USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 758 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 43 LYS NZ :NH3+ -124:sc= 1.19! (180deg=-0.299) USER MOD Set 1.2: A 45 THR OG1 : rot -160:sc= -0.824 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.135 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.36! USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 ASN : amide:sc= -6.09! C(o=-6.1!,f=-7!) USER MOD Single : A 17 LYS NZ :NH3+ -140:sc= -0.249 (180deg=-1.57!) USER MOD Single : A 24 ASN : amide:sc= -7.07! C(o=-7.1!,f=-11!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.47) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -90:sc= -2.52 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 6:sc= -13.5! USER MOD Single : A 42 MET CE :methyl -111:sc= -0.588 (180deg=-2.66!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0983 F(o=-0.61,f=-0.098) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 150:sc= -1.67! USER MOD Single : A 59 GLN : amide:sc= -0.811 K(o=-0.81,f=-1.9!) USER MOD Single : A 61 TYR OH : rot 120:sc= -0.616 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 118:sc= -1.81! USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -3.6! (180deg=-4.62!) USER MOD Single : A 74 SER OG : rot -169:sc= -5.77! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= -0.108 (180deg=-1.24) USER MOD Single : A 79 THR OG1 : rot 120:sc= -2.91! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.35! C(o=-1.4!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.242 8.561 -7.232 1.00 0.00 N ATOM 2 CA GLY A 1 -11.335 8.018 -6.180 1.00 0.00 C ATOM 3 C GLY A 1 -10.384 9.118 -5.706 1.00 0.00 C ATOM 4 O GLY A 1 -10.441 10.242 -6.165 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.226 8.522 -6.896 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.985 9.548 -7.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.149 7.992 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.919 7.642 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.766 7.176 -6.575 1.00 0.00 H new ATOM 10 N GLU A 2 -9.509 8.804 -4.790 1.00 0.00 N ATOM 11 CA GLU A 2 -8.553 9.833 -4.286 1.00 0.00 C ATOM 12 C GLU A 2 -7.129 9.268 -4.274 1.00 0.00 C ATOM 13 O GLU A 2 -6.902 8.127 -4.619 1.00 0.00 O ATOM 14 CB GLU A 2 -9.020 10.144 -2.865 1.00 0.00 C ATOM 15 CG GLU A 2 -10.468 10.640 -2.899 1.00 0.00 C ATOM 16 CD GLU A 2 -10.629 11.813 -1.932 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.911 11.846 -0.945 1.00 0.00 O ATOM 18 OE2 GLU A 2 -11.467 12.660 -2.193 1.00 0.00 O ATOM 0 H GLU A 2 -9.414 7.880 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.535 10.725 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.945 9.252 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.376 10.901 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.734 10.949 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.147 9.833 -2.624 1.00 0.00 H new ATOM 25 N TRP A 3 -6.169 10.060 -3.878 1.00 0.00 N ATOM 26 CA TRP A 3 -4.763 9.564 -3.846 1.00 0.00 C ATOM 27 C TRP A 3 -4.093 9.939 -2.521 1.00 0.00 C ATOM 28 O TRP A 3 -4.615 10.715 -1.745 1.00 0.00 O ATOM 29 CB TRP A 3 -4.068 10.261 -5.016 1.00 0.00 C ATOM 30 CG TRP A 3 -4.339 11.729 -4.956 1.00 0.00 C ATOM 31 CD1 TRP A 3 -3.858 12.570 -4.011 1.00 0.00 C ATOM 32 CD2 TRP A 3 -5.138 12.545 -5.861 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.314 13.849 -4.277 1.00 0.00 N ATOM 34 CE2 TRP A 3 -5.106 13.885 -5.407 1.00 0.00 C ATOM 35 CE3 TRP A 3 -5.881 12.254 -7.019 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -5.787 14.902 -6.079 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -6.568 13.275 -7.698 1.00 0.00 C ATOM 38 CH2 TRP A 3 -6.521 14.596 -7.229 1.00 0.00 C ATOM 0 H TRP A 3 -6.297 11.026 -3.576 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.710 8.478 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.994 10.077 -4.976 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.427 9.853 -5.961 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -3.222 12.289 -3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.092 14.666 -3.708 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.924 11.240 -7.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -5.747 15.917 -5.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.136 13.041 -8.586 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.051 15.376 -7.756 1.00 0.00 H new ATOM 49 N GLU A 4 -2.939 9.388 -2.257 1.00 0.00 N ATOM 50 CA GLU A 4 -2.229 9.703 -0.983 1.00 0.00 C ATOM 51 C GLU A 4 -0.793 9.171 -1.047 1.00 0.00 C ATOM 52 O GLU A 4 -0.567 7.984 -1.153 1.00 0.00 O ATOM 53 CB GLU A 4 -3.041 8.981 0.097 1.00 0.00 C ATOM 54 CG GLU A 4 -2.161 8.686 1.315 1.00 0.00 C ATOM 55 CD GLU A 4 -1.746 10.002 1.977 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.618 10.815 2.233 1.00 0.00 O ATOM 57 OE2 GLU A 4 -0.562 10.172 2.217 1.00 0.00 O ATOM 0 H GLU A 4 -2.456 8.732 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.157 10.772 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.891 9.595 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.444 8.051 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.704 8.064 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.277 8.125 1.011 1.00 0.00 H new ATOM 64 N ILE A 5 0.179 10.038 -1.006 1.00 0.00 N ATOM 65 CA ILE A 5 1.583 9.582 -1.088 1.00 0.00 C ATOM 66 C ILE A 5 2.313 9.764 0.250 1.00 0.00 C ATOM 67 O ILE A 5 2.100 10.722 0.966 1.00 0.00 O ATOM 68 CB ILE A 5 2.188 10.487 -2.148 1.00 0.00 C ATOM 69 CG1 ILE A 5 2.313 11.908 -1.594 1.00 0.00 C ATOM 70 CG2 ILE A 5 1.293 10.497 -3.388 1.00 0.00 C ATOM 71 CD1 ILE A 5 2.965 12.810 -2.644 1.00 0.00 C ATOM 0 H ILE A 5 0.055 11.047 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 5 1.662 8.521 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 5 3.176 10.115 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.329 12.294 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.910 11.903 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.729 11.147 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.207 9.485 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.303 10.867 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.054 13.822 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.956 12.427 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.350 12.824 -3.544 1.00 0.00 H new ATOM 83 N ILE A 6 3.188 8.849 0.572 1.00 0.00 N ATOM 84 CA ILE A 6 3.969 8.944 1.842 1.00 0.00 C ATOM 85 C ILE A 6 5.413 8.518 1.559 1.00 0.00 C ATOM 86 O ILE A 6 5.762 8.246 0.429 1.00 0.00 O ATOM 87 CB ILE A 6 3.299 7.970 2.817 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.867 6.695 2.072 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.080 8.639 3.455 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.531 6.923 1.356 1.00 0.00 C ATOM 0 H ILE A 6 3.398 8.029 0.003 1.00 0.00 H new ATOM 0 HA ILE A 6 3.987 9.953 2.254 1.00 0.00 H new ATOM 0 HB ILE A 6 4.010 7.699 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.631 6.412 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.773 5.868 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.605 7.945 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.396 9.532 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.369 8.918 2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.238 6.012 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.766 7.183 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.637 7.736 0.637 1.00 0.00 H new ATOM 102 N ASP A 7 6.259 8.439 2.557 1.00 0.00 N ATOM 103 CA ASP A 7 7.664 8.009 2.275 1.00 0.00 C ATOM 104 C ASP A 7 8.561 8.138 3.500 1.00 0.00 C ATOM 105 O ASP A 7 9.739 8.411 3.381 1.00 0.00 O ATOM 106 CB ASP A 7 8.162 8.927 1.153 1.00 0.00 C ATOM 107 CG ASP A 7 7.657 10.353 1.385 1.00 0.00 C ATOM 108 OD1 ASP A 7 8.068 10.956 2.363 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.869 10.819 0.579 1.00 0.00 O ATOM 0 H ASP A 7 6.045 8.648 3.532 1.00 0.00 H new ATOM 0 HA ASP A 7 7.692 6.957 1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.251 8.918 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.812 8.560 0.188 1.00 0.00 H new ATOM 114 N ILE A 8 8.031 7.914 4.664 1.00 0.00 N ATOM 115 CA ILE A 8 8.885 8.005 5.891 1.00 0.00 C ATOM 116 C ILE A 8 8.087 7.761 7.183 1.00 0.00 C ATOM 117 O ILE A 8 8.526 8.127 8.255 1.00 0.00 O ATOM 118 CB ILE A 8 9.446 9.433 5.890 1.00 0.00 C ATOM 119 CG1 ILE A 8 10.717 9.464 6.738 1.00 0.00 C ATOM 120 CG2 ILE A 8 8.413 10.403 6.472 1.00 0.00 C ATOM 121 CD1 ILE A 8 11.714 8.435 6.196 1.00 0.00 C ATOM 0 H ILE A 8 7.053 7.673 4.827 1.00 0.00 H new ATOM 0 HA ILE A 8 9.662 7.241 5.869 1.00 0.00 H new ATOM 0 HB ILE A 8 9.674 9.736 4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.158 10.461 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.479 9.243 7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.820 11.414 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.506 10.374 5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.177 10.112 7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.622 8.455 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.271 7.440 6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.960 8.676 5.162 1.00 0.00 H new ATOM 133 N GLY A 9 6.930 7.166 7.113 1.00 0.00 N ATOM 134 CA GLY A 9 6.163 6.948 8.375 1.00 0.00 C ATOM 135 C GLY A 9 5.135 5.819 8.232 1.00 0.00 C ATOM 136 O GLY A 9 5.215 4.822 8.921 1.00 0.00 O ATOM 0 H GLY A 9 6.488 6.827 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.854 6.709 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.653 7.870 8.654 1.00 0.00 H new ATOM 140 N PRO A 10 4.176 6.030 7.373 1.00 0.00 N ATOM 141 CA PRO A 10 3.095 5.032 7.184 1.00 0.00 C ATOM 142 C PRO A 10 3.569 3.808 6.395 1.00 0.00 C ATOM 143 O PRO A 10 3.959 2.806 6.960 1.00 0.00 O ATOM 144 CB PRO A 10 2.031 5.801 6.407 1.00 0.00 C ATOM 145 CG PRO A 10 2.771 6.891 5.699 1.00 0.00 C ATOM 146 CD PRO A 10 4.008 7.198 6.504 1.00 0.00 C ATOM 0 HA PRO A 10 2.735 4.633 8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.515 5.152 5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.274 6.210 7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.039 6.579 4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.146 7.779 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.876 7.342 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.887 8.112 7.086 1.00 0.00 H new ATOM 154 N PHE A 11 3.509 3.869 5.094 1.00 0.00 N ATOM 155 CA PHE A 11 3.925 2.695 4.270 1.00 0.00 C ATOM 156 C PHE A 11 5.251 2.113 4.769 1.00 0.00 C ATOM 157 O PHE A 11 5.551 0.957 4.542 1.00 0.00 O ATOM 158 CB PHE A 11 4.048 3.233 2.847 1.00 0.00 C ATOM 159 CG PHE A 11 2.695 3.145 2.181 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.556 3.597 2.859 1.00 0.00 C ATOM 161 CD2 PHE A 11 2.574 2.605 0.894 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.300 3.512 2.252 1.00 0.00 C ATOM 163 CE2 PHE A 11 1.315 2.520 0.289 1.00 0.00 C ATOM 164 CZ PHE A 11 0.180 2.973 0.969 1.00 0.00 C ATOM 0 H PHE A 11 3.190 4.680 4.564 1.00 0.00 H new ATOM 0 HA PHE A 11 3.206 1.878 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.396 4.266 2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.784 2.656 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.648 4.012 3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.451 2.255 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.577 3.863 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.220 2.104 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.791 2.906 0.501 1.00 0.00 H new ATOM 