USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 633 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 Single : A 1 ALA N :NH3+ 146:sc= 0.00276 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 30:sc= 0.524 USER MOD Single : A 9 THR OG1 : rot -2:sc= 0.651 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= -0.0419 (180deg=-0.31) USER MOD Single : A 14 CYS SG : rot 53:sc= -0.252 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= -0.0325 (180deg=-0.342) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.5) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.0966 (180deg=-0.466) USER MOD Single : A 31 ASN : amide:sc=-0.00777 X(o=-0.0078,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0714 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.434 K(o=-0.43,f=-1.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.839 X(o=-0.84,f=-0.98) USER MOD Single : A 62 MET CE :methyl 131:sc= -0.131 (180deg=-0.752) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 141:sc= -1.53 (180deg=-3.91!) USER MOD Single : A 67 MET CE :methyl -159:sc= -0.175 (180deg=-0.726) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.658 -0.610 -18.618 1.00 0.00 N ATOM 2 CA ALA A 1 12.877 -0.802 -17.369 1.00 0.00 C ATOM 3 C ALA A 1 13.664 -1.619 -16.351 1.00 0.00 C ATOM 4 O ALA A 1 14.287 -2.624 -16.695 1.00 0.00 O ATOM 5 CB ALA A 1 11.549 -1.480 -17.677 1.00 0.00 C ATOM 0 H1 ALA A 1 13.012 -0.600 -19.433 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.171 0.294 -18.571 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.339 -1.389 -18.725 1.00 0.00 H new ATOM 0 HA ALA A 1 12.681 0.179 -16.937 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.986 -1.615 -16.753 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.974 -0.859 -18.364 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.734 -2.452 -18.134 1.00 0.00 H new ATOM 13 N ASN A 2 13.632 -1.180 -15.098 1.00 0.00 N ATOM 14 CA ASN A 2 14.344 -1.867 -14.026 1.00 0.00 C ATOM 15 C ASN A 2 13.395 -2.751 -13.224 1.00 0.00 C ATOM 16 O ASN A 2 12.200 -2.821 -13.517 1.00 0.00 O ATOM 17 CB ASN A 2 15.017 -0.848 -13.106 1.00 0.00 C ATOM 18 CG ASN A 2 15.975 0.059 -13.851 1.00 0.00 C ATOM 19 OD1 ASN A 2 15.590 1.124 -14.337 1.00 0.00 O ATOM 20 ND2 ASN A 2 17.231 -0.359 -13.950 1.00 0.00 N ATOM 0 H ASN A 2 13.120 -0.350 -14.799 1.00 0.00 H new ATOM 0 HA ASN A 2 15.108 -2.503 -14.474 1.00 0.00 H new ATOM 0 HB2 ASN A 2 14.253 -0.243 -12.618 1.00 0.00 H new ATOM 0 HB3 ASN A 2 15.557 -1.374 -12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 2 17.920 0.209 -14.443 1.00 0.00 H new ATOM 0 HD22 ASN A 2 17.507 -1.248 -13.533 1.00 0.00 H new ATOM 27 N TRP A 3 13.932 -3.423 -12.212 1.00 0.00 N ATOM 28 CA TRP A 3 13.128 -4.302 -11.369 1.00 0.00 C ATOM 29 C TRP A 3 12.151 -3.496 -10.523 1.00 0.00 C ATOM 30 O TRP A 3 11.177 -4.037 -9.997 1.00 0.00 O ATOM 31 CB TRP A 3 14.030 -5.148 -10.468 1.00 0.00 C ATOM 32 CG TRP A 3 14.948 -6.053 -11.232 1.00 0.00 C ATOM 33 CD1 TRP A 3 14.634 -7.261 -11.785 1.00 0.00 C ATOM 34 CD2 TRP A 3 16.330 -5.824 -11.525 1.00 0.00 C ATOM 35 NE1 TRP A 3 15.736 -7.797 -12.405 1.00 0.00 N ATOM 36 CE2 TRP A 3 16.791 -6.934 -12.259 1.00 0.00 C ATOM 37 CE3 TRP A 3 17.225 -4.788 -11.239 1.00 0.00 C ATOM 38 CZ2 TRP A 3 18.104 -7.036 -12.710 1.00 0.00 C ATOM 39 CZ3 TRP A 3 18.529 -4.891 -11.687 1.00 0.00 C ATOM 40 CH2 TRP A 3 18.957 -6.008 -12.416 1.00 0.00 C ATOM 0 H TRP A 3 14.918 -3.377 -11.955 1.00 0.00 H new ATOM 0 HA TRP A 3 12.556 -4.965 -12.018 1.00 0.00 H new ATOM 0 HB2 TRP A 3 14.624 -4.487 -9.837 1.00 0.00 H new ATOM 0 HB3 TRP A 3 13.408 -5.749 -9.804 1.00 0.00 H new ATOM 0 HD1 TRP A 3 13.661 -7.727 -11.741 1.00 0.00 H new ATOM 0 HE1 TRP A 3 15.765 -8.691 -12.894 1.00 0.00 H new ATOM 0 HE3 TRP A 3 16.903 -3.923 -10.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 18.437 -7.896 -13.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 19.229 -4.097 -11.471 1.00 0.00 H new ATOM 0 HH2 TRP A 3 19.982 -6.059 -12.753 1.00 0.00 H new ATOM 51 N ILE A 4 12.416 -2.200 -10.396 1.00 0.00 N ATOM 52 CA ILE A 4 11.558 -1.316 -9.616 1.00 0.00 C ATOM 53 C ILE A 4 10.514 -0.654 -10.511 1.00 0.00 C ATOM 54 O ILE A 4 9.886 0.336 -10.129 1.00 0.00 O ATOM 55 CB ILE A 4 12.385 -0.226 -8.898 1.00 0.00 C ATOM 56 CG1 ILE A 4 13.691 -0.815 -8.354 1.00 0.00 C ATOM 57 CG2 ILE A 4 11.576 0.405 -7.772 1.00 0.00 C ATOM 58 CD1 ILE A 4 13.491 -1.943 -7.360 1.00 0.00 C ATOM 0 H ILE A 4 13.219 -1.738 -10.824 1.00 0.00 H new ATOM 0 HA ILE A 4 11.055 -1.925 -8.865 1.00 0.00 H new ATOM 0 HB ILE A 4 12.631 0.551 -9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 4 14.288 -1.182 -9.189 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.265 -0.021 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.175 1.170 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.674 0.859 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.299 -0.362 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 4 14.461 -2.306 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 4 12.922 -1.578 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 4 12.946 -2.757 -7.838 1.00 0.00 H new ATOM 70 N HIS A 5 10.330 -1.211 -11.705 1.00 0.00 N ATOM 71 CA HIS A 5 9.362 -0.683 -12.663 1.00 0.00 C ATOM 72 C HIS A 5 9.696 0.756 -13.041 1.00 0.00 C ATOM 73 O HIS A 5 8.813 1.531 -13.413 1.00 0.00 O ATOM 74 CB HIS A 5 7.945 -0.759 -12.089 1.00 0.00 C ATOM 75 CG HIS A 5 7.501 -2.155 -11.775 1.00 0.00 C ATOM 76 ND1 HIS A 5 6.846 -2.958 -12.685 1.00 0.00 N ATOM 77 CD2 HIS A 5 7.622 -2.890 -10.645 1.00 0.00 C ATOM 78 CE1 HIS A 5 6.581 -4.127 -12.127 1.00 0.00 C ATOM 79 NE2 HIS A 5 7.041 -4.111 -10.890 1.00 0.00 N ATOM 0 H HIS A 5 10.840 -2.031 -12.033 1.00 0.00 H new ATOM 0 HA HIS A 5 9.413 -1.295 -13.563 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.897 -0.158 -11.181 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.249 -0.316 -12.801 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.088 -2.576 -9.723 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.074 -4.954 -12.602 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.976 -4.880 -10.224 1.00 0.00 H new ATOM 88 N ALA A 6 10.980 1.101 -12.951 1.00 0.00 N ATOM 89 CA ALA A 6 11.449 2.444 -13.279 1.00 0.00 C ATOM 90 C ALA A 6 10.854 3.483 -12.334 1.00 0.00 C ATOM 91 O ALA A 6 9.651 3.743 -12.357 1.00 0.00 O ATOM 92 CB ALA A 6 11.120 2.787 -14.726 1.00 0.00 C ATOM 0 H ALA A 6 11.717 0.463 -12.651 1.00 0.00 H new ATOM 0 HA ALA A 6 12.532 2.460 -13.155 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.477 3.792 -14.952 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.606 2.071 -15.389 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.041 2.744 -14.874 1.00 0.00 H new ATOM 98 N ARG A 7 11.707 4.077 -11.505 1.00 0.00 N ATOM 99 CA ARG A 7 11.267 5.087 -10.549 1.00 0.00 C ATOM 100 C ARG A 7 12.409 6.033 -10.190 1.00 0.00 C ATOM 101 O ARG A 7 13.550 5.605 -10.009 1.00 0.00 O ATOM 102 CB ARG A 7 10.722 4.420 -9.284 1.00 0.00 C ATOM 103 CG ARG A 7 10.211 5.405 -8.247 1.00 0.00 C ATOM 104 CD ARG A 7 9.712 4.694 -6.998 1.00 0.00 C ATOM 105 NE ARG A 7 8.626 3.765 -7.297 1.00 0.00 N ATOM 106 CZ ARG A 7 8.127 2.901 -6.418 1.00 0.00 C ATOM 107 NH1 ARG A 7 8.613 2.845 -5.185 1.00 0.00 N ATOM 108 NH2 ARG A 7 7.138 2.092 -6.772 1.00 0.00 N ATOM 0 H ARG A 7 12.707 3.876 -11.476 1.00 0.00 H new ATOM 0 HA ARG A 7 10.472 5.669 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.913 3.744 -9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.508 3.811 -8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.009 6.098 -7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.404 5.999 -8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.537 4.152 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.369 5.432 -6.273 1.00 0.00 H new ATOM 0 HE ARG A 7 8.227 3.780 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.373 3.466 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.227 2.181 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.760 2.132 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.755 1.429 -6.098 1.00 0.00 H new ATOM 122 N SER A 8 12.092 7.321 -10.089 1.00 0.00 N ATOM 123 CA SER A 8 13.088 8.332 -9.747 1.00 0.00 C ATOM 124 C SER A 8 12.559 9.263 -8.660 1.00 0.00 C ATOM 125 O SER A 8 11.576 9.975 -8.867 1.00 0.00 O ATOM 126 CB SER A 8 13.471 9.142 -10.987 1.00 0.00 C ATOM 127 OG SER A 8 12.342 9.799 -11.537 1.00 0.00 O ATOM 0 H SER A 8 11.153 7.689 -10.239 1.00 0.00 H new ATOM 0 HA SER A 8 13.974 7.823 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.231 9.878 -10.724 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.911 8.482 -11.734 1.00 0.00 H new ATOM 0 HG SER A 8 11.703 10.005 -10.823 1.00 0.00 H new ATOM 133 N THR A 9 13.219 9.244 -7.502 1.00 0.00 N ATOM 134 CA THR A 9 12.829 10.082 -6.366 1.00 0.00 C ATOM 135 C THR A 9 11.351 9.914 -6.023 1.00 0.00 C ATOM 136 O THR A 9 10.665 9.054 -6.577 1.00 0.00 O ATOM 137 CB THR A 9 13.124 11.573 -6.628 1.00 0.00 C ATOM 138 OG1 THR A 9 12.306 12.063 -7.697 1.00 0.00 O ATOM 139 CG2 THR A 9 14.591 11.782 -6.971 1.00 0.00 C ATOM 0 H THR A 9 14.032 8.654 -7.325 1.00 0.00 H new ATOM 0 HA THR A 9 13.429 9.748 -5.519 1.00 0.00 H new ATOM 0 HB THR A 9 12.894 12.126 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.757 11.332 -8.051 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.775 12.841 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.211 11.442 