USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=13 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 39 ASN : amide:sc= 1.21 K(o=2,f=-5.3!) USER MOD Set 1.2: A 69 SER OG : rot 65:sc= 0.744 USER MOD Set 2.1: A 33 HIS : no HD1:sc= 1.88 K(o=3.1,f=-8.8!) USER MOD Set 2.2: A 35 SER OG : rot -89:sc= 1.23 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 161:sc= -0.0218 (180deg=-0.3) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= 1.08 (180deg=0.901) USER MOD Single : A 13 ASN : amide:sc= -0.465 K(o=-0.47,f=-3.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -117:sc= -0.469 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.09) USER MOD Single : A 42 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.876 (180deg=0.876) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.28) 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 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.4) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 1.516 -6.515 6.675 1.00 49.53 N ATOM 37 CA LYS A 4 2.153 -5.261 6.290 1.00 50.07 C ATOM 38 C LYS A 4 3.280 -5.499 5.292 1.00 50.51 C ATOM 39 O LYS A 4 4.068 -6.431 5.443 1.00 49.49 O ATOM 40 CB LYS A 4 2.689 -4.532 7.523 1.00 49.82 C ATOM 41 CG LYS A 4 1.612 -4.054 8.489 1.00 49.82 C ATOM 42 CD LYS A 4 2.221 -3.385 9.712 1.00 49.82 C ATOM 43 CE LYS A 4 1.147 -2.938 10.691 1.00 50.21 C ATOM 44 NZ LYS A 4 1.731 -2.294 11.900 1.00 49.70 N ATOM 0 HA LYS A 4 1.398 -4.638 5.810 1.00 50.07 H new ATOM 0 HB2 LYS A 4 3.369 -5.197 8.056 1.00 49.82 H new ATOM 0 HB3 LYS A 4 3.274 -3.672 7.196 1.00 49.82 H new ATOM 0 HG2 LYS A 4 0.950 -3.353 7.981 1.00 49.82 H new ATOM 0 HG3 LYS A 4 1.000 -4.900 8.802 1.00 49.82 H new ATOM 0 HD2 LYS A 4 2.901 -4.078 10.207 1.00 49.82 H new ATOM 0 HD3 LYS A 4 2.813 -2.524 9.401 1.00 49.82 H new ATOM 0 HE2 LYS A 4 0.474 -2.238 10.196 1.00 50.21 H new ATOM 0 HE3 LYS A 4 0.549 -3.798 10.991 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 0.966 -2.004 12.542 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 2.354 -2.970 12.387 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 2.281 -1.458 11.617 1.00 49.70 H new ATOM 58 N MET A 5 3.349 -4.649 4.273 1.00 49.53 N ATOM 59 CA MET A 5 4.376 -4.767 3.246 1.00 50.07 C ATOM 60 C MET A 5 4.543 -3.461 2.480 1.00 50.51 C ATOM 61 O MET A 5 3.695 -2.572 2.556 1.00 49.49 O ATOM 62 CB MET A 5 4.033 -5.903 2.284 1.00 49.82 C ATOM 63 CG MET A 5 2.712 -5.726 1.547 1.00 49.86 C ATOM 64 SD MET A 5 2.156 -7.243 0.744 1.00 49.91 S ATOM 65 CE MET A 5 1.626 -8.201 2.160 1.00 49.78 C ATOM 0 H MET A 5 2.705 -3.870 4.137 1.00 49.53 H new ATOM 0 HA MET A 5 5.322 -4.992 3.740 1.00 50.07 H new ATOM 0 HB2 MET A 5 4.834 -5.997 1.551 1.00 49.82 H new ATOM 0 HB3 MET A 5 4.001 -6.839 2.842 1.00 49.82 H new ATOM 0 HG2 MET A 5 1.950 -5.392 2.251 1.00 49.86 H new ATOM 0 HG3 MET A 5 2.820 -4.942 0.798 1.00 49.86 H new ATOM 0 HE1 MET A 5 0.961 -8.999 1.831 1.00 49.78 H new ATOM 0 HE2 MET A 5 2.497 -8.634 2.653 1.00 49.78 H new ATOM 0 HE3 MET A 5 1.097 -7.554 2.860 1.00 49.78 H new ATOM 75 N THR A 6 5.643 -3.349 1.742 1.00 49.53 N ATOM 76 CA THR A 6 5.900 -2.172 0.922 1.00 50.07 C ATOM 77 C THR A 6 5.615 -2.451 -0.547 1.00 50.51 C ATOM 78 O THR A 6 5.527 -3.606 -0.963 1.00 49.49 O ATOM 79 CB THR A 6 7.353 -1.685 1.070 1.00 50.14 C ATOM 80 OG1 THR A 6 8.251 -2.709 0.619 1.00 49.34 O ATOM 81 CG2 THR A 6 7.660 -1.354 2.522 1.00 49.73 C ATOM 0 H THR A 6 6.372 -4.061 1.696 1.00 49.53 H new ATOM 0 HA THR A 6 5.228 -1.391 1.277 1.00 50.07 H new ATOM 0 HB THR A 6 7.481 -0.786 0.467 1.00 50.14 H new ATOM 0 HG1 THR A 6 9.176 -2.398 0.712 1.00 49.34 H new ATOM 0 HG21 THR A 6 8.691 -1.012 2.607 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.987 -0.568 2.866 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.522 -2.244 3.135 1.00 49.73 H new ATOM 89 N GLY A 7 5.471 -1.387 -1.330 1.00 49.53 N ATOM 90 CA GLY A 7 5.190 -1.517 -2.755 1.00 49.98 C ATOM 91 C GLY A 7 5.174 -0.156 -3.439 1.00 50.51 C ATOM 92 O GLY A 7 5.751 0.808 -2.936 1.00 49.49 O ATOM 0 H GLY A 7 5.544 -0.424 -1.001 1.00 49.53 H new ATOM 0 HA2 GLY A 7 5.944 -2.152 -3.221 1.00 49.98 H new ATOM 0 HA3 GLY A 7 4.228 -2.009 -2.895 1.00 49.98 H new ATOM 96 N ILE A 8 4.510 -0.085 -4.588 1.00 49.53 N ATOM 97 CA ILE A 8 4.379 1.169 -5.321 1.00 50.07 C ATOM 98 C ILE A 8 2.928 1.443 -5.690 1.00 50.51 C ATOM 99 O ILE A 8 2.107 0.527 -5.739 1.00 49.49 O ATOM 100 CB ILE A 8 5.234 1.167 -6.602 1.00 49.91 C ATOM 101 CG1 ILE A 8 4.815 0.016 -7.520 1.00 49.82 C ATOM 102 CG2 ILE A 8 6.711 1.064 -6.255 1.00 49.73 C ATOM 103 CD1 ILE A 8 5.449 0.067 -8.892 1.00 49.73 C ATOM 0 H ILE A 8 4.054 -0.882 -5.032 1.00 49.53 H new ATOM 0 HA ILE A 8 4.736 1.958 -4.659 1.00 50.07 H new ATOM 0 HB ILE A 8 5.071 2.106 -7.130 1.00 49.91 H new ATOM 0 HG12 ILE A 8 5.076 -0.929 -7.044 1.00 49.82 H new ATOM 0 HG13 ILE A 8 3.731 0.028 -7.630 1.00 49.82 H new ATOM 0 HG21 ILE A 8 7.301 1.064 -7.172 1.00 49.73 H new ATOM 0 HG22 ILE A 8 7.000 1.915 -5.638 1.00 49.73 H new ATOM 0 HG23 ILE A 8 6.892 0.140 -5.707 1.00 49.73 H new ATOM 0 HD11 ILE A 8 5.104 -0.781 -9.484 1.00 49.73 H new ATOM 0 HD12 ILE A 8 5.167 0.995 -9.389 1.00 49.73 H new ATOM 0 HD13 ILE A 8 6.534 0.023 -8.793 1.00 49.73 H new ATOM 115 N VAL A 9 2.617 2.708 -5.949 1.00 49.53 N ATOM 116 CA VAL A 9 1.303 3.087 -6.456 1.00 50.07 C ATOM 117 C VAL A 9 1.163 2.744 -7.934 1.00 50.51 C ATOM 118 O VAL A 9 1.933 3.221 -8.766 1.00 49.49 O ATOM 119 CB VAL A 9 1.032 4.590 -6.260 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.321 4.968 -6.841 1.00 49.73 C ATOM 121 CG2 VAL A 9 1.097 4.955 -4.784 1.00 49.73 C ATOM 0 H VAL A 9 3.258 3.490 -5.816 1.00 49.53 H new ATOM 0 HA VAL A 9 0.570 2.519 -5.883 1.00 50.07 H new ATOM 0 HB VAL A 9 1.803 5.150 -6.789 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -0.495 6.034 -6.693 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.335 4.742 -7.907 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -1.104 4.399 -6.340 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.903 6.021 -4.664 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.347 4.386 -4.235 1.00 49.73 H new ATOM 0 HG23 VAL A 9 2.088 4.720 -4.394 1.00 49.73 H new ATOM 131 N LYS A 10 0.175 1.916 -8.252 1.00 49.53 N ATOM 132 CA LYS A 10 -0.057 1.493 -9.628 1.00 50.07 C ATOM 133 C LYS A 10 -1.008 2.443 -10.343 1.00 50.51 C ATOM 134 O LYS A 10 -0.780 2.816 -11.494 1.00 49.49 O ATOM 135 CB LYS A 10 -0.612 0.069 -9.665 1.00 49.82 C ATOM 136 CG LYS A 10 -0.927 -0.448 -11.063 1.00 49.82 C ATOM 137 CD LYS A 10 -1.315 -1.920 -11.035 1.00 49.82 C ATOM 138 CE LYS A 10 -1.648 -2.430 -12.428 1.00 50.21 C ATOM 139 NZ LYS A 10 -1.736 -3.916 -12.470 1.00 49.70 N ATOM 0 H LYS A 10 -0.479 1.524 -7.575 1.00 49.53 H new ATOM 0 HA LYS A 10 0.901 1.513 -10.148 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.109 -0.601 -9.197 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -1.520 0.030 -9.063 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -1.740 0.136 -11.494 1.00 49.82 H new ATOM 0 HG3 LYS A 10 -0.059 -0.311 -11.708 1.00 49.82 H new ATOM 0 HD2 LYS A 10 -0.497 -2.506 -10.617 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -2.174 -2.059 -10.379 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -2.595 -2.001 -12.755 1.00 50.21 H new ATOM 0 HE3 LYS A 10 -0.886 -2.092 -13.130 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 -2.205 -4.211 -13.350 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 -0.779 -4.322 -12.435 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -2.286 -4.254 -11.654 1.00 49.70 H new ATOM 153 N TRP A 11 -2.076 2.833 -9.655 1.00 49.53 N ATOM 154 CA TRP A 11 -3.067 3.740 -10.225 1.00 50.07 C ATOM 155 C TRP A 11 -3.886 4.416 -9.133 1.00 50.51 C ATOM 156 O TRP A 11 -4.108 3.845 -8.065 1.00 49.49 O ATOM 157 CB TRP A 11 -3.991 2.985 -11.182 1.00 49.82 C ATOM 158 CG TRP A 11 -5.173 3.790 -11.629 1.00 49.97 C ATOM 159 CD1 TRP A 11 -6.470 3.614 -11.246 1.00 50.03 C ATOM 160 CD2 TRP A 11 -5.170 4.894 -12.542 1.00 49.98 C ATOM 161 NE1 TRP A 11 -7.275 4.538 -11.863 1.00 49.39 N ATOM 162 CE2 TRP A 11 -6.499 5.338 -12.664 1.00 50.13 C ATOM 163 CE3 TRP A 11 -4.168 5.551 -13.268 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -6.854 6.402 -13.479 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -4.525 6.617 -14.083 1.00 49.88 C ATOM 166 CH2 TRP A 11 -5.829 7.032 -14.185 1.00 49.88 C ATOM 0 H TRP A 11 -2.278 2.535 -8.701 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.534 4.513 -10.780 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -3.420 2.675 -12.057 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -4.344 2.077 -10.694 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -6.814 2.857 -10.557 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -8.285 4.617 -11.746 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -3.138 5.235 -13.195 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -7.880 6.729 -13.564 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -3.761 7.130 -14.648 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -6.068 7.867 -14.828 1.00 49.88 H new ATOM 177 N PHE A 12 -4.334 5.637 -9.409 1.00 49.53 N ATOM 178 CA PHE A 12 -5.251 6.335 -8.515 1.00 50.07 C ATOM 179 C PHE A 12 -6.161 7.279 -9.288 1.00 50.51 C ATOM 180 O PHE A 12 -5.695 8.083 -10.097 1.00 49.49 O ATOM 181 CB PHE A 12 -4.472 7.109 -7.450 1.00 49.82 C ATOM 182 CG PHE A 12 -5.347 7.829 -6.463 1.00 50.00 C ATOM 183 CD1 PHE A 12 -6.002 7.132 -5.459 1.00 49.88 C ATOM 184 CD2 PHE A 12 -5.516 9.203 -6.538 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.808 7.793 -4.551 1.00 49.88 C ATOM 186 CE2 PHE A 12 -6.320 9.866 -5.631 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.966 9.160 -4.636 1.00 49.88 C ATOM 0 H PHE A 12 -4.077 6.163 -10.244 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.875 5.587 -8.025 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.826 6.417 -6.911 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -3.823 7.833 -7.942 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.881 6.061 -5.386 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -5.014 9.761 -7.314 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -7.314 7.238 -3.775 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -6.443 10.937 -5.700 1.00 49.88 H new ATOM 0 HZ PHE A 12 -7.594 9.677 -3.926 1.00 49.88 H new ATOM 197 N ASN A 13 -7.461 7.179 -9.037 1.00 49.53 N ATOM 198 CA ASN A 13 -8.435 8.063 -9.666 1.00 50.07 C ATOM 199 C ASN A 13 -9.304 8.756 -8.624 1.00 50.51 C ATOM 200 O ASN A 13 -10.254 8.171 -8.104 1.00 49.49 O ATOM 201 CB ASN A 13 -9.304 7.315 -10.660 1.00 49.82 C ATOM 202 CG ASN A 13 -10.282 8.194 -11.391 1.00 50.55 C ATOM 203 OD1 ASN A 13 -10.146 9.422 -11.415 1.00 49.45 O ATOM 204 ND2 ASN A 13 -11.310 7.579 -11.918 1.00 49.38 N ATOM 0 H ASN A 13 -7.866 6.493 -8.400 1.00 49.53 H new ATOM 0 HA ASN A 13 -7.874 8.824 -10.209 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -8.663 6.817 -11.387 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -9.854 6.535 -10.133 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -12.046 8.117 -12.375 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -11.375 6.562 -11.871 1.00 49.38 H new ATOM 211 N ALA A 14 -8.972 10.007 -8.322 1.00 49.53 N ATOM 212 CA ALA A 14 -9.663 10.752 -7.278 1.00 50.07 C ATOM 213 C ALA A 14 -11.143 10.914 -7.603 1.00 50.51 C ATOM 214 O ALA A 14 -11.973 11.073 -6.706 1.00 49.49 O ATOM 215 CB ALA A 14 -9.011 12.112 -7.074 1.00 49.73 C ATOM 0 H ALA A 14 -8.227 10.526 -8.787 1.00 49.53 H new ATOM 0 HA ALA A 14 -9.583 10.183 -6.352 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -9.540 12.655 -6.291 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -7.970 11.976 -6.782 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -9.056 12.680 -8.003 1.00 49.73 H new ATOM 221 N ASP A 15 -11.467 10.873 -8.891 1.00 49.53 N ATOM 222 CA ASP A 15 -12.847 11.029 -9.338 1.00 50.07 C ATOM 223 C ASP A 15 -13.744 9.950 -8.746 1.00 50.51 C ATOM 224 O ASP A 15 -14.934 10.171 -8.526 1.00 49.49 O ATOM 225 CB ASP A 15 -12.922 10.997 -10.866 1.00 49.72 C ATOM 226 CG ASP A 15 -12.376 12.242 -11.551 1.00 50.62 C ATOM 227 OD1 ASP A 15 -12.159 13.220 -10.875 1.00 49.24 O ATOM 228 OD2 ASP A 15 -12.035 12.160 -12.706 1.00 49.24 O ATOM 0 H ASP A 15 -10.793 10.733 -9.644 1.00 49.53 H new ATOM 0 HA ASP A 15 -13.203 11.997 -8.987 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -12.371 10.128 -11.226 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -13.962 10.861 -11.163 1.00 49.72 H new ATOM 233 N LYS A 16 -13.165 8.781 -8.493 1.00 49.53 N ATOM 234 CA LYS A 16 -13.902 7.676 -7.891 1.00 50.07 C ATOM 235 C LYS A 16 -13.527 7.496 -6.426 1.00 50.51 C ATOM 236 O LYS A 16 -14.332 7.024 -5.623 1.00 49.49 O ATOM 237 CB LYS A 16 -13.648 6.379 -8.664 1.00 49.82 C ATOM 238 CG LYS A 16 -14.169 6.388 -10.094 1.00 49.82 C ATOM 239 CD LYS A 16 -13.880 5.068 -10.794 1.00 49.82 C ATOM 240 CE LYS A 16 -14.363 5.090 -12.238 1.00 50.21 C ATOM 241 NZ LYS A 16 -13.990 3.848 -12.968 1.00 49.70 N ATOM 0 H LYS A 16 -12.187 8.574 -8.696 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.964 7.916 -7.942 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.576 6.185 -8.682 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -14.112 5.553 -8.126 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -15.243 6.573 -10.091 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.706 7.205 -10.647 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -12.809 4.868 -10.770 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -14.368 4.255 -10.257 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -15.446 