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 33 HIS : no HD1:sc= 1.55 K(o=2.8,f=-7.2!) USER MOD Set 1.2: A 35 SER OG : rot -67:sc= 1.26 USER MOD Set 2.1: A 5 MET CE :methyl -127:sc= -0.151 (180deg=-0.719) USER MOD Set 2.2: A 27 SER OG : rot 150:sc= -0.142 USER MOD Set 3.1: A 6 THR OG1 : rot 180:sc= 0.39 USER MOD Set 3.2: A 52 SER OG : rot -74:sc= 0.422 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -109:sc= 0.227 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.12 K(o=-1.1,f=-10!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -65:sc= 0.889 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.14) USER MOD Single : A 39 ASN : amide:sc= -0.559 K(o=-0.56,f=-5.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -139:sc= 0.287 USER MOD Single : A 49 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.259 K(o=-0.26,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 1.645 -6.719 6.282 1.00 49.53 N ATOM 37 CA LYS A 4 2.281 -5.460 5.918 1.00 50.07 C ATOM 38 C LYS A 4 3.222 -5.640 4.733 1.00 50.51 C ATOM 39 O LYS A 4 4.154 -6.442 4.784 1.00 49.49 O ATOM 40 CB LYS A 4 3.043 -4.880 7.111 1.00 49.82 C ATOM 41 CG LYS A 4 3.649 -3.504 6.862 1.00 49.82 C ATOM 42 CD LYS A 4 4.361 -2.981 8.100 1.00 49.82 C ATOM 43 CE LYS A 4 4.962 -1.605 7.855 1.00 50.21 C ATOM 44 NZ LYS A 4 5.673 -1.085 9.054 1.00 49.70 N ATOM 0 HA LYS A 4 1.496 -4.762 5.627 1.00 50.07 H new ATOM 0 HB2 LYS A 4 2.366 -4.817 7.963 1.00 49.82 H new ATOM 0 HB3 LYS A 4 3.840 -5.570 7.388 1.00 49.82 H new ATOM 0 HG2 LYS A 4 4.353 -3.559 6.031 1.00 49.82 H new ATOM 0 HG3 LYS A 4 2.864 -2.806 6.569 1.00 49.82 H new ATOM 0 HD2 LYS A 4 3.658 -2.930 8.931 1.00 49.82 H new ATOM 0 HD3 LYS A 4 5.148 -3.677 8.390 1.00 49.82 H new ATOM 0 HE2 LYS A 4 5.656 -1.657 7.016 1.00 50.21 H new ATOM 0 HE3 LYS A 4 4.172 -0.910 7.572 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 6.067 -0.146 8.844 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 5.006 -1.011 9.848 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 6.444 -1.735 9.309 1.00 49.70 H new ATOM 58 N MET A 5 2.971 -4.888 3.666 1.00 49.53 N ATOM 59 CA MET A 5 3.759 -5.005 2.445 1.00 50.07 C ATOM 60 C MET A 5 4.159 -3.633 1.916 1.00 50.51 C ATOM 61 O MET A 5 3.480 -2.639 2.166 1.00 49.49 O ATOM 62 CB MET A 5 2.977 -5.773 1.383 1.00 49.82 C ATOM 63 CG MET A 5 2.668 -7.219 1.750 1.00 49.86 C ATOM 64 SD MET A 5 1.753 -8.084 0.458 1.00 49.91 S ATOM 65 CE MET A 5 3.035 -8.307 -0.772 1.00 49.78 C ATOM 0 H MET A 5 2.228 -4.191 3.623 1.00 49.53 H new ATOM 0 HA MET A 5 4.670 -5.555 2.682 1.00 50.07 H new ATOM 0 HB2 MET A 5 2.039 -5.251 1.192 1.00 49.82 H new ATOM 0 HB3 MET A 5 3.544 -5.761 0.452 1.00 49.82 H new ATOM 0 HG2 MET A 5 3.601 -7.748 1.945 1.00 49.86 H new ATOM 0 HG3 MET A 5 2.091 -7.240 2.674 1.00 49.86 H new ATOM 0 HE1 MET A 5 2.691 -7.920 -1.731 1.00 49.78 H new ATOM 0 HE2 MET A 5 3.932 -7.769 -0.464 1.00 49.78 H new ATOM 0 HE3 MET A 5 3.264 -9.368 -0.870 1.00 49.78 H new ATOM 75 N THR A 6 5.266 -3.588 1.183 1.00 49.53 N ATOM 76 CA THR A 6 5.712 -2.356 0.543 1.00 50.07 C ATOM 77 C THR A 6 5.683 -2.482 -0.976 1.00 50.51 C ATOM 78 O THR A 6 6.105 -3.496 -1.531 1.00 49.49 O ATOM 79 CB THR A 6 7.134 -1.970 0.987 1.00 50.14 C ATOM 80 OG1 THR A 6 7.152 -1.749 2.404 1.00 49.34 O ATOM 81 CG2 THR A 6 7.592 -0.707 0.275 1.00 49.73 C ATOM 0 H THR A 6 5.872 -4.392 1.017 1.00 49.53 H new ATOM 0 HA THR A 6 5.019 -1.574 0.854 1.00 50.07 H new ATOM 0 HB THR A 6 7.811 -2.785 0.730 1.00 50.14 H new ATOM 0 HG1 THR A 6 8.058 -1.505 2.686 1.00 49.34 H new ATOM 0 HG21 THR A 6 8.600 -0.450 0.602 1.00 49.73 H new ATOM 0 HG22 THR A 6 7.592 -0.876 -0.802 1.00 49.73 H new ATOM 0 HG23 THR A 6 6.913 0.112 0.514 1.00 49.73 H new ATOM 89 N GLY A 7 5.182 -1.446 -1.640 1.00 49.53 N ATOM 90 CA GLY A 7 5.040 -1.464 -3.091 1.00 49.98 C ATOM 91 C GLY A 7 4.993 -0.050 -3.657 1.00 50.51 C ATOM 92 O GLY A 7 5.222 0.924 -2.940 1.00 49.49 O ATOM 0 H GLY A 7 4.867 -0.583 -1.196 1.00 49.53 H new ATOM 0 HA2 GLY A 7 5.874 -2.008 -3.534 1.00 49.98 H new ATOM 0 HA3 GLY A 7 4.130 -1.998 -3.363 1.00 49.98 H new ATOM 96 N ILE A 8 4.693 0.055 -4.948 1.00 49.53 N ATOM 97 CA ILE A 8 4.572 1.353 -5.602 1.00 50.07 C ATOM 98 C ILE A 8 3.181 1.544 -6.193 1.00 50.51 C ATOM 99 O ILE A 8 2.657 0.658 -6.868 1.00 49.49 O ATOM 100 CB ILE A 8 5.621 1.524 -6.715 1.00 49.91 C ATOM 101 CG1 ILE A 8 7.035 1.445 -6.133 1.00 49.82 C ATOM 102 CG2 ILE A 8 5.414 2.844 -7.443 1.00 49.73 C ATOM 103 CD1 ILE A 8 8.123 1.372 -7.181 1.00 49.73 C ATOM 0 H ILE A 8 4.529 -0.743 -5.562 1.00 49.53 H new ATOM 0 HA ILE A 8 4.744 2.109 -4.836 1.00 50.07 H new ATOM 0 HB ILE A 8 5.499 0.713 -7.434 1.00 49.91 H new ATOM 0 HG12 ILE A 8 7.208 2.318 -5.503 1.00 49.82 H new ATOM 0 HG13 ILE A 8 7.104 0.568 -5.489 1.00 49.82 H new ATOM 0 HG21 ILE A 8 6.164 2.949 -8.227 1.00 49.73 H new ATOM 0 HG22 ILE A 8 4.419 2.862 -7.888 1.00 49.73 H new ATOM 0 HG23 ILE A 8 5.510 3.668 -6.736 1.00 49.73 H new ATOM 0 HD11 ILE A 8 9.096 1.318 -6.692 1.00 49.73 H new ATOM 0 HD12 ILE A 8 7.977 0.484 -7.796 1.00 49.73 H new ATOM 0 HD13 ILE A 8 8.082 2.261 -7.811 1.00 49.73 H new ATOM 115 N VAL A 9 2.587 2.704 -5.935 1.00 49.53 N ATOM 116 CA VAL A 9 1.253 3.010 -6.435 1.00 50.07 C ATOM 117 C VAL A 9 1.210 2.957 -7.956 1.00 50.51 C ATOM 118 O VAL A 9 1.920 3.702 -8.634 1.00 49.49 O ATOM 119 CB VAL A 9 0.778 4.398 -5.964 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.596 4.712 -6.536 1.00 49.73 C ATOM 121 CG2 VAL A 9 0.750 4.465 -4.445 1.00 49.73 C ATOM 0 H VAL A 9 3.010 3.449 -5.381 1.00 49.53 H new ATOM 0 HA VAL A 9 0.583 2.251 -6.030 1.00 50.07 H new ATOM 0 HB VAL A 9 1.483 5.145 -6.328 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -0.917 5.696 -6.193 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.547 4.705 -7.625 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -1.310 3.960 -6.200 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.412 5.452 -4.131 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.067 3.708 -4.060 1.00 49.73 H new ATOM 0 HG23 VAL A 9 1.751 4.283 -4.054 1.00 49.73 H new ATOM 131 N LYS A 10 0.373 2.074 -8.489 1.00 49.53 N ATOM 132 CA LYS A 10 0.278 1.881 -9.931 1.00 50.07 C ATOM 133 C LYS A 10 -0.669 2.894 -10.561 1.00 50.51 C ATOM 134 O LYS A 10 -0.349 3.507 -11.581 1.00 49.49 O ATOM 135 CB LYS A 10 -0.184 0.458 -10.252 1.00 49.82 C ATOM 136 CG LYS A 10 -0.278 0.148 -11.740 1.00 49.82 C ATOM 137 CD LYS A 10 -0.606 -1.318 -11.981 1.00 49.82 C ATOM 138 CE LYS A 10 -0.650 -1.639 -13.467 1.00 50.21 C ATOM 139 NZ LYS A 10 -0.871 -3.091 -13.715 1.00 49.70 N ATOM 0 H LYS A 10 -0.251 1.480 -7.943 1.00 49.53 H new ATOM 0 HA LYS A 10 1.271 2.034 -10.354 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.505 -0.248 -9.789 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -1.161 0.295 -9.797 