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.840 11.213 -7.866 1.00 0.00 H new ATOM 147 N ARG A 10 10.870 10.737 -5.097 1.00 0.00 N ATOM 148 CA ARG A 10 9.474 10.682 -4.675 1.00 0.00 C ATOM 149 C ARG A 10 9.053 12.004 -4.042 1.00 0.00 C ATOM 150 O ARG A 10 9.855 12.675 -3.392 1.00 0.00 O ATOM 151 CB ARG A 10 9.264 9.536 -3.682 1.00 0.00 C ATOM 152 CG ARG A 10 7.802 9.193 -3.444 1.00 0.00 C ATOM 153 CD ARG A 10 7.159 8.595 -4.687 1.00 0.00 C ATOM 154 NE ARG A 10 5.777 8.186 -4.448 1.00 0.00 N ATOM 155 CZ ARG A 10 5.034 7.541 -5.343 1.00 0.00 C ATOM 156 NH1 ARG A 10 5.539 7.229 -6.529 1.00 0.00 N ATOM 157 NH2 ARG A 10 3.785 7.206 -5.051 1.00 0.00 N ATOM 0 H ARG A 10 11.426 11.450 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 10 8.856 10.505 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.781 8.649 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.725 9.802 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.723 8.487 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.260 10.092 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.186 9.325 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.740 7.733 -5.016 1.00 0.00 H new ATOM 0 HE ARG A 10 5.359 8.407 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.500 7.484 -6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.966 6.734 -7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.393 7.443 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.216 6.711 -5.738 1.00 0.00 H new ATOM 171 N LYS A 11 7.791 12.374 -4.235 1.00 0.00 N ATOM 172 CA LYS A 11 7.268 13.618 -3.686 1.00 0.00 C ATOM 173 C LYS A 11 6.396 13.355 -2.463 1.00 0.00 C ATOM 174 O LYS A 11 6.250 12.213 -2.027 1.00 0.00 O ATOM 175 CB LYS A 11 6.464 14.369 -4.749 1.00 0.00 C ATOM 176 CG LYS A 11 7.271 14.707 -5.993 1.00 0.00 C ATOM 177 CD LYS A 11 6.420 15.412 -7.039 1.00 0.00 C ATOM 178 CE LYS A 11 5.326 14.504 -7.578 1.00 0.00 C ATOM 179 NZ LYS A 11 4.562 15.150 -8.680 1.00 0.00 N ATOM 0 H LYS A 11 7.112 11.830 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 11 8.114 14.232 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.604 13.765 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.076 15.291 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.113 15.343 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.687 13.793 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.971 16.304 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.054 15.745 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.769 13.576 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.644 14.238 -6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.826 14.499 -9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.118 16.022 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.208 15.381 -9.462 1.00 0.00 H new ATOM 193 N LYS A 12 5.824 14.424 -1.917 1.00 0.00 N ATOM 194 CA LYS A 12 4.961 14.329 -0.742 1.00 0.00 C ATOM 195 C LYS A 12 5.721 13.775 0.461 1.00 0.00 C ATOM 196 O LYS A 12 6.862 13.327 0.341 1.00 0.00 O ATOM 197 CB LYS A 12 3.744 13.446 -1.036 1.00 0.00 C ATOM 198 CG LYS A 12 2.913 13.914 -2.222 1.00 0.00 C ATOM 199 CD LYS A 12 2.335 15.301 -1.989 1.00 0.00 C ATOM 200 CE LYS A 12 1.412 15.714 -3.125 1.00 0.00 C ATOM 201 NZ LYS A 12 0.216 14.833 -3.217 1.00 0.00 N ATOM 0 H LYS A 12 5.943 15.373 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 12 4.622 15.337 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.084 12.427 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.109 13.413 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.532 13.923 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.103 13.207 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.785 15.315 -1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.145 16.024 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.092 16.745 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.959 15.683 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.509 15.292 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.486 13.925 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.166 14.666 -2.264 1.00 0.00 H new ATOM 215 N ARG A 13 5.077 13.817 1.623 1.00 0.00 N ATOM 216 CA ARG A 13 5.672 13.314 2.854 1.00 0.00 C ATOM 217 C ARG A 13 4.847 12.157 3.405 1.00 0.00 C ATOM 218 O ARG A 13 5.333 11.354 4.203 1.00 0.00 O ATOM 219 CB ARG A 13 5.770 14.430 3.896 1.00 0.00 C ATOM 220 CG ARG A 13 6.741 15.537 3.518 1.00 0.00 C ATOM 221 CD ARG A 13 6.710 16.671 4.529 1.00 0.00 C ATOM 222 NE ARG A 13 6.941 16.196 5.891 1.00 0.00 N ATOM 223 CZ ARG A 13 7.089 17.001 6.941 1.00 0.00 C ATOM 224 NH1 ARG A 13 7.033 18.317 6.785 1.00 0.00 N ATOM 225 NH2 ARG A 13 7.292 16.488 8.146 1.00 0.00 N ATOM 0 H ARG A 13 4.137 14.197 1.737 1.00 0.00 H new ATOM 0 HA ARG A 13 6.677 12.956 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.781 14.862 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.077 13.999 4.849 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.751 15.131 3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.490 15.922 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.468 17.409 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.745 17.175 4.479 1.00 0.00 H new ATOM 0 HE ARG A 13 6.992 15.189 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.876 18.715 5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.147 18.931 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.335 15.476 8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.405 17.105 8.950 1.00 0.00 H new ATOM 239 N CYS A 14 3.593 12.082 2.970 1.00 0.00 N ATOM 240 CA CYS A 14 2.688 11.026 3.406 1.00 0.00 C ATOM 241 C CYS A 14 1.653 10.722 2.322 1.00 0.00 C ATOM 242 O CYS A 14 0.466 11.009 2.484 1.00 0.00 O ATOM 243 CB CYS A 14 1.988 11.428 4.707 1.00 0.00 C ATOM 244 SG CYS A 14 1.109 13.006 4.617 1.00 0.00 S ATOM 0 H CYS A 14 3.180 12.744 2.313 1.00 0.00 H new ATOM 0 HA CYS A 14 3.274 10.125 3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.281 10.646 4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.730 11.483 5.504 1.00 0.00 H new ATOM 0 HG CYS A 14 0.297 12.993 3.602 1.00 0.00 H new ATOM 250 N PRO A 15 2.096 10.140 1.191 1.00 0.00 N ATOM 251 CA PRO A 15 1.219 9.799 0.079 1.00 0.00 C ATOM 252 C PRO A 15 0.670 8.386 0.181 1.00 0.00 C ATOM 253 O PRO A 15 0.445 7.717 -0.828 1.00 0.00 O ATOM 254 CB PRO A 15 2.151 9.919 -1.116 1.00 0.00 C ATOM 255 CG PRO A 15 3.518 9.595 -0.600 1.00 0.00 C ATOM 256 CD PRO A 15 3.490 9.767 0.902 1.00 0.00 C ATOM 0 HA PRO A 15 0.336 10.437 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.859 9.231 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.120 10.924 -1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.795 8.574 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.263 10.253 -1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.772 8.847 1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.186 10.540 1.228 1.00 0.00 H new ATOM 264 N TYR A 16 0.455 7.946 1.407 1.00 0.00 N ATOM 265 CA TYR A 16 -0.067 6.618 1.671 1.00 0.00 C ATOM 266 C TYR A 16 -1.369 6.380 0.925 1.00 0.00 C ATOM 267 O TYR A 16 -2.119 7.315 0.640 1.00 0.00 O ATOM 268 CB TYR A 16 -0.288 6.422 3.169 1.00 0.00 C ATOM 269 CG TYR A 16 -1.113 7.515 3.817 1.00 0.00 C ATOM 270 CD1 TYR A 16 -0.513 8.666 4.313 1.00 0.00 C ATOM 271 CD2 TYR A 16 -2.492 7.391 3.933 1.00 0.00 C ATOM 272 CE1 TYR A 16 -1.264 9.663 4.907 1.00 0.00 C ATOM 273 CE2 TYR A 16 -3.250 8.385 4.525 1.00 0.00 C ATOM 274 CZ TYR A 16 -2.632 9.518 5.010 1.00 0.00 C ATOM 275 OH TYR A 16 -3.383 10.508 5.601 1.00 0.00 O ATOM 0 H TYR A 16 0.637 8.497 2.246 1.00 0.00 H new ATOM 0 HA TYR A 16 0.669 5.896 1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.781 5.464 3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.681 6.369 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.558 8.784 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.980 6.505 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.782 10.551 5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.321 8.274 4.607 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.329 10.251 5.592 1.00 0.00 H new ATOM 285 N THR A 17 -1.625 5.121 0.612 1.00 0.00 N ATOM 286 CA THR A 17 -2.838 4.741 -0.103 1.00 0.00 C ATOM 287 C THR A 17 -3.883 4.181 0.855 1.00 0.00 C ATOM 288 O THR A 17 -3.582 3.881 2.010 1.00 0.00 O ATOM 289 CB THR A 17 -2.550 3.705 -1.210 1.00 0.00 C ATOM 290 OG1 THR A 17 -3.759 3.383 -1.905 1.00 0.00 O ATOM 291 CG2 THR A 17 -1.945 2.437 -0.630 1.00 0.00 C ATOM 0 H THR A 17 -1.009 4.341 0.841 1.00 0.00 H new ATOM 0 HA THR A 17 -3.225 5.646 -0.570 1.00 0.00 H new ATOM 0 HB THR A 17 -1.833 4.144 -1.904 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.568 2.726 -2.607 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.753 1.725 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.009 2.678 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.639 1.997 0.086 1.00 0.00 H new ATOM 299 N LYS A 18 -5.112 4.044 0.369 1.00 0.00 N ATOM 300 CA LYS A 18 -6.202 3.522 1.183 1.00 0.00 C ATOM 301 C LYS A 18 -5.960 2.059 1.536 1.00 0.00 C ATOM 302 O LYS A 18 -6.412 1.579 2.575 1.00 0.00 O ATOM 303 CB LYS A 18 -7.538 3.668 0.449 1.00 0.00 C ATOM 304 CG LYS A 18 -8.012 5.108 0.315 1.00 0.00 C ATOM 305 CD LYS A 18 -7.210 5.871 -0.727 1.00 0.00 C ATOM 306 CE LYS A 18 -7.670 7.315 -0.836 1.00 0.00 C ATOM 307 NZ LYS A 18 -7.555 8.035 0.462 1.00 0.00 N ATOM 