5.210 -12.256 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -13.938 5.953 -12.750 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -14.337 3.903 -13.947 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -12.955 3.746 -12.973 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -14.417 3.026 -12.495 1.00 49.70 H new ATOM 255 N GLY A 17 -12.300 7.874 -6.084 1.00 49.53 N ATOM 256 CA GLY A 17 -11.805 7.726 -4.721 1.00 49.98 C ATOM 257 C GLY A 17 -11.169 6.357 -4.513 1.00 50.51 C ATOM 258 O GLY A 17 -11.067 5.874 -3.385 1.00 49.49 O ATOM 0 H GLY A 17 -11.630 8.286 -6.733 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -11.073 8.506 -4.510 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -12.626 7.860 -4.016 1.00 49.98 H new ATOM 262 N PHE A 18 -10.742 5.736 -5.607 1.00 49.53 N ATOM 263 CA PHE A 18 -10.141 4.408 -5.550 1.00 50.07 C ATOM 264 C PHE A 18 -8.804 4.377 -6.280 1.00 50.51 C ATOM 265 O PHE A 18 -8.573 5.153 -7.206 1.00 49.49 O ATOM 266 CB PHE A 18 -11.090 3.367 -6.143 1.00 49.82 C ATOM 267 CG PHE A 18 -12.334 3.148 -5.331 1.00 50.00 C ATOM 268 CD1 PHE A 18 -12.345 2.243 -4.282 1.00 49.88 C ATOM 269 CD2 PHE A 18 -13.496 3.849 -5.617 1.00 49.88 C ATOM 270 CE1 PHE A 18 -13.490 2.040 -3.535 1.00 49.88 C ATOM 271 CE2 PHE A 18 -14.642 3.648 -4.870 1.00 49.88 C ATOM 272 CZ PHE A 18 -14.640 2.745 -3.830 1.00 49.88 C ATOM 0 H PHE A 18 -10.801 6.131 -6.545 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.961 4.167 -4.502 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -11.374 3.679 -7.148 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.560 2.420 -6.241 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -11.448 1.690 -4.045 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -13.506 4.559 -6.431 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -13.485 1.330 -2.721 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -15.541 4.200 -5.102 1.00 49.88 H new ATOM 0 HZ PHE A 18 -15.535 2.589 -3.247 1.00 49.88 H new ATOM 282 N GLY A 19 -7.926 3.474 -5.856 1.00 49.53 N ATOM 283 CA GLY A 19 -6.664 3.248 -6.551 1.00 49.98 C ATOM 284 C GLY A 19 -6.168 1.823 -6.342 1.00 50.51 C ATOM 285 O GLY A 19 -6.834 1.012 -5.699 1.00 49.49 O ATOM 0 H GLY A 19 -8.065 2.886 -5.034 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.793 3.438 -7.616 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.915 3.953 -6.190 1.00 49.98 H new ATOM 289 N PHE A 20 -4.996 1.523 -6.891 1.00 49.53 N ATOM 290 CA PHE A 20 -4.403 0.197 -6.757 1.00 50.07 C ATOM 291 C PHE A 20 -2.952 0.286 -6.303 1.00 50.51 C ATOM 292 O PHE A 20 -2.173 1.075 -6.835 1.00 49.49 O ATOM 293 CB PHE A 20 -4.496 -0.564 -8.080 1.00 49.82 C ATOM 294 CG PHE A 20 -5.904 -0.796 -8.550 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.622 -1.901 -8.117 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.514 0.091 -9.424 1.00 49.88 C ATOM 297 CE1 PHE A 20 -7.917 -2.116 -8.549 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.810 -0.121 -9.856 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.511 -1.224 -9.418 1.00 49.88 C ATOM 0 H PHE A 20 -4.437 2.181 -7.434 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.964 -0.346 -5.996 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -3.954 -0.009 -8.846 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -3.997 -1.527 -7.970 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -6.164 -2.601 -7.434 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -5.970 0.957 -9.771 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -8.464 -2.982 -8.206 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -8.273 0.578 -10.537 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.524 -1.390 -9.755 1.00 49.88 H new ATOM 309 N ILE A 21 -2.596 -0.531 -5.318 1.00 49.53 N ATOM 310 CA ILE A 21 -1.217 -0.610 -4.849 1.00 50.07 C ATOM 311 C ILE A 21 -0.594 -1.956 -5.192 1.00 50.51 C ATOM 312 O ILE A 21 -1.162 -3.008 -4.892 1.00 49.49 O ATOM 313 CB ILE A 21 -1.123 -0.384 -3.329 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.801 0.934 -2.942 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.329 -0.389 -2.879 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.153 2.156 -3.552 1.00 49.73 C ATOM 0 H ILE A 21 -3.244 -1.148 -4.828 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.667 0.181 -5.359 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.642 -1.200 -2.825 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -2.846 0.898 -3.248 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -1.790 1.032 -1.856 1.00 49.82 H new ATOM 0 HG21 ILE A 21 0.377 -0.228 -1.802 1.00 49.73 H new ATOM 0 HG22 ILE A 21 0.782 -1.350 -3.123 1.00 49.73 H new ATOM 0 HG23 ILE A 21 0.871 0.407 -3.389 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.689 3.050 -3.232 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -0.115 2.219 -3.226 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -1.188 2.082 -4.639 1.00 49.73 H new ATOM 328 N THR A 22 0.575 -1.920 -5.822 1.00 49.53 N ATOM 329 CA THR A 22 1.270 -3.138 -6.218 1.00 50.07 C ATOM 330 C THR A 22 2.422 -3.448 -5.270 1.00 50.51 C ATOM 331 O THR A 22 3.361 -2.662 -5.141 1.00 49.49 O ATOM 332 CB THR A 22 1.816 -3.036 -7.655 1.00 50.14 C ATOM 333 OG1 THR A 22 0.726 -2.850 -8.569 1.00 49.34 O ATOM 334 CG2 THR A 22 2.575 -4.298 -8.029 1.00 49.73 C ATOM 0 H THR A 22 1.062 -1.058 -6.070 1.00 49.53 H new ATOM 0 HA THR A 22 0.538 -3.945 -6.173 1.00 50.07 H new ATOM 0 HB THR A 22 2.497 -2.186 -7.710 1.00 50.14 H new ATOM 0 HG1 THR A 22 0.680 -3.612 -9.183 1.00 49.34 H new ATOM 0 HG21 THR A 22 2.953 -4.207 -9.047 1.00 49.73 H new ATOM 0 HG22 THR A 22 3.411 -4.437 -7.343 1.00 49.73 H new ATOM 0 HG23 THR A 22 1.907 -5.157 -7.965 1.00 49.73 H new ATOM 342 N PRO A 23 2.345 -4.597 -4.610 1.00 49.71 N ATOM 343 CA PRO A 23 3.375 -5.007 -3.661 1.00 50.02 C ATOM 344 C PRO A 23 4.743 -5.069 -4.328 1.00 50.51 C ATOM 345 O PRO A 23 4.852 -5.355 -5.520 1.00 49.49 O ATOM 346 CB PRO A 23 2.906 -6.388 -3.171 1.00 49.82 C ATOM 347 CG PRO A 23 1.418 -6.391 -3.386 1.00 49.82 C ATOM 348 CD PRO A 23 1.327 -5.638 -4.808 1.00 50.00 C ATOM 0 HA PRO A 23 3.495 -4.303 -2.837 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.387 -7.190 -3.731 1.00 49.82 H new ATOM 0 HB3 PRO A 23 3.154 -6.539 -2.120 1.00 49.82 H new ATOM 0 HG2 PRO A 23 1.006 -7.400 -3.424 1.00 49.82 H new ATOM 0 HG3 PRO A 23 0.884 -5.858 -2.599 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.561 -6.297 -5.644 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.337 -5.223 -4.997 1.00 50.00 H new ATOM 356 N ASP A 24 5.787 -4.800 -3.549 1.00 49.53 N ATOM 357 CA ASP A 24 7.149 -4.802 -4.067 1.00 50.07 C ATOM 358 C ASP A 24 7.542 -6.182 -4.581 1.00 50.51 C ATOM 359 O ASP A 24 8.431 -6.312 -5.422 1.00 49.49 O ATOM 360 CB ASP A 24 8.133 -4.342 -2.990 