USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 55 THR OG1 : rot -170:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl -134:sc= -1.6 (180deg=-8.15!) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0749 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.779 K(o=0.78,f=-0.0055) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0596) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 67:sc= 0.727 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 0.716 K(o=0.72,f=-3.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 118:sc= 1.19 USER MOD Single : A 32 THR OG1 : rot -99:sc= 0.662 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.5) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.4) USER MOD Single : A 52 SER OG : rot -33:sc= 0.725 USER MOD Single : A 53 HIS : no HE2:sc= -0.599 K(o=-0.6,f=-4.7!) USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00665 USER MOD Single : A 60 ASN : amide:sc= 0.478 K(o=0.48,f=-3.2!) USER MOD Single : A 61 TYR OH : rot 130:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= 0.417 USER MOD Single : A 67 THR OG1 : rot -21:sc= 0.0207 USER MOD Single : A 70 LYS NZ :NH3+ 140:sc= 0.373 (180deg=0.00587) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -93:sc= 0.13 USER MOD Single : A 82 HIS : no HE2:sc= -0.174 X(o=-0.17,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.526 -25.798 -8.957 1.00 0.00 N ATOM 2 CA GLY A 1 -9.937 -24.593 -8.237 1.00 0.00 C ATOM 3 C GLY A 1 -8.907 -23.503 -8.453 1.00 0.00 C ATOM 4 O GLY A 1 -7.719 -23.795 -8.604 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.634 -26.626 -8.337 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.121 -25.918 -9.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.531 -25.708 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.914 -24.261 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.038 -24.808 -7.173 1.00 0.00 H new ATOM 8 N ALA A 2 -9.371 -22.257 -8.543 1.00 0.00 N ATOM 9 CA ALA A 2 -8.545 -21.112 -8.882 1.00 0.00 C ATOM 10 C ALA A 2 -8.023 -20.439 -7.617 1.00 0.00 C ATOM 11 O ALA A 2 -8.692 -20.439 -6.580 1.00 0.00 O ATOM 12 CB ALA A 2 -9.389 -20.107 -9.669 1.00 0.00 C ATOM 0 H ALA A 2 -10.349 -22.017 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.698 -21.449 -9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.778 -19.243 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.759 -20.577 -10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.233 -19.784 -9.059 1.00 0.00 H new ATOM 18 N ALA A 3 -6.870 -19.784 -7.736 1.00 0.00 N ATOM 19 CA ALA A 3 -6.374 -18.855 -6.738 1.00 0.00 C ATOM 20 C ALA A 3 -5.469 -17.831 -7.410 1.00 0.00 C ATOM 21 O ALA A 3 -4.253 -18.027 -7.482 1.00 0.00 O ATOM 22 CB ALA A 3 -5.635 -19.602 -5.624 1.00 0.00 C ATOM 0 H ALA A 3 -6.251 -19.889 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.214 -18.334 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.271 -18.887 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.316 -20.305 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.791 -20.146 -6.048 1.00 0.00 H new ATOM 28 N GLY A 4 -6.040 -16.735 -7.893 1.00 0.00 N ATOM 29 CA GLY A 4 -5.310 -15.496 -8.047 1.00 0.00 C ATOM 30 C GLY A 4 -5.550 -14.620 -6.838 1.00 0.00 C ATOM 31 O GLY A 4 -6.137 -15.028 -5.831 1.00 0.00 O ATOM 0 H GLY A 4 -7.016 -16.686 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.245 -15.700 -8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.631 -14.981 -8.953 1.00 0.00 H new ATOM 35 N ILE A 5 -5.059 -13.401 -6.960 1.00 0.00 N ATOM 36 CA ILE A 5 -4.995 -12.415 -5.898 1.00 0.00 C ATOM 37 C ILE A 5 -6.369 -11.897 -5.471 1.00 0.00 C ATOM 38 O ILE A 5 -6.471 -11.214 -4.456 1.00 0.00 O ATOM 39 CB ILE A 5 -4.077 -11.262 -6.356 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.610 -10.466 -7.565 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.662 -11.806 -6.633 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.747 -9.237 -7.887 1.00 0.00 C ATOM 0 H ILE A 5 -4.677 -13.056 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.583 -12.896 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.050 -10.544 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.647 -11.118 -8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.632 -10.145 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.015 -10.990 -6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.258 -12.250 -5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.710 -12.563 -7.416 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.166 -8.713 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.731 -8.568 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.731 -9.556 -8.118 1.00 0.00 H new ATOM 54 N ASP A 6 -7.417 -12.191 -6.240 1.00 0.00 N ATOM 55 CA ASP A 6 -8.739 -11.587 -6.113 1.00 0.00 C ATOM 56 C ASP A 6 -9.361 -11.830 -4.740 1.00 0.00 C ATOM 57 O ASP A 6 -10.000 -10.936 -4.201 1.00 0.00 O ATOM 58 CB ASP A 6 -9.623 -12.129 -7.231 1.00 0.00 C ATOM 59 CG ASP A 6 -10.842 -11.248 -7.475 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.676 -10.211 -8.167 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.964 -11.624 -7.073 1.00 0.00 O ATOM 0 H ASP A 6 -7.365 -12.878 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.645 -10.505 -6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.041 -12.204 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.950 -13.138 -6.978 1.00 0.00 H new ATOM 66 N GLN A 7 -9.068 -12.981 -4.129 1.00 0.00 N ATOM 67 CA GLN A 7 -9.460 -13.342 -2.768 1.00 0.00 C ATOM 68 C GLN A 7 -8.997 -12.333 -1.706 1.00 0.00 C ATOM 69 O GLN A 7 -9.625 -12.216 -0.649 1.00 0.00 O ATOM 70 CB GLN A 7 -8.895 -14.741 -2.468 1.00 0.00 C ATOM 71 CG GLN A 7 -7.360 -14.768 -2.359 1.00 0.00 C ATOM 72 CD GLN A 7 -6.816 -16.187 -2.406 1.00 0.00 C ATOM 73 OE1 GLN A 7 -6.974 -16.959 -1.466 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.204 -16.584 -3.510 1.00 0.00 N ATOM 0 H GLN A 7 -8.530 -13.715 -4.589 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.549 -13.335 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.325 -15.106 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.208 -15.428 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.927 -14.186 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.053 -14.292 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.078 -15.933 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.858 -17.541 -3.586 1.00 0.00 H new ATOM 83 N TYR A 8 -7.876 -11.651 -1.950 1.00 0.00 N ATOM 84 CA TYR A 8 -7.312 -10.662 -1.045 1.00 0.00 C ATOM 85 C TYR A 8 -7.708 -9.248 -1.472 1.00 0.00 C ATOM 86 O TYR A 8 -7.251 -8.306 -0.826 1.00 0.00 O ATOM 87 CB TYR A 8 -5.779 -10.794 -1.006 1.00 0.00 C ATOM 88 CG TYR A 8 -5.252 -12.186 -0.735 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.430 -12.790 0.523 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.607 -12.890 -1.766 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.976 -14.102 0.754 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.156 -14.199 -1.541 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.323 -14.813 -0.279 1.00 0.00 C ATOM 94 OH TYR A 8 -3.882 -16.085 -0.079 1.00 0.00 O ATOM 0 H TYR A 8 -7.328 -11.777 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.710 -10.843 -0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.378 -10.452 -1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.393 -10.123 -0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.918 -12.244 1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.459 -12.424 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.126 -14.565 1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.676 -14.744 -2.341 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.459 -16.417 -0.898 1.00 0.00 H new ATOM 104 N ALA A 9 -8.455 -9.069 -2.575 1.00 0.00 N ATOM 105 CA ALA A 9 -8.883 -7.760 -3.047 1.00 0.00 C ATOM 106 C ALA A 9 -9.881 -7.194 -2.044 1.00 0.00 C ATOM 107 O ALA A 9 -11.071 -7.517 -2.066 1.00 0.00 O ATOM 108 CB ALA A 9 -9.488 -7.845 -4.452 1.00 0.00 C ATOM 0 H ALA A 9 -8.776 -9.840 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.022 -7.096 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.798 -6.851 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.744 -8.237 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.354 -8.507 -4.436 1.00 0.00 H new ATOM 114 N LEU A 10 -9.385 -6.367 -1.136 1.00 0.00 N ATOM 115 CA LEU A 10 -10.193 -5.711 -0.133 1.00 0.00 C ATOM 116 C LEU A 10 -10.804 -4.485 -0.787 1.00 0.00 C ATOM 117 O LEU A 10 -10.132 -3.796 -1.557 1.00 0.00 O ATOM 118 CB LEU A 10 -9.300 -5.302 1.041 1.00 0.00 C ATOM 119 CG LEU A 10 -8.774 -6.466 1.901 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.842 -5.904 2.973 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.898 -7.248 2.583 1.00 0.00 C ATOM 0 H LEU A 10 -8.394 -6.133 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.976 -6.368 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.448 -4.745 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.860 -4.621 1.683 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.250 -7.155 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.463 -6.719 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.007 -5.391 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.390 -5.201 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.471 -8.057 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.463 -6.580 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.562 -7.665 1.826 1.00 0.00 H new ATOM 133 N LYS A 11 -12.067 -4.189 -0.485 1.00 0.00 N ATOM 134 CA LYS A 11 -12.667 -2.909 -0.868 1.00 0.00 C ATOM 135 C LYS A 11 -12.347 -1.826 0.162 1.00 0.00 C ATOM 136 O LYS A 11 -12.462 -0.638 -0.138 1.00 0.00 O ATOM 137 CB LYS A 11 -14.184 -3.031 -1.082 1.00 0.00 C ATOM 138 CG LYS A 11 -14.875 -3.668 0.123 1.00 0.00 C ATOM 139 CD LYS A 11 -16.383 -3.415 0.180 1.00 0.00 C ATOM 140 CE LYS A 11 -17.061 -4.279 1.244 1.00 0.00 C ATOM 141 NZ LYS A 11 -17.116 -5.718 0.899 1.00 0.00 N ATOM 0 H LYS A 11 -12.694 -4.814 0.022 