6.133 -10.712 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -14.944 6.367 -11.736 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -16.176 4.398 -12.372 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -14.634 3.961 -11.812 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -15.993 3.735 -10.820 1.00 49.70 H new ATOM 255 N GLY A 17 -10.999 8.666 -6.171 1.00 49.53 N ATOM 256 CA GLY A 17 -10.109 8.476 -5.031 1.00 49.98 C ATOM 257 C GLY A 17 -9.663 7.024 -4.915 1.00 50.51 C ATOM 258 O GLY A 17 -9.035 6.634 -3.932 1.00 49.49 O ATOM 0 H GLY A 17 -10.544 9.040 -7.004 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -9.236 9.120 -5.137 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -10.618 8.777 -4.115 1.00 49.98 H new ATOM 262 N PHE A 18 -9.993 6.227 -5.926 1.00 49.53 N ATOM 263 CA PHE A 18 -9.695 4.800 -5.907 1.00 50.07 C ATOM 264 C PHE A 18 -8.558 4.462 -6.861 1.00 50.51 C ATOM 265 O PHE A 18 -8.382 5.115 -7.890 1.00 49.49 O ATOM 266 CB PHE A 18 -10.941 3.989 -6.264 1.00 49.82 C ATOM 267 CG PHE A 18 -12.109 4.237 -5.353 1.00 50.00 C ATOM 268 CD1 PHE A 18 -11.918 4.771 -4.087 1.00 49.88 C ATOM 269 CD2 PHE A 18 -13.401 3.938 -5.759 1.00 49.88 C ATOM 270 CE1 PHE A 18 -12.992 5.001 -3.248 1.00 49.88 C ATOM 271 CE2 PHE A 18 -14.476 4.166 -4.923 1.00 49.88 C ATOM 272 CZ PHE A 18 -14.270 4.698 -3.666 1.00 49.88 C ATOM 0 H PHE A 18 -10.468 6.546 -6.770 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.380 4.538 -4.897 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -11.234 4.223 -7.287 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.692 2.928 -6.239 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -10.919 5.010 -3.753 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -13.568 3.522 -6.741 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -12.830 5.418 -2.265 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -15.477 3.928 -5.252 1.00 49.88 H new ATOM 0 HZ PHE A 18 -15.110 4.877 -3.011 1.00 49.88 H new ATOM 282 N GLY A 19 -7.785 3.439 -6.514 1.00 49.53 N ATOM 283 CA GLY A 19 -6.665 3.008 -7.343 1.00 49.98 C ATOM 284 C GLY A 19 -6.194 1.613 -6.952 1.00 50.51 C ATOM 285 O GLY A 19 -6.896 0.885 -6.250 1.00 49.49 O ATOM 0 H GLY A 19 -7.914 2.892 -5.663 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.962 3.014 -8.392 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.841 3.714 -7.241 1.00 49.98 H new ATOM 289 N PHE A 20 -5.003 1.246 -7.409 1.00 49.53 N ATOM 290 CA PHE A 20 -4.437 -0.064 -7.111 1.00 50.07 C ATOM 291 C PHE A 20 -2.989 0.053 -6.650 1.00 50.51 C ATOM 292 O PHE A 20 -2.207 0.818 -7.216 1.00 49.49 O ATOM 293 CB PHE A 20 -4.526 -0.977 -8.335 1.00 49.82 C ATOM 294 CG PHE A 20 -5.932 -1.228 -8.801 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.679 -2.270 -8.270 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.511 -0.424 -9.771 1.00 49.88 C ATOM 297 CE1 PHE A 20 -7.970 -2.504 -8.698 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.804 -0.656 -10.201 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.534 -1.695 -9.663 1.00 49.88 C ATOM 0 H PHE A 20 -4.409 1.839 -7.989 1.00 49.53 H new ATOM 0 HA PHE A 20 -5.019 -0.501 -6.300 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -3.956 -0.532 -9.151 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -4.055 -1.931 -8.100 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -6.245 -2.906 -7.513 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -5.945 0.392 -10.195 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -8.539 -3.320 -8.278 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -8.243 -0.023 -10.958 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.545 -1.875 -9.996 1.00 49.88 H new ATOM 309 N ILE A 21 -2.638 -0.708 -5.620 1.00 49.53 N ATOM 310 CA ILE A 21 -1.272 -0.727 -5.111 1.00 50.07 C ATOM 311 C ILE A 21 -0.716 -2.145 -5.076 1.00 50.51 C ATOM 312 O ILE A 21 -1.395 -3.078 -4.648 1.00 49.49 O ATOM 313 CB ILE A 21 -1.187 -0.117 -3.699 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.664 1.338 -3.717 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.234 -0.208 -3.166 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.716 1.979 -2.349 1.00 49.73 C ATOM 0 H ILE A 21 -3.282 -1.321 -5.120 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.674 -0.123 -5.794 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.839 -0.685 -3.035 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -1.000 1.920 -4.356 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.656 1.380 -4.166 1.00 49.82 H new ATOM 0 HG21 ILE A 21 0.277 0.227 -2.168 1.00 49.73 H new ATOM 0 HG22 ILE A 21 0.539 -1.253 -3.119 1.00 49.73 H new ATOM 0 HG23 ILE A 21 0.907 0.337 -3.828 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -2.063 3.008 -2.442 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -2.402 1.421 -1.712 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.721 1.970 -1.905 1.00 49.73 H new ATOM 328 N THR A 22 0.524 -2.300 -5.528 1.00 49.53 N ATOM 329 CA THR A 22 1.167 -3.608 -5.564 1.00 50.07 C ATOM 330 C THR A 22 2.676 -3.484 -5.397 1.00 50.51 C ATOM 331 O THR A 22 