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -1.045 0.774 -12.196 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.666 0.396 -12.225 1.00 49.82 H new ATOM 0 HD2 LYS A 10 0.141 -1.945 -11.494 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -1.568 -1.557 -11.527 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -1.447 -1.065 -13.939 1.00 50.21 H new ATOM 0 HE3 LYS A 10 0.285 -1.329 -13.933 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 0.003 -3.517 -14.084 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 -1.135 -3.559 -12.825 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -1.636 -3.212 -14.410 1.00 49.70 H new ATOM 153 N TRP A 11 -1.836 3.064 -9.952 1.00 49.53 N ATOM 154 CA TRP A 11 -2.806 4.051 -10.414 1.00 50.07 C ATOM 155 C TRP A 11 -3.865 4.321 -9.354 1.00 50.51 C ATOM 156 O TRP A 11 -4.231 3.431 -8.586 1.00 49.49 O ATOM 157 CB TRP A 11 -3.468 3.579 -11.710 1.00 49.82 C ATOM 158 CG TRP A 11 -4.352 4.613 -12.340 1.00 49.97 C ATOM 159 CD1 TRP A 11 -5.715 4.622 -12.351 1.00 50.03 C ATOM 160 CD2 TRP A 11 -3.936 5.785 -13.050 1.00 49.98 C ATOM 161 NE1 TRP A 11 -6.174 5.727 -13.023 1.00 49.39 N ATOM 162 CE2 TRP A 11 -5.099 6.458 -13.462 1.00 50.13 C ATOM 163 CE3 TRP A 11 -2.688 6.331 -13.376 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -5.057 7.643 -14.182 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -2.647 7.519 -14.096 1.00 49.88 C ATOM 166 CH2 TRP A 11 -3.797 8.156 -14.488 1.00 49.88 C ATOM 0 H TRP A 11 -2.135 2.531 -9.136 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.272 4.982 -10.605 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -2.693 3.293 -12.421 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -4.057 2.686 -11.503 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -6.342 3.869 -11.897 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -7.154 5.966 -13.172 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -1.776 5.838 -13.074 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -5.961 8.146 -14.492 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -1.690 7.950 -14.352 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -3.725 9.077 -15.047 1.00 49.88 H new ATOM 177 N PHE A 12 -4.355 5.555 -9.315 1.00 49.53 N ATOM 178 CA PHE A 12 -5.373 5.946 -8.349 1.00 50.07 C ATOM 179 C PHE A 12 -6.328 6.977 -8.939 1.00 50.51 C ATOM 180 O PHE A 12 -5.912 8.066 -9.335 1.00 49.49 O ATOM 181 CB PHE A 12 -4.723 6.497 -7.080 1.00 49.82 C ATOM 182 CG PHE A 12 -5.687 6.705 -5.946 1.00 50.00 C ATOM 183 CD1 PHE A 12 -5.951 5.683 -5.045 1.00 49.88 C ATOM 184 CD2 PHE A 12 -6.329 7.921 -5.776 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.836 5.872 -4.002 1.00 49.88 C ATOM 186 CE2 PHE A 12 -7.216 8.114 -4.734 1.00 49.88 C ATOM 187 CZ PHE A 12 -7.469 7.088 -3.845 1.00 49.88 C ATOM 0 H PHE A 12 -4.062 6.303 -9.943 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.949 5.056 -8.094 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.939 5.812 -6.757 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -4.240 7.446 -7.313 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.459 4.729 -5.161 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -6.134 8.728 -6.466 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -7.033 5.068 -3.309 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -7.711 9.067 -4.615 1.00 49.88 H new ATOM 0 HZ PHE A 12 -8.161 7.237 -3.029 1.00 49.88 H new ATOM 197 N ASN A 13 -7.608 6.626 -8.996 1.00 49.53 N ATOM 198 CA ASN A 13 -8.633 7.545 -9.479 1.00 50.07 C ATOM 199 C ASN A 13 -9.300 8.281 -8.323 1.00 50.51 C ATOM 200 O ASN A 13 -10.144 7.723 -7.623 1.00 49.49 O ATOM 201 CB ASN A 13 -9.675 6.825 -10.313 1.00 49.82 C ATOM 202 CG ASN A 13 -10.650 7.747 -10.992 1.00 50.55 C ATOM 203 OD1 ASN A 13 -10.762 8.928 -10.647 1.00 49.45 O ATOM 204 ND2 ASN A 13 -11.412 7.193 -11.899 1.00 49.38 N ATOM 0 H ASN A 13 -7.961 5.712 -8.714 1.00 49.53 H new ATOM 0 HA ASN A 13 -8.136 8.278 -10.115 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -9.170 6.224 -11.069 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -10.226 6.135 -9.674 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -12.140 7.741 -12.357 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -11.278 6.213 -12.148 1.00 49.38 H new ATOM 211 N ALA A 14 -8.915 9.538 -8.129 1.00 49.53 N ATOM 212 CA ALA A 14 -9.405 10.323 -7.003 1.00 50.07 C ATOM 213 C ALA A 14 -10.911 10.534 -7.090 1.00 50.51 C ATOM 214 O ALA A 14 -11.587 10.688 -6.073 1.00 49.49 O ATOM 215 CB ALA A 14 -8.683 11.661 -6.936 1.00 49.73 C ATOM 0 H ALA A 14 -8.265 10.035 -8.738 1.00 49.53 H new ATOM 0 HA ALA A 14 -9.198 9.766 -6.089 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -9.060 12.236 -6.090 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -7.613 11.491 -6.812 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -8.858 12.215 -7.858 1.00 49.73 H new ATOM 221 N ASP A 15 -11.433 10.538 -8.312 1.00 49.53 N ATOM 222 CA ASP A 15 -12.858 10.747 -8.537 1.00 50.07 C ATOM 223 C ASP A 15 -13.677 9.583 -7.993 1.00 50.51 C ATOM 224 O ASP A 15 -14.870 9.721 -7.725 1.00 49.49 O ATOM 225 CB ASP A 15 -13.145 10.939 -10.028 1.00 49.72 C ATOM 226 CG ASP A 15 -12.667 12.271 -10.592 1.00 50.62 C ATOM 227 OD1 ASP A 15 -12.329 13.135 -9.819 1.00 49.24 O ATOM 228 OD2 ASP A 15 -12.495 12.360 -11.784 1.00 49.24 O ATOM 0 H ASP A 15 -10.889 10.399 -9.163 1.00 49.53 H new ATOM 0 HA ASP A 15 -13.150 11.651 -8.002 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -12.670 10.131 -10.584 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -14.219 10.852 -10.193 1.00 49.72 H new ATOM 233 N LYS A 16 -13.029 8.433 -7.832 1.00 49.53 N ATOM 234 CA LYS A 16 -13.687 7.250 -7.290 1.00 50.07 C ATOM 235 C LYS A 16 -13.125 6.884 -5.923 1.00 50.51 C ATOM 236 O LYS A 16 -13.742 6.134 -5.169 1.00 49.49 O ATOM 237 CB LYS A 16 -13.543 6.070 -8.252 1.00 49.82 C ATOM 238 CG LYS A 16 -14.209 6.278 -9.606 1.00 49.82 C ATOM 239 CD LYS A 16 -14.038 5.057 -10.499 1.00 49.82 C ATOM 240 CE LYS A 16 -14.689 5.269 -11.857 1.00 50.21 C ATOM 241 NZ LYS A 16 -14.471 4.111 -12.766 1.00 49.70 N ATOM 0 H LYS A 16 -12.047 8.296 -8.070 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.745 7.482 -7.171 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.483 5.872 -8.409 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -13.968 5.182 -7.784 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -15.270 6.482 -9.464 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.779 7.152 -10.095 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -12.977 4.846 -10.631 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -14.478 4.185 -10.015 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -15.759 5.430 -11.725 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -14.285 6.171 -12.316 