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.226 -2.616 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.607 -2.043 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.379 -3.629 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.698 -4.743 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.418 -3.285 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.568 -2.362 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.824 -3.624 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.529 -4.161 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.076 -3.914 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.704 -6.220 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.528 -5.832 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.154 -6.114 0.908 1.00 0.00 H new ATOM 155 N GLU A 12 -11.985 -2.227 1.377 1.00 0.00 N ATOM 156 CA GLU A 12 -11.870 -1.368 2.535 1.00 0.00 C ATOM 157 C GLU A 12 -10.940 -2.020 3.541 1.00 0.00 C ATOM 158 O GLU A 12 -10.694 -3.225 3.469 1.00 0.00 O ATOM 159 CB GLU A 12 -13.259 -1.143 3.152 1.00 0.00 C ATOM 160 CG GLU A 12 -13.892 -2.417 3.745 1.00 0.00 C ATOM 161 CD GLU A 12 -15.418 -2.370 3.867 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.043 -1.313 3.616 1.00 0.00 O ATOM 163 OE2 GLU A 12 -15.999 -3.416 4.231 1.00 0.00 O ATOM 0 H GLU A 12 -11.756 -3.200 1.582 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.461 -0.400 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.180 -0.390 3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.924 -0.740 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.616 -3.268 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.466 -2.593 4.733 1.00 0.00 H new ATOM 170 N PHE A 13 -10.448 -1.227 4.485 1.00 0.00 N ATOM 171 CA PHE A 13 -9.670 -1.691 5.626 1.00 0.00 C ATOM 172 C PHE A 13 -9.768 -0.649 6.741 1.00 0.00 C ATOM 173 O PHE A 13 -10.339 0.429 6.544 1.00 0.00 O ATOM 174 CB PHE A 13 -8.203 -1.945 5.226 1.00 0.00 C ATOM 175 CG PHE A 13 -7.420 -0.718 4.785 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.598 -0.189 3.493 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.513 -0.099 5.667 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.878 0.947 3.083 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.808 1.048 5.262 1.00 0.00 C ATOM 180 CZ PHE A 13 -5.985 1.570 3.970 1.00 0.00 C ATOM 0 H PHE A 13 -10.583 -0.216 4.477 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.072 -2.640 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.687 -2.398 6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.187 -2.674 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.292 -0.659 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.359 -0.506 6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.012 1.340 2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.127 1.530 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.436 2.447 3.660 1.00 0.00 H new ATOM 190 N THR A 14 -9.153 -0.948 7.884 1.00 0.00 N ATOM 191 CA THR A 14 -8.963 0.002 8.969 1.00 0.00 C ATOM 192 C THR A 14 -7.471 -0.005 9.300 1.00 0.00 C ATOM 193 O THR A 14 -6.864 -1.071 9.432 1.00 0.00 O ATOM 194 CB THR A 14 -9.828 -0.360 10.194 1.00 0.00 C ATOM 195 OG1 THR A 14 -11.088 -0.895 9.812 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.072 0.855 11.097 1.00 0.00 C ATOM 0 H THR A 14 -8.768 -1.872 8.081 1.00 0.00 H new ATOM 0 HA THR A 14 -9.282 1.001 8.673 1.00 0.00 H new ATOM 0 HB THR A 14 -9.265 -1.115 10.744 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.607 -1.114 10.614 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.685 0.559 11.948 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.117 1.240 11.454 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.588 1.631 10.531 1.00 0.00 H new ATOM 204 N ALA A 15 -6.868 1.172 9.422 1.00 0.00 N ATOM 205 CA ALA A 15 -5.545 1.368 9.991 1.00 0.00 C ATOM 206 C ALA A 15 -5.631 2.642 10.814 1.00 0.00 C ATOM 207 O ALA A 15 -6.445 3.505 10.504 1.00 0.00 O ATOM 208 CB ALA A 15 -4.494 1.482 8.884 1.00 0.00 C ATOM 0 H ALA A 15 -7.303 2.043 9.117 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.241 0.525 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.510 1.628 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.491 0.568 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.732 2.331 8.243 1.00 0.00 H new ATOM 214 N ASP A 16 -4.800 2.814 11.841 1.00 0.00 N ATOM 215 CA ASP A 16 -4.785 4.064 12.617 1.00 0.00 C ATOM 216 C ASP A 16 -6.146 4.380 13.259 1.00 0.00 C ATOM 217 O ASP A 16 -6.510 5.541 13.455 1.00 0.00 O ATOM 218 CB ASP A 16 -4.283 5.218 11.713 1.00 0.00 C ATOM 219 CG ASP A 16 -3.013 5.864 12.244 1.00 0.00 C ATOM 220 OD1 ASP A 16 -3.116 6.704 13.158 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.939 5.534 11.682 1.00 0.00 O ATOM 0 H ASP A 16 -4.131 2.112 12.157 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.096 3.943 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.100 4.835 10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.063 5.974 11.628 1.00 0.00 H new ATOM 226 N PHE A 17 -6.945 3.343 13.534 1.00 0.00 N ATOM 227 CA PHE A 17 -8.339 3.428 13.994 1.00 0.00 C ATOM 228 C PHE A 17 -9.245 4.206 13.028 1.00 0.00 C ATOM 229 O PHE A 17 -10.373 4.560 13.374 1.00 0.00 O ATOM 230 CB PHE A 17 -8.425 3.996 15.427 1.00 0.00 C ATOM 231 CG PHE A 17 -7.323 3.547 16.365 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.365 2.272 16.957 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.226 4.395 16.607 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.312 1.844 17.781 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.170 3.964 17.424 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.209 2.688 18.006 1.00 0.00 C ATOM 0 H PHE A 17 -6.626 2.379 13.438 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.718 2.406 14.011 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.412 5.084 15.371 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.385 3.711 15.857 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.208 1.621 16.778 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.197 5.379 16.163 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.349 0.868 18.242 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.327 4.614 17.605 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.392 2.353 18.627 1.00 0.00 H new ATOM 246 N THR A 18 -8.773 4.432 11.811 1.00 0.00 N ATOM 247 CA THR A 18 -9.372 5.213 10.746 1.00 0.00 C ATOM 248 C THR A 18 -9.767 4.208 9.665 1.00 0.00 C ATOM 249 O THR A 18 -9.018 3.264 9.394 1.00 0.00 O ATOM 250 CB THR A 18 -8.318 6.219 10.248 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.790 6.981 11.327 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.879 7.182 9.201 1.00 0.00 C ATOM 0 H THR A 18 -7.879 4.036 11.521 1.00 0.00 H new ATOM 0 HA THR A 18 -10.249 5.781 11.056 1.00 0.00 H new ATOM 0 HB THR A 18 -7.529 5.625 9.787 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.274 6.395 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.096 7.870 8.883 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.236 6.616 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.705 7.747 9.632 1.00 0.00 H new ATOM 260 N GLN A 19 -10.952 4.360 9.083 1.00 0.00 N ATOM 261 CA GLN A 19 -11.444 3.444 8.074 1.00 0.00 C ATOM 262 C GLN A 19 -11.207 4.038 6.690 1.00 0.00 C ATOM 263 O GLN A 19 -11.130 5.260 6.529 1.00 0.00 O ATOM 264 CB GLN A 19 -12.917 3.152 8.359 1.00 0.00 C ATOM 265 CG GLN A 19 -13.366 1.925 7.568 1.00 0.00 C ATOM 266 CD GLN A 19 -14.672 1.386 8.111 1.00 0.00 C ATOM 267 OE1 GLN A 19 -15.686 2.084 8.128 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.672 0.148 8.573 1.00 0.00 N ATOM 0 H GLN A 19 -11.594 5.122 9.301 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.909 2.495 8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.063 2.981 9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.527 4.014 8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.484 2.187 6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.599 1.152 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.816 -0.407 8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.528 -0.253 8.957 1.00 0.00 H new ATOM 277 N PHE A 20 -11.095 3.170 5.689 1.00 0.00 N ATOM 278 CA PHE A 20 -10.614 3.536 4.366 1.00 0.00 C ATOM 279 C PHE A 20 -11.259 2.651 3.318 1.00 0.00 C ATOM 280 O PHE A 20 -11.581 1.501 3.611 1.00 0.00 O ATOM 281 CB PHE A 20 -9.103 3.318 4.313 1.00 0.00 C ATOM 282 CG PHE A 20 -8.293 4.218 5.221 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.181 5.590 4.932 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.669 3.691 6.366 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.424 6.429 5.764 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.900 4.529 7.193 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.772 5.896 6.889 1.00 0.00 C ATOM 0 H PHE A 20 -11.339 2.183 5.777 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.862 4.579 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.892 2.281 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.766 3.465 3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.680 6.000 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.780 2.645 6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.343 7.482 5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.407 4.122 8.063 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.173 6.536 7.520 1.00 0.00 H new ATOM 297 N HIS A 21 -11.378 3.156 2.088 1.00 0.00 N ATOM 298 CA HIS A 21 -12.066 2.473 0.996 1.00 0.00 C ATOM 299 C HIS A 21 -11.322 2.745 -0.309 1.00 0.00 C ATOM 300 O HIS A 21 -10.461 3.630 -0.345 1.00 0.00 O ATOM 301 CB HIS A 21 -13.518 2.969 0.894 1.00 0.00 C ATOM 302 CG HIS A 21 -14.222 3.099 2.221 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.124 4.178 3.072 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.021 2.164 2.818 1.00 0.00 C ATOM 305 CE1 HIS A 21 -14.841 3.900 4.171 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.412 2.687 4.056 1.00 0.00 N ATOM 0 H HIS A 21 -10.994 4.062 1.822 