3.287 -2.532 -5.880 1.00 49.49 O ATOM 332 CB THR A 22 0.866 -4.350 -6.879 1.00 50.14 C ATOM 333 OG1 THR A 22 1.460 -5.654 -6.842 1.00 49.34 O ATOM 334 CG2 THR A 22 1.421 -3.578 -8.068 1.00 49.73 C ATOM 0 H THR A 22 1.104 -1.536 -5.875 1.00 49.53 H new ATOM 0 HA THR A 22 0.758 -4.182 -4.732 1.00 50.07 H new ATOM 0 HB THR A 22 -0.215 -4.438 -6.989 1.00 50.14 H new ATOM 0 HG1 THR A 22 1.266 -6.126 -7.679 1.00 49.34 H new ATOM 0 HG21 THR A 22 1.199 -4.118 -8.988 1.00 49.73 H new ATOM 0 HG22 THR A 22 0.962 -2.590 -8.107 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.501 -3.472 -7.961 1.00 49.73 H new ATOM 342 N PRO A 23 3.272 -4.453 -4.711 1.00 49.71 N ATOM 343 CA PRO A 23 4.724 -4.541 -4.614 1.00 50.02 C ATOM 344 C PRO A 23 5.352 -4.815 -5.974 1.00 50.51 C ATOM 345 O PRO A 23 4.673 -5.248 -6.907 1.00 49.49 O ATOM 346 CB PRO A 23 4.964 -5.693 -3.623 1.00 49.82 C ATOM 347 CG PRO A 23 3.677 -5.820 -2.856 1.00 49.82 C ATOM 348 CD PRO A 23 2.598 -5.500 -3.932 1.00 50.00 C ATOM 0 HA PRO A 23 5.182 -3.611 -4.276 1.00 50.02 H new ATOM 0 HB2 PRO A 23 5.206 -6.619 -4.145 1.00 49.82 H new ATOM 0 HB3 PRO A 23 5.800 -5.474 -2.958 1.00 49.82 H new ATOM 0 HG2 PRO A 23 3.550 -6.820 -2.442 1.00 49.82 H new ATOM 0 HG3 PRO A 23 3.634 -5.121 -2.020 1.00 49.82 H new ATOM 0 HD2 PRO A 23 2.352 -6.371 -4.540 1.00 50.00 H new ATOM 0 HD3 PRO A 23 1.667 -5.148 -3.489 1.00 50.00 H new ATOM 356 N ASP A 24 6.652 -4.561 -6.083 1.00 49.53 N ATOM 357 CA ASP A 24 7.361 -4.723 -7.345 1.00 50.07 C ATOM 358 C ASP A 24 7.330 -6.173 -7.813 1.00 50.51 C ATOM 359 O ASP A 24 7.459 -6.453 -9.005 1.00 49.49 O ATOM 360 CB ASP A 24 8.810 -4.245 -7.213 1.00 49.72 C ATOM 361 CG ASP A 24 8.968 -2.733 -7.134 1.00 50.62 C ATOM 362 OD1 ASP A 24 8.019 -2.042 -7.414 1.00 49.24 O ATOM 363 OD2 ASP A 24 9.980 -2.287 -6.648 1.00 49.24 O ATOM 0 H ASP A 24 7.236 -4.242 -5.310 1.00 49.53 H new ATOM 0 HA ASP A 24 6.853 -4.112 -8.092 1.00 50.07 H new ATOM 0 HB2 ASP A 24 9.247 -4.691 -6.320 1.00 49.72 H new ATOM 0 HB3 ASP A 24 9.381 -4.614 -8.065 1.00 49.72 H new ATOM 368 N ASP A 25 7.157 -7.090 -6.867 1.00 49.53 N ATOM 369 CA ASP A 25 7.096 -8.513 -7.182 1.00 50.07 C ATOM 370 C ASP A 25 5.942 -8.818 -8.130 1.00 50.51 C ATOM 371 O ASP A 25 6.005 -9.765 -8.915 1.00 49.49 O ATOM 372 CB ASP A 25 6.955 -9.339 -5.901 1.00 49.72 C ATOM 373 CG ASP A 25 8.223 -9.415 -5.060 1.00 50.62 C ATOM 374 OD1 ASP A 25 9.261 -9.038 -5.551 1.00 49.24 O ATOM 375 OD2 ASP A 25 8.119 -9.697 -3.890 1.00 49.24 O ATOM 0 H ASP A 25 7.056 -6.873 -5.875 1.00 49.53 H new ATOM 0 HA ASP A 25 8.027 -8.785 -7.679 1.00 50.07 H new ATOM 0 HB2 ASP A 25 6.156 -8.913 -5.294 1.00 49.72 H new ATOM 0 HB3 ASP A 25 6.649 -10.351 -6.167 1.00 49.72 H new ATOM 380 N GLY A 26 4.890 -8.010 -8.052 1.00 49.53 N ATOM 381 CA GLY A 26 3.711 -8.206 -8.889 1.00 49.98 C ATOM 382 C GLY A 26 2.565 -8.815 -8.091 1.00 50.51 C ATOM 383 O GLY A 26 1.395 -8.557 -8.372 1.00 49.49 O ATOM 0 H GLY A 26 4.829 -7.213 -7.418 1.00 49.53 H new ATOM 0 HA2 GLY A 26 3.397 -7.251 -9.310 1.00 49.98 H new ATOM 0 HA3 GLY A 26 3.961 -8.857 -9.727 1.00 49.98 H new ATOM 387 N SER A 27 2.909 -9.624 -7.096 1.00 49.53 N ATOM 388 CA SER A 27 1.911 -10.220 -6.215 1.00 50.07 C ATOM 389 C SER A 27 1.367 -9.197 -5.228 1.00 50.51 C ATOM 390 O SER A 27 1.775 -8.036 -5.232 1.00 49.49 O ATOM 391 CB SER A 27 2.508 -11.402 -5.476 1.00 50.05 C ATOM 392 OG SER A 27 3.489 -11.007 -4.555 1.00 49.34 O ATOM 0 H SER A 27 3.871 -9.883 -6.879 1.00 49.53 H new ATOM 0 HA SER A 27 1.080 -10.568 -6.828 1.00 50.07 H new ATOM 0 HB2 SER A 27 1.717 -11.940 -4.954 1.00 50.05 H new ATOM 0 HB3 SER A 27 2.944 -12.096 -6.195 1.00 50.05 H new ATOM 0 HG SER A 27 3.847 -11.797 -4.099 1.00 49.34 H new ATOM 398 N LYS A 28 0.440 -9.634 -4.381 1.00 49.53 N ATOM 399 CA LYS A 28 -0.146 -8.764 -3.368 1.00 50.07 C ATOM 400 C LYS A 28 -0.733 -7.507 -3.997 1.00 50.51 C ATOM 401 O LYS A 28 -0.687 -6.426 -3.408 1.00 49.49 O ATOM 402 CB LYS A 28 0.899 -8.387 -2.318 1.00 49.82 C ATOM 403 CG LYS A 28 1.510 -9.573 -1.583 1.00 49.82 C ATOM 404 CD LYS A 28 2.685 -9.144 -0.720 1.00 49.82 C ATOM 405 CE LYS A 28 3.339 -10.339 -0.038 1.00 50.21 C ATOM 406 NZ LYS A 28 4.529 -9.942 0.761 1.00 49.70 N ATOM 0 H LYS A 28 0.078 -10.588 -4.377 1.00 49.53 H new ATOM 0 HA LYS A 28 -0.954 -9.312 -2.883 1.00 50.07 H new ATOM 0 HB2 LYS A 28 1.697 -7.826 -2.803 1.00 49.82 H new ATOM 0 HB3 LYS A 28 0.439 -7.721 -1.588 1.00 49.82 H new ATOM 0 HG2 LYS A 28 0.752 -10.046 -0.959 1.00 49.82 H new ATOM 0 HG3 LYS A 28 1.840 -10.320 -2.305 1.00 49.82 H new ATOM 0 HD2 LYS A 28 3.421 -8.627 -1.336 1.00 49.82 H new ATOM 0 HD3 LYS A 28 2.345 -8.434 0.034 1.00 49.82 H new ATOM 0 HE2 LYS A 28 2.613 -10.828 0.612 1.00 50.21 H new ATOM 0 HE3 LYS A 28 3.635 -11.069 -0.791 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 4.944 -10.784 1.208 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 5.234 -9.499 0.138 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 4.243 -9.265 1.497 1.00 49.70 H new ATOM 420 N ASP A 29 -1.286 -7.653 -5.197 1.00 49.53 N ATOM 421 CA ASP A 29 -1.910 -6.535 -5.894 1.00 50.07 C ATOM 422 