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -14.931 4.296 -13.680 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -13.451 3.972 -12.913 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -14.879 3.254 -12.341 1.00 49.70 H new ATOM 255 N GLY A 17 -11.950 7.418 -5.610 1.00 49.53 N ATOM 256 CA GLY A 17 -11.296 7.140 -4.336 1.00 49.98 C ATOM 257 C GLY A 17 -10.808 5.698 -4.271 1.00 50.51 C ATOM 258 O GLY A 17 -10.922 5.041 -3.238 1.00 49.49 O ATOM 0 H GLY A 17 -11.430 8.047 -6.222 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -10.454 7.818 -4.201 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -11.992 7.329 -3.518 1.00 49.98 H new ATOM 262 N PHE A 18 -10.264 5.213 -5.382 1.00 49.53 N ATOM 263 CA PHE A 18 -9.837 3.821 -5.482 1.00 50.07 C ATOM 264 C PHE A 18 -8.750 3.654 -6.535 1.00 50.51 C ATOM 265 O PHE A 18 -8.733 4.362 -7.542 1.00 49.49 O ATOM 266 CB PHE A 18 -11.028 2.918 -5.805 1.00 49.82 C ATOM 267 CG PHE A 18 -10.672 1.462 -5.916 1.00 50.00 C ATOM 268 CD1 PHE A 18 -10.492 0.690 -4.779 1.00 49.88 C ATOM 269 CD2 PHE A 18 -10.515 0.864 -7.157 1.00 49.88 C ATOM 270 CE1 PHE A 18 -10.165 -0.650 -4.880 1.00 49.88 C ATOM 271 CE2 PHE A 18 -10.188 -0.474 -7.261 1.00 49.88 C ATOM 272 CZ PHE A 18 -10.013 -1.231 -6.121 1.00 49.88 C ATOM 0 H PHE A 18 -10.108 5.763 -6.227 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.423 3.528 -4.517 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -11.785 3.039 -5.030 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -11.477 3.245 -6.743 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -10.608 1.140 -3.804 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -10.650 1.451 -8.053 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -10.029 -1.241 -3.987 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -10.069 -0.927 -8.234 1.00 49.88 H new ATOM 0 HZ PHE A 18 -9.757 -2.277 -6.201 1.00 49.88 H new ATOM 282 N GLY A 19 -7.842 2.712 -6.297 1.00 49.53 N ATOM 283 CA GLY A 19 -6.759 2.438 -7.234 1.00 49.98 C ATOM 284 C GLY A 19 -6.067 1.122 -6.905 1.00 50.51 C ATOM 285 O GLY A 19 -6.609 0.288 -6.181 1.00 49.49 O ATOM 0 H GLY A 19 -7.835 2.126 -5.462 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -7.154 2.401 -8.249 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -6.034 3.251 -7.204 1.00 49.98 H new ATOM 289 N PHE A 20 -4.865 0.941 -7.441 1.00 49.53 N ATOM 290 CA PHE A 20 -4.115 -0.293 -7.244 1.00 50.07 C ATOM 291 C PHE A 20 -2.666 -0.006 -6.875 1.00 50.51 C ATOM 292 O PHE A 20 -2.057 0.930 -7.394 1.00 49.49 O ATOM 293 CB PHE A 20 -4.176 -1.161 -8.503 1.00 49.82 C ATOM 294 CG PHE A 20 -5.572 -1.448 -8.976 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.294 -2.507 -8.448 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.166 -0.659 -9.949 1.00 49.88 C ATOM 297 CE1 PHE A 20 -7.578 -2.773 -8.882 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.450 -0.922 -10.384 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.157 -1.979 -9.851 1.00 49.88 C ATOM 0 H PHE A 20 -4.389 1.635 -8.017 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.574 -0.834 -6.417 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -3.627 -0.664 -9.302 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -3.668 -2.105 -8.307 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -5.847 -3.131 -7.688 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -5.618 0.171 -10.371 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -8.129 -3.602 -8.463 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -7.901 -0.299 -11.142 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.161 -2.185 -10.191 1.00 49.88 H new ATOM 309 N ILE A 21 -2.119 -0.815 -5.975 1.00 49.53 N ATOM 310 CA ILE A 21 -0.709 -0.716 -5.612 1.00 50.07 C ATOM 311 C ILE A 21 0.042 -1.993 -5.968 1.00 50.51 C ATOM 312 O ILE A 21 -0.381 -3.093 -5.611 1.00 49.49 O ATOM 313 CB ILE A 21 -0.532 -0.429 -4.110 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.195 0.900 -3.738 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.944 -0.411 -3.743 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.251 1.159 -2.250 1.00 49.73 C ATOM 0 H ILE A 21 -2.630 -1.547 -5.483 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.295 0.116 -6.182 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.017 -1.225 -3.546 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.651 1.713 -4.219 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.209 0.914 -4.138 1.00 49.82 H new ATOM 0 HG21 ILE A 21 1.052 -0.207 -2.678 1.00 49.73 H new ATOM 0 HG22 ILE A 21 1.388 -1.379 -3.973 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.452 0.366 -4.314 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.734 2.119 -2.066 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -1.820 0.367 -1.764 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.239 1.179 -1.846 1.00 49.73 H new ATOM 328 N THR A 22 1.157 -1.840 -6.672 1.00 49.53 N ATOM 329 CA THR A 22 1.953 -2.982 -7.105 1.00 50.07 C ATOM 330 C THR A 22 3.080 -3.272 -6.120 1.00 50.51 C ATOM 331 O THR A 22 4.007 -2.476 -5.970 1.00 49.49 O ATOM 332 CB THR A 22 2.555 -2.755 -8.503 1.00 50.14 C ATOM 333 OG1 THR A 22 1.499 -2.576 -9.457 1.00 49.34 O ATOM 334 CG2 THR A 22 3.408 -3.946 -8.917 1.00 49.73 C ATOM 0 H THR A 22 1.531 -0.934 -6.956 1.00 49.53 H new ATOM 0 HA THR A 22 1.278 -3.837 -7.145 1.00 50.07 H new ATOM 0 HB THR A 22 3.182 -1.864 -8.471 1.00 50.14 H new ATOM 0 HG1 THR A 22 0.978 -3.403 -9.527 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.825 -3.768 -9.908 1.00 49.73 H new ATOM 0 HG22 THR A 22 4.219 -4.080 -8.201 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.792 -4.845 -8.939 1.00 49.73 H new ATOM 342 N PRO A 23 2.994 -4.417 -5.451 1.00 49.71 N ATOM 343 CA PRO A 23 3.984 -4.795 -4.451 1.00 50.02 C ATOM 344 C PRO A 23 5.364 -4.957 -5.074 1.00 50.51 C ATOM 345 O PRO A 23 5.489 -5.363 -6.230 1.00 49.49 O ATOM 346 CB PRO A 23 3.450 -6.117 -3.874 1.00 49.82 C ATOM 347 CG PRO A 23 1.972 -6.091 -4.149 1.00 49.82 C ATOM 348 CD PRO A 23 1.940 -5.429 -5.601 1.00 50.00 C ATOM 0 HA PRO A 23 4.113 -4.037 -3.678 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.925 -6.976 -4.349 1.00 49.82 H new ATOM 0 HB3 PRO A 23 3.652 -6.192 -2.805 1.00 49.82 H new ATOM 0 HG2 PRO A 23 1.534 -7.089 -4.142 1.00 49.82 H new ATOM 0 HG3 PRO A 23 1.427 -5.499 -3.414 1.00 49.82 H new ATOM 0 HD2 PRO A 23 2.163 -6.147 -6.390 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.971 -4.988 -5.835 1.00 50.00 H new ATOM 356 N ASP A 24 6.398 -4.639 -4.303 1.00 49.53 N ATOM 357 CA ASP A 24 7.771 -4.748 -4.780 1.00 50.07 C ATOM 358 C ASP A 24 8.223 -6.203 -4.832 1.00 50.51 C ATOM 359 O ASP A 24 9.241 -6.525 -5.444 1.00 49.49 O ATOM 360 CB ASP A 24 8.714 -3.938 -3.887 1.00 49.72 C ATOM 361 CG ASP A 24 8.519 -2.429 -3.972 