0 H LYS A 18 -5.378 4.288 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.241 4.101 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.445 3.232 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.298 3.093 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.067 5.120 0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.927 5.610 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.152 5.844 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.311 5.382 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.075 7.829 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.706 7.341 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.648 9.058 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.309 7.716 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.628 7.834 0.889 1.00 0.00 H new ATOM 321 N TYR A 19 -5.244 1.357 0.664 1.00 0.00 N ATOM 322 CA TYR A 19 -4.939 -0.052 0.879 1.00 0.00 C ATOM 323 C TYR A 19 -3.989 -0.228 2.057 1.00 0.00 C ATOM 324 O TYR A 19 -4.185 -1.102 2.903 1.00 0.00 O ATOM 325 CB TYR A 19 -4.316 -0.651 -0.381 1.00 0.00 C ATOM 326 CG TYR A 19 -4.546 -2.138 -0.519 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.737 -2.627 -1.036 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.574 -3.052 -0.129 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.956 -3.985 -1.163 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.784 -4.412 -0.252 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.976 -4.873 -0.770 1.00 0.00 C ATOM 332 OH TYR A 19 -5.191 -6.227 -0.893 1.00 0.00 O ATOM 0 H TYR A 19 -4.863 1.742 -0.200 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.870 -0.572 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.726 -0.145 -1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.244 -0.456 -0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.506 -1.934 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.640 -2.693 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.889 -4.349 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.019 -5.110 0.056 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.339 -6.703 -0.803 1.00 0.00 H new ATOM 342 N GLN A 20 -2.956 0.605 2.101 1.00 0.00 N ATOM 343 CA GLN A 20 -1.968 0.551 3.174 1.00 0.00 C ATOM 344 C GLN A 20 -2.632 0.683 4.542 1.00 0.00 C ATOM 345 O GLN A 20 -2.462 -0.173 5.412 1.00 0.00 O ATOM 346 CB GLN A 20 -0.921 1.652 2.989 1.00 0.00 C ATOM 347 CG GLN A 20 0.117 1.331 1.927 1.00 0.00 C ATOM 348 CD GLN A 20 1.094 2.467 1.701 1.00 0.00 C ATOM 349 OE1 GLN A 20 1.398 3.233 2.615 1.00 0.00 O ATOM 350 NE2 GLN A 20 1.593 2.582 0.475 1.00 0.00 N ATOM 0 H GLN A 20 -2.780 1.329 1.404 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.475 -0.420 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.426 2.581 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.415 1.825 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.667 0.437 2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.388 1.100 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.313 1.925 -0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.256 3.328 0.262 1.00 0.00 H new ATOM 359 N THR A 21 -3.389 1.759 4.725 1.00 0.00 N ATOM 360 CA THR A 21 -4.079 2.005 5.985 1.00 0.00 C ATOM 361 C THR A 21 -5.195 0.989 6.214 1.00 0.00 C ATOM 362 O THR A 21 -5.615 0.764 7.346 1.00 0.00 O ATOM 363 CB THR A 21 -4.677 3.422 6.028 1.00 0.00 C ATOM 364 OG1 THR A 21 -5.459 3.590 7.217 1.00 0.00 O ATOM 365 CG2 THR A 21 -5.543 3.680 4.803 1.00 0.00 C ATOM 0 H THR A 21 -3.540 2.476 4.015 1.00 0.00 H new ATOM 0 HA THR A 21 -3.335 1.905 6.775 1.00 0.00 H new ATOM 0 HB THR A 21 -3.856 4.139 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.834 4.495 7.237 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.955 4.688 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.937 3.581 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.357 2.956 4.774 1.00 0.00 H new ATOM 373 N LEU A 22 -5.670 0.382 5.130 1.00 0.00 N ATOM 374 CA LEU A 22 -6.741 -0.607 5.203 1.00 0.00 C ATOM 375 C LEU A 22 -6.337 -1.807 6.062 1.00 0.00 C ATOM 376 O LEU A 22 -7.079 -2.221 6.952 1.00 0.00 O ATOM 377 CB LEU A 22 -7.132 -1.055 3.785 1.00 0.00 C ATOM 378 CG LEU A 22 -7.328 -2.561 3.580 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.611 -3.037 4.245 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.341 -2.895 2.096 1.00 0.00 C ATOM 0 H LEU A 22 -5.328 0.559 4.186 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.605 -0.144 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.057 -0.549 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.362 -0.713 3.093 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.492 -3.081 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.728 -4.109 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.564 -2.832 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.462 -2.511 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.481 -3.968 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.157 -2.361 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.394 -2.596 1.647 1.00 0.00 H new ATOM 392 N GLU A 23 -5.162 -2.360 5.792 1.00 0.00 N ATOM 393 CA GLU A 23 -4.672 -3.518 6.535 1.00 0.00 C ATOM 394 C GLU A 23 -4.293 -3.145 7.966 1.00 0.00 C ATOM 395 O GLU A 23 -4.565 -3.893 8.907 1.00 0.00 O ATOM 396 CB GLU A 23 -3.469 -4.127 5.813 1.00 0.00 C ATOM 397 CG GLU A 23 -3.850 -5.062 4.678 1.00 0.00 C ATOM 398 CD GLU A 23 -4.633 -6.270 5.155 1.00 0.00 C ATOM 399 OE1 GLU A 23 -4.001 -7.281 5.523 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.881 -6.204 5.162 1.00 0.00 O ATOM 0 H GLU A 23 -4.529 -2.027 5.065 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.476 -4.253 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.848 -3.323 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.861 -4.673 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.444 -4.515 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.946 -5.397 4.169 1.00 0.00 H new ATOM 407 N LEU A 24 -3.673 -1.982 8.125 1.00 0.00 N ATOM 408 CA LEU A 24 -3.242 -1.516 9.439 1.00 0.00 C ATOM 409 C LEU A 24 -4.428 -1.185 10.344 1.00 0.00 C ATOM 410 O LEU A 24 -4.352 -1.354 11.560 1.00 0.00 O ATOM 411 CB LEU A 24 -2.346 -0.285 9.289 1.00 0.00 C ATOM 412 CG LEU A 24 -1.119 -0.478 8.396 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.378 0.838 8.217 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.192 -1.535 8.979 1.00 0.00 C ATOM 0 H LEU A 24 -3.457 -1.343 7.360 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.682 -2.325 9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.944 0.533 8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.010 0.023 10.279 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.458 -0.820 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.492 0.682 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.041 1.569 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.053 1.208 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.674 -1.657 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.139 -1.223 9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.724 -2.483 9.056 1.00 0.00 H new ATOM 426 N GLU A 25 -5.519 -0.713 9.749 1.00 0.00 N ATOM 427 CA GLU A 25 -6.705 -0.350 10.522 1.00 0.00 C ATOM 428 C GLU A 25 -7.540 -1.577 10.881 1.00 0.00 C ATOM 429 O GLU A 25 -8.067 -1.671 11.988 1.00 0.00 O ATOM 430 CB GLU A 25 -7.564 0.662 9.756 1.00 0.00 C ATOM 431 CG GLU A 25 -8.252 0.086 8.528 1.00 0.00 C ATOM 432 CD GLU A 25 -9.125 1.103 7.818 1.00 0.00 C ATOM 433 OE1 GLU A 25 -8.603 1.823 6.941 1.00 0.00 O ATOM 434 OE2 GLU A 25 -10.330 1.176 8.135 1.00 0.00 O ATOM 0 H GLU A 25 -5.608 -0.573 8.743 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.359 0.107 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.321 1.063 10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.935 1.498 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.498 -0.287 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.862 -0.767 8.825 1.00 0.00 H new ATOM 441 N LYS A 26 -7.655 -2.516 9.945 1.00 0.00 N ATOM 442 CA LYS A 26 -8.436 -3.729 10.173 1.00 0.00 C ATOM 443 C LYS A 26 -7.938 -4.493 11.396 1.00 0.00 C ATOM 444 O LYS A 26 -8.733 -5.066 12.141 1.00 0.00 O ATOM 445 CB LYS A 26 -8.392 -4.640 8.944 1.00 0.00 C ATOM 446 CG LYS A 26 -9.315 -4.193 7.822 1.00 0.00 C ATOM 447 CD LYS A 26 -9.418 -5.246 6.728 1.00 0.00 C ATOM 448 CE LYS A 26 -10.139 -6.493 7.215 1.00 0.00 C ATOM 449 NZ LYS A 26 -11.511 -6.186 7.704 1.00 0.00 N ATOM 0 H LYS A 26 -7.219 -2.461 9.025 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.466 -3.422 10.355 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.370 -4.680 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.661 -5.653 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.307 -3.989 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.946 -3.260 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.948 -4.830 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.419 -5.514 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.197 -7.219 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.563 -6.956 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.077 -7.059 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.457 -5.789 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.960 -5.496 7.069 1.00 0.00 H new ATOM 463 N GLU A 27 -6.625 -4.501 11.597 1.00 0.00 N ATOM 464 CA GLU A 