1.00 49.72 C ATOM 361 CG ASP A 24 9.532 -4.031 -3.507 1.00 50.62 C ATOM 362 OD1 ASP A 24 9.651 -3.197 -4.373 1.00 49.24 O ATOM 363 OD2 ASP A 24 10.477 -4.509 -2.928 1.00 49.24 O ATOM 0 H ASP A 24 5.714 -4.578 -2.556 1.00 49.53 H new ATOM 0 HA ASP A 24 7.188 -4.104 -4.903 1.00 50.07 H new ATOM 0 HB2 ASP A 24 7.732 -3.452 -2.505 1.00 49.72 H new ATOM 0 HB3 ASP A 24 8.205 -5.116 -2.226 1.00 49.72 H new ATOM 368 N ASP A 25 6.873 -7.210 -4.070 1.00 49.53 N ATOM 369 CA ASP A 25 7.120 -8.579 -4.508 1.00 50.07 C ATOM 370 C ASP A 25 6.735 -8.768 -5.969 1.00 50.51 C ATOM 371 O ASP A 25 7.200 -9.698 -6.628 1.00 49.49 O ATOM 372 CB ASP A 25 6.352 -9.570 -3.629 1.00 49.72 C ATOM 373 CG ASP A 25 6.925 -9.744 -2.229 1.00 50.62 C ATOM 374 OD1 ASP A 25 8.025 -9.299 -1.999 1.00 49.24 O ATOM 375 OD2 ASP A 25 6.202 -10.176 -1.363 1.00 49.24 O ATOM 0 H ASP A 25 6.155 -7.121 -3.351 1.00 49.53 H new ATOM 0 HA ASP A 25 8.188 -8.773 -4.410 1.00 50.07 H new ATOM 0 HB2 ASP A 25 5.317 -9.237 -3.546 1.00 49.72 H new ATOM 0 HB3 ASP A 25 6.336 -10.540 -4.125 1.00 49.72 H new ATOM 380 N GLY A 26 5.883 -7.880 -6.472 1.00 49.53 N ATOM 381 CA GLY A 26 5.430 -7.952 -7.856 1.00 49.98 C ATOM 382 C GLY A 26 4.181 -8.815 -7.983 1.00 50.51 C ATOM 383 O GLY A 26 3.787 -9.194 -9.085 1.00 49.49 O ATOM 0 H GLY A 26 5.492 -7.102 -5.941 1.00 49.53 H new ATOM 0 HA2 GLY A 26 5.221 -6.948 -8.225 1.00 49.98 H new ATOM 0 HA3 GLY A 26 6.224 -8.362 -8.480 1.00 49.98 H new ATOM 387 N SER A 27 3.565 -9.125 -6.847 1.00 49.53 N ATOM 388 CA SER A 27 2.357 -9.941 -6.829 1.00 50.07 C ATOM 389 C SER A 27 1.146 -9.145 -7.297 1.00 50.51 C ATOM 390 O SER A 27 1.240 -7.943 -7.544 1.00 49.49 O ATOM 391 CB SER A 27 2.120 -10.493 -5.438 1.00 50.05 C ATOM 392 OG SER A 27 1.776 -9.488 -4.523 1.00 49.34 O ATOM 0 H SER A 27 3.883 -8.823 -5.926 1.00 49.53 H new ATOM 0 HA SER A 27 2.499 -10.771 -7.521 1.00 50.07 H new ATOM 0 HB2 SER A 27 1.324 -11.237 -5.475 1.00 50.05 H new ATOM 0 HB3 SER A 27 3.019 -11.004 -5.093 1.00 50.05 H new ATOM 0 HG SER A 27 1.630 -9.886 -3.639 1.00 49.34 H new ATOM 398 N LYS A 28 0.008 -9.822 -7.418 1.00 49.53 N ATOM 399 CA LYS A 28 -1.221 -9.179 -7.865 1.00 50.07 C ATOM 400 C LYS A 28 -1.527 -7.937 -7.038 1.00 50.51 C ATOM 401 O LYS A 28 -1.547 -7.988 -5.808 1.00 49.49 O ATOM 402 CB LYS A 28 -2.393 -10.160 -7.794 1.00 49.82 C ATOM 403 CG LYS A 28 -3.711 -9.604 -8.317 1.00 49.82 C ATOM 404 CD LYS A 28 -4.810 -10.655 -8.279 1.00 49.82 C ATOM 405 CE LYS A 28 -6.136 -10.089 -8.762 1.00 50.21 C ATOM 406 NZ LYS A 28 -7.209 -11.120 -8.779 1.00 49.70 N ATOM 0 H LYS A 28 -0.088 -10.816 -7.212 1.00 49.53 H new ATOM 0 HA LYS A 28 -1.078 -8.870 -8.901 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -2.138 -11.054 -8.364 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -2.529 -10.470 -6.758 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -4.008 -8.743 -7.718 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -3.578 -9.251 -9.340 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -4.526 -11.503 -8.902 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -4.922 -11.030 -7.262 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -6.436 -9.265 -8.115 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -6.012 -9.679 -9.764 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -8.096 -10.693 -9.114 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -6.936 -11.895 -9.416 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -7.346 -11.494 -7.818 1.00 49.70 H new ATOM 420 N ASP A 29 -1.763 -6.823 -7.719 1.00 49.53 N ATOM 421 CA ASP A 29 -2.067 -5.564 -7.048 1.00 50.07 C ATOM 422 C ASP A 29 -3.323 -5.685 -6.193 1.00 50.51 C ATOM 423 O ASP A 29 -4.165 -6.549 -6.430 1.00 49.49 O ATOM 424 CB ASP A 29 -2.232 -4.436 -8.070 1.00 49.72 C ATOM 425 CG ASP A 29 -3.443 -4.587 -8.981 1.00 50.62 C ATOM 426 OD1 ASP A 29 -4.543 -4.454 -8.501 1.00 49.24 O ATOM 427 OD2 ASP A 29 -3.257 -4.675 -10.171 1.00 49.24 O ATOM 0 H ASP A 29 -1.750 -6.765 -8.737 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.230 -5.326 -6.392 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -2.309 -3.488 -7.538 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -1.334 -4.385 -8.685 1.00 49.72 H new ATOM 432 N VAL A 30 -3.442 -4.810 -5.201 1.00 49.53 N ATOM 433 CA VAL A 30 -4.616 -4.788 -4.336 1.00 50.07 C ATOM 434 C VAL A 30 -5.251 -3.403 -4.304 1.00 50.51 C ATOM 435 O VAL A 30 -4.559 -2.396 -4.153 1.00 49.49 O ATOM 436 CB VAL A 30 -4.268 -5.215 -2.898 1.00 49.91 C ATOM 437 CG1 VAL A 30 -5.511 -5.201 -2.022 1.00 49.73 C ATOM 438 CG2 VAL A 30 -3.628 -6.595 -2.892 1.00 49.73 C ATOM 0 H VAL A 30 -2.739 -4.106 -4.976 1.00 49.53 H new ATOM 0 HA VAL A 30 -5.326 -5.501 -4.754 1.00 50.07 H new ATOM 0 HB VAL A 30 -3.552 -4.501 -2.491 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -5.246 -5.505 -1.009 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -5.930 -4.195 -2.001 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -6.250 -5.893 -2.427 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -3.389 -6.881 -1.868 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -4.322 -7.320 -3.318 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -2.714 -6.575 -3.486 1.00 49.73 H new ATOM 448 N PHE A 31 -6.571 -3.360 -4.449 1.00 49.53 N ATOM 449 CA PHE A 31 -7.296 -2.095 -4.492 1.00 50.07 C ATOM 450 C PHE A 31 -7.257 -1.391 -3.143 1.00 50.51 C ATOM 451 O PHE A 31 -7.134 -2.034 -2.099 1.00 49.49 O ATOM 452 CB PHE A 31 -8.745 -2.326 -4.926 1.00 49.82 C ATOM 453 CG PHE A 31 -9.515 -3.234 -4.009 1.00 50.00 C ATOM 454 CD1 PHE A 31 -10.210 -2.722 -2.925 1.00 49.88 C ATOM 455 CD2 PHE A 31 -9.543 -4.603 -4.232 1.00 49.88 C ATOM 456 CE1 PHE A 31 -10.917 -3.557 -2.082 1.00 49.88 C ATOM 457 CE2 PHE A 31 -10.252 -5.440 -3.391 1.00 49.88 C ATOM 458 CZ PHE A 31 -10.939 -4.916 -2.315 1.00 49.88 C ATOM 0 H PHE A 31 -7.161 -4.187 -4.539 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.805 -1.452 -5.223 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -9.255 -1.364 -4.983 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.751 -2.749 -5.930 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -10.199 -1.658 -2.737 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -9.005 -5.019 -5.071 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -11.453 -3.145 -1.240 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -10.268 -6.504 -3.576 1.00 49.88 H new ATOM 0 HZ PHE A 31 -11.493 -5.569 -1.657 1.00 49.88 H new ATOM 468 N VAL A 32 -7.365 -0.068 -3.167 1.00 49.53 N ATOM 469 CA VAL A 32 -7.334 0.727 -1.946 1.00 50.07 C ATOM 470 C VAL A 32 -8.270 1.926 -2.044 1.00 50.51 C ATOM 471 O VAL A 32 -8.326 2.599 -3.072 1.00 49.49 O ATOM 472 CB VAL A 32 -5.910 1.225 -1.633 1.00 49.91 C ATOM 473 CG1 VAL A 32 -5.376 2.067 -2.781 1.00 49.73 C ATOM 474 CG2 VAL A 32 -5.898 