C ASP A 29 -3.351 -6.338 -5.443 1.00 50.51 C ATOM 423 O ASP A 29 -4.234 -7.125 -5.787 1.00 49.49 O ATOM 424 CB ASP A 29 -1.859 -6.753 -7.409 1.00 49.72 C ATOM 425 CG ASP A 29 -2.466 -5.622 -8.228 1.00 50.62 C ATOM 426 OD1 ASP A 29 -3.028 -4.727 -7.642 1.00 49.24 O ATOM 427 OD2 ASP A 29 -2.232 -5.581 -9.411 1.00 49.24 O ATOM 0 H ASP A 29 -1.314 -8.536 -5.707 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.350 -5.634 -5.646 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -0.820 -6.886 -7.710 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -2.381 -7.679 -7.648 1.00 49.72 H new ATOM 432 N VAL A 30 -3.585 -5.284 -4.668 1.00 49.53 N ATOM 433 CA VAL A 30 -4.903 -5.026 -4.102 1.00 50.07 C ATOM 434 C VAL A 30 -5.345 -3.593 -4.368 1.00 50.51 C ATOM 435 O VAL A 30 -4.517 -2.697 -4.532 1.00 49.49 O ATOM 436 CB VAL A 30 -4.928 -5.288 -2.584 1.00 49.91 C ATOM 437 CG1 VAL A 30 -4.652 -6.755 -2.293 1.00 49.73 C ATOM 438 CG2 VAL A 30 -3.913 -4.404 -1.875 1.00 49.73 C ATOM 0 H VAL A 30 -2.877 -4.594 -4.418 1.00 49.53 H new ATOM 0 HA VAL A 30 -5.594 -5.713 -4.590 1.00 50.07 H new ATOM 0 HB VAL A 30 -5.921 -5.043 -2.207 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -4.673 -6.923 -1.216 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -5.414 -7.370 -2.771 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -3.671 -7.025 -2.683 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -3.944 -4.602 -0.804 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -2.914 -4.619 -2.255 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -4.153 -3.356 -2.058 1.00 49.73 H new ATOM 448 N PHE A 31 -6.656 -3.382 -4.408 1.00 49.53 N ATOM 449 CA PHE A 31 -7.212 -2.052 -4.634 1.00 50.07 C ATOM 450 C PHE A 31 -7.118 -1.196 -3.377 1.00 50.51 C ATOM 451 O PHE A 31 -7.038 -1.717 -2.264 1.00 49.49 O ATOM 452 CB PHE A 31 -8.666 -2.152 -5.095 1.00 49.82 C ATOM 453 CG PHE A 31 -9.557 -2.890 -4.137 1.00 50.00 C ATOM 454 CD1 PHE A 31 -9.721 -4.264 -4.238 1.00 49.88 C ATOM 455 CD2 PHE A 31 -10.232 -2.212 -3.133 1.00 49.88 C ATOM 456 CE1 PHE A 31 -10.541 -4.944 -3.357 1.00 49.88 C ATOM 457 CE2 PHE A 31 -11.051 -2.892 -2.250 1.00 49.88 C ATOM 458 CZ PHE A 31 -11.206 -4.255 -2.363 1.00 49.88 C ATOM 0 H PHE A 31 -7.354 -4.115 -4.287 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.625 -1.573 -5.417 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -9.060 -1.147 -5.242 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.697 -2.652 -6.063 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -9.202 -4.808 -5.013 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -10.117 -1.142 -3.040 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -10.661 -6.014 -3.446 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -11.570 -2.353 -1.471 1.00 49.88 H new ATOM 0 HZ PHE A 31 -11.847 -4.785 -1.674 1.00 49.88 H new ATOM 468 N VAL A 32 -7.128 0.120 -3.561 1.00 49.53 N ATOM 469 CA VAL A 32 -6.977 1.050 -2.449 1.00 50.07 C ATOM 470 C VAL A 32 -7.951 2.215 -2.569 1.00 50.51 C ATOM 471 O VAL A 32 -8.150 2.761 -3.655 1.00 49.49 O ATOM 472 CB VAL A 32 -5.541 1.602 -2.365 1.00 49.91 C ATOM 473 CG1 VAL A 32 -5.203 2.402 -3.613 1.00 49.73 C ATOM 474 CG2 VAL A 32 -5.374 2.462 -1.122 1.00 49.73 C ATOM 0 H VAL A 32 -7.239 0.567 -4.471 1.00 49.53 H new ATOM 0 HA VAL A 32 -7.195 0.490 -1.540 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.852 0.760 -2.298 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -4.185 2.784 -3.536 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -5.284 1.760 -4.490 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.897 3.237 -3.709 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -4.354 2.844 -1.078 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -6.073 3.298 -1.161 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -5.575 1.862 -0.235 1.00 49.73 H new ATOM 484 N HIS A 33 -8.559 2.591 -1.449 1.00 49.53 N ATOM 485 CA HIS A 33 -9.454 3.740 -1.410 1.00 50.07 C ATOM 486 C HIS A 33 -8.750 4.970 -0.849 1.00 50.51 C ATOM 487 O HIS A 33 -7.729 4.856 -0.171 1.00 49.49 O ATOM 488 CB HIS A 33 -10.701 3.426 -0.578 1.00 49.92 C ATOM 489 CG HIS A 33 -11.627 2.444 -1.228 1.00 50.22 C ATOM 490 ND1 HIS A 33 -12.899 2.197 -0.756 1.00 49.30 N ATOM 491 CD2 HIS A 33 -11.465 1.648 -2.310 1.00 49.95 C ATOM 492 CE1 HIS A 33 -13.480 1.290 -1.523 1.00 50.25 C ATOM 493 NE2 HIS A 33 -12.631 0.941 -2.471 1.00 49.64 N ATOM 0 H HIS A 33 -8.447 2.115 -0.554 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.757 3.956 -2.434 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -10.391 3.034 0.391 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -11.243 4.352 -0.388 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -10.584 1.581 -2.931 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -14.479 0.901 -1.395 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -12.812 0.256 -3.205 1.00 49.64 H new ATOM 501 N PHE A 34 -9.303 6.143 -1.137 1.00 49.53 N ATOM 502 CA PHE A 34 -8.734 7.396 -0.653 1.00 50.07 C ATOM 503 C PHE A 34 -8.784 7.473 0.867 1.00 50.51 C ATOM 504 O PHE A 34 -8.047 8.241 1.485 1.00 49.49 O