27 -6.037 -5.208 12.729 1.00 0.00 C ATOM 465 C GLU A 27 -6.077 -4.359 13.996 1.00 0.00 C ATOM 466 O GLU A 27 -6.259 -4.879 15.096 1.00 0.00 O ATOM 467 CB GLU A 27 -4.595 -5.607 12.409 1.00 0.00 C ATOM 468 CG GLU A 27 -3.679 -4.424 12.141 1.00 0.00 C ATOM 469 CD GLU A 27 -2.258 -4.846 11.823 1.00 0.00 C ATOM 470 OE1 GLU A 27 -1.955 -5.062 10.631 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.448 -4.962 12.768 1.00 0.00 O ATOM 0 H GLU A 27 -5.951 -4.029 10.995 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.628 -6.107 12.907 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.194 -6.185 13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.593 -6.261 11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.076 -3.843 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.673 -3.769 13.012 1.00 0.00 H new ATOM 478 N PHE A 28 -5.913 -3.053 13.832 1.00 0.00 N ATOM 479 CA PHE A 28 -5.926 -2.125 14.957 1.00 0.00 C ATOM 480 C PHE A 28 -7.179 -2.303 15.818 1.00 0.00 C ATOM 481 O PHE A 28 -7.187 -1.943 16.995 1.00 0.00 O ATOM 482 CB PHE A 28 -5.842 -0.684 14.450 1.00 0.00 C ATOM 483 CG PHE A 28 -5.728 0.339 15.546 1.00 0.00 C ATOM 484 CD1 PHE A 28 -4.541 0.499 16.243 1.00 0.00 C ATOM 485 CD2 PHE A 28 -6.808 1.143 15.875 1.00 0.00 C ATOM 486 CE1 PHE A 28 -4.434 1.440 17.249 1.00 0.00 C ATOM 487 CE2 PHE A 28 -6.706 2.086 16.881 1.00 0.00 C ATOM 488 CZ PHE A 28 -5.517 2.235 17.569 1.00 0.00 C ATOM 0 H PHE A 28 -5.768 -2.609 12.925 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.058 -2.343 15.579 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.981 -0.591 13.788 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.728 -0.466 13.853 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.690 -0.119 15.997 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.739 1.032 15.340 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.503 1.554 17.785 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -7.555 2.706 17.129 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.435 2.971 18.355 1.00 0.00 H new ATOM 498 N LEU A 29 -8.232 -2.863 15.226 1.00 0.00 N ATOM 499 CA LEU A 29 -9.492 -3.059 15.940 1.00 0.00 C ATOM 500 C LEU A 29 -9.418 -4.226 16.914 1.00 0.00 C ATOM 501 O LEU A 29 -9.556 -4.054 18.125 1.00 0.00 O ATOM 502 CB LEU A 29 -10.633 -3.302 14.947 1.00 0.00 C ATOM 503 CG LEU A 29 -10.514 -2.557 13.616 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.740 -2.812 12.752 1.00 0.00 C ATOM 505 CD2 LEU A 29 -10.327 -1.066 13.848 1.00 0.00 C ATOM 0 H LEU A 29 -8.238 -3.188 14.259 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.683 -2.150 16.511 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -10.692 -4.371 14.742 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.572 -3.016 15.421 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.636 -2.933 13.091 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.639 -2.275 11.809 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.829 -3.880 12.553 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.632 -2.464 13.274 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.245 -0.556 12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.183 -0.673 14.396 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.419 -0.899 14.427 1.00 0.00 H new ATOM 517 N PHE A 30 -9.201 -5.408 16.369 1.00 0.00 N ATOM 518 CA PHE A 30 -9.128 -6.627 17.170 1.00 0.00 C ATOM 519 C PHE A 30 -7.698 -7.122 17.316 1.00 0.00 C ATOM 520 O PHE A 30 -7.198 -7.303 18.427 1.00 0.00 O ATOM 521 CB PHE A 30 -9.984 -7.721 16.529 1.00 0.00 C ATOM 522 CG PHE A 30 -10.229 -8.901 17.426 1.00 0.00 C ATOM 523 CD1 PHE A 30 -11.275 -8.892 18.334 1.00 0.00 C ATOM 524 CD2 PHE A 30 -9.414 -10.020 17.360 1.00 0.00 C ATOM 525 CE1 PHE A 30 -11.506 -9.978 19.158 1.00 0.00 C ATOM 526 CE2 PHE A 30 -9.639 -11.109 18.182 1.00 0.00 C ATOM 527 CZ PHE A 30 -10.686 -11.087 19.082 1.00 0.00 C ATOM 0 H PHE A 30 -9.071 -5.556 15.368 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.506 -6.392 18.165 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -10.943 -7.294 16.235 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.495 -8.064 15.617 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.918 -8.026 18.399 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.593 -10.042 16.658 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.326 -9.959 19.860 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.997 -11.975 18.120 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.864 -11.936 19.726 1.00 0.00 H new ATOM 537 N ASN A 31 -7.054 -7.342 16.182 1.00 0.00 N ATOM 538 CA ASN A 31 -5.683 -7.842 16.155 1.00 0.00 C ATOM 539 C ASN A 31 -4.675 -6.738 16.457 1.00 0.00 C ATOM 540 O ASN A 31 -3.871 -6.367 15.602 1.00 0.00 O ATOM 541 CB ASN A 31 -5.376 -8.473 14.796 1.00 0.00 C ATOM 542 CG ASN A 31 -6.355 -9.574 14.436 1.00 0.00 C ATOM 543 OD1 ASN A 31 -6.142 -10.741 14.764 1.00 0.00 O ATOM 544 ND2 ASN A 31 -7.434 -9.206 13.756 1.00 0.00 N ATOM 0 H ASN A 31 -7.459 -7.182 15.260 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.593 -8.600 16.934 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.401 -7.702 14.026 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.365 -8.879 14.807 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.128 -9.903 13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.569 -8.227 13.505 1.00 0.00 H new ATOM 551 N MET A 32 -4.730 -6.210 17.674 1.00 0.00 N ATOM 552 CA MET A 32 -3.819 -5.161 18.096 1.00 0.00 C ATOM 553 C MET A 32 -2.375 -5.658 18.058 1.00 0.00 C ATOM 554 O MET A 32 -1.442 -4.879 17.861 1.00 0.00 O ATOM 555 CB MET A 32 -4.182 -4.703 19.507 1.00 0.00 C ATOM 556 CG MET A 32 -5.619 -4.221 19.638 1.00 0.00 C ATOM 557 SD MET A 32 -6.014 -3.662 21.306 1.00 0.00 S ATOM 558 CE MET A 32 -7.745 -3.238 21.121 1.00 0.00 C ATOM 0 H MET A 32 -5.401 -6.495 18.387 1.00 0.00 H new ATOM 0 HA MET A 32 -3.909 -4.318 17.411 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.019 -5.527 20.201 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.509 -3.899 19.804 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.790 -3.405 18.935 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.296 -5.029 19.360 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.134 -2.874 22.072 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.850 -2.460 20.365 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.305 -4.121 20.814 1.00 0.00 H new ATOM 568 N TYR A 33 -2.208 -6.963 18.251 1.00 0.00 N ATOM 569 CA TYR A 33 -0.887 -7.585 18.234 1.00 0.00 C ATOM 570 C TYR A 33 -0.886 -8.800 17.310 1.00 0.00 C ATOM 571 O TYR A 33 -1.546 -9.801 17.587 1.00 0.00 O ATOM 572 CB TYR A 33 -0.479 -8.001 19.649 1.00 0.00 C ATOM 573 CG TYR A 33 0.930 -8.541 19.744 1.00 0.00 C ATOM 574 CD1 TYR A 33 2.018 -7.682 19.839 1.00 0.00 C ATOM 575 CD2 TYR A 33 1.173 -9.909 19.741 1.00 0.00 C ATOM 576 CE1 TYR A 33 3.308 -8.171 19.927 1.00 0.00 C ATOM 577 CE2 TYR A 33 2.459 -10.406 19.829 1.00 0.00 C ATOM 578 CZ TYR A 33 3.523 -9.533 19.922 1.00 0.00 C ATOM 579 OH TYR A 33 4.805 -10.024 20.010 1.00 0.00 O ATOM 0 H TYR A 33 -2.975 -7.613 18.422 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.166 -6.859 17.859 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.574 -7.141 20.312 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.174 -8.760 20.009 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.853 -6.615 19.844 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.342 -10.596 19.669 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.143 -7.490 19.999 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.630 -11.472 19.825 1.00 0.00 H new ATOM 0 HH TYR A 33 4.782 -11.004 19.994 1.00 0.00 H new ATOM 589 N LEU A 34 -0.144 -8.706 16.211 1.00 0.00 N ATOM 590 CA LEU A 34 -0.074 -9.793 15.240 1.00 0.00 C ATOM 591 C LEU A 34 1.041 -10.778 15.572 1.00 0.00 C ATOM 592 O LEU A 34 1.807 -10.579 16.514 1.00 0.00 O ATOM 593 CB LEU A 34 0.137 -9.239 13.830 1.00 0.00 C ATOM 594 CG LEU A 34 -1.004 -8.380 13.287 1.00 0.00 C ATOM 595 CD1 LEU A 34 -0.681 -7.899 11.882 1.00 0.00 C ATOM 596 CD2 LEU A 34 -2.310 -9.160 13.295 1.00 0.00 C ATOM 0 H LEU A 34 0.417 -7.889 15.970 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.024 -10.326 15.285 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.051 -8.645 13.824 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.296 -10.075 13.149 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.120 -7.510 13.934 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.503 -7.288 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.233 -7.305 11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.541 -8.758 11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.111 -8.532 12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.208 -10.047 12.670 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.548 -9.460 14.315 1.00 0.00 H new ATOM 608 N THR A 35 1.116 -11.844 14.779 1.00 0.00 N ATOM 609 CA THR A 35 2.131 -12.874 14.960 1.00 0.00 C ATOM 610 C THR A 35 2.999 -12.996 13.710 1.00 0.00 C ATOM 611 O THR A 35 2.833 -12.234 12.761 1.00 0.00 O ATOM 612 CB THR A 35 1.492 -14.244 15.272 1.00 0.00 C ATOM 613 OG1 THR A 35 2.508 -15.208 15.573 1.00 0.00 O ATOM 614 CG2 THR A 35 0.654 -14.736 14.101 1.00 0.00 C ATOM 0 H THR A 35 0.480 -12.016 14.000 1.00 0.00 H new ATOM 0 HA THR A 35 2.750 -12.576 15.806 1.00 0.00 H new ATOM 0 HB THR A 35 0.841 -14.120 16.138 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.091 -16.072 15.771 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.216 -15.703 14.348 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.141 -14.019 13.896 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.286 -14.839 13.219 1.00 0.00 H new ATOM 622 N ARG A 36 3.923 -13.951 13.714 1.00 0.00 N ATOM 623 CA ARG A 36 4.802 -14.161 12.569 1.00 0.00 C ATOM 624 C ARG A 36 3.988 -14.467 11.318 1.00 0.00 C ATOM 625 O ARG A 36 4.318 -14.020 10.221 1.00 0.00 O ATOM 626 CB ARG A 36 5.769 -15.312 12.839 1.00 0.00 C ATOM 627 CG ARG A 36 6.867 -15.435 11.794 1.00 0.00 C ATOM 628 CD ARG A 36 7.816 -16.582 12.105 1.00 0.00 C ATOM 629 NE ARG A 36 8.849 -16.725 11.080 1.00 0.00 N ATOM 630 CZ ARG A 36 9.996 -17.371 11.270 1.00 0.00 C ATOM 631 NH1 ARG A 36 10.259 -17.935 12.441 1.00 0.00 N ATOM 632 NH2 ARG A 36 10.883 -17.452 10.287 1.00 0.00 N ATOM 0 H ARG A 36 4.082 -14.589 14.493 1.00 0.00 H new ATOM 0 HA ARG A 36 5.371 -13.245 12.410 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.224 -15.172 13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.209 -16.246 12.