2.024 -0.338 1.00 49.73 C ATOM 0 H VAL A 32 -7.475 0.478 -4.021 1.00 49.53 H new ATOM 0 HA VAL A 32 -7.668 0.075 -1.139 1.00 50.07 H new ATOM 0 HB VAL A 32 -5.261 0.358 -1.510 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -4.369 2.410 -2.543 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -5.349 1.467 -3.691 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -6.026 2.928 -2.934 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -4.884 2.368 -0.132 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -6.560 2.884 -0.435 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -6.241 1.393 0.482 1.00 49.73 H new ATOM 484 N HIS A 33 -9.005 2.184 -0.967 1.00 49.53 N ATOM 485 CA HIS A 33 -9.848 3.370 -0.883 1.00 50.07 C ATOM 486 C HIS A 33 -9.043 4.591 -0.461 1.00 50.51 C ATOM 487 O HIS A 33 -8.148 4.497 0.380 1.00 49.49 O ATOM 488 CB HIS A 33 -11.006 3.143 0.095 1.00 49.92 C ATOM 489 CG HIS A 33 -12.085 4.176 -0.001 1.00 50.22 C ATOM 490 ND1 HIS A 33 -11.973 5.424 0.575 1.00 49.30 N ATOM 491 CD2 HIS A 33 -13.298 4.146 -0.603 1.00 49.95 C ATOM 492 CE1 HIS A 33 -13.072 6.118 0.330 1.00 50.25 C ATOM 493 NE2 HIS A 33 -13.891 5.366 -0.383 1.00 49.64 N ATOM 0 H HIS A 33 -9.033 1.587 -0.140 1.00 49.53 H new ATOM 0 HA HIS A 33 -10.256 3.555 -1.877 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -11.439 2.160 -0.090 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -10.614 3.133 1.112 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -13.720 3.318 -1.153 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -13.267 7.129 0.658 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -14.814 5.645 -0.716 1.00 49.64 H new ATOM 501 N PHE A 34 -9.364 5.739 -1.050 1.00 49.53 N ATOM 502 CA PHE A 34 -8.573 6.949 -0.853 1.00 50.07 C ATOM 503 C PHE A 34 -8.572 7.372 0.611 1.00 50.51 C ATOM 504 O PHE A 34 -7.674 8.084 1.059 1.00 49.49 O ATOM 505 CB PHE A 34 -9.107 8.084 -1.729 1.00 49.82 C ATOM 506 CG PHE A 34 -10.204 8.883 -1.084 1.00 50.00 C ATOM 507 CD1 PHE A 34 -9.904 9.939 -0.235 1.00 49.88 C ATOM 508 CD2 PHE A 34 -11.536 8.583 -1.325 1.00 49.88 C ATOM 509 CE1 PHE A 34 -10.911 10.674 0.359 1.00 49.88 C ATOM 510 CE2 PHE A 34 -12.544 9.317 -0.733 1.00 49.88 C ATOM 511 CZ PHE A 34 -12.231 10.365 0.110 1.00 49.88 C ATOM 0 H PHE A 34 -10.167 5.857 -1.668 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.546 6.730 -1.145 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.284 8.753 -1.983 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.477 7.665 -2.665 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -8.872 10.189 -0.037 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -11.788 7.765 -1.984 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -10.664 11.492 1.019 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -13.577 9.072 -0.929 1.00 49.88 H new ATOM 0 HZ PHE A 34 -13.018 10.941 0.573 1.00 49.88 H new ATOM 521 N SER A 35 -9.583 6.932 1.351 1.00 49.53 N ATOM 522 CA SER A 35 -9.691 7.250 2.769 1.00 50.07 C ATOM 523 C SER A 35 -8.578 6.586 3.569 1.00 50.51 C ATOM 524 O SER A 35 -8.276 6.997 4.690 1.00 49.49 O ATOM 525 CB SER A 35 -11.047 6.825 3.298 1.00 50.05 C ATOM 526 OG SER A 35 -11.204 5.432 3.286 1.00 49.34 O ATOM 0 H SER A 35 -10.341 6.353 0.991 1.00 49.53 H new ATOM 0 HA SER A 35 -9.588 8.329 2.883 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.171 7.195 4.316 1.00 50.05 H new ATOM 0 HB3 SER A 35 -11.831 7.283 2.695 1.00 50.05 H new ATOM 0 HG SER A 35 -11.581 5.153 2.425 1.00 49.34 H new ATOM 532 N ALA A 36 -7.970 5.559 2.987 1.00 49.53 N ATOM 533 CA ALA A 36 -6.888 4.834 3.644 1.00 50.07 C ATOM 534 C ALA A 36 -5.540 5.487 3.363 1.00 50.51 C ATOM 535 O ALA A 36 -4.494 4.957 3.739 1.00 49.49 O ATOM 536 CB ALA A 36 -6.880 3.379 3.204 1.00 49.73 C ATOM 0 H ALA A 36 -8.208 5.209 2.059 1.00 49.53 H new ATOM 0 HA ALA A 36 -7.060 4.871 4.720 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -6.067 2.852 3.703 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.830 2.914 3.468 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.738 3.326 2.125 1.00 49.73 H new ATOM 542 N ILE A 37 -5.571 6.636 2.698 1.00 49.53 N ATOM 543 CA ILE A 37 -4.356 7.391 2.416 1.00 50.07 C ATOM 544 C ILE A 37 -3.919 8.206 3.627 1.00 50.51 C ATOM 545 O ILE A 37 -4.644 9.087 4.088 1.00 49.49 O ATOM 546 CB ILE A 37 -4.544 8.335 1.215 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.857 7.533 -0.051 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.305 9.193 1.013 1.00 49.73 C ATOM 549 CD1 ILE A 37 -5.283 8.386 -1.225 1.00 49.73 C ATOM 0 H ILE A 37 -6.426 7.066 2.344 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.582 6.662 2.176 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.387 8.994 1.422 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -3.975 6.958 -0.333 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.647 6.816 0.171 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.456 9.854 0.160 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.126 9.790 1.907 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.444 8.551 0.827 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -5.487 7.747 -2.084 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -6.184 8.941 -0.963 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -4.485 9.086 -1.475 1.00 49.73 H new ATOM 561 N GLN A 38 -2.730 7.904 4.138 1.00 49.53 N ATOM 562 CA GLN A 38 -2.240 8.536 5.358 1.00 50.07 C ATOM 563 C GLN A 38 -1.328 9.713 5.039 1.00 50.51 C ATOM 564 O GLN A 38 -0.787 10.355 5.939 1.00 49.49 O ATOM 565 CB GLN A 38 -1.488 7.520 6.222 1.00 49.82 C ATOM 566 CG GLN A 38 -2.309 6.299 6.602 1.00 49.82 C ATOM 567 CD GLN A 38 -3.551 6.661 7.393 1.00 50.55 C ATOM 568 OE1 GLN A 38 -3.490 7.427 8.358 1.00 49.45 O ATOM 569 NE2 GLN A 38 -4.690 6.107 6.991 1.00 49.38 N ATOM 0 H GLN A 38 -2.088 7.226 3.727 1.00 49.53 H new ATOM 0 HA GLN A 38 -3.104 8.907 5.910 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -0.597 7.193 5.686 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -1.149 8.014 7.133 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -2.600 5.765 5.698 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -1.693 5.619 7.190 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -4.696 5.479 6.187 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -5.558 6.310 7.486 1.00 49.38 H new ATOM 578 N ASN A 39 -1.159 9.992 3.752 1.00 49.53 N ATOM 579 CA ASN A 39 -0.327 11.106 3.310 1.00 50.07 C ATOM 580 C ASN A 39 -0.908 12.439 3.763 1.00 50.51 C ATOM 581 O ASN A 39 -2.120 12.644 3.722 1.00 49.49 O ATOM 582 CB ASN A 39 -0.139 11.099 1.805 1.00 49.82 C ATOM 583 CG ASN A 39 0.773 10.009 1.313 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.693 9.578 2.018 1.00 49.45 O ATOM 585 ND2 ASN A 39 0.574 9.620 0.080 1.00 49.38 N ATOM 0 H ASN A 39 -1.588 9.461 