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.082 1.400 1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.525 3.938 0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.081 2.282 0.263 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.600 5.035 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.298 1.203 2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.945 4.554 5.024 1.00 0.00 H new ATOM 314 N ILE A 22 -11.658 2.033 -1.391 1.00 0.00 N ATOM 315 CA ILE A 22 -11.133 2.331 -2.725 1.00 0.00 C ATOM 316 C ILE A 22 -11.657 3.702 -3.144 1.00 0.00 C ATOM 317 O ILE A 22 -12.741 3.832 -3.710 1.00 0.00 O ATOM 318 CB ILE A 22 -11.480 1.255 -3.781 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.189 -0.180 -3.320 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.727 1.550 -5.091 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.781 -0.439 -2.777 1.00 0.00 C ATOM 0 H ILE A 22 -12.298 1.239 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.044 2.332 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.557 1.312 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.910 -0.445 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.362 -0.852 -4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.974 0.790 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.020 2.531 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.653 1.539 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.691 -1.485 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.046 -0.215 -3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.602 0.198 -1.911 1.00 0.00 H new ATOM 333 N GLY A 23 -10.876 4.735 -2.873 1.00 0.00 N ATOM 334 CA GLY A 23 -11.202 6.114 -3.194 1.00 0.00 C ATOM 335 C GLY A 23 -11.009 7.084 -2.040 1.00 0.00 C ATOM 336 O GLY A 23 -10.986 8.283 -2.298 1.00 0.00 O ATOM 0 H GLY A 23 -9.972 4.634 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.584 6.436 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.239 6.163 -3.526 1.00 0.00 H new ATOM 340 N ASP A 24 -10.827 6.609 -0.807 1.00 0.00 N ATOM 341 CA ASP A 24 -10.349 7.469 0.276 1.00 0.00 C ATOM 342 C ASP A 24 -8.908 7.902 -0.048 1.00 0.00 C ATOM 343 O ASP A 24 -8.305 7.438 -1.023 1.00 0.00 O ATOM 344 CB ASP A 24 -10.451 6.735 1.628 1.00 0.00 C ATOM 345 CG ASP A 24 -11.766 6.991 2.363 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.801 6.425 1.941 1.00 0.00 O ATOM 347 OD2 ASP A 24 -11.740 7.692 3.405 1.00 0.00 O ATOM 0 H ASP A 24 -11.002 5.642 -0.535 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.969 8.362 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.340 5.664 1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.622 7.045 2.264 1.00 0.00 H new ATOM 352 N THR A 25 -8.316 8.758 0.778 1.00 0.00 N ATOM 353 CA THR A 25 -6.969 9.267 0.609 1.00 0.00 C ATOM 354 C THR A 25 -6.269 9.193 1.967 1.00 0.00 C ATOM 355 O THR A 25 -6.853 9.508 3.007 1.00 0.00 O ATOM 356 CB THR A 25 -7.019 10.713 0.095 1.00 0.00 C ATOM 357 OG1 THR A 25 -8.194 11.039 -0.629 1.00 0.00 O ATOM 358 CG2 THR A 25 -5.917 11.020 -0.893 1.00 0.00 C ATOM 0 H THR A 25 -8.780 9.126 1.609 1.00 0.00 H new ATOM 0 HA THR A 25 -6.419 8.675 -0.122 1.00 0.00 H new ATOM 0 HB THR A 25 -6.944 11.282 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.150 11.974 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.002 12.056 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.948 10.869 -0.416 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.005 10.357 -1.754 1.00 0.00 H new ATOM 366 N VAL A 26 -5.010 8.782 1.969 1.00 0.00 N ATOM 367 CA VAL A 26 -4.294 8.423 3.198 1.00 0.00 C ATOM 368 C VAL A 26 -3.761 9.695 3.873 1.00 0.00 C ATOM 369 O VAL A 26 -3.604 10.721 3.199 1.00 0.00 O ATOM 370 CB VAL A 26 -3.192 7.375 2.930 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.802 6.154 2.229 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.972 7.895 2.160 1.00 0.00 C ATOM 0 H VAL A 26 -4.450 8.686 1.122 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.987 7.945 3.890 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.799 7.098 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.023 5.416 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.571 5.716 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.246 6.462 1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.256 7.085 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.289 8.269 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.503 8.702 2.723 1.00 0.00 H new ATOM 382 N PRO A 27 -3.480 9.678 5.187 1.00 0.00 N ATOM 383 CA PRO A 27 -2.721 10.735 5.841 1.00 0.00 C ATOM 384 C PRO A 27 -1.248 10.679 5.425 1.00 0.00 C ATOM 385 O PRO A 27 -0.727 9.605 5.111 1.00 0.00 O ATOM 386 CB PRO A 27 -2.866 10.447 7.338 1.00 0.00 C ATOM 387 CG PRO A 27 -3.019 8.935 7.399 1.00 0.00 C ATOM 388 CD PRO A 27 -3.809 8.626 6.135 1.00 0.00 C ATOM 0 HA PRO A 27 -3.082 11.728 5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.993 10.784 7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.732 10.955 7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.053 8.430 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.551 8.618 8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.542 7.646 5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.879 8.606 6.339 1.00 0.00 H new ATOM 396 N ALA A 28 -0.547 11.810 5.567 1.00 0.00 N ATOM 397 CA ALA A 28 0.865 11.954 5.223 1.00 0.00 C ATOM 398 C ALA A 28 1.759 10.978 5.996 1.00 0.00 C ATOM 399 O ALA A 28 2.867 10.679 5.557 1.00 0.00 O ATOM 400 CB ALA A 28 1.316 13.395 5.477 1.00 0.00 C ATOM 0 H ALA A 28 -0.959 12.668 5.933 1.00 0.00 H new ATOM 0 HA ALA A 28 0.969 11.714 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.370 13.497 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.725 14.075 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.175 13.640 6.530 1.00 0.00 H new ATOM 406 N MET A 29 1.264 10.443 7.116 1.00 0.00 N ATOM 407 CA MET A 29 1.964 9.494 7.970 1.00 0.00 C ATOM 408 C MET A 29 2.503 8.306 7.176 1.00 0.00 C ATOM 409 O MET A 29 3.588 7.799 7.475 1.00 0.00 O ATOM 410 CB MET A 29 1.049 8.995 9.105 1.00 0.00 C ATOM 411 CG MET A 29 0.319 10.116 9.852 1.00 0.00 C ATOM 412 SD MET A 29 0.266 9.949 11.660 1.00 0.00 S ATOM 413 CE MET A 29 -0.708 8.429 11.840 1.00 0.00 C ATOM 0 H MET A 29 0.331 10.670 7.460 1.00 0.00 H new ATOM 0 HA MET A 29 2.812 10.023 8.405 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.311 8.309 8.689 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.647 8.427 9.817 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.798 11.064 9.606 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.704 10.170 9.480 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.826 8.196 12.898 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.690 8.570 11.388 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.194 7.607 11.343 1.00 0.00 H new ATOM 423 N TYR A 30 1.756 7.869 6.162 1.00 0.00 N ATOM 424 CA TYR A 30 2.122 6.695 5.371 1.00 0.00 C ATOM 425 C TYR A 30 2.842 7.032 4.068 1.00 0.00 C ATOM 426 O TYR A 30 3.318 6.125 3.390 1.00 0.00 O ATOM 427 CB TYR A 30 0.871 5.894 5.053 1.00 0.00 C ATOM 428 CG TYR A 30 0.144 5.389 6.277 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.696 4.336 7.028 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.074 5.972 6.667 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.024 3.859 8.165 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.749 5.507 7.810 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.202 4.438 8.555 1.00 0.00 C ATOM 434 OH TYR A 30 -1.857 3.946 9.636 1.00 0.00 O ATOM 0 H TYR A 30 0.887 8.315 5.868 1.00 0.00 H new ATOM 0 HA TYR A 30 2.821 6.119 5.977 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.192 6.515 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.144 5.044 4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.636 3.895 6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.493 6.780 6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.446 3.049 8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.679 5.964 8.116 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.922 4.641 10.324 1.00 0.00 H new ATOM 444 N LEU A 31 2.934 8.311 3.700 1.00 0.00 N ATOM 445 CA LEU A 31 3.699 8.723 2.525 1.00 0.00 C ATOM 446 C LEU A 31 5.192 8.614 2.806 1.00 0.00 C ATOM 447 O LEU A 31 5.985 8.591 1.870 1.00 0.00 O ATOM 448 CB LEU A 31 3.368 10.171 2.134 1.00 0.00 C ATOM 449 CG LEU A 31 2.075 10.374 1.331 1.00 0.00 C ATOM 450 CD1 LEU A 31 2.201 9.859 -0.106 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.836 9.725 1.950 1.00 0.00 C ATOM 0 H LEU A 31 2.487 9.079 4.200 1.00 0.00 H new ATOM 0 HA LEU A 31 3.428 8.062 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.304 10.766 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.200 10.568 1.552 1.00 0.00 H new ATOM 0 HG LEU A 31 1.937 11.455 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.262 10.024 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.003 10.393 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.427 8.793 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.030 9.918 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.992 8.649 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.662 10.144 2.941 1.00 0.00 H new ATOM 463 N THR A 32 5.578 8.567 4.078 1.00 0.00 N ATOM 464 CA THR A 32 6.958 8.483 4.529 1.00 0.00 C ATOM 465 C THR A 32 7.685 7.274 3.903 1.00 0.00 C ATOM 466 O THR A 32 7.050 6.283 3.518 1.00 0.00 O ATOM 467 CB THR A 32 6.990 8.440 6.070 1.00 0.00 C ATOM 468 OG1 THR A 32 6.306 7.326 6.573 1.00 0.00 O ATOM 469 CG2 THR A 32 6.295 9.618 6.731 1.00 0.00 C ATOM 0 H THR A 32 4.911 8.587 4.849 1.00 0.00 H new ATOM 0 HA THR A 32 7.496 9.370 4.195 1.00 0.00 H new ATOM 0 HB THR A 32 8.056 8.431 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.404 7.593 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.359 9.517 7.814 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.779 10.545 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.248 9.638 6.430 1.00 0.00 H new ATOM 477 N PRO A 33 9.028 7.298 3.846 