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.419 -15.590 10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.428 -14.502 11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.286 -16.412 13.074 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.251 -17.511 12.183 1.00 0.00 H new ATOM 0 HE ARG A 36 8.680 -16.305 10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.580 -17.874 13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.140 -18.429 12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.686 -17.019 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.762 -17.948 10.433 1.00 0.00 H new ATOM 646 N ASP A 37 2.920 -15.234 11.501 1.00 0.00 N ATOM 647 CA ASP A 37 2.047 -15.613 10.395 1.00 0.00 C ATOM 648 C ASP A 37 1.335 -14.395 9.814 1.00 0.00 C ATOM 649 O ASP A 37 1.447 -14.111 8.621 1.00 0.00 O ATOM 650 CB ASP A 37 1.020 -16.647 10.860 1.00 0.00 C ATOM 651 CG ASP A 37 1.671 -17.911 11.386 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.938 -18.824 10.577 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.915 -17.989 12.609 1.00 0.00 O ATOM 0 H ASP A 37 2.637 -15.607 12.407 1.00 0.00 H new ATOM 0 HA ASP A 37 2.667 -16.052 9.613 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.397 -16.211 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.361 -16.899 10.029 1.00 0.00 H new ATOM 658 N ARG A 38 0.602 -13.681 10.663 1.00 0.00 N ATOM 659 CA ARG A 38 -0.129 -12.493 10.235 1.00 0.00 C ATOM 660 C ARG A 38 0.806 -11.469 9.602 1.00 0.00 C ATOM 661 O ARG A 38 0.534 -10.957 8.519 1.00 0.00 O ATOM 662 CB ARG A 38 -0.863 -11.864 11.418 1.00 0.00 C ATOM 663 CG ARG A 38 -2.287 -12.365 11.590 1.00 0.00 C ATOM 664 CD ARG A 38 -3.201 -11.823 10.503 1.00 0.00 C ATOM 665 NE ARG A 38 -4.588 -12.228 10.704 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.571 -11.949 9.852 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.319 -11.268 8.742 1.00 0.00 N ATOM 668 NH2 ARG A 38 -6.807 -12.353 10.111 1.00 0.00 N ATOM 0 H ARG A 38 0.498 -13.905 11.653 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.857 -12.802 9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.303 -12.067 12.331 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.881 -10.782 11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.296 -13.455 11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.664 -12.065 12.568 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.140 -10.735 10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.857 -12.176 9.531 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.817 -12.756 11.546 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.369 -10.956 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.075 -11.056 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.004 -12.878 10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.561 -12.139 9.458 1.00 0.00 H new ATOM 682 N ARG A 39 1.908 -11.177 10.283 1.00 0.00 N ATOM 683 CA ARG A 39 2.885 -10.211 9.787 1.00 0.00 C ATOM 684 C ARG A 39 3.308 -10.539 8.361 1.00 0.00 C ATOM 685 O ARG A 39 3.609 -9.644 7.573 1.00 0.00 O ATOM 686 CB ARG A 39 4.115 -10.188 10.695 1.00 0.00 C ATOM 687 CG ARG A 39 3.886 -9.479 12.020 1.00 0.00 C ATOM 688 CD ARG A 39 5.022 -9.747 12.995 1.00 0.00 C ATOM 689 NE ARG A 39 6.329 -9.482 12.400 1.00 0.00 N ATOM 690 CZ ARG A 39 7.457 -10.051 12.817 1.00 0.00 C ATOM 691 NH1 ARG A 39 7.437 -10.909 13.829 1.00 0.00 N ATOM 692 NH2 ARG A 39 8.607 -9.764 12.222 1.00 0.00 N ATOM 0 H ARG A 39 2.149 -11.595 11.182 1.00 0.00 H new ATOM 0 HA ARG A 39 2.414 -9.228 9.790 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.429 -11.213 10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.935 -9.699 10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.796 -8.406 11.850 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.944 -9.813 12.455 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.894 -9.124 13.880 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.978 -10.785 13.326 1.00 0.00 H new ATOM 0 HE ARG A 39 6.380 -8.824 11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.555 -11.134 14.290 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.303 -11.344 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.628 -9.106 11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.471 -10.201 12.543 1.00 0.00 H new ATOM 706 N TYR A 40 3.323 -11.826 8.032 1.00 0.00 N ATOM 707 CA TYR A 40 3.722 -12.274 6.703 1.00 0.00 C ATOM 708 C TYR A 40 2.655 -11.946 5.659 1.00 0.00 C ATOM 709 O TYR A 40 2.925 -11.243 4.685 1.00 0.00 O ATOM 710 CB TYR A 40 3.990 -13.780 6.714 1.00 0.00 C ATOM 711 CG TYR A 40 4.977 -14.232 5.658 1.00 0.00 C ATOM 712 CD1 TYR A 40 4.781 -13.932 4.316 1.00 0.00 C ATOM 713 CD2 TYR A 40 6.109 -14.961 6.007 1.00 0.00 C ATOM 714 CE1 TYR A 40 5.681 -14.342 3.352 1.00 0.00 C ATOM 715 CE2 TYR A 40 7.014 -15.376 5.048 1.00 0.00 C ATOM 716 CZ TYR A 40 6.795 -15.065 3.723 1.00 0.00 C ATOM 717 OH TYR A 40 7.694 -15.475 2.766 1.00 0.00 O ATOM 0 H TYR A 40 3.063 -12.579 8.669 1.00 0.00 H new ATOM 0 HA TYR A 40 4.635 -11.744 6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.367 -14.066 7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.048 -14.309 6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.909 -13.368 4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.284 -15.207 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.513 -14.098 2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.888 -15.941 5.335 1.00 0.00 H new ATOM 0 HH TYR A 40 8.423 -15.972 3.193 1.00 0.00 H new ATOM 727 N GLU A 41 1.447 -12.462 5.867 1.00 0.00 N ATOM 728 CA GLU A 41 0.346 -12.238 4.934 1.00 0.00 C ATOM 729 C GLU A 41 0.066 -10.750 4.743 1.00 0.00 C ATOM 730 O GLU A 41 -0.101 -10.284 3.615 1.00 0.00 O ATOM 731 CB GLU A 41 -0.917 -12.955 5.419 1.00 0.00 C ATOM 732 CG GLU A 41 -1.340 -12.571 6.827 1.00 0.00 C ATOM 733 CD GLU A 41 -2.538 -13.364 7.312 1.00 0.00 C ATOM 734 OE1 GLU A 41 -3.681 -12.932 7.055 1.00 0.00 O ATOM 735 OE2 GLU A 41 -2.332 -14.417 7.952 1.00 0.00 O ATOM 0 H GLU A 41 1.205 -13.038 6.673 1.00 0.00 H new ATOM 0 HA GLU A 41 0.642 -12.649 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.734 -12.735 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.749 -14.031 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.504 -12.728 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.578 -11.508 6.854 1.00 0.00 H new ATOM 742 N VAL A 42 0.015 -10.008 5.843 1.00 0.00 N ATOM 743 CA VAL A 42 -0.246 -8.575 5.781 1.00 0.00 C ATOM 744 C VAL A 42 0.898 -7.839 5.087 1.00 0.00 C ATOM 745 O VAL A 42 0.710 -6.748 4.552 1.00 0.00 O ATOM 746 CB VAL A 42 -0.459 -7.973 7.186 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.533 -8.744 7.940 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.844 -7.953 7.971 1.00 0.00 C ATOM 0 H VAL A 42 0.150 -10.373 6.786 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.161 -8.447 5.203 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.796 -6.943 7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.670 -8.305 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.472 -8.694 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.228 -9.785 8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.668 -7.524 8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.219 -8.971 8.079 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.580 -7.350 7.439 1.00 0.00 H new ATOM 758 N ALA A 43 2.081 -8.446 5.098 1.00 0.00 N ATOM 759 CA ALA A 43 3.254 -7.849 4.471 1.00 0.00 C ATOM 760 C ALA A 43 3.268 -8.123 2.971 1.00 0.00 C ATOM 761 O ALA A 43 3.866 -7.376 2.197 1.00 0.00 O ATOM 762 CB ALA A 43 4.525 -8.381 5.115 1.00 0.00 C ATOM 0 H ALA A 43 2.252 -9.352 5.535 1.00 0.00 H new ATOM 0 HA ALA A 43 3.208 -6.770 4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.393 -7.927 4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.525 -8.135 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.569 -9.463 4.993 1.00 0.00 H new ATOM 768 N ARG A 44 2.604 -9.202 2.571 1.00 0.00 N ATOM 769 CA ARG A 44 2.534 -9.584 1.170 1.00 0.00 C ATOM 770 C ARG A 44 1.529 -8.720 0.415 1.00 0.00 C ATOM 771 O ARG A 44 1.708 -8.433 -0.768 1.00 0.00 O ATOM 772 CB ARG A 44 2.146 -11.057 1.054 1.00 0.00 C ATOM 773 CG ARG A 44 3.255 -12.015 1.457 1.00 0.00 C ATOM 774 CD ARG