2.994 1.00 49.53 H new ATOM 0 HA ASN A 39 0.652 10.979 3.773 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -1.112 10.989 1.327 1.00 49.82 H new ATOM 0 HB3 ASN A 39 0.262 12.064 1.494 1.00 49.82 H new ATOM 0 HD21 ASN A 39 1.194 8.929 -0.343 1.00 49.38 H new ATOM 0 HD22 ASN A 39 -0.201 10.008 -0.458 1.00 49.38 H new ATOM 592 N ASP A 40 -0.035 13.344 4.194 1.00 49.53 N ATOM 593 CA ASP A 40 -0.461 14.649 4.685 1.00 50.07 C ATOM 594 C ASP A 40 -1.110 15.470 3.577 1.00 50.51 C ATOM 595 O ASP A 40 -0.746 15.346 2.406 1.00 49.49 O ATOM 596 CB ASP A 40 0.722 15.412 5.281 1.00 49.72 C ATOM 597 CG ASP A 40 1.204 14.877 6.623 1.00 50.62 C ATOM 598 OD1 ASP A 40 0.527 14.051 7.189 1.00 49.24 O ATOM 599 OD2 ASP A 40 2.314 15.176 6.996 1.00 49.24 O ATOM 0 H ASP A 40 0.974 13.197 4.213 1.00 49.53 H new ATOM 0 HA ASP A 40 -1.203 14.484 5.466 1.00 50.07 H new ATOM 0 HB2 ASP A 40 1.551 15.383 4.573 1.00 49.72 H new ATOM 0 HB3 ASP A 40 0.441 16.458 5.401 1.00 49.72 H new ATOM 604 N GLY A 41 -2.068 16.308 3.953 1.00 49.53 N ATOM 605 CA GLY A 41 -2.770 17.150 2.990 1.00 49.98 C ATOM 606 C GLY A 41 -3.851 16.366 2.257 1.00 50.51 C ATOM 607 O GLY A 41 -4.329 15.343 2.747 1.00 49.49 O ATOM 0 H GLY A 41 -2.377 16.423 4.918 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -3.219 17.999 3.505 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -2.059 17.554 2.270 1.00 49.98 H new ATOM 611 N TYR A 42 -4.232 16.851 1.080 1.00 49.53 N ATOM 612 CA TYR A 42 -5.243 16.185 0.269 1.00 50.07 C ATOM 613 C TYR A 42 -4.869 14.733 0.005 1.00 50.51 C ATOM 614 O TYR A 42 -3.831 14.449 -0.592 1.00 49.49 O ATOM 615 CB TYR A 42 -5.440 16.927 -1.056 1.00 49.82 C ATOM 616 CG TYR A 42 -6.455 16.282 -1.974 1.00 50.00 C ATOM 617 CD1 TYR A 42 -7.812 16.343 -1.693 1.00 49.88 C ATOM 618 CD2 TYR A 42 -6.052 15.616 -3.123 1.00 49.88 C ATOM 619 CE1 TYR A 42 -8.743 15.757 -2.529 1.00 49.88 C ATOM 620 CE2 TYR A 42 -6.974 15.025 -3.965 1.00 49.88 C ATOM 621 CZ TYR A 42 -8.319 15.097 -3.665 1.00 50.11 C ATOM 622 OH TYR A 42 -9.241 14.512 -4.502 1.00 49.46 O ATOM 0 H TYR A 42 -3.855 17.704 0.667 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.180 16.199 0.826 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -5.753 17.950 -0.846 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -4.483 16.987 -1.574 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -8.147 16.858 -0.805 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -5.000 15.559 -3.363 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -9.796 15.815 -2.295 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -6.644 14.509 -4.854 1.00 49.88 H new ATOM 0 HH TYR A 42 -8.901 14.521 -5.421 1.00 49.46 H new ATOM 632 N LYS A 43 -5.722 13.817 0.450 1.00 49.53 N ATOM 633 CA LYS A 43 -5.483 12.391 0.260 1.00 50.07 C ATOM 634 C LYS A 43 -5.397 12.039 -1.219 1.00 50.51 C ATOM 635 O LYS A 43 -6.397 12.078 -1.936 1.00 49.49 O ATOM 636 CB LYS A 43 -6.583 11.569 0.933 1.00 49.82 C ATOM 637 CG LYS A 43 -6.558 11.611 2.455 1.00 49.82 C ATOM 638 CD LYS A 43 -7.575 10.652 3.053 1.00 49.82 C ATOM 639 CE LYS A 43 -7.634 10.777 4.568 1.00 50.21 C ATOM 640 NZ LYS A 43 -8.628 9.845 5.165 1.00 49.70 N ATOM 0 H LYS A 43 -6.586 14.037 0.945 1.00 49.53 H new ATOM 0 HA LYS A 43 -4.527 12.149 0.724 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -7.552 11.930 0.588 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -6.495 10.532 0.609 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -5.560 11.354 2.811 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -6.767 12.625 2.796 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -8.560 10.854 2.631 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -7.316 9.629 2.781 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -6.649 10.574 4.987 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -7.890 11.802 4.838 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -8.625 9.950 6.200 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -9.575 10.066 4.798 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -8.380 8.866 4.916 1.00 49.70 H new ATOM 654 N SER A 44 -4.196 11.695 -1.673 1.00 49.53 N ATOM 655 CA SER A 44 -3.982 11.307 -3.062 1.00 50.07 C ATOM 656 C SER A 44 -2.728 10.457 -3.210 1.00 50.51 C ATOM 657 O SER A 44 -1.823 10.518 -2.376 1.00 49.49 O ATOM 658 CB SER A 44 -3.892 12.539 -3.940 1.00 50.05 C ATOM 659 OG SER A 44 -2.749 13.300 -3.663 1.00 49.34 O ATOM 0 H SER A 44 -3.354 11.677 -1.097 1.00 49.53 H new ATOM 0 HA SER A 44 -4.833 10.705 -3.381 1.00 50.07 H new ATOM 0 HB2 SER A 44 -3.881 12.237 -4.987 1.00 50.05 H new ATOM 0 HB3 SER A 44 -4.780 13.153 -3.794 1.00 50.05 H new ATOM 0 HG SER A 44 -2.727 14.084 -4.251 1.00 49.34 H new ATOM 665 N LEU A 45 -2.678 9.665 -4.275 1.00 49.53 N ATOM 666 CA LEU A 45 -1.545 8.780 -4.520 1.00 50.07 C ATOM 667 C LEU A 45 -0.818 9.159 -5.803 1.00 50.51 C ATOM 668 O LEU A 45 -1.443 9.552 -6.789 1.00 49.49 O ATOM 669 CB LEU A 45 -2.015 7.321 -4.585 1.00 49.82 C ATOM 670 CG LEU A 45 -2.687 6.795 -3.309 1.00 49.91 C ATOM 671 CD1 LEU A 45 -3.266 5.409 -3.559 1.00 49.73 C ATOM 672 CD2 LEU A 45 -1.673 6.761 -2.176 1.00 49.73 C ATOM 0 H LEU A 45 -3.410 9.618 -4.984 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.845 8.890 -3.692 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.715 7.218 -5.414 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -1.156 6.689 -4.812 1.00 49.82 H new ATOM 0 HG LEU A 45 -3.503 7.460 -3.027 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -3.741 5.043 -2.649 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -4.006 5.462 -4.358 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -2.466 4.728 -3.850 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -2.151 6.387 -1.271 1.00 49.73 H new ATOM 0 HD22 LEU A 45 -0.846 6.104 -2.447 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -1.293 7.767 -1.997 1.00 49.73 H new ATOM 684 N ASP A 46 0.505 9.041 -5.785 1.00 49.53 N ATOM 685 CA ASP A 46 1.318 9.340 -6.957 1.00 50.07 C ATOM 686 C ASP A 46 1.824 8.066 -7.618 1.00 50.51 C ATOM 687 O ASP A 46 2.693 7.379 -7.080 1.00 49.49 O ATOM 688 CB ASP A 46 2.497 10.239 -6.577 1.00 49.72 C ATOM 689 CG ASP A 46 3.382 10.646 -7.748 1.00 50.62 C ATOM 690 OD1 ASP A 46 3.131 10.195 -8.841 1.00 49.24 O ATOM 691 OD2 ASP A 46 4.197 11.520 -7.575 1.00 49.24 O ATOM 0 H ASP A 46 1.038 8.740 -4.969 1.00 49.53 H new ATOM 0 HA ASP A 46 0.687 9.867 -7.673 1.00 50.07 H new ATOM 0 HB2 ASP A 46 2.112 11.139 -6.098 1.00 49.72 H new ATOM 0 HB3 ASP A 46 3.109 9.722 -5.838 1.00 49.72 H new ATOM 696 N GLU A 47 1.277 7.754 -8.788 1.00 49.53 N ATOM 697 CA GLU A 47 1.665 6.554 -9.521 1.00 50.07 C ATOM 698 C GLU A 47 3.176 6.495 -9.717 1.00 50.51 C ATOM 699 O GLU A 47 3.785 7.446 -10.206 1.00 49.49 O ATOM 700 CB GLU A 47 0.956 6.501 -10.876 1.00 49.82 C ATOM 701 CG GLU