1.00 0.00 N ATOM 478 CA PRO A 33 9.825 6.163 3.386 1.00 0.00 C ATOM 479 C PRO A 33 9.738 4.947 4.324 1.00 0.00 C ATOM 480 O PRO A 33 10.156 3.850 3.951 1.00 0.00 O ATOM 481 CB PRO A 33 11.259 6.682 3.280 1.00 0.00 C ATOM 482 CG PRO A 33 11.287 7.864 4.241 1.00 0.00 C ATOM 483 CD PRO A 33 9.884 8.436 4.139 1.00 0.00 C ATOM 0 HA PRO A 33 9.449 5.799 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.983 5.918 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.500 6.988 2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.519 7.549 5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.041 8.597 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.588 8.922 5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.822 9.188 3.353 1.00 0.00 H new ATOM 491 N GLU A 34 9.191 5.110 5.529 1.00 0.00 N ATOM 492 CA GLU A 34 9.096 4.065 6.543 1.00 0.00 C ATOM 493 C GLU A 34 8.191 2.909 6.107 1.00 0.00 C ATOM 494 O GLU A 34 8.322 1.802 6.633 1.00 0.00 O ATOM 495 CB GLU A 34 8.537 4.686 7.829 1.00 0.00 C ATOM 496 CG GLU A 34 9.492 5.681 8.493 1.00 0.00 C ATOM 497 CD GLU A 34 10.689 5.017 9.171 1.00 0.00 C ATOM 498 OE1 GLU A 34 11.641 4.610 8.471 1.00 0.00 O ATOM 499 OE2 GLU A 34 10.716 4.954 10.419 1.00 0.00 O ATOM 0 H GLU A 34 8.791 5.998 5.833 1.00 0.00 H new ATOM 0 HA GLU A 34 10.093 3.655 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.599 5.192 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.305 3.890 8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.853 6.383 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.942 6.262 9.233 1.00 0.00 H new ATOM 506 N TYR A 35 7.287 3.149 5.156 1.00 0.00 N ATOM 507 CA TYR A 35 6.244 2.223 4.708 1.00 0.00 C ATOM 508 C TYR A 35 6.457 1.811 3.242 1.00 0.00 C ATOM 509 O TYR A 35 5.545 1.294 2.603 1.00 0.00 O ATOM 510 CB TYR A 35 4.872 2.881 4.944 1.00 0.00 C ATOM 511 CG TYR A 35 4.605 3.219 6.402 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.060 4.436 6.942 1.00 0.00 C ATOM 513 CD2 TYR A 35 3.943 2.300 7.239 1.00 0.00 C ATOM 514 CE1 TYR A 35 4.898 4.712 8.307 1.00 0.00 C ATOM 515 CE2 TYR A 35 3.718 2.597 8.595 1.00 0.00 C ATOM 516 CZ TYR A 35 4.200 3.808 9.136 1.00 0.00 C ATOM 517 OH TYR A 35 4.019 4.122 10.450 1.00 0.00 O ATOM 0 H TYR A 35 7.260 4.036 4.653 1.00 0.00 H new ATOM 0 HA TYR A 35 6.291 1.299 5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.808 3.793 4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.090 2.212 4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.537 5.162 6.301 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.605 1.357 6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.309 5.619 8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.178 1.901 9.220 1.00 0.00 H new ATOM 0 HH TYR A 35 3.520 3.404 10.892 1.00 0.00 H new ATOM 527 N ASN A 36 7.637 2.096 2.689 1.00 0.00 N ATOM 528 CA ASN A 36 7.950 2.134 1.263 1.00 0.00 C ATOM 529 C ASN A 36 8.411 0.758 0.758 1.00 0.00 C ATOM 530 O ASN A 36 9.615 0.483 0.678 1.00 0.00 O ATOM 531 CB ASN A 36 8.998 3.242 1.077 1.00 0.00 C ATOM 532 CG ASN A 36 9.232 3.673 -0.349 1.00 0.00 C ATOM 533 OD1 ASN A 36 10.245 3.351 -0.961 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.362 4.509 -0.864 1.00 0.00 N ATOM 0 H ASN A 36 8.450 2.320 3.263 1.00 0.00 H new ATOM 0 HA ASN A 36 7.071 2.363 0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.690 4.112 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.944 2.899 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.522 4.905 -1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.526 4.763 -0.338 1.00 0.00 H new ATOM 541 N ILE A 37 7.454 -0.129 0.450 1.00 0.00 N ATOM 542 CA ILE A 37 7.679 -1.529 0.078 1.00 0.00 C ATOM 543 C ILE A 37 8.157 -1.639 -1.374 1.00 0.00 C ATOM 544 O ILE A 37 7.467 -2.124 -2.277 1.00 0.00 O ATOM 545 CB ILE A 37 6.460 -2.439 0.374 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.714 -2.007 1.654 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.972 -3.887 0.498 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.535 -2.913 1.952 1.00 0.00 C ATOM 0 H ILE A 37 6.465 0.121 0.454 1.00 0.00 H new ATOM 0 HA ILE A 37 8.478 -1.905 0.717 1.00 0.00 H new ATOM 0 HB ILE A 37 5.740 -2.357 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.404 -2.019 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.364 -0.981 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.134 -4.552 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.449 -4.186 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.696 -3.949 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.037 -2.575 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.832 -2.881 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.887 -3.935 2.090 1.00 0.00 H new ATOM 560 N LYS A 38 9.398 -1.217 -1.607 1.00 0.00 N ATOM 561 CA LYS A 38 9.998 -1.281 -2.943 1.00 0.00 C ATOM 562 C LYS A 38 10.258 -2.714 -3.389 1.00 0.00 C ATOM 563 O LYS A 38 10.354 -2.928 -4.604 1.00 0.00 O ATOM 564 CB LYS A 38 11.275 -0.432 -3.054 1.00 0.00 C ATOM 565 CG LYS A 38 11.028 1.032 -2.662 1.00 0.00 C ATOM 566 CD LYS A 38 11.604 2.077 -3.627 1.00 0.00 C ATOM 567 CE LYS A 38 10.655 2.355 -4.796 1.00 0.00 C ATOM 568 NZ LYS A 38 11.079 3.546 -5.561 1.00 0.00 N ATOM 0 H LYS A 38 10.010 -0.827 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 38 9.262 -0.852 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.048 -0.854 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.651 -0.475 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.953 1.192 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.453 1.202 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.796 3.004 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.562 1.728 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.624 1.488 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.643 2.504 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.416 3.708 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.085 4.377 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.035 3.392 -5.941 1.00 0.00 H new ATOM 582 N GLN A 39 10.388 -3.676 -2.469 1.00 0.00 N ATOM 583 CA GLN A 39 10.434 -5.096 -2.789 1.00 0.00 C ATOM 584 C GLN A 39 9.006 -5.515 -3.155 1.00 0.00 C ATOM 585 O GLN A 39 8.197 -5.815 -2.276 1.00 0.00 O ATOM 586 CB GLN A 39 10.948 -5.901 -1.580 1.00 0.00 C ATOM 587 CG GLN A 39 12.345 -5.503 -1.073 1.00 0.00 C ATOM 588 CD GLN A 39 12.451 -5.798 0.420 1.00 0.00 C ATOM 589 OE1 GLN A 39 12.123 -4.953 1.253 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.841 -6.997 0.811 1.00 0.00 N ATOM 0 H GLN A 39 10.465 -3.482 -1.471 1.00 0.00 H new ATOM 0 HA GLN A 39 11.115 -5.290 -3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.237 -5.790 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.964 -6.958 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.111 -6.054 -1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.522 -4.443 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.112 -7.696 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.871 -7.225 1.805 1.00 0.00 H new ATOM 599 N TRP A 40 8.650 -5.514 -4.438 1.00 0.00 N ATOM 600 CA TRP A 40 7.329 -5.955 -4.879 1.00 0.00 C ATOM 601 C TRP A 40 7.372 -7.040 -5.932 1.00 0.00 C ATOM 602 O TRP A 40 6.457 -7.853 -5.947 1.00 0.00 O ATOM 603 CB TRP A 40 6.469 -4.798 -5.361 1.00 0.00 C ATOM 604 CG TRP A 40 6.888 -4.121 -6.633 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.592 -2.970 -6.702 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.624 -4.514 -8.020 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.804 -2.636 -8.024 1.00 0.00 N ATOM 608 CE2 TRP A 40 7.287 -3.587 -8.878 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.872 -5.533 -8.653 1.00 0.00 C ATOM 610 CZ2 TRP A 40 7.282 -3.720 -10.273 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.882 -5.689 -10.049 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.597 -4.794 -10.859 1.00 0.00 C ATOM 0 H TRP A 40 9.263 -5.210 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 40 6.870 -6.387 -3.990 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.451 -5.164 -5.492 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.439 -4.047 -4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.936 -2.399 -5.853 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.284 -1.790 -8.331 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.278 -6.204 -8.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.801 -3.002 -10.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.336 -6.503 -10.502 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.620 -4.932 -11.930 1.00 0.00 H new ATOM 623 N GLN A 41 8.434 -7.113 -6.733 1.00 0.00 N ATOM 624 CA GLN A 41 8.691 -8.252 -7.610 1.00 0.00 C ATOM 625 C GLN A 41 8.613 -9.546 -6.791 1.00 0.00 C ATOM 626 O GLN A 41 7.931 -10.491 -7.173 1.00 0.00 O ATOM 627 CB GLN A 41 10.078 -8.071 -8.238 1.00 0.00 C ATOM 628 CG GLN A 41 10.093 -6.958 -9.305 1.00 0.00 C ATOM 629 CD GLN A 41 11.398 -6.165 -9.299 1.00 0.00 C ATOM 630 OE1 GLN A 41 11.389 -4.962 -9.038 1.00 0.00 O ATOM 631 NE2 GLN A 41 12.539 -6.803 -9.485 1.00 0.00 N ATOM 0 H GLN A 41 9.142 -6.381 -6.791 1.00 0.00 H new ATOM 0 HA GLN A 41 7.948 -8.311 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.800 -7.833 -7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.396 -9.010 -8.691 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.944 -7.400 -10.290 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.258 -6.280 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.537 -7.800 -9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.423 -6.299 -9.413 1.00 0.00 H new ATOM 640 N GLN A 42 9.229 -9.509 -5.606 1.00 0.00 N ATOM 641 CA GLN A 42 9.242 -10.534 -4.576 1.00 0.00 C ATOM 642 C GLN A 42 7.871 -11.041 -4.138 1.00 0.00 C ATOM 643 O GLN A 42 7.787 -12.117 -3.552 1.00 0.00 O ATOM 644 CB GLN A 42 9.920 -9.915 -3.341 1.00 0.00 C ATOM 645 CG GLN A 42 11.302 -10.499 -3.115 1.00 0.00 C ATOM 646 CD GLN A 42 11.245 -11.779 -2.292 1.00 0.00 C ATOM 647 OE1 GLN A 42 11.563 -11.765 -1.109 1.00 0.00 O ATOM 648 NE2 GLN A 42 