ATOM 505 CB PHE A 34 -9.471 8.588 -1.265 1.00 49.82 C ATOM 506 CG PHE A 34 -10.911 8.689 -0.849 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.271 9.385 0.296 1.00 49.88 C ATOM 508 CD2 PHE A 34 -11.909 8.087 -1.601 1.00 49.88 C ATOM 509 CE1 PHE A 34 -12.595 9.479 0.680 1.00 49.88 C ATOM 510 CE2 PHE A 34 -13.234 8.180 -1.220 1.00 49.88 C ATOM 511 CZ PHE A 34 -13.577 8.876 -0.078 1.00 49.88 C ATOM 0 H PHE A 34 -10.144 6.253 -1.703 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.689 7.429 -0.960 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.956 9.506 -0.982 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.421 8.516 -2.351 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -10.507 9.859 0.894 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -11.648 7.539 -2.494 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -12.861 10.024 1.573 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -14.001 7.708 -1.816 1.00 49.88 H new ATOM 0 HZ PHE A 34 -14.612 8.948 0.221 1.00 49.88 H new ATOM 521 N SER A 35 -9.657 6.671 1.467 1.00 49.53 N ATOM 522 CA SER A 35 -9.772 6.611 2.919 1.00 50.07 C ATOM 523 C SER A 35 -8.624 5.818 3.530 1.00 50.51 C ATOM 524 O SER A 35 -8.384 5.884 4.736 1.00 49.49 O ATOM 525 CB SER A 35 -11.104 6.002 3.314 1.00 50.05 C ATOM 526 OG SER A 35 -11.194 4.652 2.950 1.00 49.34 O ATOM 0 H SER A 35 -10.297 6.052 0.969 1.00 49.53 H new ATOM 0 HA SER A 35 -9.719 7.629 3.305 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.240 6.097 4.391 1.00 50.05 H new ATOM 0 HB3 SER A 35 -11.912 6.560 2.840 1.00 50.05 H new ATOM 0 HG SER A 35 -12.066 4.297 3.223 1.00 49.34 H new ATOM 532 N ALA A 36 -7.917 5.067 2.691 1.00 49.53 N ATOM 533 CA ALA A 36 -6.769 4.289 3.140 1.00 50.07 C ATOM 534 C ALA A 36 -5.500 5.131 3.140 1.00 50.51 C ATOM 535 O ALA A 36 -4.477 4.729 3.693 1.00 49.49 O ATOM 536 CB ALA A 36 -6.591 3.056 2.267 1.00 49.73 C ATOM 0 H ALA A 36 -8.120 4.981 1.695 1.00 49.53 H new ATOM 0 HA ALA A 36 -6.958 3.968 4.164 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -5.730 2.485 2.615 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.485 2.436 2.327 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.430 3.362 1.233 1.00 49.73 H new ATOM 542 N ILE A 37 -5.572 6.301 2.515 1.00 49.53 N ATOM 543 CA ILE A 37 -4.420 7.191 2.417 1.00 50.07 C ATOM 544 C ILE A 37 -4.235 7.993 3.699 1.00 50.51 C ATOM 545 O ILE A 37 -5.074 8.824 4.049 1.00 49.49 O ATOM 546 CB ILE A 37 -4.554 8.160 1.229 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.652 7.383 -0.086 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.377 9.124 1.195 1.00 49.73 C ATOM 549 CD1 ILE A 37 -5.036 8.237 -1.273 1.00 49.73 C ATOM 0 H ILE A 37 -6.417 6.656 2.068 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.546 6.559 2.259 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.469 8.739 1.355 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -3.692 6.907 -0.288 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.386 6.585 0.028 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.487 9.803 0.349 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.351 9.699 2.121 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.449 8.562 1.091 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -5.085 7.616 -2.167 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -6.010 8.692 -1.094 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -4.290 9.019 -1.415 1.00 49.73 H new ATOM 561 N GLN A 38 -3.131 7.742 4.394 1.00 49.53 N ATOM 562 CA GLN A 38 -2.874 8.380 5.680 1.00 50.07 C ATOM 563 C GLN A 38 -1.844 9.494 5.544 1.00 50.51 C ATOM 564 O GLN A 38 -1.292 9.966 6.537 1.00 49.49 O ATOM 565 CB GLN A 38 -2.388 7.349 6.702 1.00 49.82 C ATOM 566 CG GLN A 38 -3.326 6.170 6.890 1.00 49.82 C ATOM 567 CD GLN A 38 -4.672 6.584 7.454 1.00 50.55 C ATOM 568 OE1 GLN A 38 -4.746 7.362 8.410 1.00 49.45 O ATOM 569 NE2 GLN A 38 -5.743 6.064 6.870 1.00 49.38 N ATOM 0 H GLN A 38 -2.399 7.101 4.088 1.00 49.53 H new ATOM 0 HA GLN A 38 -3.811 8.815 6.028 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -1.412 6.977 6.390 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -2.248 7.844 7.663 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -3.475 5.672 5.932 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -2.863 5.444 7.559 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -5.635 5.425 6.082 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -6.675 6.303 7.208 1.00 49.38 H new ATOM 578 N ASN A 39 -1.589 9.911 4.308 1.00 49.53 N ATOM 579 CA ASN A 39 -0.633 10.979 4.042 1.00 50.07 C ATOM 580 C ASN A 39 -1.229 12.344 4.361 1.00 50.51 C ATOM 581 O ASN A 39 -2.421 12.575 4.157 1.00 49.49 O ATOM 582 CB ASN A 39 -0.146 10.943 2.605 1.00 49.82 C ATOM 583 CG ASN A 39 0.807 9.817 2.318 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.562 9.377 3.192 1.00 49.45 O ATOM 585 ND2 ASN A 39 0.835 9.402 1.076 1.00 49.38 N ATOM 0 H ASN A 39 -2.032 9.525 3.474 1.00 49.53 H new ATOM 0 HA ASN A 39 0.223 10.814 4.696 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -1.006 10.857 1.941 1.00 49.82 H new ATOM 