A 47 -0.538 6.223 -10.793 1.00 49.72 C ATOM 702 CD GLU A 47 -1.316 7.489 -10.563 1.00 50.62 C ATOM 703 OE1 GLU A 47 -0.707 8.519 -10.407 1.00 49.24 O ATOM 704 OE2 GLU A 47 -2.521 7.445 -10.654 1.00 49.24 O ATOM 0 H GLU A 47 0.562 8.316 -9.250 1.00 49.53 H new ATOM 0 HA GLU A 47 1.363 5.689 -8.930 1.00 50.07 H new ATOM 0 HB2 GLU A 47 1.109 7.450 -11.390 1.00 49.82 H new ATOM 0 HB3 GLU A 47 1.424 5.729 -11.487 1.00 49.82 H new ATOM 0 HG2 GLU A 47 -0.874 5.749 -11.715 1.00 49.72 H new ATOM 0 HG3 GLU A 47 -0.735 5.520 -9.984 1.00 49.72 H new ATOM 711 N GLY A 48 3.772 5.371 -9.333 1.00 49.53 N ATOM 712 CA GLY A 48 5.214 5.191 -9.453 1.00 49.98 C ATOM 713 C GLY A 48 5.910 5.409 -8.116 1.00 50.51 C ATOM 714 O GLY A 48 7.028 4.943 -7.904 1.00 49.49 O ATOM 0 H GLY A 48 3.279 4.571 -8.936 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.429 4.187 -9.818 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.610 5.889 -10.190 1.00 49.98 H new ATOM 718 N GLN A 49 5.240 6.122 -7.216 1.00 49.53 N ATOM 719 CA GLN A 49 5.806 6.429 -5.907 1.00 50.07 C ATOM 720 C GLN A 49 5.799 5.205 -5.003 1.00 50.51 C ATOM 721 O GLN A 49 4.786 4.514 -4.885 1.00 49.49 O ATOM 722 CB GLN A 49 5.029 7.568 -5.243 1.00 49.82 C ATOM 723 CG GLN A 49 5.604 8.020 -3.911 1.00 49.82 C ATOM 724 CD GLN A 49 6.952 8.698 -4.063 1.00 50.55 C ATOM 725 OE1 GLN A 49 7.144 9.538 -4.945 1.00 49.45 O ATOM 726 NE2 GLN A 49 7.897 8.331 -3.204 1.00 49.38 N ATOM 0 H GLN A 49 4.304 6.498 -7.369 1.00 49.53 H new ATOM 0 HA GLN A 49 6.840 6.740 -6.057 1.00 50.07 H new ATOM 0 HB2 GLN A 49 5.003 8.420 -5.923 1.00 49.82 H new ATOM 0 HB3 GLN A 49 3.998 7.249 -5.092 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.907 8.707 -3.432 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.706 7.158 -3.251 1.00 49.82 H new ATOM 0 HE21 GLN A 49 7.693 7.632 -2.490 1.00 49.38 H new ATOM 0 HE22 GLN A 49 8.826 8.749 -3.259 1.00 49.38 H new ATOM 735 N LYS A 50 6.934 4.941 -4.364 1.00 49.53 N ATOM 736 CA LYS A 50 7.033 3.855 -3.397 1.00 50.07 C ATOM 737 C LYS A 50 6.291 4.193 -2.110 1.00 50.51 C ATOM 738 O LYS A 50 6.455 5.277 -1.553 1.00 49.49 O ATOM 739 CB LYS A 50 8.499 3.543 -3.090 1.00 49.82 C ATOM 740 CG LYS A 50 9.262 2.908 -4.246 1.00 49.82 C ATOM 741 CD LYS A 50 10.711 2.637 -3.870 1.00 49.82 C ATOM 742 CE LYS A 50 11.476 2.009 -5.026 1.00 50.21 C ATOM 743 NZ LYS A 50 12.894 1.737 -4.671 1.00 49.70 N ATOM 0 H LYS A 50 7.799 5.465 -4.499 1.00 49.53 H new ATOM 0 HA LYS A 50 6.567 2.974 -3.838 1.00 50.07 H new ATOM 0 HB2 LYS A 50 9.002 4.466 -2.802 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.543 2.874 -2.230 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.778 1.975 -4.535 1.00 49.82 H new ATOM 0 HG3 LYS A 50 9.226 3.567 -5.114 1.00 49.82 H new ATOM 0 HD2 LYS A 50 11.193 3.570 -3.577 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.746 1.974 -3.005 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.990 1.078 -5.319 1.00 50.21 H new ATOM 0 HE3 LYS A 50 11.439 2.674 -5.889 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 13.380 1.310 -5.485 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 13.365 2.628 -4.416 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.930 1.083 -3.864 1.00 49.70 H new ATOM 757 N VAL A 51 5.471 3.256 -1.643 1.00 49.53 N ATOM 758 CA VAL A 51 4.680 3.463 -0.436 1.00 50.07 C ATOM 759 C VAL A 51 4.736 2.244 0.475 1.00 50.51 C ATOM 760 O VAL A 51 5.144 1.161 0.055 1.00 49.49 O ATOM 761 CB VAL A 51 3.208 3.775 -0.770 1.00 49.91 C ATOM 762 CG1 VAL A 51 3.102 5.085 -1.536 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.593 2.639 -1.574 1.00 49.73 C ATOM 0 H VAL A 51 5.337 2.346 -2.083 1.00 49.53 H new ATOM 0 HA VAL A 51 5.115 4.319 0.080 1.00 50.07 H new ATOM 0 HB VAL A 51 2.656 3.876 0.165 1.00 49.91 H new ATOM 0 HG11 VAL A 51 2.056 5.290 -1.764 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.507 5.895 -0.929 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.667 5.010 -2.465 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.554 2.875 -1.801 1.00 49.73 H new ATOM 0 HG22 VAL A 51 3.147 2.509 -2.503 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.637 1.717 -0.994 1.00 49.73 H new ATOM 773 N SER A 52 4.325 2.426 1.726 1.00 49.53 N ATOM 774 CA SER A 52 4.137 1.307 2.641 1.00 50.07 C ATOM 775 C SER A 52 2.679 1.183 3.067 1.00 50.51 C ATOM 776 O SER A 52 2.020 2.181 3.356 1.00 49.49 O ATOM 777 CB SER A 52 5.031 1.471 3.855 1.00 50.05 C ATOM 778 OG SER A 52 4.802 0.475 4.815 1.00 49.34 O ATOM 0 H SER A 52 4.116 3.339 2.129 1.00 49.53 H new ATOM 0 HA SER A 52 4.412 0.390 2.119 1.00 50.07 H new ATOM 0 HB2 SER A 52 6.075 1.441 3.543 1.00 50.05 H new ATOM 0 HB3 SER A 52 4.860 2.451 4.301 1.00 50.05 H new ATOM 0 HG SER A 52 5.398 0.615 5.580 1.00 49.34 H new ATOM 784 N PHE A 53 2.183 -0.048 3.107 1.00 49.53 N ATOM 785 CA PHE A 53 0.760 -0.294 3.305 1.00 50.07 C ATOM 786 C PHE A 53 0.522 -1.631 3.997 1.00 50.51 C ATOM 787 O PHE A 53 1.464 -2.378 4.263 1.00 49.49 O ATOM 788 CB PHE A 53 0.020 -0.257 1.966 1.00 49.82 C ATOM 789 CG PHE A 53 0.444 -1.335 1.010 1.00 50.00 C ATOM 790 CD1 PHE A 53 1.626 -1.224 0.297 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.342 -2.463 0.822 1.00 49.88 C ATOM 792 CE1 PHE A 53 2.016 -2.214 -0.586 1.00 49.88 C ATOM 793 CE2 PHE A 53 0.046 -3.455 -0.057 1.00 49.88 C ATOM 794 CZ PHE A 53 1.225 -3.331 -0.762 1.00 49.88 C ATOM 0 H PHE A 53 2.746 -0.892 3.005 1.00 49.53 H new ATOM 0 HA PHE A 53 0.371 0.496 3.948 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.050 -0.348 2.150 1.00 49.82 H new ATOM 0 HB3 PHE A 53 0.182 0.714 1.499 1.00 49.82 H new ATOM 0 HD1 PHE A 53 2.251 -0.354 0.432 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -1.267 -2.566 1.369 1.00 49.88 H new ATOM 0 HE1 PHE A 53 2.939 -2.113 -1.138 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -0.574 -4.329 -0.192 1.00 49.88 H new ATOM 0 HZ PHE A 53 1.528 -4.106 -1.450 1.00 49.88 H new ATOM 804 N THR A 54 -0.740 -1.926 4.287 1.00 49.53 N ATOM 805 CA THR A 54 -1.111 -3.202 4.884 1.00 50.07 C ATOM 806 C THR A 54 -2.334 -3.796 4.198 1.00 50.51 C ATOM 807 O THR A 54 -3.249 -3.073 3.803 1.00 49.49 O ATOM 808 CB THR A 54 -1.398 -3.060 6.390 1.00 50.14 C ATOM 809 OG1 THR A 54 -1.598 -4.358 6.966 1.00 49.34 O ATOM 810 CG2 THR A 54 -2.640 -2.213 6.619 1.00 49.73 C ATOM 0 H THR A 54 -1.525 -1.297 4.118 1.00 49.53 H new ATOM 0 HA THR A 54 -0.261 -3.871 4.748 1.00 50.07 H new ATOM 0 HB THR A 54 -0.545 -2.572 6.862 1.00 50.14 H new ATOM 0 HG1 THR A 54 -1.779 -4.266 7.925 1.00 49.34 H new ATOM 0 HG21 THR A 54 -2.827 -2.124 7.689 1.00 49.73 H new ATOM 0 HG22 THR A 54 -2.488 -1.221 6.193 1.00 49.73 H new ATOM 0 HG23 THR A 54 -3.497 -2.686 6.139 1.00 49.73 H new ATOM 818 N ILE A 55 -2.346 -5.118 4.060 1.00 49.53 N ATOM 819 CA ILE A 55 -3.478 -5.817 3.462 1.00 50.07 C ATOM 