A 44 2.853 -13.463 1.224 1.00 0.00 C ATOM 775 NE ARG A 44 2.678 -13.764 -0.195 1.00 0.00 N ATOM 776 CZ ARG A 44 2.298 -14.953 -0.656 1.00 0.00 C ATOM 777 NH1 ARG A 44 2.036 -15.941 0.189 1.00 0.00 N ATOM 778 NH2 ARG A 44 2.178 -15.152 -1.961 1.00 0.00 N ATOM 0 H ARG A 44 2.105 -9.829 3.203 1.00 0.00 H new ATOM 0 HA ARG A 44 3.517 -9.431 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.272 -11.244 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.853 -11.266 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.156 -11.790 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.499 -11.869 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.614 -14.122 1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.924 -13.671 1.755 1.00 0.00 H new ATOM 0 HE ARG A 44 2.857 -13.021 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.126 -15.790 1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.745 -16.852 -0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.377 -14.393 -2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.887 -16.064 -2.313 1.00 0.00 H new ATOM 792 N VAL A 45 0.471 -8.310 1.108 1.00 0.00 N ATOM 793 CA VAL A 45 -0.563 -7.482 0.501 1.00 0.00 C ATOM 794 C VAL A 45 -0.221 -5.998 0.611 1.00 0.00 C ATOM 795 O VAL A 45 -0.665 -5.187 -0.201 1.00 0.00 O ATOM 796 CB VAL A 45 -1.940 -7.742 1.147 1.00 0.00 C ATOM 797 CG1 VAL A 45 -2.210 -9.236 1.232 1.00 0.00 C ATOM 798 CG2 VAL A 45 -2.027 -7.103 2.525 1.00 0.00 C ATOM 0 H VAL A 45 0.308 -8.538 2.089 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.611 -7.755 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.703 -7.285 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.185 -9.404 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.201 -9.665 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.438 -9.711 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.008 -7.302 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.255 -7.522 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.881 -6.026 2.437 1.00 0.00 H new ATOM 808 N LEU A 46 0.573 -5.652 1.621 1.00 0.00 N ATOM 809 CA LEU A 46 0.976 -4.265 1.835 1.00 0.00 C ATOM 810 C LEU A 46 2.337 -3.988 1.201 1.00 0.00 C ATOM 811 O LEU A 46 2.805 -2.850 1.186 1.00 0.00 O ATOM 812 CB LEU A 46 1.021 -3.946 3.335 1.00 0.00 C ATOM 813 CG LEU A 46 -0.332 -3.917 4.045 1.00 0.00 C ATOM 814 CD1 LEU A 46 -0.155 -3.469 5.489 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.299 -2.997 3.313 1.00 0.00 C ATOM 0 H LEU A 46 0.949 -6.311 2.302 1.00 0.00 H new ATOM 0 HA LEU A 46 0.236 -3.622 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.653 -4.685 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.502 -2.977 3.468 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.751 -4.923 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.125 -3.452 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.506 -4.164 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.281 -2.470 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.257 -2.989 3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.891 -1.986 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.442 -3.356 2.294 1.00 0.00 H new ATOM 827 N ASN A 47 2.962 -5.040 0.676 1.00 0.00 N ATOM 828 CA ASN A 47 4.269 -4.922 0.034 1.00 0.00 C ATOM 829 C ASN A 47 5.306 -4.377 1.012 1.00 0.00 C ATOM 830 O ASN A 47 6.226 -3.654 0.623 1.00 0.00 O ATOM 831 CB ASN A 47 4.176 -4.020 -1.200 1.00 0.00 C ATOM 832 CG ASN A 47 5.432 -4.066 -2.050 1.00 0.00 C ATOM 833 OD1 ASN A 47 6.128 -5.080 -2.096 1.00 0.00 O ATOM 834 ND2 ASN A 47 5.728 -2.962 -2.727 1.00 0.00 N ATOM 0 H ASN A 47 2.583 -5.987 0.683 1.00 0.00 H new ATOM 0 HA ASN A 47 4.586 -5.916 -0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.321 -4.324 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.994 -2.993 -0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.561 -2.932 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.122 -2.144 -2.659 1.00 0.00 H new ATOM 841 N LEU A 48 5.155 -4.736 2.281 1.00 0.00 N ATOM 842 CA LEU A 48 6.075 -4.286 3.321 1.00 0.00 C ATOM 843 C LEU A 48 6.833 -5.464 3.921 1.00 0.00 C ATOM 844 O LEU A 48 6.627 -6.612 3.528 1.00 0.00 O ATOM 845 CB LEU A 48 5.310 -3.547 4.421 1.00 0.00 C ATOM 846 CG LEU A 48 4.279 -2.529 3.928 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.578 -1.870 5.106 1.00 0.00 C ATOM 848 CD2 LEU A 48 4.938 -1.483 3.041 1.00 0.00 C ATOM 0 H LEU A 48 4.403 -5.338 2.616 1.00 0.00 H new ATOM 0 HA LEU A 48 6.795 -3.606 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.801 -4.282 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.029 -3.032 5.058 1.00 0.00 H new ATOM 0 HG LEU A 48 3.532 -3.056 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.848 -1.149 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.070 -2.631 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.313 -1.358 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.188 -0.769 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.708 -0.959 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.391 -1.971 2.178 1.00 0.00 H new ATOM 860 N THR A 49 7.716 -5.172 4.869 1.00 0.00 N ATOM 861 CA THR A 49 8.499 -6.208 5.530 1.00 0.00 C ATOM 862 C THR A 49 7.790 -6.695 6.790 1.00 0.00 C ATOM 863 O THR A 49 7.123 -5.918 7.474 1.00 0.00 O ATOM 864 CB THR A 49 9.905 -5.700 5.903 1.00 0.00 C ATOM 865 OG1 THR A 49 10.562 -5.178 4.742 1.00 0.00 O ATOM 866 CG2 THR A 49 10.747 -6.815 6.506 1.00 0.00 C ATOM 0 H THR A 49 7.907 -4.225 5.197 1.00 0.00 H new ATOM 0 HA THR A 49 8.602 -7.034 4.826 1.00 0.00 H new ATOM 0 HB THR A 49 9.792 -4.910 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.454 -4.856 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.734 -6.429 6.760 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.262 -7.191 7.407 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.849 -7.625 5.784 1.00 0.00 H new ATOM 874 N GLU A 50 7.933 -7.983 7.089 1.00 0.00 N ATOM 875 CA GLU A 50 7.306 -8.570 8.268 1.00 0.00 C ATOM 876 C GLU A 50 7.649 -7.772 9.520 1.00 0.00 C ATOM 877 O GLU A 50 6.761 -7.319 10.243 1.00 0.00 O ATOM 878 CB GLU A 50 7.758 -10.021 8.443 1.00 0.00 C ATOM 879 CG GLU A 50 7.423 -10.912 7.259 1.00 0.00 C ATOM 880 CD GLU A 50 7.929 -12.329 7.439 1.00 0.00 C ATOM 881 OE1 GLU A 50 7.297 -13.093 8.199 1.00 0.00 O ATOM 882 OE2 GLU A 50 8.959 -12.674 6.824 1.00 0.00 O ATOM 0 H GLU A 50 8.478 -8.640 6.531 1.00 0.00 H new ATOM 0 HA GLU A 50 6.226 -8.545 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.835 -10.039 8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.292 -10.432 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.343 -10.931 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.857 -10.487 6.354 1.00 0.00 H new ATOM 889 N ARG A 51 8.943 -7.603 9.768 1.00 0.00 N ATOM 890 CA ARG A 51 9.409 -6.860 10.930 1.00 0.00 C ATOM 891 C ARG A 51 8.944 -5.409 10.872 1.00 0.00 C ATOM 892 O ARG A 51 8.649 -4.802 11.899 1.00 0.00 O ATOM 893 CB ARG A 51 10.933 -6.916 11.020 1.00 0.00 C ATOM 894 CG ARG A 51 11.477 -8.327 11.174 1.00 0.00 C ATOM 895 CD ARG A 51 12.985 -8.330 11.353 1.00 0.00 C ATOM 896 NE ARG A 51 13.679 -7.764 10.199 1.00 0.00 N ATOM 897 CZ ARG A 51 14.982 -7.905 9.980 1.00 0.00 C ATOM 898 NH1 ARG A 51 15.729 -8.601 10.828 1.00 0.00 N ATOM 899 NH2 ARG A 51 15.540 -7.355 8.911 1.00 0.00 N ATOM 0 H ARG A 51 9.688 -7.972 9.178 1.00 0.00 H new ATOM 0 HA ARG A 51 8.983 -7.323 11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.359 -6.466 10.123 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.262 -6.313 11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.007 -8.807 12.033 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.213 -8.917 10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.244 -7.761 12.246 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.328 -9.352 11.516 1.00 0.00 H new ATOM 0 HE ARG A 51 13.132 -7.230 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.303 -9.029 11.650 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.729 -8.708 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.969 -6.822 8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.540 -7.464 8.745 1.00 0.00 H new ATOM 913 N GLN A 52 8.879 -4.862 9.662 1.00 0.00 N ATOM 914 CA GLN A 52 8.454 -3.480 9.475 1.00 0.00 C ATOM 915 C GLN A 52 7.057 -3.253 10.046 1.00 0.00 C ATOM 916 O GLN A 52 6.742 -2.161 10.518 1.00 0.00 O ATOM 917 CB GLN A 52 8.481 -3.109 7.991 1.00 0.00 C ATOM 918 CG GLN A 52 8.194 -1.639 7.730 1.00 0.00 C ATOM 919 CD GLN A 52 8.274 -1.279 6.260 1.00 0.00 C ATOM 920 OE1 GLN A 52 9.027 -1.886 5.499 1.00 0.00 O ATOM 921 NE2 GLN A 52 7.493 -0.284 5.853 1.00 0.00 N ATOM 0 H GLN A 52 9.114 -5.353 8.799 1.00 0.00 H new ATOM 0 HA GLN A 52 9.152 -2.839 10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.459 -3.359 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.747 -3.715 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.200 -1.395 8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.905 -1.030 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.884 0.191 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.502 0.004 4.875 1.00 0.00 H new ATOM 930 N VAL A 53 6.221 -4.288 9.999 1.00 0.00 N ATOM 931 CA VAL A 53 4.859 -4.194 10.516 1.00 0.00 C ATOM 932 C VAL A 53 4.852 -3.848 12.003 1.00 0.00 C ATOM 933 O VAL A 53 4.312 -2.817 12.405 1.00 0.00 O ATOM 934 CB VAL A 53 4.082 -5.508 10.302 1.00 0.00 C