174 N THR A 12 6.039 2.887 5.461 1.00 0.00 N ATOM 175 CA THR A 12 7.321 2.363 5.982 1.00 0.00 C ATOM 176 C THR A 12 7.035 1.288 7.031 1.00 0.00 C ATOM 177 O THR A 12 7.420 0.139 6.894 1.00 0.00 O ATOM 178 CB THR A 12 7.984 3.577 6.629 1.00 0.00 C ATOM 179 OG1 THR A 12 7.286 3.916 7.820 1.00 0.00 O ATOM 180 CG2 THR A 12 7.954 4.761 5.662 1.00 0.00 C ATOM 0 H THR A 12 5.845 3.863 5.686 1.00 0.00 H new ATOM 0 HA THR A 12 7.949 1.911 5.214 1.00 0.00 H new ATOM 0 HB THR A 12 9.020 3.338 6.868 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.711 4.694 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.428 5.624 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.492 4.500 4.751 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.920 5.004 5.416 1.00 0.00 H new ATOM 188 N GLN A 13 6.347 1.659 8.073 1.00 0.00 N ATOM 189 CA GLN A 13 6.015 0.675 9.142 1.00 0.00 C ATOM 190 C GLN A 13 4.953 -0.300 8.640 1.00 0.00 C ATOM 191 O GLN A 13 4.787 -1.384 9.165 1.00 0.00 O ATOM 192 CB GLN A 13 5.479 1.507 10.306 1.00 0.00 C ATOM 193 CG GLN A 13 5.729 0.766 11.621 1.00 0.00 C ATOM 194 CD GLN A 13 5.200 1.601 12.787 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.484 2.562 12.587 1.00 0.00 O ATOM 196 NE2 GLN A 13 5.524 1.273 14.008 1.00 0.00 N ATOM 0 H GLN A 13 5.999 2.604 8.232 1.00 0.00 H new ATOM 0 HA GLN A 13 6.879 0.081 9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.968 2.481 10.326 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.412 1.689 10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.235 -0.206 11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.795 0.579 11.748 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.125 0.466 14.177 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.176 1.823 14.793 1.00 0.00 H new ATOM 205 N ASN A 14 4.245 0.076 7.620 1.00 0.00 N ATOM 206 CA ASN A 14 3.199 -0.827 7.065 1.00 0.00 C ATOM 207 C ASN A 14 3.859 -1.884 6.192 1.00 0.00 C ATOM 208 O ASN A 14 3.646 -3.069 6.351 1.00 0.00 O ATOM 209 CB ASN A 14 2.286 0.076 6.233 1.00 0.00 C ATOM 210 CG ASN A 14 1.812 1.251 7.090 1.00 0.00 C ATOM 211 OD1 ASN A 14 1.498 2.305 6.575 1.00 0.00 O ATOM 212 ND2 ASN A 14 1.745 1.112 8.386 1.00 0.00 N ATOM 0 H ASN A 14 4.343 0.972 7.142 1.00 0.00 H new ATOM 0 HA ASN A 14 2.638 -1.349 7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.821 0.443 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.429 -0.491 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.429 1.889 8.967 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.009 0.227 8.818 1.00 0.00 H new ATOM 219 N LEU A 15 4.671 -1.453 5.282 1.00 0.00 N ATOM 220 CA LEU A 15 5.379 -2.412 4.392 1.00 0.00 C ATOM 221 C LEU A 15 5.935 -3.567 5.225 1.00 0.00 C ATOM 222 O LEU A 15 5.655 -4.720 4.973 1.00 0.00 O ATOM 223 CB LEU A 15 6.518 -1.604 3.771 1.00 0.00 C ATOM 224 CG LEU A 15 7.555 -2.554 3.170 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.334 -1.829 2.072 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.523 -3.009 4.265 1.00 0.00 C ATOM 0 H LEU A 15 4.880 -0.470 5.111 1.00 0.00 H new ATOM 0 HA LEU A 15 4.726 -2.843 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.128 -0.941 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.984 -0.973 4.528 1.00 0.00 H new ATOM 0 HG LEU A 15 7.051 -3.422 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.073 -2.505 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.646 -1.503 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.839 -0.961 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.263 -3.686 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.028 -2.141 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.969 -3.525 5.049 1.00 0.00 H new ATOM 238 N GLY A 16 6.721 -3.262 6.221 1.00 0.00 N ATOM 239 CA GLY A 16 7.292 -4.343 7.071 1.00 0.00 C ATOM 240 C GLY A 16 6.165 -5.253 7.570 1.00 0.00 C ATOM 241 O GLY A 16 6.188 -6.452 7.376 1.00 0.00 O ATOM 0 H GLY A 16 6.991 -2.314 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.017 -4.924 6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.826 -3.911 7.917 1.00 0.00 H new ATOM 245 N LYS A 17 5.179 -4.689 8.214 1.00 0.00 N ATOM 246 CA LYS A 17 4.049 -5.516 8.732 1.00 0.00 C ATOM 247 C LYS A 17 3.194 -6.048 7.584 1.00 0.00 C ATOM 248 O LYS A 17 3.304 -7.193 7.193 1.00 0.00 O ATOM 249 CB LYS A 17 3.234 -4.562 9.606 1.00 0.00 C ATOM 250 CG LYS A 17 3.370 -4.973 11.074 1.00 0.00 C ATOM 251 CD LYS A 17 3.135 -3.755 11.968 1.00 0.00 C ATOM 252 CE LYS A 17 3.208 -4.177 13.436 1.00 0.00 C ATOM 253 NZ LYS A 17 2.142 -5.205 13.593 1.00 0.00 N ATOM 0 H LYS A 17 5.106 -3.690 8.404 1.00 0.00 H new ATOM 0 HA LYS A 17 4.402 -6.386 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.584 -3.539 9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.186 -4.583 9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.650 -5.756 11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.362 -5.386 11.257 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.883 -2.989 11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.161 -3.316 11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.189 -4.584 13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.040 -3.329 14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.661 -5.069 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.452 -5.111 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.567 -6.154 13.564 1.00 0.00 H new ATOM 267 N PHE A 18 2.342 -5.217 7.063 1.00 0.00 N ATOM 268 CA PHE A 18 1.444 -5.631 5.939 1.00 0.00 C ATOM 269 C PHE A 18 2.129 -6.646 5.030 1.00 0.00 C ATOM 270 O PHE A 18 1.736 -7.793 4.951 1.00 0.00 O ATOM 271 CB PHE A 18 1.152 -4.341 5.172 1.00 0.00 C ATOM 272 CG PHE A 18 -0.314 -4.000 5.300 1.00 0.00 C ATOM 273 CD1 PHE A 18 -0.831 -3.586 6.534 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.155 -4.098 4.186 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.190 -3.270 6.653 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.514 -3.782 4.305 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.031 -3.368 5.539 1.00 0.00 C ATOM 0 H PHE A 18 2.223 -4.251 7.369 1.00 0.00 H new ATOM 0 HA PHE A 18 0.537 -6.112 6.306 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.761 -3.527 5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.418 -4.462 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.182 -3.510 7.394 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.756 -4.417 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.589 -2.951 7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.163 -3.858 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.079 -3.124 5.631 1.00 0.00 H new ATOM 287 N ALA A 19 3.146 -6.230 4.349 1.00 0.00 N ATOM 288 CA ALA A 19 3.869 -7.162 3.438 1.00 0.00 C ATOM 289 C ALA A 19 4.043 -8.521 4.117 1.00 0.00 C ATOM 290 O ALA A 19 3.420 -9.491 3.746 1.00 0.00 O ATOM 291 CB ALA A 19 5.227 -6.505 3.185 1.00 0.00 C ATOM 0 H ALA A 19 3.516 -5.280 4.379 1.00 0.00 H new ATOM 0 HA ALA A 19 3.329 -7.336 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.818 -7.135 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.079 -5.529 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.754 -6.382 4.131 1.00 0.00 H new ATOM 297 N VAL A 20 4.875 -8.599 5.118 1.00 0.00 N ATOM 298 CA VAL A 20 5.071 -9.903 5.814 1.00 0.00 C ATOM 299 C VAL A 20 3.721 -10.587 6.046 1.00 0.00 C ATOM 300 O VAL A 20 3.642 -11.793 6.163 1.00 0.00 O ATOM 301 CB VAL A 20 5.734 -9.547 7.146 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.625 -10.733 8.106 1.00 0.00 C ATOM 303 CG2 VAL A 20 7.210 -9.220 6.907 1.00 0.00 C ATOM 0 H VAL A 20 5.425 -7.822 5.483 1.00 0.00 H new ATOM 0 HA VAL A 20 5.679 -10.595 5.232 1.00 0.00 H new ATOM 0 HB VAL A 20 5.233 -8.682 7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.098 -10.478 9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.574 -10.968 8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.125 -11.599 7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.684 -8.966 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.709 -10.086 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.289 -8.375 6.224 1.00 0.00 H new ATOM 313 N ASP A 21 2.658 -9.833 6.109 1.00 0.00 N ATOM 314 CA ASP A 21 1.321 -10.456 6.325 1.00 0.00 C ATOM 315 C ASP A 21 0.664 -10.773 4.985 1.00 0.00 C ATOM 316 O ASP A 21 0.522 -11.919 4.619 1.00 0.00 O ATOM 317 CB ASP A 21 0.509 -9.413 7.094 1.00 0.00 C ATOM 318 CG ASP A 21 -0.602 -10.109 7.883 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.227 -10.996 7.326 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.807 -9.743 9.028 1.00 0.00 O ATOM 0 H ASP A 21 2.657 -8.817 6.021 1.00 0.00 H new ATOM 0 HA ASP A 21 1.389 -11.396 6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.158 -8.859 7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.079 -8.689 6.402 1.00 0.00 H new ATOM 325 N GLU A 22 0.263 -9.781 4.241 1.00 0.00 N ATOM 326 CA GLU A 22 -0.374 -10.081 2.929 1.00 0.00 C ATOM 327 C GLU A 22 0.607 -10.859 2.057 1.00 0.00 C ATOM 328 O GLU A 22 0.227 -11.740 1.320 1.00 0.00 O ATOM 329 CB GLU A 22 -0.733 -8.723 2.316 1.00 0.00 C ATOM 330 CG GLU A 22 -1.823 -8.059 3.160 1.00 0.00 C ATOM 331 CD GLU A 22 -3.024 -8.997 3.276 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.357 -9.628 2.284 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.593 -9.071 4.352 1.00 0.00 O ATOM 0 H GLU A 22 0.346 -8.792 4.478 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.267 -10.698 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.150 -8.085 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.080 -8.854 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.436 -7.823 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.127 -7.117 2.704 1.00 0.00 H new ATOM 340 N GLU A 23 1.867 -10.568 2.163 1.00 0.00 N ATOM 341 CA GLU A 23 2.874 -11.322 1.360 1.00 0.00 C ATOM 342 C GLU A 23 2.911 -12.768 1.841 1.00 0.00 C ATOM 343 O GLU A 23 2.720 -13.687 1.076 1.00 0.00 O ATOM 344 CB GLU A 23 4.213 -10.627 1.612 1.00 0.00 C ATOM 345 CG GLU A 23 5.170 -10.929 0.457 1.00 0.00 C ATOM 346 CD GLU A 23 6.441 -11.583 1.001 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.642 -11.532 2.204 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.192 -12.123 0.207 1.00 0.00 O ATOM 0 H GLU A 23 2.249 -9.842 2.769 1.00 0.00 H new ATOM 0 HA GLU A 23 2.639 -11.333 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.065 -9.551 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.642 -10.971 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.689 -11.590 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.420 -10.009 -0.071 1.00 0.00 H new ATOM 355 N ASN A 24 3.123 -12.983 3.106 1.00 0.00 N ATOM 356 CA ASN A 24 3.125 -14.385 3.602 1.00 0.00 C ATOM 357 C ASN A 24 1.723 -14.954 3.415 1.00 0.00 C ATOM 358 O ASN A 24 1.544 -16.065 2.957 1.00 0.00 O ATOM 359 CB ASN A 24 3.491 -14.304 5.083 1.00 0.00 C ATOM 360 CG ASN A 24 4.930 -13.804 5.228 1.00 0.00 C ATOM 361 OD1 ASN A 24 5.294 -12.794 4.661 1.00 0.00 O ATOM 362 ND2 ASN A 24 5.770 -14.476 5.968 1.00 0.00 N ATOM 0 H ASN A 24 3.292 -12.263 3.808 1.00 0.00 H new ATOM 0 HA ASN A 24 3.828 -15.028 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.807 -13.631 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.387 -15.284 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.732 -14.152 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.464 -15.325 6.444 1.00 0.00 H new ATOM 369 N LYS A 25 0.723 -14.184 3.747 1.00 0.00 N ATOM 370 CA LYS A 25 -0.674 -14.664 3.567 1.00 0.00 C ATOM 371 C LYS A 25 -0.912 -15.033 2.104 1.00 0.00 C ATOM 372 O LYS A 25 -1.466 -16.069 1.794 1.00 0.00 O ATOM 373 CB LYS A 25 -1.558 -13.485 3.979 1.00 0.00 C ATOM 374 CG LYS A 25 -3.015 -13.942 4.056 1.00 0.00 C ATOM 375 CD LYS A 25 -3.630 -13.470 5.374 1.00 0.00 C ATOM 376 CE LYS A 25 -5.012 -14.105 5.550 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.938 -13.229 4.778 1.00 0.00 N ATOM 0 H LYS A 25 0.814 -13.245 4.134 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.888 -15.553 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.236 -13.096 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.458 -12.673 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.578 -13.539 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.071 -15.028 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.984 -13.744 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.714 -12.383 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.028 -15.127 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.295 -14.150 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.907 -13.599 4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.906 -12.264 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.648 -13.211 3.780 1.00 0.00 H new ATOM 391 N ILE A 26 -0.495 -14.192 1.206 1.00 0.00 N ATOM 392 CA ILE A 26 -0.694 -14.495 -0.245 1.00 0.00 C ATOM 393 C ILE A 26 0.104 -15.741 -0.634 1.00 0.00 C ATOM 394 O ILE A 26 -0.141 -16.357 -1.653 1.00 0.00 O ATOM 395 CB ILE A 26 -0.204 -13.254 -1.015 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.891 -13.205 -2.382 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.314 -13.303 -1.224 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.408 -13.264 -2.194 1.00 0.00 C ATOM 0 H ILE A 26 -0.026 -13.309 1.407 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.739 -14.703 -0.477 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.450 -12.367 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.614 -12.291 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.558 -14.040 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.635 -12.416 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.814 -13.334 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.574 -14.194 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.897 -13.229 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.676 -14.191 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.734 -12.414 -1.594 1.00 0.00 H new ATOM 410 N GLY A 27 1.056 -16.113 0.173 1.00 0.00 N ATOM 411 CA GLY A 27 1.873 -17.318 -0.144 1.00 0.00 C ATOM 412 C GLY A 27 3.311 -16.897 -0.447 1.00 0.00 C ATOM 413 O GLY A 27 3.962 -17.451 -1.311 1.00 0.00 O ATOM 0 H GLY A 27 1.305 -15.635 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.856 -18.013 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.449 -17.843 -1.000 1.00 0.00 H new ATOM 417 N GLN A 28 3.813 -15.921 0.258 1.00 0.00 N ATOM 418 CA GLN A 28 5.211 -15.465 0.012 1.00 0.00 C ATOM 419 C GLN A 28 5.912 -15.180 1.342 1.00 0.00 C ATOM 420 O GLN A 28 6.154 -14.044 1.697 1.00 0.00 O ATOM 421 CB GLN A 28 5.072 -14.184 -0.810 1.00 0.00 C ATOM 422 CG GLN A 28 5.696 -14.393 -2.191 1.00 0.00 C ATOM 423 CD GLN A 28 4.651 -14.117 -3.273 1.00 0.00 C ATOM 424 OE1 GLN A 28 4.114 -13.030 -3.352 1.00 0.00 O ATOM 425 NE2 GLN A 28 4.337 -15.062 -4.116 1.00 0.00 N ATOM 0 H GLN A 28 3.316 -15.419 0.994 1.00 0.00 H new ATOM 0 HA GLN A 28 5.807 -16.216 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.020 -13.917 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.563 -13.356 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.551 -13.729 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.068 -15.413 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.788 -15.975 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.641 -14.888 -4.841 1.00 0.00 H new ATOM 434 N TYR A 29 6.239 -16.206 2.080 1.00 0.00 N ATOM 435 CA TYR A 29 6.924 -15.997 3.387 1.00 0.00 C ATOM 436 C TYR A 29 8.378 -16.465 3.301 1.00 0.00 C ATOM 437 O TYR A 29 8.954 -16.914 4.271 1.00 0.00 O ATOM 438 CB TYR A 29 6.143 -16.855 4.385 1.00 0.00 C ATOM 439 CG TYR A 29 6.408 -18.316 4.108 1.00 0.00 C ATOM 440 CD1 TYR A 29 5.624 -19.005 3.175 1.00 0.00 C ATOM 441 CD2 TYR A 29 7.438 -18.980 4.785 1.00 0.00 C ATOM 442 CE1 TYR A 29 5.869 -20.359 2.919 1.00 0.00 C ATOM 443 CE2 TYR A 29 7.683 -20.335 4.529 1.00 0.00 C ATOM 444 CZ TYR A 29 6.899 -21.024 3.596 1.00 0.00 C ATOM 445 OH TYR A 29 7.141 -22.358 3.344 1.00 0.00 O ATOM 0 H TYR A 29 6.061 -17.180 1.834 1.00 0.00 H new ATOM 0 HA TYR A 29 6.944 -14.947 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.440 -16.607 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.076 -16.646 4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.830 -18.492 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.043 -18.448 5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.264 -20.891 2.200 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.477 -20.848 5.051 1.00 0.00 H new ATOM 0 HH TYR A 29 7.890 -22.665 3.897 1.00 0.00 H new ATOM 455 N GLY A 30 8.971 -16.366 2.142 1.00 0.00 N ATOM 456 CA GLY A 30 10.388 -16.806 1.987 1.00 0.00 C ATOM 457 C GLY A 30 11.207 -16.339 3.192 1.00 0.00 C ATOM 458 O GLY A 30 11.939 -17.103 3.789 1.00 0.00 O ATOM 0 H GLY A 30 8.536 -15.999 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.435 -17.892 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.808 -16.396 1.069 1.00 0.00 H new ATOM 462 N ARG A 31 11.089 -15.091 3.556 1.00 0.00 N ATOM 463 CA ARG A 31 11.863 -14.582 4.724 1.00 0.00 C ATOM 464 C ARG A 31 11.191 -13.331 5.297 1.00 0.00 C ATOM 465 O ARG A 31 10.357 -13.409 6.177 1.00 0.00 O ATOM 466 CB ARG A 31 13.245 -14.239 4.165 1.00 0.00 C ATOM 467 CG ARG A 31 13.973 -15.526 3.774 1.00 0.00 C ATOM 468 CD ARG A 31 15.435 -15.210 3.453 1.00 0.00 C ATOM 469 NE ARG A 31 16.119 -16.532 3.431 1.00 0.00 N ATOM 470 CZ ARG A 31 16.777 -16.944 4.479 1.00 0.00 C ATOM 471 NH1 ARG A 31 17.702 -16.189 5.009 1.00 0.00 N ATOM 472 NH2 ARG A 31 16.513 -18.112 4.999 1.00 0.00 N ATOM 0 H ARG A 31 10.492 -14.403 3.097 1.00 0.00 H new ATOM 0 HA ARG A 31 11.920 -15.312 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 31 13.146 -13.587 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 31 13.824 -13.693 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.917 -16.249 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.490 -15.981 2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.527 -14.702 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.871 -14.552 4.205 1.00 0.00 H new ATOM 0 HE ARG A 31 16.073 -17.116 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.910 -15.277 4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.216 -16.512 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.792 -18.703 4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.028 -18.434 5.819 1.00 0.00 H new ATOM 486 N LEU A 32 11.546 -12.178 4.799 1.00 0.00 N ATOM 487 CA LEU A 32 10.927 -10.920 5.308 1.00 0.00 C ATOM 488 C LEU A 32 10.679 -9.954 4.147 1.00 0.00 C ATOM 489 O LEU A 32 11.358 -9.990 3.141 1.00 0.00 O ATOM 490 CB LEU A 32 11.945 -10.332 6.293 1.00 0.00 C ATOM 491 CG LEU A 32 13.364 -10.512 5.748 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.535 -9.677 4.478 1.00 0.00 C ATOM 493 CD2 LEU A 32 14.375 -10.051 6.800 1.00 0.00 C ATOM 0 H LEU A 32 12.239 -12.052 4.061 1.00 0.00 H new ATOM 0 HA LEU A 32 9.965 -11.100 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.739 -9.274 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.853 -10.824 7.261 1.00 0.00 H new ATOM 0 HG LEU A 32 13.532 -11.564 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.546 -9.806 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.815 -10.004 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.366 -8.625 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.386 -10.179 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.205 -9.000 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.255 -10.646 7.705 1.00 0.00 H new ATOM 505 N THR A 33 9.703 -9.096 4.273 1.00 0.00 N ATOM 506 CA THR A 33 9.409 -8.137 3.172 1.00 0.00 C ATOM 507 C THR A 33 9.818 -6.718 3.575 1.00 0.00 C ATOM 508 O THR A 33 9.024 -5.799 3.538 1.00 0.00 O ATOM 509 CB THR A 33 7.895 -8.227 2.968 1.00 0.00 C ATOM 510 OG1 THR A 33 7.302 -8.872 4.087 1.00 0.00 O ATOM 511 CG2 THR A 33 7.596 -9.029 1.699 1.00 0.00 C ATOM 0 H THR A 33 9.098 -9.018 5.090 1.00 0.00 H new ATOM 0 HA THR A 33 9.959 -8.372 2.261 1.00 0.00 H new ATOM 0 HB THR A 33 7.483 -7.223 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.269 -9.838 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.518 -9.093 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.049 -8.533 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.009 -10.033 1.797 1.00 0.00 H new ATOM 519 N PHE A 34 11.053 -6.531 3.954 1.00 0.00 N ATOM 520 CA PHE A 34 11.515 -5.170 4.354 1.00 0.00 C ATOM 521 C PHE A 34 13.011 -5.199 4.691 1.00 0.00 C ATOM 522 O PHE A 34 13.444 -5.895 5.588 1.00 0.00 O ATOM 523 CB PHE A 34 10.677 -4.807 5.586 1.00 0.00 C ATOM 524 CG PHE A 34 11.231 -5.494 6.814 1.00 0.00 C ATOM 525 CD1 PHE A 34 11.158 -6.887 6.932 1.00 0.00 C ATOM 526 CD2 PHE A 34 11.818 -4.735 7.833 1.00 0.00 C ATOM 527 CE1 PHE A 34 11.672 -7.521 8.070 1.00 0.00 C ATOM 528 CE2 PHE A 34 12.333 -5.368 8.971 1.00 0.00 C ATOM 529 CZ PHE A 34 12.260 -6.760 9.089 1.00 0.00 C ATOM 0 H PHE A 34 11.763 -7.262 4.004 1.00 0.00 H new ATOM 0 HA PHE A 34 11.389 -4.437 3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.680 -3.727 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.640 -5.105 5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.705 -7.473 6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.874 -3.660 7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.615 -8.596 8.162 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.786 -4.782 9.757 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.657 -7.249 9.966 1.00 0.00 H new ATOM 539 N ASN A 35 13.806 -4.452 3.974 1.00 0.00 N ATOM 540 CA ASN A 35 15.271 -4.443 4.255 1.00 0.00 C ATOM 541 C ASN A 35 15.918 -3.156 3.732 1.00 0.00 C ATOM 542 O ASN A 35 16.553 -2.429 4.470 1.00 0.00 O ATOM 543 CB ASN A 35 15.822 -5.659 3.509 1.00 0.00 C ATOM 544 CG ASN A 35 17.327 -5.771 3.759 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.781 -5.626 4.876 1.00 0.00 O ATOM 546 ND2 ASN A 35 18.125 -6.026 2.759 1.00 0.00 N ATOM 0 H ASN A 35 13.506 -3.849 3.208 1.00 0.00 H new ATOM 0 HA ASN A 35 15.481 -4.484 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.318 -6.565 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.626 -5.564 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 35 19.130 -6.104 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.744 -6.148 1.821 1.00 0.00 H new ATOM 553 N LYS A 36 15.778 -2.872 2.464 1.00 0.00 N ATOM 554 CA LYS A 36 16.406 -1.638 1.906 1.00 0.00 C ATOM 555 C LYS A 36 15.709 -0.375 2.436 1.00 0.00 C ATOM 556 O LYS A 36 16.020 0.097 3.512 1.00 0.00 O ATOM 557 CB LYS A 36 16.250 -1.762 0.389 1.00 0.00 C ATOM 558 CG LYS A 36 17.543 -2.320 -0.208 1.00 0.00 C ATOM 559 CD LYS A 36 18.370 -1.175 -0.798 1.00 0.00 C ATOM 560 CE LYS A 36 19.510 -1.749 -1.642 1.00 0.00 C ATOM 561 NZ LYS A 36 20.756 -1.325 -0.944 1.00 0.00 N ATOM 0 H LYS A 36 15.259 -3.438 1.793 1.00 0.00 H new ATOM 0 HA LYS A 36 17.452 -1.546 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.413 -2.418 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.026 -0.788 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.117 -2.838 