1.00 50.62 C ATOM 362 OD1 ASP A 24 8.434 -1.922 -5.065 1.00 49.24 O ATOM 363 OD2 ASP A 24 8.302 -1.820 -2.952 1.00 49.24 O ATOM 0 H ASP A 24 6.311 -4.303 -3.344 1.00 49.53 H new ATOM 0 HA ASP A 24 7.805 -4.344 -5.792 1.00 50.07 H new ATOM 0 HB2 ASP A 24 8.575 -4.253 -2.853 1.00 49.72 H new ATOM 0 HB3 ASP A 24 9.743 -4.175 -4.157 1.00 49.72 H new ATOM 368 N ASP A 25 7.458 -7.077 -4.187 1.00 49.53 N ATOM 369 CA ASP A 25 7.749 -8.506 -4.202 1.00 50.07 C ATOM 370 C ASP A 25 7.455 -9.113 -5.567 1.00 50.51 C ATOM 371 O ASP A 25 7.881 -10.228 -5.866 1.00 49.49 O ATOM 372 CB ASP A 25 6.943 -9.229 -3.120 1.00 49.72 C ATOM 373 CG ASP A 25 7.435 -8.984 -1.700 1.00 50.62 C ATOM 374 OD1 ASP A 25 8.515 -8.466 -1.547 1.00 49.24 O ATOM 375 OD2 ASP A 25 6.665 -9.168 -0.787 1.00 49.24 O ATOM 0 H ASP A 25 6.631 -6.821 -3.647 1.00 49.53 H new ATOM 0 HA ASP A 25 8.812 -8.632 -3.995 1.00 50.07 H new ATOM 0 HB2 ASP A 25 5.901 -8.916 -3.190 1.00 49.72 H new ATOM 0 HB3 ASP A 25 6.968 -10.300 -3.320 1.00 49.72 H new ATOM 380 N GLY A 26 6.722 -8.372 -6.393 1.00 49.53 N ATOM 381 CA GLY A 26 6.378 -8.833 -7.733 1.00 49.98 C ATOM 382 C GLY A 26 5.081 -9.631 -7.724 1.00 50.51 C ATOM 383 O GLY A 26 4.707 -10.235 -8.729 1.00 49.49 O ATOM 0 H GLY A 26 6.355 -7.450 -6.157 1.00 49.53 H new ATOM 0 HA2 GLY A 26 6.277 -7.977 -8.400 1.00 49.98 H new ATOM 0 HA3 GLY A 26 7.185 -9.450 -8.127 1.00 49.98 H new ATOM 387 N SER A 27 4.399 -9.630 -6.585 1.00 49.53 N ATOM 388 CA SER A 27 3.134 -10.341 -6.449 1.00 50.07 C ATOM 389 C SER A 27 2.005 -9.597 -7.152 1.00 50.51 C ATOM 390 O SER A 27 2.197 -8.490 -7.656 1.00 49.49 O ATOM 391 CB SER A 27 2.801 -10.539 -4.983 1.00 50.05 C ATOM 392 OG SER A 27 2.487 -9.331 -4.346 1.00 49.34 O ATOM 0 H SER A 27 4.702 -9.144 -5.741 1.00 49.53 H new ATOM 0 HA SER A 27 3.241 -11.316 -6.924 1.00 50.07 H new ATOM 0 HB2 SER A 27 1.959 -11.226 -4.892 1.00 50.05 H new ATOM 0 HB3 SER A 27 3.648 -11.005 -4.479 1.00 50.05 H new ATOM 0 HG SER A 27 1.850 -9.500 -3.620 1.00 49.34 H new ATOM 398 N LYS A 28 0.827 -10.211 -7.183 1.00 49.53 N ATOM 399 CA LYS A 28 -0.326 -9.622 -7.854 1.00 50.07 C ATOM 400 C LYS A 28 -0.665 -8.258 -7.271 1.00 50.51 C ATOM 401 O LYS A 28 -0.423 -7.997 -6.091 1.00 49.49 O ATOM 402 CB LYS A 28 -1.535 -10.552 -7.755 1.00 49.82 C ATOM 403 CG LYS A 28 -1.383 -11.868 -8.508 1.00 49.82 C ATOM 404 CD LYS A 28 -2.633 -12.724 -8.385 1.00 49.82 C ATOM 405 CE LYS A 28 -2.473 -14.048 -9.118 1.00 50.21 C ATOM 406 NZ LYS A 28 -3.693 -14.894 -9.015 1.00 49.70 N ATOM 0 H LYS A 28 0.646 -11.117 -6.751 1.00 49.53 H new ATOM 0 HA LYS A 28 -0.068 -9.488 -8.904 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -1.725 -10.769 -6.704 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -2.412 -10.029 -8.136 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -1.180 -11.666 -9.560 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -0.525 -12.416 -8.118 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -2.845 -12.912 -7.332 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -3.488 -12.183 -8.790 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -2.252 -13.856 -10.168 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -1.621 -14.589 -8.707 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -3.541 -15.786 -9.528 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -3.890 -15.099 -8.015 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -4.502 -14.389 -9.431 1.00 49.70 H new ATOM 420 N ASP A 29 -1.228 -7.387 -8.103 1.00 49.53 N ATOM 421 CA ASP A 29 -1.597 -6.044 -7.673 1.00 50.07 C ATOM 422 C ASP A 29 -2.566 -6.090 -6.498 1.00 50.51 C ATOM 423 O ASP A 29 -3.460 -6.934 -6.450 1.00 49.49 O ATOM 424 CB ASP A 29 -2.216 -5.260 -8.833 1.00 49.72 C ATOM 425 CG ASP A 29 -1.222 -4.842 -9.908 1.00 50.62 C ATOM 426 OD1 ASP A 29 -0.042 -4.970 -9.682 1.00 49.24 O ATOM 427 OD2 ASP A 29 -1.648 -4.548 -11.000 1.00 49.24 O ATOM 0 H ASP A 29 -1.439 -7.589 -9.080 1.00 49.53 H new ATOM 0 HA ASP A 29 -0.689 -5.537 -7.348 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -2.995 -5.868 -9.292 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -2.700 -4.368 -8.436 1.00 49.72 H new ATOM 432 N VAL A 30 -2.382 -5.176 -5.550 1.00 49.53 N ATOM 433 CA VAL A 30 -3.241 -5.110 -4.373 1.00 50.07 C ATOM 434 C VAL A 30 -4.210 -3.939 -4.463 1.00 50.51 C ATOM 435 O VAL A 30 -3.802 -2.797 -4.684 1.00 49.49 O ATOM 436 CB VAL A 30 -2.416 -4.981 -3.079 1.00 49.91 C ATOM 437 CG1 VAL A 30 -3.334 -4.873 -1.871 1.00 49.73 C ATOM 438 CG2 VAL A 30 -1.474 -6.167 -2.926 1.00 49.73 C ATOM 0 H VAL A 30 -1.645 -4.471 -5.574 1.00 49.53 H new ATOM 0 HA VAL A 30 -3.805 -6.042 -4.343 1.00 50.07 H new ATOM 0 HB VAL A 30 -1.818 -4.072 -3.142 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -2.734 -4.783 -0.965 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -3.970 -3.994 -1.975 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -3.957 -5.765 -1.806 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -0.899 -6.059 -2.006 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -2.054 -7.089 -2.885 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -0.794 -6.203 -3.777 1.00 49.73 H new ATOM 448 N PHE A 31 -5.496 -4.226 -4.292 1.00 49.53 N ATOM 449 CA PHE A 31 -6.525 -3.196 -4.349 1.00 50.07 C ATOM 450 C PHE A 31 -6.447 -2.271 -3.141 1.00 50.51 C ATOM 451 O PHE A 31 -6.241 -2.722 -2.014 1.00 49.49 O ATOM 452 CB PHE A 31 -7.914 -3.834 -4.434 1.00 49.82 C ATOM 453 CG PHE A 31 -8.101 -4.722 -5.632 1.00 50.00 C ATOM 454 CD1 PHE A 31 -7.006 -5.256 -6.293 1.00 49.88 C ATOM 455 CD2 PHE A 31 -9.371 -5.023 -6.099 1.00 49.88 C ATOM 456 CE1 PHE A 31 -7.176 -6.074 -7.395 1.00 49.88 C ATOM 457 CE2 PHE A 31 -9.544 -5.840 -7.199 1.00 49.88 C ATOM 458 CZ PHE A 31 -8.446 -6.365 -7.848 1.00 49.88 C ATOM 0 H PHE A 31 -5.850 -5.165 -4.112 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.352 -2.600 -5.245 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.092 -4.417 -3.530 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.665 -3.045 -4.458 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -6.009 -5.031 -5.944 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -10.235 -4.614 -5.597 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -6.315 -6.485 -7.901 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -10.539 -6.068 -7.551 1.00 49.88 H new ATOM 0 HZ PHE A 31 -8.580 -7.003 -8.709 1.00 49.88 H new ATOM 468 N VAL A 32 -6.614 -0.975 -3.383 1.00 49.53 N ATOM 469 CA VAL A 32 -6.567 0.016 -2.315 1.00 50.07 C ATOM 470 C VAL A 32 -7.695 1.030 -2.454 1.00 50.51 C ATOM 471 O VAL A 32 -7.857 1.650 -3.505 1.00 49.49 O ATOM 472 CB VAL A 32 -5.219 0.761 -2.294 1.00 49.91 C ATOM 473 CG1 VAL A 32 -4.977 1.462 -3.623 1.00 49.73 C ATOM 474 CG2 VAL A 32 -5.182 1.764 -1.150 1.00 49.73 C ATOM 0 H VAL A 32 -6.783 -0.586 -4.311 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.685 -0.527 -1.377 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.425 0.031 -2.139 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -4.020 1.983 -3.590 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -4.961 0.725 -4.426 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.776 2.181 -3.806 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -4.222 2.281 -1.150 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -5.985 2.490 -1.276 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -5.312 1.240 -0.203 1.00 49.73 H new ATOM 484 N HIS A 33 -8.472 1.193 -1.389 1.00 49.53 N ATOM 485 CA HIS A 33 -9.528 2.197 -1.358 1.00 50.07 C ATOM 486 C HIS A 33 -9.179 3.335 -0.411 1.00 50.51 C ATOM 487 O HIS A 33 -8.524 3.128 0.611 1.00 49.49 O ATOM 488 CB HIS A 33 -10.863 1.565 -0.948 1.00 49.92 C ATOM 489 CG HIS A 33 -12.055 2.404 -1.288 1.00 50.22 C ATOM 490 ND1 HIS A 33 -12.565 3.355 -0.430 1.00 49.30 N ATOM 491 CD2 HIS A 33 -12.839 2.436 -2.392 1.00 49.95 C ATOM 492 CE1 HIS A 33 -13.611 3.936 -0.992 1.00 50.25 C ATOM 493 NE2 HIS A 33 -13.797 3.395 -2.182 1.00 49.64 N ATOM 0 H HIS A 33 -8.390 0.642 -0.535 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.624 2.606 -2.364 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -10.961 0.595 -1.436 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -10.853 1.381 0.126 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -12.730 1.821 -3.273 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -14.211 4.719 -0.553 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -14.534 3.649 -2.839 1.00 49.64 H new ATOM 501 N PHE A 34 -9.619 4.542 -0.752 1.00 49.53 N ATOM 502 CA PHE A 34 -9.251 5.735 -0.001 1.00 50.07 C ATOM 503 C PHE A 34 -9.771 5.667 1.430 1.00 50.51 C ATOM 504 O PHE A 34 -9.207 6.282 2.335 1.00 49.49 O ATOM 505 CB PHE A 34 -9.784 6.991 -0.695 1.00 49.82 C ATOM 506 CG PHE A 34 -11.138 7.421 -0.211 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.263 8.266 0.883 1.00 49.88 C ATOM 508 CD2 PHE A 34 -12.290 6.985 -0.845 1.00 49.88 C ATOM 509 CE1 PHE A 34 -12.508 8.664 1.330 1.00 49.88 C ATOM 510 CE2 PHE A 34 -13.536 7.382 -0.402 1.00 49.88 C ATOM 511 CZ PHE A 34 -13.645 8.222 0.687 1.00 49.88 C ATOM 0 H PHE A 34 -10.233 4.719 -1.547 1.00 49.53 H new ATOM 0 HA PHE A 34 -8.163 5.785 0.034 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -9.078 7.807 -0.542 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.833 6.809 -1.769 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -10.377 8.616 1.391 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -12.212 6.326 -1.697 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -12.591 9.321 2.183 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -14.425 7.035 -0.908 1.00 49.88 H new ATOM 0 HZ PHE A 34 -14.619 8.533 1.035 1.00 49.88 H new ATOM 521 N SER A 35 -10.849 4.916 1.627 1.00 49.53 N ATOM 522 CA SER A 35 -11.444 4.761 2.948 1.00 50.07 C ATOM 523 C SER A 35 -10.564 3.908 3.854 1.00 50.51 C ATOM 524 O SER A 35 -10.709 3.929 5.076 1.00 49.49 O ATOM 525 CB SER A 35 -12.828 4.153 2.831 1.00 50.05 C ATOM 526 OG SER A 35 -12.785 2.838 2.351 1.00 49.34 O ATOM 0 H SER A 35 -11.329 4.404 0.887 1.00 49.53 H new ATOM 0 HA SER A 35 -11.528 5.750 3.399 1.00 50.07 H new ATOM 0 HB2 SER A 35 -13.314 4.167 3.807 1.00 50.05 H new ATOM 0 HB3 SER A 35 -13.437 4.763 2.163 1.00 50.05 H new ATOM 0 HG SER A 35 -12.472 2.839 1.422 1.00 49.34 H new ATOM 532 N ALA A 36 -9.651 3.158 3.246 1.00 49.53 N ATOM 533 CA ALA A 36 -8.741 2.301 3.995 1.00 50.07 C ATOM 534 C ALA A 36 -7.467 3.046 4.372 1.00 50.51 C ATOM 535 O ALA A 36 -6.669 2.564 5.174 1.00 49.49 O ATOM 536 CB ALA A 36 -8.410 1.050 3.195 1.00 49.73 C ATOM 0 H ALA A 36 -9.522 3.127 2.235 1.00 49.53 H new ATOM 0 HA ALA A 36 -9.241 2.004 4.917 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -7.729 0.421 3.769 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -9.327 0.498 2.987 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -7.937 1.334 2.255 1.00 49.73 H new ATOM 542 N ILE A 37 -7.282 4.225 3.786 1.00 49.53 N ATOM 543 CA ILE A 37 -6.084 5.019 4.025 1.00 50.07 C ATOM 544 C ILE A 37 -6.179 5.777 5.343 1.00 50.51 C ATOM 545 O ILE A 37 -6.989 6.693 5.486 1.00 49.49 O ATOM 546 CB ILE A 37 -5.834 6.021 2.884 1.00 49.91 C ATOM 547 CG1 ILE A 37 -5.598 5.282 1.565 1.00 49.82 C ATOM 548 CG2 ILE A 37 -4.649 6.918 3.214 1.00 49.73 C ATOM 549 CD1 ILE A 37 -5.459 6.195 0.369 1.00 49.73 C ATOM 0 H ILE A 37 -7.948 4.651 3.142 1.00 49.53 H new ATOM 0 HA ILE A 37 -5.248 4.321 4.072 1.00 50.07 H new ATOM 0 HB ILE A 37 -6.719 6.647 2.773 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -4.696 4.677 1.655 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -6.426 4.595 1.391 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -4.486 7.621 2.397 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -4.855 7.470 4.131 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -3.757 6.307 3.351 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -5.294 5.598 -0.528 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -6.370 6.782 0.251 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -4.613 6.865 0.519 1.00 49.73 H new ATOM 561 N GLN A 38 -5.347 5.391 6.304 1.00 49.53 N ATOM 562 CA GLN A 38 -5.367 6.002 7.628 1.00 50.07 C ATOM 563 C GLN A 38 -4.446 7.215 7.688 1.00 50.51 C ATOM 564 O GLN A 38 -4.417 7.935 8.686 1.00 49.49 O ATOM 565 CB GLN A 38 -4.953 4.986 8.694 1.00 49.82 C ATOM 566 CG GLN A 38 -5.838 3.754 8.758 1.00 49.82 C ATOM 567 CD GLN A 38 -7.287 4.097 9.051 1.00 50.55 C ATOM 568 OE1 GLN A 38 -7.583 4.871 9.965 1.00 49.45 O ATOM 569 NE2 GLN A 38 -8.198 3.518 8.278 1.00 49.38 N ATOM 0 H GLN A 38 -4.649 4.656 6.190 1.00 49.53 H new ATOM 0 HA GLN A 38 -6.387 6.332 7.825 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -3.927 4.673 8.502 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -4.960 5.475 9.668 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -5.779 3.218 7.811 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -5.464 3.081 9.529 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -7.907 2.884 7.534 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -9.189 3.707 8.429 1.00 49.38 H new ATOM 578 N ASN A 39 -3.697 7.436 6.613 1.00 49.53 N ATOM 579 CA ASN A 39 -2.793 8.578 6.530 1.00 50.07 C ATOM 580 C ASN A 39 -3.548 9.890 6.700 1.00 50.51 C ATOM 581 O ASN A 39 -4.463 10.196 5.934 1.00 49.49 O ATOM 582 CB ASN A 39 -2.021 8.582 5.224 1.00 49.82 C ATOM 583 CG ASN A 39 -0.902 9.585 5.185 1.00 50.55 C ATOM 584 OD1 ASN A 39 -0.888 10.558 5.948 1.00 49.45 O ATOM 585 ND2 ASN A 39 -0.008 9.397 4.248 1.00 49.38 N ATOM 0 H ASN A 39 -3.698 6.839 5.786 1.00 49.53 H new ATOM 0 HA ASN A 39 -2.078 8.482 7.347 