10.840 -12.906 -2.856 1.00 0.00 N ATOM 0 H GLN A 42 9.773 -8.693 -5.327 1.00 0.00 H new ATOM 0 HA GLN A 42 9.760 -11.395 -4.999 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.997 -8.835 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.302 -10.088 -2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.772 -10.705 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.928 -9.766 -2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.575 -12.917 -3.841 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.793 -13.763 -2.306 1.00 0.00 H new ATOM 657 N ARG A 43 6.827 -10.241 -4.314 1.00 0.00 N ATOM 658 CA ARG A 43 5.490 -10.469 -3.787 1.00 0.00 C ATOM 659 C ARG A 43 4.535 -10.652 -4.964 1.00 0.00 C ATOM 660 O ARG A 43 4.927 -10.540 -6.124 1.00 0.00 O ATOM 661 CB ARG A 43 5.131 -9.319 -2.825 1.00 0.00 C ATOM 662 CG ARG A 43 5.828 -9.479 -1.459 1.00 0.00 C ATOM 663 CD ARG A 43 6.221 -8.170 -0.762 1.00 0.00 C ATOM 664 NE ARG A 43 5.058 -7.333 -0.416 1.00 0.00 N ATOM 665 CZ ARG A 43 4.659 -6.212 -1.027 1.00 0.00 C ATOM 666 NH1 ARG A 43 5.371 -5.663 -2.003 1.00 0.00 N ATOM 667 NH2 ARG A 43 3.522 -5.629 -0.674 1.00 0.00 N ATOM 0 H ARG A 43 6.894 -9.377 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 43 5.420 -11.381 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.420 -8.368 -3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.051 -9.289 -2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.168 -10.039 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.726 -10.081 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.779 -8.401 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.889 -7.604 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 43 4.496 -7.643 0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.244 -6.096 -2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.045 -4.808 -2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.949 -6.035 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.220 -4.774 -1.142 1.00 0.00 H new ATOM 681 N ASN A 44 3.266 -10.933 -4.670 1.00 0.00 N ATOM 682 CA ASN A 44 2.296 -11.289 -5.708 1.00 0.00 C ATOM 683 C ASN A 44 1.745 -10.039 -6.396 1.00 0.00 C ATOM 684 O ASN A 44 0.979 -10.133 -7.361 1.00 0.00 O ATOM 685 CB ASN A 44 1.139 -12.087 -5.090 1.00 0.00 C ATOM 686 CG ASN A 44 0.840 -13.370 -5.840 1.00 0.00 C ATOM 687 OD1 ASN A 44 0.085 -13.375 -6.805 1.00 0.00 O ATOM 688 ND2 ASN A 44 1.342 -14.491 -5.351 1.00 0.00 N ATOM 0 H ASN A 44 2.885 -10.921 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 44 2.805 -11.899 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.381 -12.326 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.244 -11.465 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.103 -15.386 -5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.969 -14.461 -4.547 1.00 0.00 H new ATOM 695 N LEU A 45 2.058 -8.865 -5.837 1.00 0.00 N ATOM 696 CA LEU A 45 1.397 -7.626 -6.170 1.00 0.00 C ATOM 697 C LEU A 45 1.666 -7.272 -7.632 1.00 0.00 C ATOM 698 O LEU A 45 2.793 -7.439 -8.104 1.00 0.00 O ATOM 699 CB LEU A 45 1.883 -6.463 -5.285 1.00 0.00 C ATOM 700 CG LEU A 45 1.341 -6.394 -3.848 1.00 0.00 C ATOM 701 CD1 LEU A 45 -0.186 -6.404 -3.754 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.970 -7.420 -2.918 1.00 0.00 C ATOM 0 H LEU A 45 2.789 -8.761 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 45 0.330 -7.770 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.971 -6.511 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.629 -5.529 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 45 1.655 -5.412 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.486 -6.353 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.589 -5.545 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.572 -7.322 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.543 -7.317 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.772 -8.423 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.047 -7.256 -2.871 1.00 0.00 H new ATOM 714 N PRO A 46 0.677 -6.670 -8.306 1.00 0.00 N ATOM 715 CA PRO A 46 0.879 -6.029 -9.594 1.00 0.00 C ATOM 716 C PRO A 46 1.901 -4.918 -9.437 1.00 0.00 C ATOM 717 O PRO A 46 2.088 -4.361 -8.347 1.00 0.00 O ATOM 718 CB PRO A 46 -0.464 -5.410 -10.000 1.00 0.00 C ATOM 719 CG PRO A 46 -1.206 -5.352 -8.700 1.00 0.00 C ATOM 720 CD PRO A 46 -0.657 -6.428 -7.804 1.00 0.00 C ATOM 0 HA PRO A 46 1.230 -6.743 -10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.338 -4.420 -10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.985 -6.021 -10.737 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.087 -4.373 -8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.273 -5.500 -8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.637 -6.106 -6.763 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.267 -7.330 -7.847 1.00 0.00 H new ATOM 728 N ALA A 47 2.491 -4.528 -10.559 1.00 0.00 N ATOM 729 CA ALA A 47 3.329 -3.346 -10.606 1.00 0.00 C ATOM 730 C ALA A 47 2.499 -2.131 -10.161 1.00 0.00 C ATOM 731 O ALA A 47 1.284 -2.113 -10.394 1.00 0.00 O ATOM 732 CB ALA A 47 3.874 -3.192 -12.022 1.00 0.00 C ATOM 0 H ALA A 47 2.402 -5.017 -11.449 1.00 0.00 H new ATOM 0 HA ALA A 47 4.179 -3.431 -9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.507 -2.306 -12.074 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.460 -4.073 -12.284 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.045 -3.087 -12.722 1.00 0.00 H new ATOM 738 N PRO A 48 3.111 -1.132 -9.505 1.00 0.00 N ATOM 739 CA PRO A 48 2.410 0.098 -9.172 1.00 0.00 C ATOM 740 C PRO A 48 2.008 0.804 -10.472 1.00 0.00 C ATOM 741 O PRO A 48 2.623 0.591 -11.520 1.00 0.00 O ATOM 742 CB PRO A 48 3.417 0.919 -8.362 1.00 0.00 C ATOM 743 CG PRO A 48 4.755 0.488 -8.957 1.00 0.00 C ATOM 744 CD PRO A 48 4.534 -1.001 -9.223 1.00 0.00 C ATOM 0 HA PRO A 48 1.495 -0.059 -8.601 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.250 1.990 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.357 0.697 -7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.987 1.034 -9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.580 0.659 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.135 -1.344 -10.065 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.821 -1.602 -8.360 1.00 0.00 H new ATOM 752 N ASP A 49 1.003 1.675 -10.400 1.00 0.00 N ATOM 753 CA ASP A 49 0.774 2.619 -11.483 1.00 0.00 C ATOM 754 C ASP A 49 1.879 3.664 -11.420 1.00 0.00 C ATOM 755 O ASP A 49 2.489 3.892 -10.369 1.00 0.00 O ATOM 756 CB ASP A 49 -0.609 3.273 -11.406 1.00 0.00 C ATOM 757 CG ASP A 49 -1.712 2.236 -11.604 1.00 0.00 C ATOM 758 OD1 ASP A 49 -1.723 1.602 -12.685 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.559 2.024 -10.702 1.00 0.00 O ATOM 0 H ASP A 49 0.349 1.744 -9.620 1.00 0.00 H new ATOM 0 HA ASP A 49 0.796 2.090 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.732 3.761 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.692 4.049 -12.167 1.00 0.00 H new ATOM 764 N ALA A 50 2.138 4.301 -12.552 1.00 0.00 N ATOM 765 CA ALA A 50 3.328 5.086 -12.825 1.00 0.00 C ATOM 766 C ALA A 50 3.269 6.483 -12.180 1.00 0.00 C ATOM 767 O ALA A 50 3.232 7.505 -12.872 1.00 0.00 O ATOM 768 CB ALA A 50 3.467 5.122 -14.342 1.00 0.00 C ATOM 0 H ALA A 50 1.492 4.282 -13.341 1.00 0.00 H new ATOM 0 HA ALA A 50 4.213 4.636 -12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.349 5.702 -14.613 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.570 4.106 -14.722 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.581 5.585 -14.778 1.00 0.00 H new ATOM 774 N GLY A 51 3.258 6.496 -10.849 1.00 0.00 N ATOM 775 CA GLY A 51 3.085 7.640 -9.965 1.00 0.00 C ATOM 776 C GLY A 51 2.463 7.211 -8.627 1.00 0.00 C ATOM 777 O GLY A 51 1.762 8.004 -7.996 1.00 0.00 O ATOM 0 H GLY A 51 3.380 5.633 -10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.049 8.115 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.448 8.382 -10.445 1.00 0.00 H new ATOM 781 N SER A 52 2.631 5.951 -8.203 1.00 0.00 N ATOM 782 CA SER A 52 2.025 5.413 -6.990 1.00 0.00 C ATOM 783 C SER A 52 2.975 4.431 -6.302 1.00 0.00 C ATOM 784 O SER A 52 3.968 4.005 -6.901 1.00 0.00 O ATOM 785 CB SER A 52 0.680 4.776 -7.364 1.00 0.00 C ATOM 786 OG SER A 52 0.825 3.712 -8.280 1.00 0.00 O ATOM 0 H SER A 52 3.202 5.271 -8.705 1.00 0.00 H new ATOM 0 HA SER A 52 1.840 6.208 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.191 4.411 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.028 5.536 -7.794 1.00 0.00 H new ATOM 0 HG SER A 52 1.582 3.894 -8.876 1.00 0.00 H new ATOM 792 N HIS A 53 2.679 4.049 -5.057 1.00 0.00 N ATOM 793 CA HIS A 53 3.478 3.088 -4.311 1.00 0.00 C ATOM 794 C HIS A 53 2.620 2.240 -3.387 1.00 0.00 C ATOM 795 O HIS A 53 1.568 2.678 -2.928 1.00 0.00 O ATOM 796 CB HIS A 53 4.531 3.834 -3.497 1.00 0.00 C ATOM 797 CG HIS A 53 5.651 2.929 -3.091 1.00 0.00 C ATOM 798 ND1 HIS A 53 6.499 2.303 -3.971 1.00 0.00 N ATOM 799 CD2 HIS A 53 5.940 2.491 -1.829 1.00 0.00 C ATOM 800 CE1 HIS A 53 7.276 1.480 -3.257 1.00 0.00 C ATOM 801 NE2 HIS A 53 6.987 1.575 -1.954 1.00 0.00 N ATOM 0 H HIS A 53 1.874 4.402 -4.540 1.00 0.00 H new ATOM 0 HA HIS A 53 3.958 2.418 -5.024 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.926 4.663 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.069 4.264 -2.609 1.00 0.00 H new ATOM 0 HD1 HIS A 53 6.531 2.440 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.454 2.794 -0.914 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.031 0.830 -3.674 1.00 0.00 H new ATOM 809 N TRP A 54 3.083 1.026 -3.109 1.00 0.00 N ATOM 810 CA TRP A 54 2.414 0.089 -2.213 1.00 0.00 C ATOM 811 C TRP A 54 2.970 0.281 -0.808 1.00 0.00 C ATOM 812 O TRP A 54 4.183 0.247 -0.624 1.00 0.00 O ATOM 813 CB TRP A 54 2.626 -1.354 -2.682 1.00 0.00 C ATOM 814 CG TRP A 54 1.859 -1.749 -3.910 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.344 -1.773 -5.172 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.460 -2.157 -4.016 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.369 -2.253 -6.024 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.156 -2.392 -5.386 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.591 -2.325 -3.092 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -1.144 -2.685 -5.828 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.902 -2.643 -3.518 1.00 0.00 C ATOM 822 CH2 TRP A 54 -2.189 -2.788 -4.891 1.00 0.00 C ATOM 0 H TRP A 54 3.948 0.659 -3.506 1.00 0.00 H new ATOM 0 HA TRP A 54 1.341 0.283 -2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.689 -1.504 -2.874 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.351 -2.027 -1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.336 -1.466 -5.467 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.528 -2.477 -7.006 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.391 -2.209 -2.