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.312 -3.052 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.737 -0.534 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.773 -0.554 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.444 -2.835 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.478 -1.365 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.583 -1.681 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.794 -0.287 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.761 -1.711 0.022 1.00 0.00 H new ATOM 575 N VAL A 37 14.789 0.196 1.696 1.00 0.00 N ATOM 576 CA VAL A 37 14.121 1.442 2.186 1.00 0.00 C ATOM 577 C VAL A 37 12.783 1.683 1.468 1.00 0.00 C ATOM 578 O VAL A 37 12.436 1.000 0.526 1.00 0.00 O ATOM 579 CB VAL A 37 15.119 2.553 1.848 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.412 3.911 1.826 1.00 0.00 C ATOM 581 CG2 VAL A 37 16.227 2.577 2.901 1.00 0.00 C ATOM 0 H VAL A 37 14.475 -0.141 0.786 1.00 0.00 H new ATOM 0 HA VAL A 37 13.882 1.390 3.248 1.00 0.00 H new ATOM 0 HB VAL A 37 15.546 2.358 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.133 4.692 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.624 3.899 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.976 4.110 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.939 3.367 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.792 2.765 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.741 1.616 2.910 1.00 0.00 H new ATOM 591 N ILE A 38 12.040 2.666 1.915 1.00 0.00 N ATOM 592 CA ILE A 38 10.728 2.985 1.273 1.00 0.00 C ATOM 593 C ILE A 38 10.683 4.468 0.902 1.00 0.00 C ATOM 594 O ILE A 38 10.816 5.334 1.743 1.00 0.00 O ATOM 595 CB ILE A 38 9.666 2.642 2.332 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.339 3.350 2.002 1.00 0.00 C ATOM 597 CG2 ILE A 38 10.147 3.063 3.725 1.00 0.00 C ATOM 598 CD1 ILE A 38 8.387 4.830 2.401 1.00 0.00 C ATOM 0 H ILE A 38 12.289 3.265 2.703 1.00 0.00 H new ATOM 0 HA ILE A 38 10.562 2.424 0.353 1.00 0.00 H new ATOM 0 HB ILE A 38 9.506 1.564 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.134 3.265 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.520 2.856 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.385 2.814 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.071 2.537 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.327 4.138 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.436 5.304 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.568 4.912 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.191 5.327 1.858 1.00 0.00 H new ATOM 610 N ARG A 39 10.498 4.766 -0.355 1.00 0.00 N ATOM 611 CA ARG A 39 10.444 6.193 -0.778 1.00 0.00 C ATOM 612 C ARG A 39 9.211 6.445 -1.666 1.00 0.00 C ATOM 613 O ARG A 39 8.396 7.286 -1.344 1.00 0.00 O ATOM 614 CB ARG A 39 11.769 6.441 -1.521 1.00 0.00 C ATOM 615 CG ARG A 39 11.557 7.382 -2.713 1.00 0.00 C ATOM 616 CD ARG A 39 12.895 8.007 -3.114 1.00 0.00 C ATOM 617 NE ARG A 39 13.181 9.014 -2.057 1.00 0.00 N ATOM 618 CZ ARG A 39 14.246 9.764 -2.141 1.00 0.00 C ATOM 619 NH1 ARG A 39 14.860 9.899 -3.284 1.00 0.00 N ATOM 620 NH2 ARG A 39 14.698 10.376 -1.081 1.00 0.00 N ATOM 0 H ARG A 39 10.382 4.085 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 39 10.339 6.879 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.500 6.872 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.179 5.493 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.134 6.832 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.843 8.163 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.682 7.255 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.834 8.473 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 39 12.545 9.118 -1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.508 9.419 -4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.692 10.485 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.219 10.268 -0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.530 10.962 -1.146 1.00 0.00 H new ATOM 634 N PRO A 40 9.100 5.719 -2.756 1.00 0.00 N ATOM 635 CA PRO A 40 7.946 5.906 -3.655 1.00 0.00 C ATOM 636 C PRO A 40 6.756 5.051 -3.205 1.00 0.00 C ATOM 637 O PRO A 40 6.091 4.411 -3.998 1.00 0.00 O ATOM 638 CB PRO A 40 8.481 5.467 -5.012 1.00 0.00 C ATOM 639 CG PRO A 40 9.626 4.536 -4.723 1.00 0.00 C ATOM 640 CD PRO A 40 10.003 4.682 -3.262 1.00 0.00 C ATOM 0 HA PRO A 40 7.570 6.929 -3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.707 4.965 -5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.813 6.325 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.342 3.506 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.478 4.773 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.873 3.744 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.047 4.974 -3.148 1.00 0.00 H new ATOM 648 N CYS A 41 6.475 5.057 -1.936 1.00 0.00 N ATOM 649 CA CYS A 41 5.313 4.270 -1.425 1.00 0.00 C ATOM 650 C CYS A 41 4.033 5.102 -1.560 1.00 0.00 C ATOM 651 O CYS A 41 3.561 5.690 -0.608 1.00 0.00 O ATOM 652 CB CYS A 41 5.619 3.998 0.048 1.00 0.00 C ATOM 653 SG CYS A 41 5.917 5.559 0.909 1.00 0.00 S ATOM 0 H CYS A 41 6.997 5.571 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 41 5.164 3.343 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.785 3.470 0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.493 3.352 0.134 1.00 0.00 H new ATOM 0 HG CYS A 41 5.671 6.551 0.106 1.00 0.00 H new ATOM 659 N MET A 42 3.474 5.165 -2.738 1.00 0.00 N ATOM 660 CA MET A 42 2.232 5.972 -2.934 1.00 0.00 C ATOM 661 C MET A 42 0.996 5.174 -2.510 1.00 0.00 C ATOM 662 O MET A 42 1.035 3.966 -2.380 1.00 0.00 O ATOM 663 CB MET A 42 2.186 6.261 -4.434 1.00 0.00 C ATOM 664 CG MET A 42 2.469 7.745 -4.677 1.00 0.00 C ATOM 665 SD MET A 42 1.759 8.243 -6.265 1.00 0.00 S ATOM 666 CE MET A 42 0.020 8.037 -5.809 1.00 0.00 C ATOM 0 H MET A 42 3.822 4.694 -3.573 1.00 0.00 H new ATOM 0 HA MET A 42 2.238 6.883 -2.335 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.922 5.649 -4.956 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.208 5.996 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.043 8.344 -3.872 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.544 7.926 -4.674 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.401 7.192 -6.354 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.056 7.852 -4.737 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.532 8.942 -6.061 1.00 0.00 H new ATOM 676 N LYS A 43 -0.105 5.845 -2.301 1.00 0.00 N ATOM 677 CA LYS A 43 -1.351 5.134 -1.893 1.00 0.00 C ATOM 678 C LYS A 43 -2.557 5.713 -2.635 1.00 0.00 C ATOM 679 O LYS A 43 -2.660 6.908 -2.832 1.00 0.00 O ATOM 680 CB LYS A 43 -1.483 5.378 -0.388 1.00 0.00 C ATOM 681 CG LYS A 43 -2.737 4.675 0.136 1.00 0.00 C ATOM 682 CD LYS A 43 -3.294 5.449 1.332 1.00 0.00 C ATOM 683 CE LYS A 43 -4.535 6.234 0.901 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.675 5.305 1.129 1.00 0.00 N ATOM 0 H LYS A 43 -0.195 6.857 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.310 4.071 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.600 5.004 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.542 6.448 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.488 4.613 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.498 3.653 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.548 4.760 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.537 6.130 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.647 7.147 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.471 6.531 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.207 5.185 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.313 4.382 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.302 5.698 1.859 1.00 0.00 H new ATOM 698 N LYS A 44 -3.471 4.878 -3.044 1.00 0.00 N ATOM 699 CA LYS A 44 -4.669 5.387 -3.770 1.00 0.00 C ATOM 700 C LYS A 44 -5.912 4.589 -3.366 1.00 0.00 C ATOM 701 O LYS A 44 -5.926 3.374 -3.396 1.00 0.00 O ATOM 702 CB LYS A 44 -4.353 5.178 -5.252 1.00 0.00 C ATOM 703 CG LYS A 44 -5.343 5.978 -6.103 1.00 0.00 C ATOM 704 CD LYS A 44 -5.151 5.623 -7.579 1.00 0.00 C ATOM 705 CE LYS A 44 -4.256 6.671 -8.244 1.00 0.00 C ATOM 706 NZ LYS A 44 -5.192 7.555 -8.995 1.00 0.00 N ATOM 0 H LYS A 44 -3.441 3.868 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.877 6.432 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.333 5.497 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.415 4.119 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.365 5.757 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.188 7.046 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.701 4.634 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.117 5.582 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.690 7.235 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.531 6.205 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.652 8.301 -9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.712 6.992 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.866 7.990 -8.333 1.00 0.00 H new ATOM 720 N THR A 45 -6.959 5.265 -2.986 1.00 0.00 N ATOM 721 CA THR A 45 -8.200 4.548 -2.578 1.00 0.00 C ATOM 722 C THR A 45 -9.333 4.849 -3.563 1.00 0.00 C ATOM 723 O THR A 45 -9.305 5.835 -4.273 1.00 0.00 O ATOM 724 CB THR A 45 -8.527 5.104 -1.185 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.767 4.403 -0.207 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.022 4.937 -0.894 1.00 0.00 C ATOM 0 H THR A 45 -7.010 6.283 -2.940 1.00 0.00 H new ATOM 0 HA THR A 45 -8.075 3.465 -2.568 1.00 0.00 H new ATOM 0 HB THR A 45 -8.275 6.164 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.183 4.515 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.246 5.334 0.096 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.601 5.479 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.284 3.879 -0.929 1.00 0.00 H new ATOM 734 N ILE A 46 -10.344 4.022 -3.592 1.00 0.00 N ATOM 735 CA ILE A 46 -11.486 4.278 -4.502 1.00 0.00 C ATOM 736 C ILE A 46 -12.768 4.136 -3.699 1.00 0.00 C ATOM 737 O ILE A 46 -13.393 3.094 -3.681 1.00 0.00 O ATOM 738 CB ILE A 46 -11.403 3.203 -5.578 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.540 3.412 -6.578 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.538 1.828 -4.926 1.00 0.00 C ATOM 741 CD1 ILE A 46 -11.995 3.297 -8.002 1.00 0.00 C ATOM 0 H ILE A 46 -10.424 3.180 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.467 5.272 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.446 3.265 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.322 2.670 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.994 4.392 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.479 1.055 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.733 1.687 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.498 1.760 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.806 3.446 -8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.228 4.055 -8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.562 2.307 -8.147 1.00 0.00 H new ATOM 753 N TYR A 47 -13.149 5.163 -3.007 1.00 0.00 N ATOM 754 CA TYR A 47 -14.373 5.069 -2.174 1.00 0.00 C ATOM 755 C TYR A 47 -15.618 4.967 -3.050 1.00 0.00 C ATOM 756 O TYR A 47 -15.547 4.702 -4.234 1.00 0.00 O ATOM 757 CB TYR A 47 -14.447 6.363 -1.365 1.00 0.00 C ATOM 758 CG TYR A 47 -13.116 6.717 -0.746 1.00 0.00 C ATOM 759 CD1 TYR A 47 -12.720 6.116 0.456 1.00 0.00 C ATOM 760 CD2 TYR A 47 -12.294 7.674 -1.353 1.00 0.00 C ATOM 761 CE1 TYR A 47 -11.500 6.468 1.046 1.00 0.00 C ATOM 762 CE2 TYR A 47 -11.076 