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -1.611 7.587 5.052 1.00 49.82 H new ATOM 0 HB3 ASN A 39 -2.711 8.789 4.405 1.00 49.82 H new ATOM 0 HD21 ASN A 39 0.747 10.071 4.121 1.00 49.38 H new ATOM 0 HD22 ASN A 39 -0.066 8.576 3.645 1.00 49.38 H new ATOM 592 N ASP A 40 -3.161 10.665 7.707 1.00 49.53 N ATOM 593 CA ASP A 40 -3.829 11.926 8.005 1.00 50.07 C ATOM 594 C ASP A 40 -3.723 12.895 6.835 1.00 50.51 C ATOM 595 O ASP A 40 -2.696 12.958 6.159 1.00 49.49 O ATOM 596 CB ASP A 40 -3.238 12.560 9.267 1.00 49.72 C ATOM 597 CG ASP A 40 -3.622 11.857 10.563 1.00 50.62 C ATOM 598 OD1 ASP A 40 -4.478 11.005 10.522 1.00 49.24 O ATOM 599 OD2 ASP A 40 -2.953 12.064 11.547 1.00 49.24 O ATOM 0 H ASP A 40 -2.386 10.441 8.332 1.00 49.53 H new ATOM 0 HA ASP A 40 -4.884 11.712 8.176 1.00 50.07 H new ATOM 0 HB2 ASP A 40 -2.151 12.568 9.180 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -3.561 13.600 9.322 1.00 49.72 H new ATOM 604 N GLY A 41 -4.792 13.649 6.600 1.00 49.53 N ATOM 605 CA GLY A 41 -4.839 14.584 5.481 1.00 49.98 C ATOM 606 C GLY A 41 -5.688 14.035 4.342 1.00 50.51 C ATOM 607 O GLY A 41 -6.451 13.086 4.524 1.00 49.49 O ATOM 0 H GLY A 41 -5.638 13.631 7.170 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -5.248 15.537 5.817 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -3.828 14.779 5.124 1.00 49.98 H new ATOM 611 N TYR A 42 -5.550 14.636 3.165 1.00 49.53 N ATOM 612 CA TYR A 42 -6.302 14.208 1.992 1.00 50.07 C ATOM 613 C TYR A 42 -5.920 12.793 1.580 1.00 50.51 C ATOM 614 O TYR A 42 -4.751 12.504 1.322 1.00 49.49 O ATOM 615 CB TYR A 42 -6.073 15.173 0.828 1.00 49.82 C ATOM 616 CG TYR A 42 -7.010 14.957 -0.342 1.00 50.00 C ATOM 617 CD1 TYR A 42 -8.375 15.168 -0.208 1.00 49.88 C ATOM 618 CD2 TYR A 42 -6.526 14.546 -1.574 1.00 49.88 C ATOM 619 CE1 TYR A 42 -9.234 14.971 -1.272 1.00 49.88 C ATOM 620 CE2 TYR A 42 -7.376 14.347 -2.645 1.00 49.88 C ATOM 621 CZ TYR A 42 -8.730 14.562 -2.489 1.00 50.11 C ATOM 622 OH TYR A 42 -9.582 14.366 -3.552 1.00 49.46 O ATOM 0 H TYR A 42 -4.923 15.423 2.998 1.00 49.53 H new ATOM 0 HA TYR A 42 -7.360 14.213 2.254 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -6.188 16.195 1.189 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -5.045 15.071 0.481 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -8.772 15.491 0.743 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -5.466 14.378 -1.699 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -10.294 15.136 -1.151 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -6.983 14.025 -3.598 1.00 49.88 H new ATOM 0 HH TYR A 42 -9.067 14.080 -4.335 1.00 49.46 H new ATOM 632 N LYS A 43 -6.912 11.910 1.518 1.00 49.53 N ATOM 633 CA LYS A 43 -6.662 10.488 1.322 1.00 50.07 C ATOM 634 C LYS A 43 -6.619 10.137 -0.161 1.00 50.51 C ATOM 635 O LYS A 43 -7.587 9.614 -0.713 1.00 49.49 O ATOM 636 CB LYS A 43 -7.730 9.654 2.029 1.00 49.82 C ATOM 637 CG LYS A 43 -7.762 9.823 3.541 1.00 49.82 C ATOM 638 CD LYS A 43 -8.962 9.114 4.152 1.00 49.82 C ATOM 639 CE LYS A 43 -8.981 9.263 5.667 1.00 50.21 C ATOM 640 NZ LYS A 43 -10.147 8.569 6.280 1.00 49.70 N ATOM 0 H LYS A 43 -7.898 12.156 1.601 1.00 49.53 H new ATOM 0 HA LYS A 43 -5.689 10.257 1.756 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -8.707 9.920 1.625 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -7.565 8.602 1.797 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -6.844 9.426 3.973 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -7.798 10.884 3.790 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -9.881 9.523 3.733 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -8.935 8.057 3.889 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -8.058 8.858 6.083 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -9.011 10.321 5.927 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -10.123 8.695 7.312 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -11.028 8.972 5.903 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -10.106 7.555 6.054 1.00 49.70 H new ATOM 654 N SER A 44 -5.490 10.426 -0.800 1.00 49.53 N ATOM 655 CA SER A 44 -5.282 10.055 -2.194 1.00 50.07 C ATOM 656 C SER A 44 -3.867 9.542 -2.423 1.00 50.51 C ATOM 657 O SER A 44 -2.956 9.838 -1.649 1.00 49.49 O ATOM 658 CB SER A 44 -5.566 11.240 -3.098 1.00 50.05 C ATOM 659 OG SER A 44 -4.646 12.279 -2.909 1.00 49.34 O ATOM 0 H SER A 44 -4.704 10.917 -0.373 1.00 49.53 H new ATOM 0 HA SER A 44 -5.974 9.249 -2.437 1.00 50.07 H new ATOM 0 HB2 SER A 44 -5.538 10.917 -4.139 1.00 50.05 H new ATOM 0 HB3 SER A 44 -6.573 11.609 -2.906 1.00 50.05 H new ATOM 0 HG SER A 44 -5.115 13.139 -2.930 1.00 49.34 H new ATOM 665 N LEU A 45 -3.687 8.770 -3.490 1.00 49.53 N ATOM 666 CA LEU A 45 -2.390 8.185 -3.802 1.00 50.07 C ATOM 667 C LEU A 45 -1.866 8.689 -5.141 1.00 50.51 C ATOM 668 O LEU A 45 -2.625 8.842 -6.098 1.00 49.49 O ATOM 669 CB LEU A 45 -2.486 6.655 -3.809 1.00 49.82 C ATOM 670 CG LEU A 45 -2.955 6.025 -2.490 1.00 49.91 C ATOM 671 CD1 LEU A 45 -3.093 4.517 -2.652 1.00 49.73 C ATOM 672 CD2 LEU A 45 -1.963 6.359 -1.386 1.00 49.73 C ATOM 0 H LEU A 45 -4.425 8.535 -4.154 1.00 49.53 H new ATOM 0 HA LEU A 45 -1.686 8.492 -3.029 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -3.171 6.353 -4.601 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -1.507 6.246 -4.061 1.00 49.82 H new ATOM 0 HG LEU A 45 -3.930 6.430 -2.220 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -3.426 4.079 -1.711 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -3.823 4.300 -3.432 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -2.129 4.091 -2.929 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -2.296 5.912 -0.450 1.00 49.73 H new ATOM 0 HD22 LEU A 45 -0.981 5.964 -1.647 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -1.900 7.441 -1.269 1.00 49.73 H new ATOM 684 N ASP A 46 -0.563 8.944 -5.203 1.00 49.53 N ATOM 685 CA ASP A 46 0.065 9.428 -6.427 1.00 50.07 C ATOM 686 C ASP A 46 0.826 8.314 -7.134 1.00 50.51 C ATOM 687 O ASP A 46 1.840 7.826 -6.632 1.00 49.49 O ATOM 688 CB ASP A 46 1.007 10.596 -6.120 1.00 49.72 C ATOM 689 CG ASP A 46 1.668 11.210 -7.348 1.00 50.62 C ATOM 690 OD1 ASP A 46 1.428 10.728 -8.430 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.278 12.243 -7.215 1.00 49.24 O ATOM 0 H ASP A 46 0.079 8.823 -4.419 1.00 49.53 H new ATOM 0 HA ASP A 46 -0.726 9.775 -7.092 1.00 50.07 H new ATOM 0 HB2 ASP A 46 0.447 11.372 -5.598 1.00 49.72 H new ATOM 0 HB3 ASP A 46 1.784 10.251 -5.438 1.00 49.72 H new ATOM 696 N GLU A 47 0.331 7.914 -8.300 1.00 49.53 N ATOM 697 CA GLU A 47 0.973 6.866 -9.085 1.00 50.07 C ATOM 698 C GLU A 47 2.449 7.170 -9.307 1.00 50.51 C ATOM 699 O GLU A 47 2.814 8.281 -9.694 1.00 49.49 O ATOM 700 CB GLU A 47 0.264 6.694 -10.431 1.00 49.82 C ATOM 701 CG GLU A 47 0.251 7.945 -11.299 1.00 49.72 C ATOM 702 CD GLU A 47 -0.940 8.811 -10.993 1.00 50.62 C ATOM 703 OE1 GLU A 47 -1.645 8.511 -10.058 1.00 49.24 O ATOM 704 OE2 GLU A 47 -1.083 9.834 -11.621 1.00 49.24 O ATOM 0 H GLU A 47 -0.513 8.300 -8.723 1.00 49.53 H new ATOM 0 HA GLU A 47 0.897 5.935 -8.523 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.749 5.889 -10.983 1.00 49.82 H new ATOM 0 HB3 GLU A 47 -0.764 6.382 -10.249 1.00 49.82 H new ATOM 0 HG2 GLU A 47 1.167 8.513 -11.136 1.00 49.72 H new ATOM 0 HG3 GLU A 47 0.235 7.660 -12.351 1.00 49.72 H new ATOM 711 N GLY A 48 3.297 6.176 -9.060 1.00 49.53 N ATOM 712 CA GLY A 48 4.735 6.334 -9.238 1.00 49.98 C ATOM 713 C GLY A 48 5.444 6.463 -7.897 1.00 50.51 C ATOM 714 O GLY A 48 6.663 6.306 -7.811 1.00 49.49 O ATOM 0 H GLY A 48 3.012 5.252 -8.736 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.133 5.478 -9.782 1.00 49.98 H new ATOM 0 HA3 GLY A 48 4.934 7.218 -9.844 1.00 49.98 H new ATOM 718 N GLN A 49 4.677 6.749 -6.851 1.00 49.53 N ATOM 719 CA GLN A 49 5.236 6.936 -5.518 1.00 50.07 C ATOM 720 C GLN A 49 5.315 5.613 -4.765 1.00 50.51 C ATOM 721 O GLN A 49 4.367 4.829 -4.766 1.00 49.49 O ATOM 722 CB GLN A 49 4.396 7.935 -4.719 1.00 49.82 C ATOM 723 CG GLN A 49 4.424 9.350 -5.268 1.00 49.82 C ATOM 724 CD GLN A 49 5.793 9.993 -5.143 1.00 50.55 C ATOM 725 OE1 GLN A 49 6.420 9.950 -4.081 1.00 49.45 O ATOM 726 NE2 GLN A 49 6.264 10.596 -6.229 1.00 49.38 N ATOM 0 H GLN A 49 3.664 6.857 -6.901 1.00 49.53 H new ATOM 0 HA GLN A 49 6.246 7.330 -5.634 1.00 50.07 H new ATOM 0 HB2 GLN A 49 3.363 7.587 -4.695 1.00 49.82 H new ATOM 0 HB3 GLN A 49 4.752 7.950 -3.689 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.127 9.336 -6.317 1.00 49.82 H new ATOM 0 HG3 GLN A 49 3.691 9.957 -4.737 1.00 49.82 H new ATOM 0 HE21 GLN A 49 5.711 10.607 -7.086 1.00 49.38 H new ATOM 0 HE22 GLN A 49 7.178 11.048 -6.206 1.00 49.38 H new ATOM 735 N LYS A 50 6.453 5.371 -4.123 1.00 49.53 N ATOM 736 CA LYS A 50 6.646 4.160 -3.336 1.00 50.07 C ATOM 737 C LYS A 50 6.046 4.306 -1.943 1.00 50.51 C ATOM 738 O LYS A 50 6.394 5.223 -1.200 1.00 49.49 O ATOM 739 CB LYS A 50 8.134 3.819 -3.234 1.00 49.82 C ATOM 740 CG LYS A 50 8.426 2.464 -2.601 1.00 49.82 C ATOM 741 CD LYS A 50 9.920 2.177 -2.572 1.00 49.82 C ATOM 742 CE LYS A 50 10.204 0.771 -2.068 1.00 50.21 C ATOM 743 NZ LYS A 50 11.664 0.493 -1.987 1.00 49.70 N ATOM 0 H LYS A 50 7.257 5.999 -4.133 1.00 49.53 H new ATOM 0 HA LYS A 50 6.130 3.346 -3.845 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.569 3.841 -4.233 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.633 4.594 -2.652 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.030 2.442 -1.586 1.00 49.82 H new ATOM 0 HG3 LYS A 50 7.914 1.681 -3.160 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.335 2.297 -3.573 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.419 2.903 -1.931 1.00 49.82 H new ATOM 0 HE2 LYS A 50 9.755 0.641 -1.083 1.00 50.21 H new ATOM 0 HE3 LYS A 50 9.733 0.046 -2.732 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 11.814 -0.476 -1.639 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 12.089 0.592 -2.931 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.110 1.168 -1.334 1.00 49.70 H new ATOM 757 N VAL A 51 5.141 3.396 -1.596 1.00 49.53 N ATOM 758 CA VAL A 51 4.396 3.495 -0.346 1.00 50.07 C ATOM 759 C VAL A 51 4.437 2.184 0.426 1.00 50.51 C ATOM 760 O VAL A 51 4.709 1.126 -0.143 1.00 49.49 O ATOM 761 CB VAL A 51 2.926 3.887 -0.596 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.844 5.256 -1.253 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.234 2.841 -1.457 1.00 49.73 C ATOM 0 H VAL A 51 4.906 2.582 -2.163 1.00 49.53 H new ATOM 0 HA VAL A 51 4.876 4.275 0.245 1.00 50.07 H new ATOM 0 HB VAL A 51 2.415 3.935 0.365 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.799 5.516 -1.422 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.303 6.000 -0.602 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.371 5.234 -2.207 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.197 3.134 -1.623 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.747 2.762 -2.416 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.261 1.876 -0.950 1.00 49.73 H new ATOM 773 N SER A 52 4.168 2.258 1.725 1.00 49.53 N ATOM 774 CA SER A 52 3.961 1.064 2.535 1.00 50.07 C ATOM 775 C SER A 52 2.515 0.957 3.000 1.00 50.51 C ATOM 776 O SER A 52 1.873 1.963 3.300 1.00 49.49 O ATOM 777 CB SER A 52 4.901 1.073 3.725 1.00 50.05 C ATOM 778 OG SER A 52 6.244 0.972 3.337 1.00 49.34 O ATOM 0 H SER A 52 4.088 3.135 2.240 1.00 49.53 H new ATOM 0 HA SER A 52 4.178 0.192 1.918 1.00 50.07 H new ATOM 0 HB2 SER A 52 4.757 1.992 4.294 1.00 50.05 H new ATOM 0 HB3 SER A 52 4.653 0.245 4.389 1.00 50.05 H new ATOM 0 HG SER A 52 6.435 0.053 3.055 1.00 49.34 H new ATOM 784 N PHE A 53 2.008 -0.271 3.060 1.00 49.53 N ATOM 785 CA PHE A 53 0.596 -0.502 3.339 1.00 50.07 C ATOM 786 C PHE A 53 0.388 -1.824 4.066 1.00 50.51 C ATOM 787 O PHE A 53 1.278 -2.673 4.097 1.00 49.49 O ATOM 788 CB PHE A 53 -0.214 -0.483 2.041 1.00 49.82 C ATOM 789 CG PHE A 53 0.203 -1.531 1.049 1.00 50.00 C ATOM 790 CD1 PHE A 53 1.205 -1.272 0.125 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.403 -2.779 1.039 1.00 49.88 C ATOM 792 CE1 PHE A 53 1.591 -2.235 -0.787 1.00 49.88 C ATOM 793 CE2 PHE A 53 -0.018 -3.744 0.128 1.00 49.88 C ATOM 794 CZ PHE A 53 0.978 -3.473 -0.786 1.00 49.88 C ATOM 0 H PHE A 53 2.555 -1.121 2.919 1.00 49.53 H new ATOM 0 HA PHE A 53 0.247 0.302 3.987 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.268 -0.622 2.280 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.119 0.500 1.579 1.00 49.82 H new ATOM 0 HD1 PHE A 53 1.689 -0.306 0.119 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -1.184 -2.999 1.751 1.00 49.88 H new ATOM 0 HE1 PHE A 53 2.372 -2.020 -1.501 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -0.498 -4.712 0.132 1.00 49.88 H new ATOM 0 HZ PHE A 53 1.278 -4.226 -1.499 1.00 49.88 H new ATOM 804 N THR A 54 -0.792 -1.991 4.653 1.00 49.53 N ATOM 805 CA THR A 54 -1.157 -3.247 5.296 1.00 50.07 C ATOM 806 C THR A 54 -2.456 -3.802 4.726 1.00 50.51 C ATOM 807 O THR A 54 -3.476 -3.113 4.696 1.00 49.49 O ATOM 808 CB THR A 54 -1.308 -3.079 6.820 1.00 50.14 C ATOM 809 OG1 THR A 54 -0.068 -2.624 7.379 1.00 49.34 O ATOM 810 CG2 THR A 54 -1.696 -4.399 7.467 1.00 49.73 C ATOM 0 H THR A 54 -1.513 -1.271 4.697 1.00 49.53 H new ATOM 0 HA THR A 54 -0.347 -3.948 5.095 1.00 50.07 H new ATOM 0 HB THR A 54 -2.092 -2.347 7.013 1.00 50.14 H new ATOM 0 HG1 THR A 54 -0.166 -2.516 8.348 1.00 49.34 H new ATOM 0 HG21 THR A 54 -1.798 -4.261 8.543 1.00 49.73 H new ATOM 0 HG22 THR A 54 -2.645 -4.742 7.054 1.00 49.73 H new ATOM 0 HG23 THR A 54 -0.924 -5.142 7.268 1.00 49.73 H new ATOM 818 N ILE A 55 -2.412 -5.051 4.276 1.00 49.53 N ATOM 819 CA ILE A 55 -3.589 -5.704 3.712 1.00 50.07 C ATOM 820 