820 C ILE A 55 -4.275 -6.575 4.514 1.00 50.51 C ATOM 821 O ILE A 55 -3.725 -7.394 5.253 1.00 49.49 O ATOM 822 CB ILE A 55 -3.022 -6.798 2.369 1.00 49.91 C ATOM 823 CG1 ILE A 55 -2.299 -6.050 1.246 1.00 49.82 C ATOM 824 CG2 ILE A 55 -4.211 -7.570 1.817 1.00 49.73 C ATOM 825 CD1 ILE A 55 -1.585 -6.956 0.268 1.00 49.73 C ATOM 0 H ILE A 55 -1.583 -5.728 4.355 1.00 49.53 H new ATOM 0 HA ILE A 55 -4.114 -5.056 3.010 1.00 50.07 H new ATOM 0 HB ILE A 55 -2.326 -7.510 2.812 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -3.023 -5.443 0.702 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -1.575 -5.365 1.687 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -3.870 -8.260 1.045 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -4.685 -8.132 2.622 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -4.931 -6.872 1.389 1.00 49.73 H new ATOM 0 HD11 ILE A 55 -1.097 -6.353 -0.498 1.00 49.73 H new ATOM 0 HD12 ILE A 55 -0.836 -7.545 0.798 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -2.306 -7.624 -0.202 1.00 49.73 H new ATOM 923 N ALA A 63 -8.075 -6.303 1.140 1.00 49.53 N ATOM 924 CA ALA A 63 -7.988 -4.934 0.647 1.00 50.07 C ATOM 925 C ALA A 63 -6.816 -4.194 1.278 1.00 50.51 C ATOM 926 O ALA A 63 -6.472 -4.431 2.436 1.00 49.49 O ATOM 927 CB ALA A 63 -9.291 -4.192 0.910 1.00 49.73 C ATOM 0 HA ALA A 63 -7.818 -4.974 -0.429 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -9.210 -3.171 0.536 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -10.109 -4.701 0.401 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -9.488 -4.171 1.982 1.00 49.73 H new ATOM 933 N ALA A 64 -6.205 -3.296 0.511 1.00 49.53 N ATOM 934 CA ALA A 64 -5.060 -2.533 0.988 1.00 50.07 C ATOM 935 C ALA A 64 -5.504 -1.280 1.731 1.00 50.51 C ATOM 936 O ALA A 64 -6.535 -0.688 1.409 1.00 49.49 O ATOM 937 CB ALA A 64 -4.145 -2.168 -0.173 1.00 49.73 C ATOM 0 H ALA A 64 -6.486 -3.080 -0.445 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.506 -3.159 1.688 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -3.294 -1.598 0.200 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.789 -3.078 -0.656 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.696 -1.566 -0.895 1.00 49.73 H new ATOM 943 N GLY A 65 -4.722 -0.880 2.728 1.00 49.53 N ATOM 944 CA GLY A 65 -4.980 0.357 3.455 1.00 49.98 C ATOM 945 C GLY A 65 -3.730 0.839 4.182 1.00 50.51 C ATOM 946 O GLY A 65 -2.646 0.281 4.011 1.00 49.49 O ATOM 0 H GLY A 65 -3.903 -1.395 3.051 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.320 1.126 2.761 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.784 0.199 4.174 1.00 49.98 H new ATOM 950 N ASN A 66 -3.888 1.879 4.994 1.00 49.53 N ATOM 951 CA ASN A 66 -2.768 2.458 5.725 1.00 50.07 C ATOM 952 C ASN A 66 -1.621 2.809 4.786 1.00 50.51 C ATOM 953 O ASN A 66 -0.462 2.499 5.063 1.00 49.49 O ATOM 954 CB ASN A 66 -2.282 1.529 6.823 1.00 49.82 C ATOM 955 CG ASN A 66 -1.412 2.206 7.847 1.00 50.55 C ATOM 956 OD1 ASN A 66 -1.538 3.408 8.101 1.00 49.45 O ATOM 957 ND2 ASN A 66 -0.477 1.457 8.374 1.00 49.38 N ATOM 0 H ASN A 66 -4.783 2.339 5.162 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.127 3.376 6.190 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -3.145 1.091 7.325 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.725 0.708 6.372 1.00 49.82 H new ATOM 0 HD21 ASN A 66 0.192 1.862 9.029 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -0.417 0.468 8.130 1.00 49.38 H new ATOM 964 N VAL A 67 -1.950 3.458 3.675 1.00 49.53 N ATOM 965 CA VAL A 67 -0.967 3.749 2.638 1.00 50.07 C ATOM 966 C VAL A 67 -0.255 5.068 2.908 1.00 50.51 C ATOM 967 O VAL A 67 -0.881 6.128 2.936 1.00 49.49 O ATOM 968 CB VAL A 67 -1.618 3.805 1.243 1.00 49.91 C ATOM 969 CG1 VAL A 67 -0.579 4.143 0.184 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.296 2.483 0.918 1.00 49.73 C ATOM 0 H VAL A 67 -2.891 3.793 3.469 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.240 2.937 2.658 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.375 4.589 1.248 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.056 4.178 -0.795 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.135 5.113 0.407 1.00 49.73 H new ATOM 0 HG13 VAL A 67 0.199 3.380 0.181 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -2.751 2.541 -0.071 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.557 1.682 0.932 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.067 2.278 1.660 1.00 49.73 H new ATOM 980 N THR A 68 1.057 4.996 3.107 1.00 49.53 N ATOM 981 CA THR A 68 1.858 6.186 3.371 1.00 50.07 C ATOM 982 C THR A 68 3.143 6.176 2.554 1.00 50.51 C ATOM 983 O THR A 68 3.724 5.120 2.305 1.00 49.49 O ATOM 984 CB THR A 68 2.212 6.308 4.866 1.00 50.14 C ATOM 985 OG1 THR A 68 2.913 7.536 5.094 1.00 49.34 O ATOM 986 CG2 THR A 68 3.085 5.142 5.304 1.00 49.73 C ATOM 0 H THR A 68 1.588 4.126 3.090 1.00 49.53 H new ATOM 0 HA THR A 68 1.253 7.044 3.079 1.00 50.07 H new ATOM 0 HB THR A 68 1.289 6.295 5.445 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.136 7.614 6.045 1.00 49.34 H new ATOM 0 HG21 THR A 68 3.325 5.245 6.362 1.00 49.73 H new ATOM 0 HG22 THR A 68 2.550 4.206 5.142 1.00 49.73 H new ATOM 0 HG23 THR A 68 4.006 5.138 4.722 1.00 49.73 H new ATOM 994 N SER A 69 3.583 7.361 2.140 1.00 49.53 N ATOM 995 CA SER A 69 4.806 7.491 1.358 1.00 50.07 C ATOM 996 C SER A 69 5.972 6.784 2.036 1.00 50.51 C ATOM 997 O SER A 69 6.149 6.883 3.249 1.00 49.49 O ATOM 998 CB SER A 69 5.130 8.957 1.140 1.00 50.05 C ATOM 999 OG SER A 69 4.119 9.621 0.434 1.00 49.34 O ATOM 0 H SER A 69 3.110 8.244 2.334 1.00 49.53 H new ATOM 0 HA SER A 69 4.644 7.015 0.391 1.00 50.07 H new ATOM 0 HB2 SER A 69 5.277 9.443 2.105 1.00 50.05 H new ATOM 0 HB3 SER A 69 6.069 9.043 0.594 1.00 50.05 H new ATOM 0 HG SER A 69 3.301 9.639 0.973 1.00 49.34 H new ATOM 1005 N LEU A 70 6.766 6.072 1.244 1.00 49.53 N ATOM 1006 CA LEU A 70 7.911 5.336 1.768 1.00 50.07 C ATOM 1007 C LEU A 70 9.215 6.063 1.472 1.00 50.51 C ATOM 1008 O LEU A 70 10.295 5.596 1.836 1.00 49.49 O ATOM 1009 CB LEU A 70 7.944 3.919 1.183 1.00 49.82 C ATOM 1010 CG LEU A 70 9.134 3.057 1.625 1.00 49.91 C ATOM 1011 CD1 LEU A 70 9.035 2.756 3.114 1.00 49.73 C ATOM 1012 CD2 LEU A 70 9.158 1.770 0.814 1.00 49.73 C ATOM 0 H LEU A 70 6.638 5.989 0.236 1.00 49.53 H new ATOM 0 HA LEU A 70 7.803 5.269 2.851 1.00 50.07 H new ATOM 0 HB2 LEU A 70 7.022 3.407 1.460 1.00 49.82 H new ATOM 0 HB3 LEU A 70 7.953 3.992 0.096 1.00 49.82 H new ATOM 0 HG LEU A 70 10.063 3.600 1.448 1.00 49.91 H new ATOM 0 HD11 LEU A 70 9.884 2.144 3.419 1.00 49.73 H new ATOM 0 HD12 LEU A 70 9.042 3.690 3.675 1.00 49.73 H new ATOM 0 HD13 LEU A 70 8.109 2.218 3.316 1.00 49.73 H new ATOM 0 HD21 LEU A 70 10.003 1.158 1.128 1.00 49.73 H new ATOM 0 HD22 LEU A 70 8.231 1.220 0.977 1.00 49.73 H new ATOM 0 HD23 LEU A 70 9.257 2.009 -0.245 1.00 49.73 H new