8.030 -0.761 1.00 0.00 C ATOM 763 CZ TYR A 47 -10.679 7.425 0.439 1.00 0.00 C ATOM 764 OH TYR A 47 -9.478 7.775 1.024 1.00 0.00 O ATOM 0 H TYR A 47 -12.669 6.063 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.332 4.185 -1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.775 7.177 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -15.196 6.258 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -13.356 5.381 0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.600 8.138 -2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.192 6.001 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.443 8.770 -1.229 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.031 8.451 0.474 1.00 0.00 H new ATOM 774 N GLU A 48 -16.760 5.186 -2.464 1.00 0.00 N ATOM 775 CA GLU A 48 -18.032 5.114 -3.243 1.00 0.00 C ATOM 776 C GLU A 48 -18.086 6.251 -4.264 1.00 0.00 C ATOM 777 O GLU A 48 -17.498 6.165 -5.324 1.00 0.00 O ATOM 778 CB GLU A 48 -19.142 5.265 -2.200 1.00 0.00 C ATOM 779 CG GLU A 48 -20.497 5.361 -2.905 1.00 0.00 C ATOM 780 CD GLU A 48 -21.100 3.963 -3.047 1.00 0.00 C ATOM 781 OE1 GLU A 48 -21.804 3.547 -2.140 1.00 0.00 O ATOM 782 OE2 GLU A 48 -20.850 3.330 -4.060 1.00 0.00 O ATOM 0 H GLU A 48 -16.871 5.413 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 48 -18.127 4.183 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.134 4.414 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -18.970 6.157 -1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -21.170 6.002 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.376 5.818 -3.887 1.00 0.00 H new ATOM 789 N ASN A 49 -18.774 7.317 -3.970 1.00 0.00 N ATOM 790 CA ASN A 49 -18.834 8.436 -4.953 1.00 0.00 C ATOM 791 C ASN A 49 -18.447 9.743 -4.270 1.00 0.00 C ATOM 792 O ASN A 49 -17.340 10.227 -4.402 1.00 0.00 O ATOM 793 CB ASN A 49 -20.291 8.482 -5.417 1.00 0.00 C ATOM 794 CG ASN A 49 -20.470 7.560 -6.624 1.00 0.00 C ATOM 795 OD1 ASN A 49 -19.606 7.609 -7.600 1.00 0.00 O flip ATOM 796 ND2 ASN A 49 -21.406 6.788 -6.680 1.00 0.00 N flip ATOM 0 H ASN A 49 -19.292 7.463 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 49 -18.149 8.294 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.952 8.172 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -20.568 9.503 -5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -22.082 6.750 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -21.516 6.178 -7.490 1.00 0.00 H new ATOM 803 N GLU A 50 -19.351 10.308 -3.530 1.00 0.00 N ATOM 804 CA GLU A 50 -19.055 11.575 -2.816 1.00 0.00 C ATOM 805 C GLU A 50 -19.839 11.594 -1.510 1.00 0.00 C ATOM 806 O GLU A 50 -20.056 12.631 -0.913 1.00 0.00 O ATOM 807 CB GLU A 50 -19.531 12.686 -3.752 1.00 0.00 C ATOM 808 CG GLU A 50 -18.433 13.743 -3.890 1.00 0.00 C ATOM 809 CD GLU A 50 -19.070 15.129 -4.010 1.00 0.00 C ATOM 810 OE1 GLU A 50 -19.616 15.597 -3.023 1.00 0.00 O ATOM 811 OE2 GLU A 50 -19.001 15.700 -5.086 1.00 0.00 O ATOM 0 H GLU A 50 -20.293 9.943 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.999 11.693 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.777 12.272 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -20.441 13.141 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.771 13.709 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.822 13.535 -4.768 1.00 0.00 H new ATOM 818 N ARG A 51 -20.279 10.447 -1.070 1.00 0.00 N ATOM 819 CA ARG A 51 -21.065 10.393 0.195 1.00 0.00 C ATOM 820 C ARG A 51 -20.768 9.108 0.976 1.00 0.00 C ATOM 821 O ARG A 51 -20.859 9.079 2.187 1.00 0.00 O ATOM 822 CB ARG A 51 -22.527 10.418 -0.252 1.00 0.00 C ATOM 823 CG ARG A 51 -23.432 10.624 0.964 1.00 0.00 C ATOM 824 CD ARG A 51 -24.712 11.343 0.531 1.00 0.00 C ATOM 825 NE ARG A 51 -25.707 11.025 1.591 1.00 0.00 N ATOM 826 CZ ARG A 51 -26.418 11.980 2.127 1.00 0.00 C ATOM 827 NH1 ARG A 51 -27.279 12.637 1.400 1.00 0.00 N ATOM 828 NH2 ARG A 51 -26.266 12.277 3.389 1.00 0.00 N ATOM 0 H ARG A 51 -20.129 9.549 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 51 -20.818 11.220 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -22.683 11.219 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -22.781 9.484 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -23.677 9.663 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -22.912 11.209 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -24.553 12.418 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -25.050 10.995 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 51 -25.834 10.061 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -27.396 12.405 0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -27.835 13.383 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -25.592 11.763 3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -26.821 13.023 3.808 1.00 0.00 H new ATOM 842 N GLU A 52 -20.421 8.043 0.304 1.00 0.00 N ATOM 843 CA GLU A 52 -20.135 6.775 1.037 1.00 0.00 C ATOM 844 C GLU A 52 -18.693 6.336 0.810 1.00 0.00 C ATOM 845 O GLU A 52 -17.837 7.111 0.432 1.00 0.00 O ATOM 846 CB GLU A 52 -21.089 5.723 0.457 1.00 0.00 C ATOM 847 CG GLU A 52 -22.406 6.372 0.027 1.00 0.00 C ATOM 848 CD GLU A 52 -23.142 6.904 1.258 1.00 0.00 C ATOM 849 OE1 GLU A 52 -22.517 7.004 2.300 1.00 0.00 O ATOM 850 OE2 GLU A 52 -24.319 7.203 1.136 1.00 0.00 O ATOM 0 H GLU A 52 -20.324 7.995 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 52 -20.275 6.906 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -20.623 5.233 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.283 4.950 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -22.211 7.185 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -23.028 5.645 -0.495 1.00 0.00 H new ATOM 857 N ILE A 53 -18.434 5.086 1.039 1.00 0.00 N ATOM 858 CA ILE A 53 -17.060 4.546 0.844 1.00 0.00 C ATOM 859 C ILE A 53 -17.121 3.334 -0.093 1.00 0.00 C ATOM 860 O ILE A 53 -18.186 2.843 -0.405 1.00 0.00 O ATOM 861 CB ILE A 53 -16.588 4.159 2.254 1.00 0.00 C ATOM 862 CG1 ILE A 53 -15.062 4.218 2.313 1.00 0.00 C ATOM 863 CG2 ILE A 53 -17.056 2.745 2.607 1.00 0.00 C ATOM 864 CD1 ILE A 53 -14.625 5.570 2.880 1.00 0.00 C ATOM 0 H ILE A 53 -19.122 4.403 1.357 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.374 5.258 0.386 1.00 0.00 H new ATOM 0 HB ILE A 53 -17.015 4.860 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -14.680 3.410 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.643 4.077 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -16.713 2.488 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.145 2.703 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -16.644 2.036 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -13.537 5.612 2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.995 6.370 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.032 5.692 3.884 1.00 0.00 H new ATOM 876 N LYS A 54 -16.002 2.854 -0.560 1.00 0.00 N ATOM 877 CA LYS A 54 -16.047 1.679 -1.484 1.00 0.00 C ATOM 878 C LYS A 54 -14.737 0.881 -1.513 1.00 0.00 C ATOM 879 O LYS A 54 -14.763 -0.330 -1.411 1.00 0.00 O ATOM 880 CB LYS A 54 -16.324 2.260 -2.861 1.00 0.00 C ATOM 881 CG LYS A 54 -16.863 1.164 -3.781 1.00 0.00 C ATOM 882 CD LYS A 54 -17.356 1.790 -5.087 1.00 0.00 C ATOM 883 CE LYS A 54 -17.615 0.687 -6.116 1.00 0.00 C ATOM 884 NZ LYS A 54 -16.961 1.166 -7.365 1.00 0.00 N ATOM 0 H LYS A 54 -15.072 3.215 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.809 0.975 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.046 3.073 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.410 2.683 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.082 0.432 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.678 0.631 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.269 2.357 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.614 2.492 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.194 -0.264 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.683 0.529 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.095 0.462 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.386 2.070 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.944 1.301 -7.195 1.00 0.00 H new ATOM 898 N GLY A 55 -13.589 1.499 -1.682 1.00 0.00 N ATOM 899 CA GLY A 55 -12.357 0.661 -1.741 1.00 0.00 C ATOM 900 C GLY A 55 -11.185 1.353 -1.059 1.00 0.00 C ATOM 901 O GLY A 55 -11.260 2.499 -0.681 1.00 0.00 O ATOM 0 H GLY A 55 -13.457 2.506 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.544 -0.300 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.105 0.454 -2.781 1.00 0.00 H new ATOM 905 N TYR A 56 -10.097 0.649 -0.910 1.00 0.00 N ATOM 906 CA TYR A 56 -8.893 1.238 -0.263 1.00 0.00 C ATOM 907 C TYR A 56 -7.664 0.405 -0.628 1.00 0.00 C ATOM 908 O TYR A 56 -7.338 -0.561 0.035 1.00 0.00 O ATOM 909 CB TYR A 56 -9.172 1.167 1.240 1.00 0.00 C ATOM 910 CG TYR A 56 -7.890 1.392 2.007 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.858 2.149 1.441 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.737 0.845 3.286 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.671 2.359 2.154 1.00 0.00 C ATOM 914 CE2 TYR A 56 -6.550 1.054 3.999 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.517 1.812 3.433 1.00 0.00 C ATOM 916 OH TYR A 56 -4.349 2.019 4.136 1.00 0.00 O ATOM 0 H TYR A 56 -9.991 -0.319 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.699 2.262 -0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.910 1.919 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -9.594 0.195 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.977 2.571 0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.534 0.262 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.875 2.943 1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.431 0.631 4.985 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.407 1.572 5.006 1.00 0.00 H new ATOM 926 N GLU A 57 -6.987 0.758 -1.686 1.00 0.00 N ATOM 927 CA GLU A 57 -5.788 -0.027 -2.100 1.00 0.00 C ATOM 928 C GLU A 57 -4.573 0.895 -2.189 1.00 0.00 C ATOM 929 O GLU A 57 -4.669 2.081 -1.948 1.00 0.00 O ATOM 930 CB GLU A 57 -6.126 -0.585 -3.490 1.00 0.00 C ATOM 931 CG GLU A 57 -7.612 -0.953 -3.568 1.00 0.00 C ATOM 932 CD GLU A 57 -7.943 -1.444 -4.978 1.00 0.00 C ATOM 933 OE1 GLU A 57 -7.140 -1.215 -5.867 1.00 0.00 O ATOM 934 OE2 GLU A 57 -8.995 -2.039 -5.145 1.00 0.00 O ATOM 0 H GLU A 57 -7.211 1.555 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.551 -0.820 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.887 0.154 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.515 -1.464 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.844 -1.728 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.226 -0.087 -3.320 1.00 0.00 H new ATOM 941 N TYR A 58 -3.432 0.375 -2.551 1.00 0.00 N ATOM 942 CA TYR A 58 -2.240 1.274 -2.666 1.00 0.00 C ATOM 943 C TYR A 58 -1.097 0.646 -3.449 1.00 0.00 C ATOM 944 O TYR A 58 -1.044 -0.546 -3.680 1.00 0.00 O ATOM 945 CB TYR A 58 -1.783 1.586 -1.229 1.00 0.00 C ATOM 946 CG TYR A 58 -0.981 0.443 -0.611 1.00 0.00 C ATOM 947 CD1 TYR A 58 0.260 0.028 -1.142 1.00 0.00 C ATOM 948 CD2 TYR A 58 -1.484 -0.190 0.530 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.970 -1.010 -0.523 1.00 0.00 C ATOM 950 CE2 TYR A 58 -0.769 -1.225 1.143 1.00 0.00 C ATOM 951 CZ TYR A 58 0.456 -1.634 0.616 1.00 0.00 C ATOM 952 OH TYR A 58 1.160 -2.656 1.221 1.00 0.00 O ATOM 0 H TYR A 58 -3.271 -0.608 -2.768 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.520 2.173 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.176 2.491 -1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.656 1.790 