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.341 -2.830 -6.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.687 -2.775 -2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.200 -2.976 -5.220 1.00 0.00 H new ATOM 833 N THR A 55 2.094 0.461 0.175 1.00 0.00 N ATOM 834 CA THR A 55 2.479 0.830 1.534 1.00 0.00 C ATOM 835 C THR A 55 1.788 -0.062 2.560 1.00 0.00 C ATOM 836 O THR A 55 0.746 -0.647 2.254 1.00 0.00 O ATOM 837 CB THR A 55 2.206 2.327 1.755 1.00 0.00 C ATOM 838 OG1 THR A 55 0.868 2.649 1.419 1.00 0.00 O ATOM 839 CG2 THR A 55 3.128 3.188 0.900 1.00 0.00 C ATOM 0 H THR A 55 1.087 0.354 0.050 1.00 0.00 H new ATOM 0 HA THR A 55 3.548 0.668 1.671 1.00 0.00 H new ATOM 0 HB THR A 55 2.387 2.530 2.810 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.757 3.623 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.911 4.241 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.166 2.982 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.968 2.958 -0.153 1.00 0.00 H new ATOM 847 N TYR A 56 2.379 -0.204 3.750 1.00 0.00 N ATOM 848 CA TYR A 56 1.891 -1.125 4.778 1.00 0.00 C ATOM 849 C TYR A 56 0.904 -0.416 5.706 1.00 0.00 C ATOM 850 O TYR A 56 1.293 0.564 6.343 1.00 0.00 O ATOM 851 CB TYR A 56 3.077 -1.694 5.575 1.00 0.00 C ATOM 852 CG TYR A 56 2.763 -2.996 6.281 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.425 -4.127 5.518 1.00 0.00 C ATOM 854 CD2 TYR A 56 2.821 -3.096 7.682 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.201 -5.368 6.137 1.00 0.00 C ATOM 856 CE2 TYR A 56 2.600 -4.336 8.308 1.00 0.00 C ATOM 857 CZ TYR A 56 2.341 -5.489 7.534 1.00 0.00 C ATOM 858 OH TYR A 56 2.157 -6.690 8.150 1.00 0.00 O ATOM 0 H TYR A 56 3.211 0.318 4.027 1.00 0.00 H new ATOM 0 HA TYR A 56 1.367 -1.950 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.917 -1.851 4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.395 -0.958 6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.337 -4.041 4.445 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.035 -2.221 8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.922 -6.227 5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.628 -4.407 9.385 1.00 0.00 H new ATOM 0 HH TYR A 56 2.295 -6.587 9.115 1.00 0.00 H new ATOM 868 N MET A 57 -0.350 -0.868 5.804 1.00 0.00 N ATOM 869 CA MET A 57 -1.380 -0.212 6.615 1.00 0.00 C ATOM 870 C MET A 57 -2.272 -1.235 7.309 1.00 0.00 C ATOM 871 O MET A 57 -3.043 -1.941 6.660 1.00 0.00 O ATOM 872 CB MET A 57 -2.227 0.741 5.768 1.00 0.00 C ATOM 873 CG MET A 57 -1.390 1.865 5.167 1.00 0.00 C ATOM 874 SD MET A 57 -2.376 3.258 4.584 1.00 0.00 S ATOM 875 CE MET A 57 -1.168 3.956 3.440 1.00 0.00 C ATOM 0 H MET A 57 -0.681 -1.703 5.321 1.00 0.00 H new ATOM 0 HA MET A 57 -0.868 0.371 7.380 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.712 0.182 4.968 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.019 1.168 6.384 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.680 2.219 5.915 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.806 1.469 4.336 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.113 5.035 3.583 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.190 3.514 3.630 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.471 3.741 2.415 1.00 0.00 H new ATOM 885 N GLY A 58 -2.163 -1.344 8.633 1.00 0.00 N ATOM 886 CA GLY A 58 -2.917 -2.299 9.441 1.00 0.00 C ATOM 887 C GLY A 58 -2.489 -3.756 9.224 1.00 0.00 C ATOM 888 O GLY A 58 -3.065 -4.649 9.844 1.00 0.00 O ATOM 0 H GLY A 58 -1.535 -0.759 9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.797 -2.046 10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.978 -2.202 9.209 1.00 0.00 H new ATOM 892 N GLY A 59 -1.484 -4.013 8.387 1.00 0.00 N ATOM 893 CA GLY A 59 -1.097 -5.331 7.897 1.00 0.00 C ATOM 894 C GLY A 59 -1.324 -5.467 6.391 1.00 0.00 C ATOM 895 O GLY A 59 -0.749 -6.346 5.754 1.00 0.00 O ATOM 0 H GLY A 59 -0.891 -3.271 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.046 -5.508 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.670 -6.096 8.421 1.00 0.00 H new ATOM 899 N ASN A 60 -2.145 -4.591 5.811 1.00 0.00 N ATOM 900 CA ASN A 60 -2.536 -4.624 4.409 1.00 0.00 C ATOM 901 C ASN A 60 -1.461 -3.954 3.566 1.00 0.00 C ATOM 902 O ASN A 60 -0.671 -3.152 4.067 1.00 0.00 O ATOM 903 CB ASN A 60 -3.879 -3.900 4.207 1.00 0.00 C ATOM 904 CG ASN A 60 -4.951 -4.468 5.120 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.484 -5.533 4.852 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.238 -3.801 6.225 1.00 0.00 N ATOM 0 H ASN A 60 -2.567 -3.817 6.323 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.650 -5.663 4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.755 -2.835 4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.194 -3.996 3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.923 -4.174 6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.775 -2.913 6.420 1.00 0.00 H new ATOM 913 N TYR A 61 -1.490 -4.208 2.262 1.00 0.00 N ATOM 914 CA TYR A 61 -0.674 -3.553 1.259 1.00 0.00 C ATOM 915 C TYR A 61 -1.586 -2.673 0.430 1.00 0.00 C ATOM 916 O TYR A 61 -2.499 -3.185 -0.223 1.00 0.00 O ATOM 917 CB TYR A 61 -0.009 -4.597 0.365 1.00 0.00 C ATOM 918 CG TYR A 61 0.911 -5.547 1.093 1.00 0.00 C ATOM 919 CD1 TYR A 61 1.951 -5.060 1.900 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.729 -6.930 0.963 1.00 0.00 C ATOM 921 CE1 TYR A 61 2.833 -5.952 2.529 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.632 -7.828 1.555 1.00 0.00 C ATOM 923 CZ TYR A 61 2.684 -7.344 2.362 1.00 0.00 C ATOM 924 OH TYR A 61 3.580 -8.187 2.941 1.00 0.00 O ATOM 0 H TYR A 61 -2.114 -4.909 1.862 1.00 0.00 H new ATOM 0 HA TYR A 61 0.108 -2.959 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.785 -5.175 -0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.559 -4.084 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.073 -3.996 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.113 -7.309 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.632 -5.569 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.521 -8.890 1.393 1.00 0.00 H new ATOM 0 HH TYR A 61 3.101 -8.881 3.440 1.00 0.00 H new ATOM 934 N VAL A 62 -1.366 -1.360 0.430 1.00 0.00 N ATOM 935 CA VAL A 62 -2.341 -0.446 -0.142 1.00 0.00 C ATOM 936 C VAL A 62 -1.600 0.515 -1.065 1.00 0.00 C ATOM 937 O VAL A 62 -0.515 1.004 -0.738 1.00 0.00 O ATOM 938 CB VAL A 62 -3.199 0.178 0.977 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.669 -0.862 2.010 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.462 1.269 1.747 1.00 0.00 C ATOM 0 H VAL A 62 -0.533 -0.914 0.814 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.077 -0.944 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.055 0.603 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.269 -0.369 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.270 -1.623 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.802 -1.331 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.115 1.672 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.568 0.849 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.176 2.067 1.062 1.00 0.00 H new ATOM 950 N LEU A 63 -2.124 0.681 -2.275 1.00 0.00 N ATOM 951 CA LEU A 63 -1.509 1.434 -3.353 1.00 0.00 C ATOM 952 C LEU A 63 -1.970 2.873 -3.217 1.00 0.00 C ATOM 953 O LEU A 63 -3.160 3.144 -3.380 1.00 0.00 O ATOM 954 CB LEU A 63 -1.908 0.831 -4.706 1.00 0.00 C ATOM 955 CG LEU A 63 -1.260 1.528 -5.915 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.269 1.448 -5.861 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.753 0.874 -7.213 1.00 0.00 C ATOM 0 H LEU A 63 -3.023 0.278 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.421 1.394 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.634 -0.224 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.992 0.880 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.548 2.579 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.691 1.951 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.627 1.933 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.579 0.403 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.293 1.370 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.480 -0.181 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.837 0.969 -7.279 1.00 0.00 H new ATOM 969 N ILE A 64 -1.065 3.772 -2.859 1.00 0.00 N ATOM 970 CA ILE A 64 -1.336 5.191 -2.676 1.00 0.00 C ATOM 971 C ILE A 64 -0.718 5.947 -3.850 1.00 0.00 C ATOM 972 O ILE A 64 0.315 5.507 -4.363 1.00 0.00 O ATOM 973 CB ILE A 64 -0.792 5.647 -1.306 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.732 5.470 -1.127 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.574 4.927 -0.200 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.249 6.196 0.118 1.00 0.00 C ATOM 0 H ILE A 64 -0.091 3.527 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.406 5.399 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.944 6.725 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.968 4.408 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.248 5.850 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.199 5.241 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.632 5.178 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.448 3.850 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.325 6.046 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.037 7.262 