0 HB3 ASN A 39 0.343 11.889 2.373 1.00 49.82 H new ATOM 0 HD21 ASN A 39 1.502 8.684 0.793 1.00 49.38 H new ATOM 0 HD22 ASN A 39 0.190 9.797 0.392 1.00 49.38 H new ATOM 592 N ASP A 40 -0.392 13.247 4.863 1.00 49.53 N ATOM 593 CA ASP A 40 -0.833 14.594 5.204 1.00 50.07 C ATOM 594 C ASP A 40 -1.263 15.364 3.961 1.00 50.51 C ATOM 595 O ASP A 40 -0.745 15.134 2.867 1.00 49.49 O ATOM 596 CB ASP A 40 0.278 15.352 5.934 1.00 49.72 C ATOM 597 CG ASP A 40 0.522 14.889 7.363 1.00 50.62 C ATOM 598 OD1 ASP A 40 -0.271 14.125 7.863 1.00 49.24 O ATOM 599 OD2 ASP A 40 1.572 15.173 7.887 1.00 49.24 O ATOM 0 H ASP A 40 0.596 13.069 5.043 1.00 49.53 H new ATOM 0 HA ASP A 40 -1.695 14.506 5.865 1.00 50.07 H new ATOM 0 HB2 ASP A 40 1.204 15.248 5.368 1.00 49.72 H new ATOM 0 HB3 ASP A 40 0.029 16.413 5.946 1.00 49.72 H new ATOM 604 N GLY A 41 -2.212 16.277 4.136 1.00 49.53 N ATOM 605 CA GLY A 41 -2.735 17.061 3.023 1.00 49.98 C ATOM 606 C GLY A 41 -3.840 16.310 2.291 1.00 50.51 C ATOM 607 O GLY A 41 -4.452 15.396 2.842 1.00 49.49 O ATOM 0 H GLY A 41 -2.635 16.493 5.039 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -3.121 18.011 3.393 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -1.928 17.294 2.328 1.00 49.98 H new ATOM 611 N TYR A 42 -4.090 16.703 1.046 1.00 49.53 N ATOM 612 CA TYR A 42 -5.109 16.054 0.230 1.00 50.07 C ATOM 613 C TYR A 42 -4.744 14.604 -0.060 1.00 50.51 C ATOM 614 O TYR A 42 -3.664 14.316 -0.577 1.00 49.49 O ATOM 615 CB TYR A 42 -5.308 16.817 -1.083 1.00 49.82 C ATOM 616 CG TYR A 42 -6.340 16.199 -2.001 1.00 50.00 C ATOM 617 CD1 TYR A 42 -7.692 16.271 -1.702 1.00 49.88 C ATOM 618 CD2 TYR A 42 -5.958 15.547 -3.163 1.00 49.88 C ATOM 619 CE1 TYR A 42 -8.639 15.708 -2.536 1.00 49.88 C ATOM 620 CE2 TYR A 42 -6.895 14.982 -4.006 1.00 49.88 C ATOM 621 CZ TYR A 42 -8.235 15.065 -3.688 1.00 50.11 C ATOM 622 OH TYR A 42 -9.173 14.504 -4.525 1.00 49.46 O ATOM 0 H TYR A 42 -3.601 17.468 0.581 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.042 16.064 0.793 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -5.605 17.841 -0.855 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -4.355 16.871 -1.608 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -8.010 16.776 -0.802 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -4.910 15.480 -3.414 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -9.688 15.771 -2.288 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -6.581 14.478 -4.908 1.00 49.88 H new ATOM 0 HH TYR A 42 -8.723 14.091 -5.291 1.00 49.46 H new ATOM 632 N LYS A 43 -5.650 13.692 0.276 1.00 49.53 N ATOM 633 CA LYS A 43 -5.425 12.270 0.052 1.00 50.07 C ATOM 634 C LYS A 43 -5.337 11.954 -1.436 1.00 50.51 C ATOM 635 O LYS A 43 -6.334 12.024 -2.156 1.00 49.49 O ATOM 636 CB LYS A 43 -6.538 11.443 0.698 1.00 49.82 C ATOM 637 CG LYS A 43 -6.379 11.242 2.200 1.00 49.82 C ATOM 638 CD LYS A 43 -6.180 12.568 2.918 1.00 49.82 C ATOM 639 CE LYS A 43 -6.198 12.389 4.429 1.00 50.21 C ATOM 640 NZ LYS A 43 -5.039 11.589 4.908 1.00 49.70 N ATOM 0 H LYS A 43 -6.548 13.914 0.705 1.00 49.53 H new ATOM 0 HA LYS A 43 -4.474 12.007 0.514 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -7.494 11.931 0.508 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -6.576 10.467 0.215 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -7.261 10.740 2.597 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -5.527 10.590 2.393 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -5.231 13.010 2.614 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -6.965 13.265 2.623 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -6.187 13.367 4.910 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -7.125 11.898 4.725 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -5.032 11.576 5.948 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -5.117 10.616 4.550 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -4.156 12.015 4.561 1.00 49.70 H new ATOM 654 N SER A 44 -4.137 11.609 -1.892 1.00 49.53 N ATOM 655 CA SER A 44 -3.921 11.263 -3.292 1.00 50.07 C ATOM 656 C SER A 44 -2.656 10.434 -3.465 1.00 50.51 C ATOM 657 O SER A 44 -1.757 10.474 -2.625 1.00 49.49 O ATOM 658 CB SER A 44 -3.849 12.520 -4.137 1.00 50.05 C ATOM 659 OG SER A 44 -2.728 13.301 -3.823 1.00 49.34 O ATOM 0 H SER A 44 -3.299 11.562 -1.312 1.00 49.53 H new ATOM 0 HA SER A 44 -4.765 10.660 -3.626 1.00 50.07 H new ATOM 0 HB2 SER A 44 -3.816 12.246 -5.192 1.00 50.05 H new ATOM 0 HB3 SER A 44 -4.754 13.109 -3.988 1.00 50.05 H new ATOM 0 HG SER A 44 -2.717 14.100 -4.390 1.00 49.34 H new ATOM 665 N LEU A 45 -2.590 9.683 -4.559 1.00 49.53 N ATOM 666 CA LEU A 45 -1.434 8.841 -4.844 1.00 50.07 C ATOM 667 C LEU A 45 -0.912 9.080 -6.255 1.00 50.51 C ATOM 668 O LEU A 45 -1.688 9.302 -7.184 1.00 49.49 O ATOM 669 CB LEU A 45 -1.797 7.363 -4.652 1.00 49.82 C ATOM 670 CG LEU A 45 -2.204 6.970 -3.225 1.00 49.91 C ATOM 671 CD1 LEU A 45 -2.773 5.559 -3.215 1.00 49.73 C ATOM 672 CD2 LEU A 45 -0.997 7.071 -2.305 1.00 49.73 C ATOM 0 H LEU A 45 -3.325 9.640 -5.264 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.641 9.106 -4.145 