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.661 0.509 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.432 0.123 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.919 -1.329 -0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.166 -1.707 2.024 1.00 0.00 H new ATOM 0 HH TYR A 58 0.969 -2.660 2.182 1.00 0.00 H new ATOM 962 N GLN A 59 -0.149 1.470 -3.805 1.00 0.00 N ATOM 963 CA GLN A 59 1.058 0.994 -4.522 1.00 0.00 C ATOM 964 C GLN A 59 2.269 1.356 -3.661 1.00 0.00 C ATOM 965 O GLN A 59 2.630 2.510 -3.536 1.00 0.00 O ATOM 966 CB GLN A 59 1.078 1.762 -5.844 1.00 0.00 C ATOM 967 CG GLN A 59 -0.322 1.754 -6.463 1.00 0.00 C ATOM 968 CD GLN A 59 -0.337 2.652 -7.702 1.00 0.00 C ATOM 969 OE1 GLN A 59 0.358 3.647 -7.753 1.00 0.00 O ATOM 970 NE2 GLN A 59 -1.107 2.341 -8.709 1.00 0.00 N ATOM 0 H GLN A 59 -0.165 2.473 -3.623 1.00 0.00 H new ATOM 0 HA GLN A 59 1.067 -0.080 -4.706 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.406 2.788 -5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.793 1.307 -6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.605 0.737 -6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.054 2.106 -5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.690 1.505 -8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.125 2.933 -9.539 1.00 0.00 H new ATOM 979 N LEU A 60 2.886 0.389 -3.049 1.00 0.00 N ATOM 980 CA LEU A 60 4.056 0.688 -2.179 1.00 0.00 C ATOM 981 C LEU A 60 5.331 0.427 -2.958 1.00 0.00 C ATOM 982 O LEU A 60 6.044 -0.526 -2.718 1.00 0.00 O ATOM 983 CB LEU A 60 3.924 -0.260 -0.984 1.00 0.00 C ATOM 984 CG LEU A 60 5.211 -0.244 -0.150 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.029 0.679 1.056 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.517 -1.660 0.340 1.00 0.00 C ATOM 0 H LEU A 60 2.632 -0.597 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 60 4.089 1.726 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.078 0.039 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.722 -1.272 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 60 6.035 0.118 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.944 0.689 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.808 1.689 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.204 0.317 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.432 -1.650 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.691 -2.019 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.647 -2.321 -0.517 1.00 0.00 H new ATOM 998 N TYR A 61 5.616 1.274 -3.896 1.00 0.00 N ATOM 999 CA TYR A 61 6.834 1.097 -4.707 1.00 0.00 C ATOM 1000 C TYR A 61 8.055 1.445 -3.857 1.00 0.00 C ATOM 1001 O TYR A 61 8.259 2.576 -3.470 1.00 0.00 O ATOM 1002 CB TYR A 61 6.627 2.057 -5.868 1.00 0.00 C ATOM 1003 CG TYR A 61 7.937 2.306 -6.582 1.00 0.00 C ATOM 1004 CD1 TYR A 61 8.972 1.364 -6.505 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.115 3.479 -7.325 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.182 1.597 -7.168 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.325 3.712 -7.988 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.359 2.771 -7.910 1.00 0.00 C ATOM 1009 OH TYR A 61 11.552 3.003 -8.563 1.00 0.00 O ATOM 0 H TYR A 61 5.050 2.088 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 61 7.004 0.081 -5.063 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.898 1.644 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.220 2.999 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.836 0.458 -5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.318 4.205 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.979 0.871 -7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.461 4.618 -8.560 1.00 0.00 H new ATOM 0 HH TYR A 61 11.387 3.091 -9.525 1.00 0.00 H new ATOM 1019 N VAL A 62 8.845 0.458 -3.536 1.00 0.00 N ATOM 1020 CA VAL A 62 10.042 0.681 -2.683 1.00 0.00 C ATOM 1021 C VAL A 62 11.010 -0.476 -2.878 1.00 0.00 C ATOM 1022 O VAL A 62 10.887 -1.254 -3.805 1.00 0.00 O ATOM 1023 CB VAL A 62 9.520 0.655 -1.247 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.393 1.671 -1.068 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.992 -0.743 -0.934 1.00 0.00 C ATOM 0 H VAL A 62 8.708 -0.508 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 62 10.555 1.613 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 62 10.334 0.911 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.034 1.638 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.766 2.671 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.574 1.430 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.618 -0.770 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.184 -0.989 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.797 -1.469 -1.045 1.00 0.00 H new ATOM 1035 N TYR A 63 11.947 -0.623 -1.994 1.00 0.00 N ATOM 1036 CA TYR A 63 12.890 -1.763 -2.113 1.00 0.00 C ATOM 1037 C TYR A 63 13.148 -2.362 -0.737 1.00 0.00 C ATOM 1038 O TYR A 63 13.502 -1.671 0.198 1.00 0.00 O ATOM 1039 CB TYR A 63 14.180 -1.196 -2.698 1.00 0.00 C ATOM 1040 CG TYR A 63 15.157 -2.328 -2.943 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.705 -3.656 -3.037 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.520 -2.048 -3.083 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.615 -4.692 -3.270 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.430 -3.086 -3.318 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.978 -4.407 -3.412 1.00 0.00 C ATOM 1046 OH TYR A 63 17.876 -5.430 -3.642 1.00 0.00 O ATOM 0 H TYR A 63 12.102 -0.007 -1.196 1.00 0.00 H new ATOM 0 HA TYR A 63 12.488 -2.553 -2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 63 13.971 -0.672 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.614 -0.467 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.653 -3.876 -2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 63 16.871 -1.029 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.266 -5.712 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.482 -2.867 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 63 18.781 -5.061 -3.717 1.00 0.00 H new ATOM 1056 N ALA A 64 12.962 -3.639 -0.603 1.00 0.00 N ATOM 1057 CA ALA A 64 13.187 -4.290 0.711 1.00 0.00 C ATOM 1058 C ALA A 64 14.229 -5.404 0.569 1.00 0.00 C ATOM 1059 O ALA A 64 15.285 -5.203 0.002 1.00 0.00 O ATOM 1060 CB ALA A 64 11.824 -4.860 1.081 1.00 0.00 C ATOM 0 H ALA A 64 12.662 -4.264 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 64 13.565 -3.606 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.890 -5.364 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.096 -4.051 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.509 -5.573 0.319 1.00 0.00 H new ATOM 1066 N SER A 65 13.942 -6.577 1.066 1.00 0.00 N ATOM 1067 CA SER A 65 14.914 -7.699 0.940 1.00 0.00 C ATOM 1068 C SER A 65 14.491 -8.608 -0.219 1.00 0.00 C ATOM 1069 O SER A 65 15.273 -9.380 -0.737 1.00 0.00 O ATOM 1070 CB SER A 65 14.838 -8.445 2.271 1.00 0.00 C ATOM 1071 OG SER A 65 14.694 -9.837 2.025 1.00 0.00 O ATOM 0 H SER A 65 13.076 -6.806 1.554 1.00 0.00 H new ATOM 0 HA SER A 65 15.929 -7.358 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.739 -8.259 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.995 -8.079 2.858 1.00 0.00 H new ATOM 0 HG SER A 65 15.466 -10.316 2.393 1.00 0.00 H new ATOM 1077 N ASP A 66 13.255 -8.511 -0.628 1.00 0.00 N ATOM 1078 CA ASP A 66 12.759 -9.353 -1.755 1.00 0.00 C ATOM 1079 C ASP A 66 11.637 -8.615 -2.492 1.00 0.00 C ATOM 1080 O ASP A 66 10.655 -9.201 -2.902 1.00 0.00 O ATOM 1081 CB ASP A 66 12.225 -10.626 -1.098 1.00 0.00 C ATOM 1082 CG ASP A 66 11.566 -11.511 -2.158 1.00 0.00 C ATOM 1083 OD1 ASP A 66 12.270 -11.957 -3.049 1.00 0.00 O ATOM 1084 OD2 ASP A 66 10.369 -11.727 -2.061 1.00 0.00 O ATOM 0 H ASP A 66 12.562 -7.879 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 66 13.537 -9.575 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.038 -11.166 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.503 -10.372 -0.322 1.00 0.00 H new ATOM 1089 N LYS A 67 11.780 -7.328 -2.649 1.00 0.00 N ATOM 1090 CA LYS A 67 10.731 -6.528 -3.346 1.00 0.00 C ATOM 1091 C LYS A 67 11.380 -5.327 -4.039 1.00 0.00 C ATOM 1092 O LYS A 67 11.483 -4.251 -3.483 1.00 0.00 O ATOM 1093 CB LYS A 67 9.790 -6.086 -2.228 1.00 0.00 C ATOM 1094 CG LYS A 67 9.110 -4.759 -2.582 1.00 0.00 C ATOM 1095 CD LYS A 67 9.696 -3.648 -1.713 1.00 0.00 C ATOM 1096 CE LYS A 67 8.878 -3.512 -0.424 1.00 0.00 C ATOM 1097 NZ LYS A 67 8.723 -4.898 0.103 1.00 0.00 N ATOM 0 H LYS A 67 12.584 -6.792 -2.322 1.00 0.00 H new ATOM 0 HA LYS A 67 10.202 -7.085 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.034 -6.853 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.348 -5.977 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.260 -4.530 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.034 -4.833 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.736 -3.871 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.690 -2.705 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.387 -2.873 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.907 -3.058 -0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.453 -4.860 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.984 -5.394 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.624 -5.409 0.006 1.00 0.00 H new ATOM 1111 N LEU A 68 11.803 -5.509 -5.249 1.00 0.00 N ATOM 1112 CA LEU A 68 12.438 -4.391 -6.007 1.00 0.00 C ATOM 1113 C LEU A 68 11.378 -3.659 -6.822 1.00 0.00 C ATOM 1114 O LEU A 68 11.451 -3.598 -8.032 1.00 0.00 O ATOM 1115 CB LEU A 68 13.445 -5.062 -6.942 1.00 0.00 C ATOM 1116 CG LEU A 68 14.837 -5.030 -6.309 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.812 -5.825 -7.179 1.00 0.00 C ATOM 1118 CD2 LEU A 68 15.315 -3.581 -6.201 1.00 0.00 C ATOM 0 H LEU A 68 11.739 -6.391 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 68 12.914 -3.663 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.146 -6.092 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.460 -4.549 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 68 14.794 -5.473 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.804 -5.802 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.472 -6.858 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.856 -5.382 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.307 -3.558 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.358 -3.137 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.621 -3.014 -5.580 1.00 0.00 H new ATOM 1130 N PHE A 69 10.385 -3.110 -6.176 1.00 0.00 N ATOM 1131 CA PHE A 69 9.322 -2.394 -6.930 1.00 0.00 C ATOM 1132 C PHE A 69 8.160 -2.049 -5.991 1.00 0.00 C ATOM 1133 O PHE A 69 8.357 -1.374 -5.010 1.00 0.00 O ATOM 1134 CB PHE A 69 8.894 -3.347 -8.051 1.00 0.00 C ATOM 1135 CG PHE A 69 8.923 -4.784 -7.569 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.294 -5.146 -6.369 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.590 -5.755 -8.327 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.333 -6.476 -5.932 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.629 -7.085 -7.888 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.000 -7.444 -6.691 1.00 0.00 C ATOM 0 H PHE A 69 10.266 -3.127 -5.163 1.00 0.00 H new ATOM 0 HA PHE A 69 9.669 -1.449 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.890 -3.091 -8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.558 -3.231 -8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.780 -4.399 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.075 -5.478 -9.251 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.848 -6.755 -5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.144 -7.832 -8.473 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.029 -8.469 -6.352 1.00 0.00 H new ATOM 1150 N ARG A 70 6.954 -2.476 -6.265 1.00 0.00 N ATOM 1151 CA ARG A 70 5.838 -2.102 -5.349 1.00 0.00 C ATOM 1152 C ARG A 70 5.106 -3.303 -4.774 1.00 0.00 C ATOM 1153 O ARG A 70 4.907 -4.312 -5.421 1.00 0.00 O ATOM 1154 CB ARG A 70 4.857 -1.316 -6.215 1.00 0.00 C ATOM 1155 CG ARG A 70 3.555 -1.066 -5.426 1.00 0.00 C ATOM 1156 CD ARG A 70 2.433 -1.925 -6.017 1.00 0.00 C ATOM 1157 NE ARG A 70 2.479 -1.663 -7.483 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.011 -0.543 -7.960 1.00 0.00 C ATOM 1159 NH1 ARG A 70 0.725 -0.385 -8.112 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.830 0.420 -8.286 1.00 0.00 N ATOM 0 H ARG A 70 6.698 -3.055 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 70 6.236 -1.546 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.301 -0.366 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.640 -1.869 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.701 -1.311 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.284 -0.011 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.589 -2.982 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.465 -1.653 -5.597 1.00 0.00 H new ATOM 0 HE ARG A 70 2.876 -2.359 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.085 -1.138 -7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.359 0.491 -8.485 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.836 0.296 -8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.464 1.296 -8.659 1.00 0.00 H new ATOM 1174 N ALA A 71 4.629 -3.142 -3.578 1.00 0.00 N ATOM 1175 CA ALA A 71 3.814 -4.196 -2.943 1.00 0.00 C ATOM 1176 C ALA A 71 2.367 -3.729 -3.069 1.00 0.00 C ATOM 1177 O ALA A 71 1.912 -2.890 -2.317 1.00 0.00 O ATOM 1178 CB ALA A 71 4.259 -4.241 -1.480 1.00 0.00 C ATOM 0 H ALA A 71 4.774 -2.309 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 71 3.919 -5.186 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.691 -5.006 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.322 -4.479 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.082 -3.271 -1.016 1.00 0.00 H new ATOM 1184 N ASP A 72 1.654 -4.213 -4.044 1.00 0.00 N ATOM 1185 CA ASP A 72 0.259 -3.736 -4.230 1.00 0.00 C ATOM 1186 C ASP A 72 -0.619 -4.224 -3.085 1.00 0.00 C ATOM 1187 O ASP A 72 -0.354 -5.240 -2.482 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.199 -4.337 -5.557 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.591 -3.214 -6.518 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -1.599 -2.573 -6.269 1.00 0.00 O ATOM 1191 OD2 ASP A 72 0.123 -3.013 -7.486 1.00 0.00 O ATOM 0 H ASP A 72 1.973 -4.912 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 72 0.193 -2.648 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.600 -4.939 -5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.047 -5.003 -5.394 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.654 -3.497 -2.782 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.562 -3.897 -1.673 1.00 0.00 C ATOM 1198 C ILE A 73 -3.942 -3.278 -1.904 1.00 0.00 C ATOM 1199 O ILE A 73 -4.069 -2.086 -2.098 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.904 -3.324 -0.408 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -1.038 -4.395 0.260 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.971 -2.860 0.594 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -1.935 -5.512 0.798 1.00 0.00 C ATOM 0 H ILE A 73 -1.913 -2.634 -3.259 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.703 -4.975 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.289 -2.473 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.324 -4.800 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.459 -3.956 1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.485 -2.458 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.588 -2.087 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.598 -3.706 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.320 -6.275 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.631 -5.100 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.494 -5.958 -0.025 1.00 0.00 H new ATOM 1215 N SER A 74 -4.971 -4.068 -1.874 1.00 0.00 N ATOM 1216 CA SER A 74 -6.332 -3.507 -2.078 1.00 0.00 C ATOM 1217 C SER A 74 -7.254 -4.000 -0.959 1.00 0.00 C ATOM 1218 O SER A 74 -7.006 -5.028 -0.360 1.00 0.00 O ATOM 1219 CB SER A 74 -6.788 -4.050 -3.432 1.00 0.00 C ATOM 1220 OG SER A 74 -8.130 -3.650 -3.669 1.00 0.00 O ATOM 0 H SER A 74 -4.932 -5.075 -1.718 1.00 0.00 H new ATOM 0 HA SER A 74 -6.348 -2.417 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.139 -3.676 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.713 -5.137 -3.445 1.00 0.00 H new ATOM 0 HG SER A 74 -8.484 -4.134 -4.444 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.307 -3.288 -0.652 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.199 -3.766 0.447 1.00 0.00 C ATOM 1228 C GLU A 75 -10.624 -3.215 0.326 1.00 0.00 C ATOM 1229 O GLU A 75 -10.856 -2.025 0.418 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.543 -3.257 1.731 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.482 -4.259 2.194 1.00 0.00 C ATOM 1232 CD GLU A 75 -6.091 -3.722 1.854 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -5.961 -2.518 1.707 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -5.178 -4.524 1.745 1.00 0.00 O ATOM 0 H GLU A 75 -8.584 -2.416 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.302 -4.851 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.087 -2.282 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.296 -3.123 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.567 -4.425 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.640 -5.222 1.709 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.576 -4.093 0.138 1.00 0.00 N ATOM 1242 CA ASP A 76 -13.009 -3.670 0.033 1.00 0.00 C ATOM 1243 C ASP A 76 -13.347 -2.555 1.039 1.00 0.00 C ATOM 1244 O ASP A 76 -12.579 -2.253 1.932 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.788 -4.930 0.401 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.424 -5.359 1.824 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -13.739 -4.620 2.743 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -12.836 -6.417 1.970 1.00 0.00 O ATOM 0 H ASP A 76 -11.421 -5.097 0.052 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.242 -3.277 -0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.859 -4.742 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.558 -5.731 -0.302 1.00 0.00 H new ATOM 1253 N TYR A 77 -14.511 -1.958 0.912 1.00 0.00 N ATOM 1254 CA TYR A 77 -14.913 -0.881 1.871 1.00 0.00 C ATOM 1255 C TYR A 77 -16.437 -0.879 2.055 1.00 0.00 C ATOM 1256 O TYR A 77 -16.943 -1.098 3.138 1.00 0.00 O ATOM 1257 CB TYR A 77 -14.451 0.428 1.228 1.00 0.00 C ATOM 1258 CG TYR A 77 -13.873 1.339 2.286 1.00 0.00 C ATOM 1259 CD1 TYR A 77 -14.286 1.220 3.619 1.00 0.00 C ATOM 1260 CD2 TYR A 77 -12.920 2.303 1.933 1.00 0.00 C ATOM 1261 CE1 TYR A 77 -13.745 2.063 4.597 1.00 0.00 C ATOM 1262 CE2 TYR A 77 -12.379 3.145 2.912 1.00 0.00 C ATOM 1263 CZ TYR A 77 -12.792 3.025 4.244 1.00 0.00 C ATOM 1264 OH TYR A 77 -12.259 3.856 5.209 1.00 0.00 O ATOM 0 H TYR A 77 -15.197 -2.170 0.187 1.00 0.00 H new ATOM 0 HA TYR A 77 -14.471 -1.025 2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -13.703 0.224 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -15.290 0.917 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -15.022 0.478 3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.602 2.397 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -14.063 1.971 5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.643 3.887 2.639 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.611 4.464 4.795 1.00 0.00 H new ATOM 1274 N LYS A 78 -17.170 -0.648 0.998 1.00 0.00 N ATOM 1275 CA LYS A 78 -18.660 -0.648 1.091 1.00 0.00 C ATOM 1276 C LYS A 78 -19.213 -1.608 0.047 1.00 0.00 C ATOM 1277 O LYS A 78 -20.144 -2.349 0.291 1.00 0.00 O ATOM 1278 CB LYS A 78 -19.094 0.783 0.782 1.00 0.00 C ATOM 1279 CG LYS A 78 -20.460 1.051 1.416 1.00 0.00 C ATOM 1280 CD LYS A 78 -21.549 0.356 0.595 1.00 0.00 C ATOM 1281 CE LYS A 78 -22.702 1.330 0.348 1.00 0.00 C ATOM 1282 NZ LYS A 78 -23.103 1.804 1.702 1.00 0.00 N ATOM 0 H LYS A 78 -16.798 -0.458 0.068 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.021 -0.964 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -18.358 1.489 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.146 0.934 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.474 0.685 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -20.650 2.124 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -21.139 0.012 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.911 -0.526 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.388 2.161 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.532 0.839 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.136 1.919 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.807 1.108 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -22.646 2.717 1.899 1.00 0.00 H new ATOM 1296 N THR A 79 -18.611 -1.622 -1.110 1.00 0.00 N ATOM 1297 CA THR A 79 -19.053 -2.558 -2.175 1.00 0.00 C ATOM 1298 C THR A 79 -18.253 -3.853 -2.038 1.00 0.00 C ATOM 1299 O THR A 79 -17.977 -4.535 -3.002 1.00 0.00 O ATOM 1300 CB THR A 79 -18.728 -1.852 -3.495 1.00 0.00 C ATOM 1301 OG1 THR A 79 -17.362 -1.454 -3.501 1.00 0.00 O ATOM 1302 CG2 THR A 79 -19.621 -0.619 -3.647 1.00 0.00 C ATOM 0 H THR A 79 -17.827 -1.020 -1.363 1.00 0.00 H new ATOM 0 HA THR A 79 -20.112 -2.808 -2.119 1.00 0.00 H new ATOM 0 HB THR A 79 -18.908 -2.536 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 79 -16.899 -1.886 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 79 -19.390 -0.116 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 79 -20.667 -0.925 -3.647 1.00 0.00 H new ATOM 0 HG23 THR A 79 -19.443 0.064 -2.816 1.00 0.00 H new ATOM 1310 N ARG A 80 -17.869 -4.170 -0.827 1.00 0.00 N ATOM 1311 CA ARG A 80 -17.071 -5.397 -0.550 1.00 0.00 C ATOM 1312 C ARG A 80 -16.011 -5.632 -1.629 1.00 0.00 C ATOM 1313 O ARG A 80 -15.960 -6.674 -2.251 1.00 0.00 O ATOM 1314 CB ARG A 80 -18.083 -6.551 -0.475 1.00 0.00 C ATOM 1315 CG ARG A 80 -18.586 -6.940 -1.871 1.00 0.00 C ATOM 1316 CD ARG A 80 -20.019 -6.437 -2.054 1.00 0.00 C ATOM 1317 NE ARG A 80 -20.760 -6.951 -0.869 1.00 0.00 N ATOM 1318 CZ ARG A 80 -21.208 -8.177 -0.860 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -20.411 -9.162 -0.547 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -22.455 -8.418 -1.164 1.00 0.00 N ATOM 0 H ARG A 80 -18.083 -3.613 0.000 1.00 0.00 H new ATOM 0 HA ARG A 80 -16.515 -5.307 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.619 -7.415 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -18.927 -6.258 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -17.938 -6.511 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.551 -8.022 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -20.053 -5.348 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -20.452 -6.808 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 80 -20.918 -6.345 -0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.437 -8.974 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.762 -10.120 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -23.078 -7.648 -1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -22.806 -9.376 -1.157 1.00 0.00 H new ATOM 1334 N GLY A 81 -15.140 -4.677 -1.827 1.00 0.00 N ATOM 1335 CA GLY A 81 -14.054 -4.843 -2.833 1.00 0.00 C ATOM 1336 C GLY A 81 -13.297 -6.144 -2.546 1.00 0.00 C ATOM 1337 O GLY A 81 -13.801 -7.224 -2.776 1.00 0.00 O ATOM 0 H GLY A 81 -15.136 -3.785 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.474 -4.867 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.371 -3.994 -2.792 1.00 0.00 H new ATOM 1341 N ARG A 82 -12.085 -6.067 -2.053 1.00 0.00 N ATOM 1342 CA ARG A 82 -11.347 -7.331 -1.775 1.00 0.00 C ATOM 1343 C ARG A 82 -10.016 -7.076 -1.066 1.00 0.00 C ATOM 1344 O ARG A 82 -9.416 -6.030 -1.202 1.00 0.00 O ATOM 1345 CB ARG A 82 -11.089 -7.914 -3.149 1.00 0.00 C ATOM 1346 CG ARG A 82 -12.018 -9.105 -3.385 1.00 0.00 C ATOM 1347 CD ARG A 82 -11.232 -10.408 -3.226 1.00 0.00 C ATOM 1348 NE ARG A 82 -12.255 -11.435 -2.883 1.00 0.00 N ATOM 1349 CZ ARG A 82 -12.049 -12.256 -1.889 1.00 0.00 C ATOM 1350 NH1 ARG A 82 -10.831 -12.516 -1.500 1.00 0.00 N ATOM 1351 NH2 ARG A 82 -13.061 -12.815 -1.284 1.00 0.00 N ATOM 0 H ARG A 82 -11.587 -5.204 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.916 -7.989 -1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -11.253 -7.155 -3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -10.049 -8.230 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.846 -9.079 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.451 -9.049 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.706 -10.666 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.480 -10.322 -2.442 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.117 -11.497 -3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.040 -12.078 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.670 -13.157 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.013 -12.611 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.900 -13.456 -0.507 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.529 -8.056 -0.352 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.211 -7.913 0.329 1.00 0.00 C ATOM 1367 C LYS A 83 -7.165 -8.689 -0.480 1.00 0.00 C ATOM 1368 O LYS A 83 -7.349 -9.852 -0.783 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.402 -8.536 1.713 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.248 -7.603 2.580 1.00 0.00 C ATOM 1371 CD LYS A 83 -8.465 -7.222 3.838 1.00 0.00 C ATOM 1372 CE LYS A 83 -9.127 -7.856 5.063 1.00 0.00 C ATOM 1373 NZ LYS A 83 -8.119 -7.728 6.153 1.00 0.00 N ATOM 0 H LYS A 83 -9.991 -8.954 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.876 -6.879 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.889 -9.507 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.434 -8.708 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.511 -6.707 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.182 -8.093 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.433 -7.561 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.437 -6.138 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.054 -7.344 5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.380 -8.900 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.500 -8.141 7.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.250 -8.231 5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.903 -6.723 6.310 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.086 -8.062 -0.856 1.00 0.00 N ATOM 1388 CA LEU A 84 -5.064 -8.780 -1.669 1.00 0.00 C ATOM 1389 C LEU A 84 -3.808 -7.921 -1.800 1.00 0.00 C ATOM 1390 O LEU A 84 -3.745 -6.819 -1.294 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.733 -8.972 -3.034 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.955 -9.992 -3.871 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -4.583 -11.200 -3.008 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -5.829 -10.458 -5.038 1.00 0.00 C ATOM 0 H LEU A 84 -5.868 -7.090 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.755 -9.726 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.760 -9.311 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.779 -8.019 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.045 -9.526 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.030 -11.921 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.963 -10.874 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.490 -11.667 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.279 -11.184 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.737 -10.920 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.094 -9.602 -5.659 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.806 -8.408 -2.477 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.569 -7.599 -2.631 1.00 0.00 C ATOM 1408 C LEU A 85 -0.627 -8.248 -3.658 1.00 0.00 C ATOM 1409 O LEU A 85 -0.808 -9.382 -4.054 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.964 -7.561 -1.215 1.00 0.00 C ATOM 1411 CG LEU A 85 0.343 -8.356 -1.146 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.056 -8.036 0.168 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.029 -9.854 -1.209 1.00 0.00 C ATOM 0 H LEU A 85 -2.791 -9.324 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.754 -6.594 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.779 -6.527 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.679 -7.970 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 85 0.985 -8.086 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.988 -8.599 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.274 -6.969 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.416 -8.311 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.958 -10.423 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.609 -10.128 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.485 -10.079 -2.143 1.00 0.00 H new ATOM 1425 N ARG A 86 0.380 -7.532 -4.086 1.00 0.00 N ATOM 1426 CA ARG A 86 1.335 -8.102 -5.080 1.00 0.00 C ATOM 1427 C ARG A 86 2.756 -7.617 -4.783 1.00 0.00 C ATOM 1428 O ARG A 86 3.003 -6.955 -3.795 1.00 0.00 O ATOM 1429 CB ARG A 86 0.868 -7.581 -6.443 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.661 -7.609 -6.514 1.00 0.00 C ATOM 1431 CD ARG A 86 -1.105 -7.721 -7.975 1.00 0.00 C ATOM 1432 NE ARG A 86 -2.237 -8.688 -7.958 1.00 0.00 N ATOM 1433 CZ ARG A 86 -3.034 -8.777 -8.987 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -2.696 -8.234 -10.125 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -4.171 -9.409 -8.878 1.00 0.00 N ATOM 0 H ARG A 86 0.582 -6.577 -3.790 1.00 0.00 H new ATOM 0 HA ARG A 86 1.352 -9.191 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.230 -6.564 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.289 -8.193 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.046 -8.452 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.073 -6.704 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.418 -6.754 -8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.292 -8.075 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.389 -9.281 -7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.808 -7.740 -10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.320 -8.304 -10.929 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.436 -9.833 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.795 -9.479 -9.682 1.00 0.00 H new ATOM 1449 N PHE A 87 3.693 -7.948 -5.629 1.00 0.00 N ATOM 1450 CA PHE A 87 5.108 -7.519 -5.409 1.00 0.00 C ATOM 1451 C PHE A 87 5.840 -7.472 -6.750 1.00 0.00 C ATOM 1452 O PHE A 87 6.524 -8.408 -7.116 1.00 0.00 O ATOM 1453 CB PHE A 87 5.724 -8.598 -4.511 1.00 0.00 C ATOM 1454 CG PHE A 87 4.762 -8.953 -3.405 1.00 0.00 C ATOM 1455 CD1 PHE A 87 3.801 -9.952 -3.609 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.821 -8.278 -2.178 1.00 0.00 C ATOM 1457 CE1 PHE A 87 2.900 -10.275 -2.589 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.919 -8.605 -1.159 1.00 0.00 C ATOM 1459 CZ PHE A 87 2.961 -9.600 -1.365 1.00 0.00 C ATOM 0 H PHE A 87 3.539 -8.502 -6.471 1.00 0.00 H new ATOM 0 HA PHE A 87 5.176 -6.530 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.958 -9.485 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.663 -8.240 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.756 -10.473 -4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.561 -7.507 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.158 -11.044 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.964 -8.087 -0.212 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.265 -9.849 -0.577 1.00 0.00 H new ATOM 1469 N ASN A 88 5.722 -6.400 -7.492 1.00 0.00 N ATOM 1470 CA ASN A 88 6.445 -6.353 -8.796 1.00 0.00 C ATOM 1471 C ASN A 88 6.428 -4.956 -9.392 1.00 0.00 C ATOM 1472 O ASN A 88 6.173 -3.979 -8.721 1.00 0.00 O ATOM 1473 CB ASN A 88 5.757 -7.328 -9.755 1.00 0.00 C ATOM 1474 CG ASN A 88 4.413 -7.810 -9.192 1.00 0.00 C ATOM 1475 OD1 ASN A 88 3.476 -7.046 -9.086 1.00 0.00 O ATOM 1476 ND2 ASN A 88 4.283 -9.056 -8.824 1.00 0.00 N ATOM 0 H ASN A 88 5.170 -5.575 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 88 7.487 -6.630 -8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.597 -6.842 -10.718 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.407 -8.185 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.394 -9.387 -8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.070 -9.699 -8.913 1.00 0.00 H new ATOM 1483 N GLY A 89 6.739 -4.865 -10.654 1.00 0.00 N ATOM 1484 CA GLY A 89 6.809 -3.540 -11.312 1.00 0.00 C ATOM 1485 C GLY A 89 8.225 -3.034 -11.068 1.00 0.00 C ATOM 1486 O GLY A 89 8.426 -1.976 -10.505 1.00 0.00 O ATOM 0 H GLY A 89 6.948 -5.659 -11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.600 -3.621 -12.379 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.071 -2.856 -10.894 1.00 0.00 H new ATOM 1490 N PRO A 90 9.168 -3.855 -11.460 1.00 0.00 N ATOM 1491 CA PRO A 90 10.598 -3.544 -11.241 1.00 0.00 C ATOM 1492 C PRO A 90 11.020 -2.286 -12.001 1.00 0.00 C ATOM 1493 O PRO A 90 10.555 -2.016 -13.091 1.00 0.00 O ATOM 1494 CB PRO A 90 11.322 -4.784 -11.765 1.00 0.00 C ATOM 1495 CG PRO A 90 10.362 -5.391 -12.731 1.00 0.00 C ATOM 1496 CD PRO A 90 8.997 -5.135 -12.158 1.00 0.00 C ATOM 0 HA PRO A 90 10.827 -3.334 -10.196 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.262 -4.520 -12.251 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.563 -5.475 -10.957 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.463 -4.942 -13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.545 -6.459 -12.846 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.237 -5.072 -12.937 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.690 -5.929 -11.477 1.00 0.00 H new ATOM 1504 N VAL A 91 11.902 -1.515 -11.427 1.00 0.00 N ATOM 1505 CA VAL A 91 12.366 -0.274 -12.093 1.00 0.00 C ATOM 1506 C VAL A 91 13.227 -0.616 -13.313 1.00 0.00 C ATOM 1507 O VAL A 91 13.824 -1.679 -13.314 1.00 0.00 O ATOM 1508 CB VAL A 91 13.200 0.423 -11.023 1.00 0.00 C ATOM 1509 CG1 VAL A 91 12.417 0.462 -9.709 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.506 -0.347 -10.812 1.00 0.00 C ATOM 0 H VAL A 91 12.323 -1.697 -10.516 1.00 0.00 H new ATOM 0 HA VAL A 91 11.547 0.346 -12.457 1.00 0.00 H new ATOM 0 HB VAL A 91 13.424 1.440 -11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.013 0.960 -8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.486 1.009 -9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.193 -0.555 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.102 0.151 -10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.281 -1.364 -10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.066 -0.377 -11.747 1.00 0.00 H new TER 1520 VAL A 91