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.753 5.798 1.003 1.00 0.00 H new ATOM 988 N THR A 65 -1.302 7.063 -4.295 1.00 0.00 N ATOM 989 CA THR A 65 -0.581 7.924 -5.227 1.00 0.00 C ATOM 990 C THR A 65 0.547 8.576 -4.444 1.00 0.00 C ATOM 991 O THR A 65 0.372 8.952 -3.289 1.00 0.00 O ATOM 992 CB THR A 65 -1.492 8.958 -5.918 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.714 9.161 -5.241 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.815 8.459 -7.319 1.00 0.00 C ATOM 0 H THR A 65 -2.236 7.381 -4.036 1.00 0.00 H new ATOM 0 HA THR A 65 -0.181 7.330 -6.049 1.00 0.00 H new ATOM 0 HB THR A 65 -0.952 9.905 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.312 9.700 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.460 9.180 -7.822 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.891 8.341 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.326 7.498 -7.254 1.00 0.00 H new ATOM 1002 N ASP A 66 1.711 8.734 -5.061 1.00 0.00 N ATOM 1003 CA ASP A 66 2.889 9.240 -4.354 1.00 0.00 C ATOM 1004 C ASP A 66 2.786 10.737 -4.036 1.00 0.00 C ATOM 1005 O ASP A 66 3.578 11.291 -3.280 1.00 0.00 O ATOM 1006 CB ASP A 66 4.112 8.956 -5.217 1.00 0.00 C ATOM 1007 CG ASP A 66 5.361 8.756 -4.367 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.354 7.873 -3.479 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.391 9.402 -4.674 1.00 0.00 O ATOM 0 H ASP A 66 1.868 8.521 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 66 2.968 8.733 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.934 8.065 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.270 9.783 -5.909 1.00 0.00 H new ATOM 1014 N THR A 67 1.784 11.381 -4.628 1.00 0.00 N ATOM 1015 CA THR A 67 1.647 12.816 -4.812 1.00 0.00 C ATOM 1016 C THR A 67 0.325 13.334 -4.211 1.00 0.00 C ATOM 1017 O THR A 67 0.074 14.537 -4.164 1.00 0.00 O ATOM 1018 CB THR A 67 1.794 13.042 -6.334 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.888 14.402 -6.669 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.676 12.392 -7.171 1.00 0.00 C ATOM 0 H THR A 67 0.991 10.873 -5.019 1.00 0.00 H new ATOM 0 HA THR A 67 2.406 13.390 -4.280 1.00 0.00 H new ATOM 0 HB THR A 67 2.731 12.544 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.507 14.944 -5.947 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.848 12.594 -8.228 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.675 11.315 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.288 12.806 -6.875 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.532 12.428 -3.736 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.910 12.700 -3.323 1.00 0.00 C ATOM 1030 C GLU A 68 -2.335 11.682 -2.267 1.00 0.00 C ATOM 1031 O GLU A 68 -3.095 12.008 -1.363 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.795 12.621 -4.582 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.308 12.834 -4.433 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.805 14.012 -5.285 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.791 13.922 -6.537 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.138 15.078 -4.724 1.00 0.00 O ATOM 0 H GLU A 68 -0.275 11.447 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.007 13.690 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.425 13.360 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.642 11.641 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.834 11.926 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.548 13.016 -3.385 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.817 10.454 -2.352 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.069 9.399 -1.394 1.00 0.00 C ATOM 1045 C GLY A 69 -3.425 8.735 -1.579 1.00 0.00 C ATOM 1046 O GLY A 69 -3.925 8.074 -0.670 1.00 0.00 O ATOM 0 H GLY A 69 -1.197 10.169 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.287 8.644 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.007 9.809 -0.386 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.061 8.930 -2.729 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.359 8.360 -3.033 1.00 0.00 C ATOM 1052 C LYS A 70 -5.237 6.852 -3.024 1.00 0.00 C ATOM 1053 O LYS A 70 -4.322 6.303 -3.635 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.855 8.951 -4.355 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.370 8.863 -4.516 1.00 0.00 C ATOM 1056 CD LYS A 70 -7.843 7.428 -4.711 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.918 7.328 -5.784 1.00 0.00 C ATOM 1058 NZ LYS A 70 -9.080 5.934 -6.258 1.00 0.00 N ATOM 0 H LYS A 70 -3.679 9.498 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.111 8.611 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.549 9.995 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.376 8.428 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.853 9.287 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.679 9.465 -5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.995 6.800 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.233 7.043 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.866 7.691 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.657 7.972 -6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.090 5.730 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.574 5.812 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.690 5.279 -5.550 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.159 6.197 -2.328 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.241 4.762 -2.202 1.00 0.00 C ATOM 1074 C ILE A 71 -6.697 4.255 -3.570 1.00 0.00 C ATOM 1075 O ILE A 71 -7.882 4.295 -3.929 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.130 4.397 -0.989 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.511 5.031 0.291 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.312 2.875 -0.837 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.256 4.705 1.578 1.00 0.00 C ATOM 0 H ILE A 71 -6.898 6.680 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.297 4.268 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.130 4.801 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.479 4.692 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.481 6.114 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.943 2.669 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.783 2.473 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.339 2.404 -0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.757 5.186 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.281 5.069 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.264 3.626 1.730 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.710 3.883 -4.384 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.895 3.347 -5.716 1.00 0.00 C ATOM 1093 C LEU A 72 -6.436 1.928 -5.605 1.00 0.00 C ATOM 1094 O LEU A 72 -7.445 1.618 -6.233 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.575 3.352 -6.512 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.965 4.725 -6.859 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.865 4.554 -7.913 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -5.001 5.716 -7.404 1.00 0.00 C ATOM 0 H LEU A 72 -4.728 3.952 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.604 3.977 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.836 2.788 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.741 2.811 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.563 5.129 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.438 5.527 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.084 3.902 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.290 4.111 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.513 6.664 -7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.448 5.312 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.778 5.877 -6.657 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.774 1.063 -4.832 1.00 0.00 N ATOM 1111 CA LYS A 73 -6.140 -0.340 -4.634 1.00 0.00 C ATOM 1112 C LYS A 73 -5.694 -0.776 -3.237 1.00 0.00 C ATOM 1113 O LYS A 73 -4.828 -0.128 -2.648 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.481 -1.216 -5.716 1.00 0.00 C ATOM 1115 CG LYS A 73 -6.167 -1.078 -7.088 1.00 0.00 C ATOM 1116 CD LYS A 73 -5.724 -2.178 -8.058 1.00 0.00 C ATOM 1117 CE LYS A 73 -4.518 -1.844 -8.960 1.00 0.00 C ATOM 1118 NZ LYS A 73 -4.902 -1.050 -10.144 1.00 0.00 N ATOM 0 H LYS A 73 -4.940 1.330 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.220 -0.457 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.430 -0.942 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.511 -2.259 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.249 -1.120 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.935 -0.102 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.482 -3.069 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.570 -2.433 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.777 -1.293 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.044 -2.770 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.058 -0.852 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.589 -1.585 -10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.330 -0.153 -9.837 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.232 -1.882 -2.724 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.939 -2.439 -1.406 1.00 0.00 C ATOM 1134 C VAL A 74 -5.866 -3.956 -1.600 1.00 0.00 C ATOM 1135 O VAL A 74 -6.714 -4.518 -2.295 1.00 0.00 O ATOM 1136 CB VAL A 74 -7.061 -2.042 -0.411 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.870 -2.599 1.011 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.209 -0.518 -0.271 1.00 0.00 C ATOM 0 H VAL A 74 -6.914 -2.438 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.004 -2.062 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.953 -2.485 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.697 -2.275 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.846 -3.688 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.932 -2.229 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.007 -0.293 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.273 -0.093 