ATOM 935 CG1 VAL A 53 2.633 -5.351 10.737 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.165 -5.948 8.850 1.00 0.00 C ATOM 0 H VAL A 53 6.463 -5.199 9.609 1.00 0.00 H new ATOM 0 HA VAL A 53 4.368 -3.396 9.960 1.00 0.00 H new ATOM 0 HB VAL A 53 4.540 -6.282 10.919 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.102 -6.289 10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.597 -5.088 11.794 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.161 -4.563 10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.610 -6.877 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.736 -5.176 8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.208 -6.107 8.577 1.00 0.00 H new ATOM 946 N LYS A 54 5.456 -4.713 12.815 1.00 0.00 N ATOM 947 CA LYS A 54 5.508 -4.500 14.259 1.00 0.00 C ATOM 948 C LYS A 54 6.281 -3.229 14.605 1.00 0.00 C ATOM 949 O LYS A 54 5.911 -2.501 15.526 1.00 0.00 O ATOM 950 CB LYS A 54 6.144 -5.706 14.955 1.00 0.00 C ATOM 951 CG LYS A 54 7.553 -6.008 14.490 1.00 0.00 C ATOM 952 CD LYS A 54 8.112 -7.228 15.199 1.00 0.00 C ATOM 953 CE LYS A 54 9.498 -7.565 14.689 1.00 0.00 C ATOM 954 NZ LYS A 54 10.064 -8.767 15.360 1.00 0.00 N ATOM 0 H LYS A 54 5.916 -5.567 12.498 1.00 0.00 H new ATOM 0 HA LYS A 54 4.484 -4.383 14.614 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.157 -5.528 16.030 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.519 -6.583 14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.556 -6.176 13.413 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.194 -5.147 14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.151 -7.043 16.273 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.448 -8.078 15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.456 -7.737 13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.160 -6.714 14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.013 -8.962 14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.129 -8.595 16.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.447 -9.585 15.185 1.00 0.00 H new ATOM 968 N ILE A 55 7.354 -2.966 13.864 1.00 0.00 N ATOM 969 CA ILE A 55 8.172 -1.780 14.100 1.00 0.00 C ATOM 970 C ILE A 55 7.403 -0.508 13.755 1.00 0.00 C ATOM 971 O ILE A 55 7.652 0.554 14.324 1.00 0.00 O ATOM 972 CB ILE A 55 9.482 -1.824 13.282 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.316 -3.044 13.681 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.281 -0.542 13.482 1.00 0.00 C ATOM 975 CD1 ILE A 55 11.512 -3.280 12.784 1.00 0.00 C ATOM 0 H ILE A 55 7.677 -3.556 13.097 1.00 0.00 H new ATOM 0 HA ILE A 55 8.422 -1.772 15.161 1.00 0.00 H new ATOM 0 HB ILE A 55 9.228 -1.908 12.225 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.661 -2.918 14.707 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.680 -3.929 13.665 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.200 -0.591 12.898 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.688 0.311 13.153 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.527 -0.428 14.538 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.056 -4.160 13.127 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.173 -3.438 11.760 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.170 -2.411 12.818 1.00 0.00 H new ATOM 987 N TRP A 56 6.462 -0.626 12.824 1.00 0.00 N ATOM 988 CA TRP A 56 5.656 0.515 12.403 1.00 0.00 C ATOM 989 C TRP A 56 4.748 0.983 13.537 1.00 0.00 C ATOM 990 O TRP A 56 4.725 2.165 13.878 1.00 0.00 O ATOM 991 CB TRP A 56 4.817 0.152 11.177 1.00 0.00 C ATOM 992 CG TRP A 56 4.145 1.332 10.544 1.00 0.00 C ATOM 993 CD1 TRP A 56 4.671 2.163 9.596 1.00 0.00 C ATOM 994 CD2 TRP A 56 2.823 1.816 10.813 1.00 0.00 C ATOM 995 NE1 TRP A 56 3.757 3.131 9.258 1.00 0.00 N ATOM 996 CE2 TRP A 56 2.615 2.941 9.991 1.00 0.00 C ATOM 997 CE3 TRP A 56 1.795 1.408 11.667 1.00 0.00 C ATOM 998 CZ2 TRP A 56 1.423 3.660 10.000 1.00 0.00 C ATOM 999 CZ3 TRP A 56 0.612 2.123 11.675 1.00 0.00 C ATOM 1000 CH2 TRP A 56 0.434 3.237 10.846 1.00 0.00 C ATOM 0 H TRP A 56 6.239 -1.499 12.347 1.00 0.00 H new ATOM 0 HA TRP A 56 6.331 1.329 12.140 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.457 -0.331 10.439 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.059 -0.576 11.467 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.661 2.072 9.174 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.905 3.872 8.572 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.922 0.549 12.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 1.284 4.521 9.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.189 1.817 12.332 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -0.503 3.773 10.875 1.00 0.00 H new ATOM 1011 N PHE A 57 4.003 0.046 14.117 1.00 0.00 N ATOM 1012 CA PHE A 57 3.095 0.363 15.214 1.00 0.00 C ATOM 1013 C PHE A 57 3.871 0.791 16.456 1.00 0.00 C ATOM 1014 O PHE A 57 3.463 1.710 17.167 1.00 0.00 O ATOM 1015 CB PHE A 57 2.214 -0.844 15.545 1.00 0.00 C ATOM 1016 CG PHE A 57 1.234 -1.193 14.460 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.057 -0.477 14.317 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.486 -2.241 13.588 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.850 -0.797 13.324 1.00 0.00 C ATOM 1020 CE2 PHE A 57 0.583 -2.565 12.593 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.586 -1.842 12.462 1.00 0.00 C ATOM 0 H PHE A 57 4.010 -0.937 13.846 1.00 0.00 H new ATOM 0 HA PHE A 57 2.461 1.191 14.896 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.852 -1.707 15.737 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.666 -0.641 16.465 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.155 0.341 14.989 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.398 -2.811 13.687 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.764 -0.230 13.223 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.792 -3.383 11.919 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.293 -2.094 11.686 1.00 0.00 H new ATOM 1031 N GLN A 58 4.989 0.120 16.709 1.00 0.00 N ATOM 1032 CA GLN A 58 5.825 0.425 17.866 1.00 0.00 C ATOM 1033 C GLN A 58 6.267 1.885 17.853 1.00 0.00 C ATOM 1034 O GLN A 58 6.063 2.612 18.825 1.00 0.00 O ATOM 1035 CB GLN A 58 7.053 -0.487 17.887 1.00 0.00 C ATOM 1036 CG GLN A 58 7.920 -0.314 19.123 1.00 0.00 C ATOM 1037 CD GLN A 58 9.166 -1.179 19.086 1.00 0.00 C ATOM 1038 OE1 GLN A 58 10.213 -0.757 18.596 1.00 0.00 O ATOM 1039 NE2 GLN A 58 9.056 -2.397 19.602 1.00 0.00 N ATOM 0 H GLN A 58 5.339 -0.641 16.127 1.00 0.00 H new ATOM 0 HA GLN A 58 5.232 0.252 18.764 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.725 -1.525 17.826 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.656 -0.291 17.000 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.211 0.732 19.215 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.336 -0.562 20.010 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.168 -2.705 19.998 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.860 -3.025 19.603 1.00 0.00 H new ATOM 1048 N ASN A 59 6.873 2.305 16.746 1.00 0.00 N ATOM 1049 CA ASN A 59 7.350 3.677 16.601 1.00 0.00 C ATOM 1050 C ASN A 59 6.230 4.679 16.857 1.00 0.00 C ATOM 1051 O ASN A 59 6.410 5.651 17.591 1.00 0.00 O ATOM 1052 CB ASN A 59 7.926 3.891 15.201 1.00 0.00 C ATOM 1053 CG ASN A 59 9.194 3.095 14.967 1.00 0.00 C ATOM 1054 OD1 ASN A 59 9.958 2.833 15.897 1.00 0.00 O ATOM 1055 ND2 ASN A 59 9.427 2.706 13.719 1.00 0.00 N ATOM 0 H ASN A 59 7.046 1.713 15.934 1.00 0.00 H new ATOM 0 HA ASN A 59 8.133 3.840 17.342 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.181 3.608 14.458 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.134 4.951 15.055 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.266 2.168 13.501 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.767 2.945 12.979 1.00 0.00 H new ATOM 1062 N ARG A 60 5.075 4.436 16.244 1.00 0.00 N ATOM 1063 CA ARG A 60 3.924 5.319 16.400 1.00 0.00 C ATOM 1064 C ARG A 60 3.538 5.467 17.869 1.00 0.00 C ATOM 1065 O ARG A 60 2.940 6.468 18.265 1.00 0.00 O ATOM 1066 CB ARG A 60 2.734 4.784 15.601 1.00 0.00 C ATOM 1067 CG ARG A 60 1.530 5.712 15.604 1.00 0.00 C ATOM 1068 CD ARG A 60 0.323 5.061 14.948 1.00 0.00 C ATOM 1069 NE ARG A 60 -0.093 3.852 15.653 1.00 0.00 N ATOM 1070 CZ ARG A 60 -1.183 3.155 15.342 1.00 0.00 C ATOM 1071 NH1 ARG A 60 -1.959 3.543 14.340 1.00 0.00 N ATOM 1072 NH2 ARG A 60 -1.495 2.068 16.034 1.00 0.00 N ATOM 0 H ARG A 60 4.912 3.635 15.634 1.00 0.00 H new ATOM 0 HA ARG A 60 4.201 6.302 16.018 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.047 4.612 14.571 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.438 3.818 16.010 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.284 5.987 16.630 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.778 6.634 15.078 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.504 5.770 14.924 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.561 4.814 13.913 1.00 0.00 H new ATOM 0 HE ARG A 60 0.484 3.523 16.427 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.721 4.378 13.805 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.794 3.006 14.104 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.899 1.766 16.805 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.331 1.534 15.795 1.00 0.00 H new ATOM 1086 N ARG A 61 3.878 4.465 18.673 1.00 0.00 N ATOM 1087 CA ARG A 61 3.562 4.490 20.096 1.00 0.00 C ATOM 1088 C ARG A 61 4.604 5.286 20.875 1.00 0.00 C ATOM 1089 O ARG A 61 4.277 5.963 21.849 1.00 0.00 O ATOM 1090 CB ARG A 61 3.474 3.065 20.648 1.00 0.00 C ATOM 1091 CG ARG A 61 2.336 2.249 20.056 1.00 0.00 C ATOM 1092 CD ARG A 61 0.979 2.770 20.503 1.00 0.00 C ATOM 1093 NE ARG A 61 -0.117 1.948 19.996 1.00 0.00 N ATOM 1094 CZ ARG A 61 -1.395 2.150 20.301 1.00 0.00 C ATOM 1095 NH1 ARG A 61 -1.738 3.141 21.112 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -2.333 1.360 19.795 1.00 0.00 N ATOM 0 H ARG A 61 4.371 3.627 18.364 1.00 0.00 H new ATOM 0 HA ARG A 61 2.595 4.979 20.216 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.416 2.551 20.455 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.352 3.111 21.730 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.396 2.276 18.968 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.442 1.206 20.