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.616 7.116 -5.327 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.943 6.754 -4.950 1.00 49.82 H new ATOM 0 HG LEU A 45 -2.975 7.652 -2.867 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -3.059 5.289 -2.198 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -3.649 5.515 -3.862 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -2.019 4.860 -3.578 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.287 6.792 -1.292 1.00 49.73 H new ATOM 0 HD22 LEU A 45 -0.214 6.399 -2.657 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -0.623 8.095 -2.306 1.00 49.73 H new ATOM 684 N ASP A 46 0.407 9.033 -6.407 1.00 49.53 N ATOM 685 CA ASP A 46 1.031 9.158 -7.719 1.00 50.07 C ATOM 686 C ASP A 46 1.450 7.797 -8.260 1.00 50.51 C ATOM 687 O ASP A 46 1.905 6.932 -7.512 1.00 49.49 O ATOM 688 CB ASP A 46 2.242 10.091 -7.650 1.00 49.72 C ATOM 689 CG ASP A 46 1.895 11.558 -7.430 1.00 50.62 C ATOM 690 OD1 ASP A 46 0.747 11.904 -7.580 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.740 12.283 -6.964 1.00 49.24 O ATOM 0 H ASP A 46 1.065 8.909 -5.637 1.00 49.53 H new ATOM 0 HA ASP A 46 0.294 9.584 -8.400 1.00 50.07 H new ATOM 0 HB2 ASP A 46 2.895 9.760 -6.842 1.00 49.72 H new ATOM 0 HB3 ASP A 46 2.809 9.999 -8.576 1.00 49.72 H new ATOM 696 N GLU A 47 1.291 7.612 -9.567 1.00 49.53 N ATOM 697 CA GLU A 47 1.653 6.356 -10.212 1.00 50.07 C ATOM 698 C GLU A 47 3.160 6.135 -10.181 1.00 50.51 C ATOM 699 O GLU A 47 3.929 6.967 -10.660 1.00 49.49 O ATOM 700 CB GLU A 47 1.148 6.330 -11.656 1.00 49.82 C ATOM 701 CG GLU A 47 1.341 4.998 -12.366 1.00 49.72 C ATOM 702 CD GLU A 47 0.770 5.033 -13.757 1.00 50.62 C ATOM 703 OE1 GLU A 47 0.206 6.035 -14.123 1.00 49.24 O ATOM 704 OE2 GLU A 47 0.994 4.101 -14.493 1.00 49.24 O ATOM 0 H GLU A 47 0.913 8.317 -10.200 1.00 49.53 H new ATOM 0 HA GLU A 47 1.178 5.547 -9.656 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.087 6.580 -11.662 1.00 49.82 H new ATOM 0 HB3 GLU A 47 1.662 7.107 -12.222 1.00 49.82 H new ATOM 0 HG2 GLU A 47 2.403 4.759 -12.413 1.00 49.72 H new ATOM 0 HG3 GLU A 47 0.860 4.205 -11.793 1.00 49.72 H new ATOM 711 N GLY A 48 3.576 5.007 -9.614 1.00 49.53 N ATOM 712 CA GLY A 48 4.993 4.687 -9.492 1.00 49.98 C ATOM 713 C GLY A 48 5.537 5.108 -8.133 1.00 50.51 C ATOM 714 O GLY A 48 6.689 4.826 -7.801 1.00 49.49 O ATOM 0 H GLY A 48 2.950 4.298 -9.231 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.140 3.616 -9.630 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.551 5.189 -10.282 1.00 49.98 H new ATOM 718 N GLN A 49 4.703 5.783 -7.350 1.00 49.53 N ATOM 719 CA GLN A 49 5.101 6.247 -6.027 1.00 50.07 C ATOM 720 C GLN A 49 5.283 5.079 -5.064 1.00 50.51 C ATOM 721 O GLN A 49 4.380 4.263 -4.888 1.00 49.49 O ATOM 722 CB GLN A 49 4.061 7.221 -5.465 1.00 49.82 C ATOM 723 CG GLN A 49 4.403 7.773 -4.091 1.00 49.82 C ATOM 724 CD GLN A 49 3.389 8.793 -3.609 1.00 50.55 C ATOM 725 OE1 GLN A 49 2.411 9.091 -4.300 1.00 49.45 O ATOM 726 NE2 GLN A 49 3.620 9.338 -2.420 1.00 49.38 N ATOM 0 H GLN A 49 3.746 6.021 -7.609 1.00 49.53 H new ATOM 0 HA GLN A 49 6.056 6.762 -6.131 1.00 50.07 H new ATOM 0 HB2 GLN A 49 3.946 8.053 -6.160 1.00 49.82 H new ATOM 0 HB3 GLN A 49 3.097 6.715 -5.411 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.457 6.952 -3.376 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.390 8.233 -4.123 1.00 49.82 H new ATOM 0 HE21 GLN A 49 4.442 9.061 -1.883 1.00 49.38 H new ATOM 0 HE22 GLN A 49 2.975 10.033 -2.044 1.00 49.38 H new ATOM 735 N LYS A 50 6.456 5.007 -4.446 1.00 49.53 N ATOM 736 CA LYS A 50 6.733 3.984 -3.443 1.00 50.07 C ATOM 737 C LYS A 50 6.015 4.288 -2.136 1.00 50.51 C ATOM 738 O LYS A 50 6.147 5.379 -1.582 1.00 49.49 O ATOM 739 CB LYS A 50 8.238 3.864 -3.203 1.00 49.82 C ATOM 740 CG LYS A 50 9.022 3.305 -4.382 1.00 49.82 C ATOM 741 CD LYS A 50 10.505 3.196 -4.061 1.00 49.82 C ATOM 742 CE LYS A 50 11.287 2.629 -5.235 1.00 50.21 C ATOM 743 NZ LYS A 50 12.740 2.513 -4.932 1.00 49.70 N ATOM 0 H LYS A 50 7.232 5.645 -4.622 1.00 49.53 H new ATOM 0 HA LYS A 50 6.360 3.033 -3.823 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.633 4.849 -2.954 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.405 3.225 -2.336 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.632 2.322 -4.647 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.883 3.948 -5.251 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.896 4.180 -3.803 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.644 2.559 -3.188 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.891 1.647 -5.494 1.00 50.21 H new ATOM 0 HE3 LYS A 50 11.148 3.269 -6.106 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 13.237 2.123 -5.758 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 13.124 3.453 -4.709 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.875 1.882 -4.117 1.00 49.70 H new ATOM 757 N VAL A 51 5.254 3.314 -1.645 1.00 49.53 N ATOM 758 CA VAL A 51 4.481 3.490 -0.422 1.00 50.07 C ATOM 759 C VAL A 51 4.609 2.276 0.488 1.00 50.51 C ATOM 760 O VAL A 51 4.935 1.179 0.036 1.00 49.49 O ATOM 761 CB VAL A 51 2.991 3.737 -0.724 