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.452 -0.085 -1.241 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.872 -4.609 -0.997 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.795 -6.054 -0.876 1.00 0.00 C ATOM 1150 C TYR A 75 -4.417 -6.391 0.561 1.00 0.00 C ATOM 1151 O TYR A 75 -3.617 -5.681 1.173 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.775 -6.631 -1.868 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.332 -6.808 -3.266 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.260 -7.834 -3.498 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.970 -5.956 -4.322 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.874 -7.994 -4.746 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.576 -6.115 -5.583 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.558 -7.108 -5.790 1.00 0.00 C ATOM 1159 OH TYR A 75 -6.180 -7.208 -6.997 1.00 0.00 O ATOM 0 H TYR A 75 -4.080 -4.129 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.760 -6.501 -1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.908 -5.972 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.425 -7.595 -1.499 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.506 -8.515 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.231 -5.183 -4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.585 -8.792 -4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.287 -5.471 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.839 -6.514 -7.599 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.974 -7.475 1.093 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.590 -8.003 2.402 1.00 0.00 C ATOM 1171 C ASP A 76 -3.127 -8.462 2.358 1.00 0.00 C ATOM 1172 O ASP A 76 -2.679 -8.988 1.337 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.514 -9.169 2.767 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.453 -9.534 4.252 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.346 -9.766 4.785 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.539 -9.621 4.871 1.00 0.00 O ATOM 0 H ASP A 76 -5.705 -8.014 0.630 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.688 -7.228 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.539 -8.910 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.243 -10.041 2.172 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.374 -8.287 3.446 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.003 -8.756 3.607 1.00 0.00 C ATOM 1183 C GLY A 77 -0.825 -10.251 3.376 1.00 0.00 C ATOM 1184 O GLY A 77 0.278 -10.668 3.012 1.00 0.00 O ATOM 0 H GLY A 77 -2.720 -7.795 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.361 -8.213 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.663 -8.512 4.613 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.877 -11.060 3.512 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.815 -12.491 3.223 1.00 0.00 C ATOM 1190 C GLU A 78 -1.426 -12.808 1.774 1.00 0.00 C ATOM 1191 O GLU A 78 -0.897 -13.895 1.511 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.141 -13.159 3.579 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.294 -13.269 5.104 1.00 0.00 C ATOM 1194 CD GLU A 78 -3.909 -14.601 5.521 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -3.407 -15.667 5.103 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -4.914 -14.560 6.270 1.00 0.00 O ATOM 0 H GLU A 78 -2.794 -10.741 3.825 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.018 -12.897 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.968 -12.583 3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.188 -14.151 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.318 -13.157 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.918 -12.452 5.466 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.592 -11.854 0.851 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.133 -11.968 -0.529 1.00 0.00 C ATOM 1205 C ILE A 79 0.390 -12.159 -0.620 1.00 0.00 C ATOM 1206 O ILE A 79 0.905 -12.546 -1.664 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.606 -10.720 -1.303 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.545 -10.967 -2.815 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.761 -9.480 -0.949 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.350 -9.949 -3.615 1.00 0.00 C ATOM 0 H ILE A 79 -2.057 -10.968 1.050 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.565 -12.861 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.638 -10.529 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.505 -10.938 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.919 -11.968 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.123 -8.620 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.845 -9.275 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.283 -9.667 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.269 -10.175 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.396 -9.994 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.961 -8.948 -3.426 1.00 0.00 H new ATOM 1222 N PHE A 80 1.138 -11.866 0.444 1.00 0.00 N ATOM 1223 CA PHE A 80 2.570 -12.094 0.497 1.00 0.00 C ATOM 1224 C PHE A 80 2.865 -13.595 0.441 1.00 0.00 C ATOM 1225 O PHE A 80 3.710 -14.027 -0.337 1.00 0.00 O ATOM 1226 CB PHE A 80 3.095 -11.463 1.791 1.00 0.00 C ATOM 1227 CG PHE A 80 4.577 -11.586 2.097 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.547 -11.857 1.113 1.00 0.00 C ATOM 1229 CD2 PHE A 80 4.981 -11.466 3.433 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.895 -12.018 1.472 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.316 -11.671 3.805 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.278 -11.951 2.822 1.00 0.00 C ATOM 0 H PHE A 80 0.757 -11.460 1.298 1.00 0.00 H new ATOM 0 HA PHE A 80 3.070 -11.638 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.846 -10.402 1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.545 -11.903 2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.253 -11.941 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.252 -11.211 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.639 -12.194 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.604 -11.614 4.844 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.308 -12.114 3.102 1.00 0.00 H new ATOM 1242 N TYR A 81 2.194 -14.393 1.270 1.00 0.00 N ATOM 1243 CA TYR A 81 2.539 -15.798 1.485 1.00 0.00 C ATOM 1244 C TYR A 81 1.952 -16.700 0.392 1.00 0.00 C ATOM 1245 O TYR A 81 2.463 -17.802 0.184 1.00 0.00 O ATOM 1246 CB TYR A 81 2.093 -16.213 2.896 1.00 0.00 C ATOM 1247 CG TYR A 81 2.606 -15.265 3.971 1.00 0.00 C ATOM 1248 CD1 TYR A 81 1.875 -14.105 4.289 1.00 0.00 C ATOM 1249 CD2 TYR A 81 3.856 -15.484 4.579 1.00 0.00 C ATOM 1250 CE1 TYR A 81 2.409 -13.138 5.157 1.00 0.00 C ATOM 1251 CE2 TYR A 81 4.400 -14.517 5.447 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.680 -13.336 5.739 1.00 0.00 C ATOM 1253 OH TYR A 81 4.217 -12.362 6.529 1.00 0.00 O ATOM 0 H TYR A 81 1.390 -14.081 1.815 1.00 0.00 H new ATOM 0 HA TYR A 81 3.620 -15.920 1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.004 -16.246 2.935 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.450 -17.221 3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.894 -13.957 3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.400 -16.396 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.847 -12.243 5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.371 -14.679 5.891 1.00 0.00 H new ATOM 0 HH TYR A 81 4.783 -11.775 5.985 1.00 0.00 H new ATOM 1263 N HIS A 82 0.958 -16.179 -0.336 1.00 0.00 N ATOM 1264 CA HIS A 82 0.261 -16.713 -1.493 1.00 0.00 C ATOM 1265 C HIS A 82 1.292 -17.151 -2.527 1.00 0.00 C ATOM 1266 O HIS A 82 2.156 -16.354 -2.908 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.635 -15.574 -2.006 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.491 -15.831 -3.219 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.371 -16.870 -3.421 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.711 -14.914 -4.211 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -3.078 -16.587 -4.529 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.708 -15.409 -5.054 1.00 0.00 N ATOM 0 H HIS A 82 0.585 -15.262 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.349 -17.587 -1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.294 -15.276 -1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.006 -14.720 -2.226 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -2.469 -17.701 -2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.201 -13.969 -4.323 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.845 -17.225 -4.943 1.00 0.00 H new ATOM 1280 N ARG A 83 1.228 -18.416 -2.939 1.00 0.00 N ATOM 1281 CA ARG A 83 2.136 -19.017 -3.901 1.00 0.00 C ATOM 1282 C ARG A 83 1.263 -19.740 -4.891 1.00 0.00 C ATOM 1283 O ARG A 83 1.276 -19.363 -6.081 1.00 0.00 O ATOM 1284 CB ARG A 83 3.124 -19.983 -3.218 1.00 0.00 C ATOM 1285 CG ARG A 83 4.309 -19.245 -2.579 1.00 0.00 C ATOM 1286 CD ARG A 83 5.325 -20.213 -1.958 1.00 0.00 C ATOM 1287 NE ARG A 83 4.945 -20.649 -0.600 1.00 0.00 N ATOM 1288 CZ ARG A 83 5.659 -21.488 0.168 1.00 0.00 C ATOM 1289 NH1 ARG A 83 6.800 -22.005 -0.273 1.00 0.00 N ATOM 1290 NH2 ARG A 83 5.223 -21.816 1.378 1.00 0.00 N ATOM 0 H ARG A 83 0.520 -19.067 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 83 2.751 -18.261 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.600 -20.555 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.496 -20.698 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.805 -18.635 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.940 -18.565 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.426 -21.088 -2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.302 -19.731 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 83 4.073 -20.285 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.142 -21.766 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.334 -22.641 0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.345 -21.431 1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.766 -22.453 1.960 1.00 0.00 H new TER 1304 ARG A 83