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.941 2.794 21.592 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.853 3.796 20.157 1.00 0.00 H new ATOM 0 HE ARG A 61 0.112 1.174 19.372 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.020 3.751 21.504 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.719 3.294 21.344 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.074 0.596 19.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.313 1.517 20.030 1.00 0.00 H new ATOM 1110 N MET A 62 5.860 5.198 20.443 1.00 0.00 N ATOM 1111 CA MET A 62 6.949 5.911 21.103 1.00 0.00 C ATOM 1112 C MET A 62 6.679 7.412 21.136 1.00 0.00 C ATOM 1113 O MET A 62 6.787 8.047 22.184 1.00 0.00 O ATOM 1114 CB MET A 62 8.275 5.640 20.392 1.00 0.00 C ATOM 1115 CG MET A 62 8.485 4.179 20.032 1.00 0.00 C ATOM 1116 SD MET A 62 10.156 3.839 19.443 1.00 0.00 S ATOM 1117 CE MET A 62 11.108 4.144 20.930 1.00 0.00 C ATOM 0 H MET A 62 6.148 4.640 19.639 1.00 0.00 H new ATOM 0 HA MET A 62 7.013 5.547 22.128 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.319 6.239 19.483 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.094 5.969 21.031 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.280 3.561 20.906 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.768 3.892 19.263 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.789 3.310 21.104 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.682 5.063 20.812 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.433 4.244 21.780 1.00 0.00 H new ATOM 1127 N LYS A 63 6.333 7.972 19.981 1.00 0.00 N ATOM 1128 CA LYS A 63 6.048 9.400 19.879 1.00 0.00 C ATOM 1129 C LYS A 63 4.902 9.791 20.807 1.00 0.00 C ATOM 1130 O LYS A 63 4.906 10.872 21.396 1.00 0.00 O ATOM 1131 CB LYS A 63 5.705 9.775 18.436 1.00 0.00 C ATOM 1132 CG LYS A 63 4.420 9.139 17.932 1.00 0.00 C ATOM 1133 CD LYS A 63 4.022 9.677 16.568 1.00 0.00 C ATOM 1134 CE LYS A 63 2.662 9.150 16.145 1.00 0.00 C ATOM 1135 NZ LYS A 63 2.262 9.659 14.804 1.00 0.00 N ATOM 0 H LYS A 63 6.243 7.460 19.103 1.00 0.00 H new ATOM 0 HA LYS A 63 6.941 9.946 20.182 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.618 10.859 18.362 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.528 9.476 17.786 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.548 8.058 17.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.617 9.327 18.645 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.000 10.766 16.596 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.771 9.392 15.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.684 8.060 16.128 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.914 9.442 16.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.328 9.276 14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.216 10.698 14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.962 9.359 14.096 1.00 0.00 H new ATOM 1149 N MET A 64 3.920 8.901 20.934 1.00 0.00 N ATOM 1150 CA MET A 64 2.768 9.150 21.790 1.00 0.00 C ATOM 1151 C MET A 64 3.125 8.931 23.258 1.00 0.00 C ATOM 1152 O MET A 64 2.406 9.370 24.156 1.00 0.00 O ATOM 1153 CB MET A 64 1.604 8.236 21.398 1.00 0.00 C ATOM 1154 CG MET A 64 1.047 8.512 20.011 1.00 0.00 C ATOM 1155 SD MET A 64 -0.357 7.454 19.609 1.00 0.00 S ATOM 1156 CE MET A 64 -0.789 8.061 17.980 1.00 0.00 C ATOM 0 H MET A 64 3.901 8.001 20.454 1.00 0.00 H new ATOM 0 HA MET A 64 2.467 10.189 21.656 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.937 7.199 21.446 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.804 8.348 22.130 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.741 9.556 19.947 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.833 8.364 19.271 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.643 7.502 17.598 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.046 9.119 18.042 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.059 7.932 17.307 1.00 0.00 H new ATOM 1166 N LYS A 65 4.242 8.248 23.490 1.00 0.00 N ATOM 1167 CA LYS A 65 4.700 7.962 24.846 1.00 0.00 C ATOM 1168 C LYS A 65 5.488 9.133 25.423 1.00 0.00 C ATOM 1169 O LYS A 65 5.808 9.149 26.612 1.00 0.00 O ATOM 1170 CB LYS A 65 5.563 6.697 24.859 1.00 0.00 C ATOM 1171 CG LYS A 65 4.758 5.406 24.848 1.00 0.00 C ATOM 1172 CD LYS A 65 4.021 5.197 26.161 1.00 0.00 C ATOM 1173 CE LYS A 65 3.196 3.921 26.145 1.00 0.00 C ATOM 1174 NZ LYS A 65 2.519 3.682 27.451 1.00 0.00 N ATOM 0 H LYS A 65 4.848 7.882 22.755 1.00 0.00 H new ATOM 0 HA LYS A 65 3.820 7.804 25.469 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.224 6.710 23.992 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.199 6.711 25.744 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.041 5.430 24.027 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.424 4.563 24.665 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.740 5.155 26.979 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.369 6.049 26.352 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.448 3.982 25.354 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.841 3.074 25.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.966 2.802 27.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.233 3.599 28.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.884 4.478 27.664 1.00 0.00 H new ATOM 1188 N LYS A 66 5.797 10.113 24.580 1.00 0.00 N ATOM 1189 CA LYS A 66 6.549 11.285 25.018 1.00 0.00 C ATOM 1190 C LYS A 66 5.609 12.434 25.369 1.00 0.00 C ATOM 1191 O LYS A 66 5.874 13.205 26.291 1.00 0.00 O ATOM 1192 CB LYS A 66 7.528 11.726 23.928 1.00 0.00 C ATOM 1193 CG LYS A 66 8.444 12.863 24.357 1.00 0.00 C ATOM 1194 CD LYS A 66 9.297 13.366 23.202 1.00 0.00 C ATOM 1195 CE LYS A 66 10.475 12.443 22.922 1.00 0.00 C ATOM 1196 NZ LYS A 66 10.044 11.147 22.327 1.00 0.00 N ATOM 0 H LYS A 66 5.540 10.120 23.593 1.00 0.00 H new ATOM 0 HA LYS A 66 7.110 11.012 25.912 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.137 10.872 23.631 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.964 12.037 23.049 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.845 13.684 24.751 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.091 12.524 25.166 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.682 13.451 22.306 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.666 14.366 23.432 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.170 12.939 22.244 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.015 12.253 23.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.724 10.857 21.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.004 10.420 23.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.102 11.257 21.899 1.00 0.00 H new ATOM 1210 N MET A 67 4.507 12.537 24.630 1.00 0.00 N ATOM 1211 CA MET A 67 3.523 13.589 24.860 1.00 0.00 C ATOM 1212 C MET A 67 2.236 13.304 24.093 1.00 0.00 C ATOM 1213 O MET A 67 2.067 12.225 23.524 1.00 0.00 O ATOM 1214 CB MET A 67 4.091 14.947 24.441 1.00 0.00 C ATOM 1215 CG MET A 67 4.540 14.996 22.990 1.00 0.00 C ATOM 1216 SD MET A 67 5.191 16.611 22.515 1.00 0.00 S ATOM 1217 CE MET A 67 3.751 17.647 22.769 1.00 0.00 C ATOM 0 H MET A 67 4.274 11.903 23.866 1.00 0.00 H new ATOM 0 HA MET A 67 3.293 13.613 25.925 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.334 15.714 24.605 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.937 15.192 25.083 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.306 14.238 22.825 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.698 14.744 22.345 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.856 18.564 22.189 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.857 17.113 22.446 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.663 17.895 23.827 1.00 0.00 H new ATOM 1227 N ASN A 68 1.328 14.277 24.084 1.00 0.00 N ATOM 1228 CA ASN A 68 0.056 14.129 23.387 1.00 0.00 C ATOM 1229 C ASN A 68 0.195 14.502 21.914 1.00 0.00 C ATOM 1230 O ASN A 68 0.466 13.596 21.098 1.00 0.00 O ATOM 1231 CB ASN A 68 -1.017 14.998 24.048 1.00 0.00 C ATOM 1232 CG ASN A 68 -1.261 14.616 25.495 1.00 0.00 C ATOM 1233 OD1 ASN A 68 -1.108 13.456 25.878 1.00 0.00 O ATOM 1234 ND2 ASN A 68 -1.643 15.594 26.309 1.00 0.00 N ATOM 1235 OXT ASN A 68 0.031 15.697 21.588 1.00 0.00 O ATOM 0 H ASN A 68 1.451 15.175 24.552 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.245 13.083 23.451 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.715 16.044 23.997 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.949 14.908 23.489 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.822 15.397 27.294 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.758 16.542 25.949 1.00 0.00 H new TER 1242 ASN A 68