C ILE A 55 -4.491 -6.254 4.810 1.00 50.51 C ATOM 821 O ILE A 55 -4.128 -7.198 5.510 1.00 49.49 O ATOM 822 CB ILE A 55 -3.198 -6.848 2.760 1.00 49.91 C ATOM 823 CG1 ILE A 55 -2.381 -6.308 1.583 1.00 49.82 C ATOM 824 CG2 ILE A 55 -4.439 -7.574 2.263 1.00 49.73 C ATOM 825 CD1 ILE A 55 -1.767 -7.387 0.720 1.00 49.73 C ATOM 0 H ILE A 55 -1.574 -5.632 4.291 1.00 49.53 H new ATOM 0 HA ILE A 55 -4.131 -4.945 3.148 1.00 50.07 H new ATOM 0 HB ILE A 55 -2.581 -7.560 3.308 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -3.024 -5.682 0.964 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -1.587 -5.668 1.967 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -4.144 -8.380 1.591 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -4.982 -7.990 3.112 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -5.081 -6.873 1.730 1.00 49.73 H new ATOM 0 HD11 ILE A 55 -1.204 -6.927 -0.092 1.00 49.73 H new ATOM 0 HD12 ILE A 55 -1.097 -7.999 1.324 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -2.556 -8.014 0.305 1.00 49.73 H new ATOM 923 N ALA A 63 -7.905 -5.666 1.556 1.00 49.53 N ATOM 924 CA ALA A 63 -7.480 -4.502 0.787 1.00 50.07 C ATOM 925 C ALA A 63 -6.419 -3.705 1.536 1.00 50.51 C ATOM 926 O ALA A 63 -6.362 -3.730 2.765 1.00 49.49 O ATOM 927 CB ALA A 63 -8.675 -3.620 0.457 1.00 49.73 C ATOM 0 HA ALA A 63 -7.038 -4.856 -0.144 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.342 -2.755 -0.117 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.396 -4.189 -0.130 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -9.145 -3.283 1.381 1.00 49.73 H new ATOM 933 N ALA A 64 -5.580 -2.998 0.786 1.00 49.53 N ATOM 934 CA ALA A 64 -4.504 -2.210 1.376 1.00 50.07 C ATOM 935 C ALA A 64 -5.054 -1.021 2.152 1.00 50.51 C ATOM 936 O ALA A 64 -5.847 -0.239 1.630 1.00 49.49 O ATOM 937 CB ALA A 64 -3.538 -1.743 0.297 1.00 49.73 C ATOM 0 H ALA A 64 -5.625 -2.955 -0.232 1.00 49.53 H new ATOM 0 HA ALA A 64 -3.965 -2.846 2.078 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -2.740 -1.156 0.752 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.109 -2.609 -0.207 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.072 -1.129 -0.428 1.00 49.73 H new ATOM 943 N GLY A 65 -4.626 -0.889 3.403 1.00 49.53 N ATOM 944 CA GLY A 65 -4.973 0.272 4.213 1.00 49.98 C ATOM 945 C GLY A 65 -3.744 0.843 4.912 1.00 50.51 C ATOM 946 O GLY A 65 -2.641 0.315 4.776 1.00 49.49 O ATOM 0 H GLY A 65 -4.037 -1.573 3.878 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.424 1.038 3.582 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.719 -0.009 4.956 1.00 49.98 H new ATOM 950 N ASN A 66 -3.944 1.923 5.659 1.00 49.53 N ATOM 951 CA ASN A 66 -2.844 2.604 6.330 1.00 50.07 C ATOM 952 C ASN A 66 -1.708 2.905 5.360 1.00 50.51 C ATOM 953 O ASN A 66 -0.538 2.682 5.670 1.00 49.49 O ATOM 954 CB ASN A 66 -2.327 1.796 7.507 1.00 49.82 C ATOM 955 CG ASN A 66 -1.477 2.591 8.460 1.00 50.55 C ATOM 956 OD1 ASN A 66 -1.640 3.808 8.601 1.00 49.45 O ATOM 957 ND2 ASN A 66 -0.521 1.924 9.053 1.00 49.38 N ATOM 0 H ASN A 66 -4.859 2.346 5.815 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.234 3.549 6.709 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -3.175 1.380 8.051 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.745 0.954 7.131 1.00 49.82 H new ATOM 0 HD21 ASN A 66 0.134 2.409 9.666 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -0.431 0.919 8.902 1.00 49.38 H new ATOM 964 N VAL A 67 -2.061 3.415 4.186 1.00 49.53 N ATOM 965 CA VAL A 67 -1.089 3.628 3.119 1.00 50.07 C ATOM 966 C VAL A 67 -0.331 4.933 3.317 1.00 50.51 C ATOM 967 O VAL A 67 -0.912 6.016 3.248 1.00 49.49 O ATOM 968 CB VAL A 67 -1.763 3.641 1.734 1.00 49.91 C ATOM 969 CG1 VAL A 67 -0.725 3.826 0.638 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.547 2.356 1.511 1.00 49.73 C ATOM 0 H VAL A 67 -3.014 3.689 3.948 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.388 2.795 3.163 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.457 4.480 1.697 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.219 3.833 -0.334 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.204 4.772 0.787 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.007 3.006 0.674 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.017 2.382 0.528 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.871 1.503 1.568 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.316 2.261 2.278 1.00 49.73 H new ATOM 980 N THR A 68 0.970 4.826 3.562 1.00 49.53 N ATOM 981 CA THR A 68 1.807 5.997 3.787 1.00 50.07 C ATOM 982 C THR A 68 3.018 5.995 2.861 1.00 50.51 C ATOM 983 O THR A 68 3.484 4.938 2.434 1.00 49.49 O ATOM 984 CB THR A 68 2.290 6.075 5.246 1.00 50.14 C ATOM 985 OG1 THR A 68 3.087 4.922 5.552 1.00 49.34 O ATOM 986 CG2 THR A 68 1.106 6.136 6.198 1.00 49.73 C ATOM 0 H THR A 68 1.468 3.937 3.610 1.00 49.53 H new ATOM 0 HA THR A 68 1.190 6.869 3.572 1.00 50.07 H new ATOM 0 HB THR A 68 2.886 6.979 5.367 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.395 4.974 6.481 1.00 49.34 H new ATOM 0 HG21 THR A 68 1.467 6.191 7.225 1.00 49.73 H new ATOM 0 HG22 THR A 68 0.506 7.019 5.977 1.00 49.73 H new ATOM 0 HG23 THR A 68 0.494 5.242 6.076 1.00 49.73 H new ATOM 994 N SER A 69 3.523 7.185 2.554 1.00 49.53 N ATOM 995 CA SER A 69 4.685 7.322 1.683 1.00 50.07 C ATOM 996 C SER A 69 5.946 6.801 2.359 1.00 50.51 C ATOM 997 O SER A 69 6.155 7.015 3.554 1.00 49.49 O ATOM 998 CB SER A 69 4.863 8.772 1.277 1.00 50.05 C ATOM 999 OG SER A 69 6.015 8.963 0.501 1.00 49.34 O ATOM 0 H SER A 69 3.146 8.069 2.896 1.00 49.53 H new ATOM 0 HA SER A 69 4.513 6.721 0.790 1.00 50.07 H new ATOM 0 HB2 SER A 69 3.989 9.101 0.715 1.00 50.05 H new ATOM 0 HB3 SER A 69 4.920 9.394 2.170 1.00 50.05 H new ATOM 0 HG SER A 69 6.093 9.909 0.258 1.00 49.34 H new ATOM 1005 N LEU A 70 6.785 6.117 1.590 1.00 49.53 N ATOM 1006 CA LEU A 70 8.031 5.569 2.112 1.00 50.07 C ATOM 1007 C LEU A 70 9.225 6.410 1.679 1.00 50.51 C ATOM 1008 O LEU A 70 10.368 6.105 2.022 1.00 49.49 O ATOM 1009 CB LEU A 70 8.206 4.116 1.652 1.00 49.82 C ATOM 1010 CG LEU A 70 9.509 3.442 2.102 1.00 49.91 C ATOM 1011 CD1 LEU A 70 9.514 3.272 3.615 1.00 49.73 C ATOM 1012 CD2 LEU A 70 9.649 2.095 1.409 1.00 49.73 C ATOM 0 H LEU A 70 6.624 5.928 0.601 1.00 49.53 H new ATOM 0 HA LEU A 70 7.981 5.591 3.201 1.00 50.07 H new ATOM 0 HB2 LEU A 70 7.365 3.530 2.023 1.00 49.82 H new ATOM 0 HB3 LEU A 70 8.158 4.088 0.563 1.00 49.82 H new ATOM 0 HG LEU A 70 10.357 4.069 1.827 1.00 49.91 H new ATOM 0 HD11 LEU A 70 10.443 2.793 3.924 1.00 49.73 H new ATOM 0 HD12 LEU A 70 9.434 4.249 4.091 1.00 49.73 H new ATOM 0 HD13 LEU A 70 8.669 2.652 3.914 1.00 49.73 H new ATOM 0 HD21 LEU A 70 10.575 1.616 1.728 1.00 49.73 H new ATOM 0 HD22 LEU A 70 8.803 1.461 1.672 1.00 49.73 H new ATOM 0 HD23 LEU A 70 9.670 2.242 0.329 1.00 49.73 H new