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.811 5.049 -1.474 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.412 2.583 -1.527 1.00 49.73 C ATOM 0 H VAL A 51 5.157 2.395 -2.076 1.00 49.53 H new ATOM 0 HA VAL A 51 4.889 4.365 0.083 1.00 50.07 H new ATOM 0 HB VAL A 51 2.454 3.803 0.222 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.752 5.208 -1.680 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.190 5.871 -0.866 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.361 5.009 -2.414 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.359 2.774 -1.731 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.953 2.487 -2.469 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.509 1.659 -0.958 1.00 49.73 H new ATOM 773 N SER A 52 4.351 2.478 1.777 1.00 49.53 N ATOM 774 CA SER A 52 4.254 1.372 2.722 1.00 50.07 C ATOM 775 C SER A 52 2.830 1.214 3.240 1.00 50.51 C ATOM 776 O SER A 52 2.214 2.177 3.695 1.00 49.49 O ATOM 777 CB SER A 52 5.215 1.585 3.876 1.00 50.05 C ATOM 778 OG SER A 52 5.093 0.589 4.854 1.00 49.34 O ATOM 0 H SER A 52 4.205 3.399 2.191 1.00 49.53 H new ATOM 0 HA SER A 52 4.525 0.454 2.200 1.00 50.07 H new ATOM 0 HB2 SER A 52 6.237 1.598 3.498 1.00 50.05 H new ATOM 0 HB3 SER A 52 5.029 2.560 4.327 1.00 50.05 H new ATOM 0 HG SER A 52 5.730 0.762 5.578 1.00 49.34 H new ATOM 784 N PHE A 53 2.312 -0.008 3.168 1.00 49.53 N ATOM 785 CA PHE A 53 0.893 -0.253 3.392 1.00 50.07 C ATOM 786 C PHE A 53 0.659 -1.641 3.975 1.00 50.51 C ATOM 787 O PHE A 53 1.549 -2.490 3.958 1.00 49.49 O ATOM 788 CB PHE A 53 0.109 -0.088 2.090 1.00 49.82 C ATOM 789 CG PHE A 53 0.489 -1.079 1.026 1.00 50.00 C ATOM 790 CD1 PHE A 53 1.624 -0.889 0.254 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.290 -2.203 0.795 1.00 49.88 C ATOM 792 CE1 PHE A 53 1.975 -1.797 -0.726 1.00 49.88 C ATOM 793 CE2 PHE A 53 0.059 -3.116 -0.183 1.00 49.88 C ATOM 794 CZ PHE A 53 1.190 -2.913 -0.944 1.00 49.88 C ATOM 0 H PHE A 53 2.855 -0.845 2.956 1.00 49.53 H new ATOM 0 HA PHE A 53 0.537 0.483 4.113 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -0.956 -0.187 2.302 1.00 49.82 H new ATOM 0 HB3 PHE A 53 0.266 0.921 1.707 1.00 49.82 H new ATOM 0 HD1 PHE A 53 2.242 -0.019 0.421 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -1.179 -2.367 1.386 1.00 49.88 H new ATOM 0 HE1 PHE A 53 2.862 -1.635 -1.321 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -0.555 -3.989 -0.351 1.00 49.88 H new ATOM 0 HZ PHE A 53 1.462 -3.625 -1.709 1.00 49.88 H new ATOM 804 N THR A 54 -0.546 -1.866 4.488 1.00 49.53 N ATOM 805 CA THR A 54 -0.959 -3.198 4.919 1.00 50.07 C ATOM 806 C THR A 54 -2.122 -3.712 4.082 1.00 50.51 C ATOM 807 O THR A 54 -2.833 -2.935 3.445 1.00 49.49 O ATOM 808 CB THR A 54 -1.365 -3.209 6.404 1.00 50.14 C ATOM 809 OG1 THR A 54 -2.493 -2.346 6.600 1.00 49.34 O ATOM 810 CG2 THR A 54 -0.212 -2.735 7.277 1.00 49.73 C ATOM 0 H THR A 54 -1.254 -1.143 4.616 1.00 49.53 H new ATOM 0 HA THR A 54 -0.099 -3.854 4.781 1.00 50.07 H new ATOM 0 HB THR A 54 -1.625 -4.229 6.686 1.00 50.14 H new ATOM 0 HG1 THR A 54 -3.118 -2.762 7.230 1.00 49.34 H new ATOM 0 HG21 THR A 54 -0.518 -2.750 8.323 1.00 49.73 H new ATOM 0 HG22 THR A 54 0.644 -3.396 7.140 1.00 49.73 H new ATOM 0 HG23 THR A 54 0.065 -1.719 6.994 1.00 49.73 H new ATOM 818 N ILE A 55 -2.309 -5.027 4.085 1.00 49.53 N ATOM 819 CA ILE A 55 -3.417 -5.644 3.365 1.00 50.07 C ATOM 820 C ILE A 55 -4.313 -6.437 4.309 1.00 50.51 C ATOM 821 O ILE A 55 -3.846 -7.317 5.031 1.00 49.49 O ATOM 822 CB ILE A 55 -2.914 -6.576 2.247 1.00 49.91 C ATOM 823 CG1 ILE A 55 -2.135 -5.778 1.197 1.00 49.82 C ATOM 824 CG2 ILE A 55 -4.081 -7.310 1.602 1.00 49.73 C ATOM 825 CD1 ILE A 55 -1.536 -6.631 0.102 1.00 49.73 C ATOM 0 H ILE A 55 -1.707 -5.687 4.578 1.00 49.53 H new ATOM 0 HA ILE A 55 -3.992 -4.833 2.918 1.00 50.07 H new ATOM 0 HB ILE A 55 -2.243 -7.314 2.687 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -2.800 -5.041 0.747 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -1.336 -5.226 1.693 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -3.708 -7.964 0.814 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -4.597 -7.906 2.355 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -4.775 -6.586 1.175 1.00 49.73 H new ATOM 0 HD11 ILE A 55 -1.000 -5.995 -0.603 1.00 49.73 H new ATOM 0 HD12 ILE A 55 -0.844 -7.351 0.539 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -2.331 -7.163 -0.421 1.00 49.73 H new ATOM 923 N ALA A 63 -7.793 -5.705 0.668 1.00 49.53 N ATOM 924 CA ALA A 63 -7.678 -4.304 0.276 1.00 50.07 C ATOM 925 C ALA A 63 -6.539 -3.617 1.018 1.00 50.51 C ATOM 926 O ALA A 63 -6.196 -3.997 2.139 1.00 49.49 O ATOM 927 CB ALA A 63 -8.992 -3.577 0.522 1.00 49.73 C ATOM 0 HA ALA A 63 -7.452 -4.268 -0.790 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.891 -2.533 0.225 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.783 -4.046 -0.064 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -9.245 -3.630 1.581 1.00 49.73 H new ATOM 933 N ALA A 64 -5.957 -2.603 0.388 1.00 49.53 N ATOM 934 CA ALA A 64 -4.856 -1.859 0.988 1.00 50.07 C ATOM 935 C ALA A 64 -5.354 -0.924 2.084 1.00 50.51 C ATOM 936 O ALA A 64 -6.450 -0.371 1.991 1.00 49.49 O ATOM 937 CB ALA A 64 -4.102 -1.076 -0.076 1.00 49.73 C ATOM 0 H ALA A 64 -6.230 -2.277 -0.539 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.175 -2.577 1.444 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -3.283 -0.526 0.389 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.701 -1.765 -0.819 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.781 -0.375 -0.561 1.00 49.73 H new ATOM 943 N GLY A 65 -4.544 -0.751 3.122 1.00 49.53 N ATOM 944 CA GLY A 65 -4.864 0.180 4.198 1.00 49.98 C ATOM 945 C GLY A 65 -3.599 0.724 4.849 1.00 50.51 C ATOM 946 O GLY A 65 -2.497 0.251 4.578 1.00 49.49 O ATOM 0 H GLY A 65 -3.659 -1.244 3.242 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.457 1.005 3.804 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.475 -0.323 4.948 1.00 49.98 H new ATOM 950 N ASN A 66 -3.767 1.723 5.708 1.00 49.53 N ATOM 951 CA ASN A 66 -2.636 2.355 6.380 1.00 50.07 C ATOM 952 C ASN A 66 -1.567 2.775 5.380 1.00 50.51 C ATOM 953 O ASN A 66 -0.376 2.565 5.605 1.00 49.49 O ATOM 954 CB ASN A 66 -2.039 1.443 7.436 1.00 49.82 C ATOM 955 CG ASN A 66 -3.011 1.040 8.509 1.00 50.55 C ATOM 956 OD1 ASN A 66 -3.543 1.882 9.241 1.00 49.45 O ATOM 957 ND2 ASN A 66 -3.184 -0.249 8.660 1.00 49.38 N ATOM 0 H ASN A 66 -4.676 2.113 5.956 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.014 3.249 6.877 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -1.654 0.546 6.952 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.189 1.945 7.898 1.00 49.82 H new ATOM 0 HD21 ASN A 66 -3.781 -0.599 9.409 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -2.722 -0.903 8.028 1.00 49.38 H new ATOM 964 N VAL A 67 -2.000 3.369 4.273 1.00 49.53 N ATOM 965 CA VAL A 67 -1.100 3.684 3.170 1.00 50.07 C ATOM 966 C VAL A 67 -0.360 4.992 3.419 1.00 50.51 C ATOM 967 O VAL A 67 -0.968 6.061 3.470 1.00 49.49 O ATOM 968 CB VAL A 67 -1.857 3.782 1.832 1.00 49.91 C ATOM 969 CG1 VAL A 67 -0.906 4.166 0.709 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.549 2.464 1.515 1.00 49.73 C ATOM 0 H VAL A 67 -2.970 3.642 4.116 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.380 2.868 3.111 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.616 4.559 1.922 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.458 4.231 -0.229 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.453 5.132 0.931 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.125 3.411 0.619 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.079 2.550 0.567 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.805 1.670 1.444 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.259 2.226 2.307 1.00 49.73 H new ATOM 980 N THR A 68 0.957 4.901 3.576 1.00 49.53 N ATOM 981 CA THR A 68 1.792 6.084 3.751 1.00 50.07 C ATOM 982 C THR A 68 2.928 6.109 2.738 1.00 50.51 C ATOM 983 O THR A 68 3.355 5.067 2.242 1.00 49.49 O ATOM 984 CB THR A 68 2.382 6.154 5.172 1.00 50.14 C ATOM 985 OG1 THR A 68 3.202 5.003 5.408 1.00 49.34 O ATOM 986 CG2 THR A 68 1.270 6.203 6.209 1.00 49.73 C ATOM 0 H THR A 68 1.469 4.019 3.586 1.00 49.53 H new ATOM 0 HA THR A 68 1.149 6.950 3.593 1.00 50.07 H new ATOM 0 HB THR A 68 2.983 7.060 5.257 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.578 5.049 6.312 1.00 49.34 H new ATOM 0 HG21 THR A 68 1.705 6.252 7.207 1.00 49.73 H new ATOM 0 HG22 THR A 68 0.652 7.085 6.039 1.00 49.73 H new ATOM 0 HG23 THR A 68 0.655 5.307 6.125 1.00 49.73 H new ATOM 994 N SER A 69 3.416 7.308 2.433 1.00 49.53 N ATOM 995 CA SER A 69 4.531 7.469 1.508 1.00 50.07 C ATOM 996 C SER A 69 5.804 6.844 2.064 1.00 50.51 C ATOM 997 O SER A 69 6.112 6.990 3.247 1.00 49.49 O ATOM 998 CB SER A 69 4.751 8.939 1.208 1.00 50.05 C ATOM 999 OG SER A 69 5.825 9.141 0.331 1.00 49.34 O ATOM 0 H SER A 69 3.056 8.183 2.814 1.00 49.53 H new ATOM 0 HA SER A 69 4.282 6.951 0.582 1.00 50.07 H new ATOM 0 HB2 SER A 69 3.844 9.360 0.774 1.00 50.05 H new ATOM 0 HB3 SER A 69 4.937 9.475 2.139 1.00 50.05 H new ATOM 0 HG SER A 69 5.933 10.100 0.161 1.00 49.34 H new ATOM 1005 N LEU A 70 6.539 6.147 1.205 1.00 49.53 N ATOM 1006 CA LEU A 70 7.768 5.478 1.616 1.00 50.07 C ATOM 1007 C LEU A 70 8.998 6.251 1.155 1.00 50.51 C ATOM 1008 O LEU A 70 10.130 5.842 1.408 1.00 49.49 O ATOM 1009 CB LEU A 70 7.800 4.048 1.065 1.00 49.82 C ATOM 1010 CG LEU A 70 9.070 3.250 1.391 1.00 49.91 C ATOM 1011 CD1 LEU A 70 9.149 2.988 2.889 1.00 49.73 C ATOM 1012 CD2 LEU A 70 9.063 1.942 0.615 1.00 49.73 C ATOM 0 H LEU A 70 6.305 6.030 0.219 1.00 49.53 H new ATOM 0 HA LEU A 70 7.785 5.440 2.705 1.00 50.07 H new ATOM 0 HB2 LEU A 70 6.939 3.506 1.456 1.00 49.82 H new ATOM 0 HB3 LEU A 70 7.685 4.090 -0.018 1.00 49.82 H new ATOM 0 HG LEU A 70 9.947 3.826 1.097 1.00 49.91 H new ATOM 0 HD11 LEU A 70 10.053 2.421 3.112 1.00 49.73 H new ATOM 0 HD12 LEU A 70 9.175 3.938 3.424 1.00 49.73 H new ATOM 0 HD13 LEU A 70 8.276 2.417 3.205 1.00 49.73 H new ATOM 0 HD21 LEU A 70 9.965 1.376 0.847 1.00 49.73 H new ATOM 0 HD22 LEU A 70 8.186 1.358 0.895 1.00 49.73 H new ATOM 0 HD23 LEU A 70 9.032 2.153 -0.454 1.00 49.73 H new