USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 MET CE :methyl 155:sc= -0.152 (180deg=-0.767) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0884) USER MOD Single : A 3 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.0057) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -90:sc= -0.167 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= -0.203 (180deg=-0.853) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 153:sc= 0.216 USER MOD Single : A 26 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.92) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -14:sc= -3.24 USER MOD Single : A 36 MET CE :methyl 136:sc= -1.59 (180deg=-4.59!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -172:sc= 0 (180deg=-0.0776) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0139 X(o=-0.014,f=0.017) USER MOD Single : A 48 GLN : amide:sc= -7.27! C(o=-7.3!,f=-9.7!) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= -0.0109 (180deg=-0.285) USER MOD Single : A 55 TYR OH : rot 7:sc= -5.61! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.117 F(o=-1.4,f=-0.12) USER MOD Single : A 80 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-1.2) USER MOD Single : A 81 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.089) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.082) USER MOD Single : A 84 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.197 9.125 -14.796 1.00 0.00 N ATOM 2 CA MET A 1 4.201 7.652 -15.000 1.00 0.00 C ATOM 3 C MET A 1 4.760 6.928 -13.780 1.00 0.00 C ATOM 4 O MET A 1 5.492 5.947 -13.910 1.00 0.00 O ATOM 5 CB MET A 1 5.044 7.334 -16.236 1.00 0.00 C ATOM 6 CG MET A 1 4.686 6.011 -16.893 1.00 0.00 C ATOM 7 SD MET A 1 5.982 5.408 -17.991 1.00 0.00 S ATOM 8 CE MET A 1 7.265 5.002 -16.810 1.00 0.00 C ATOM 0 H1 MET A 1 3.941 9.598 -15.686 1.00 0.00 H new ATOM 0 H2 MET A 1 3.504 9.372 -14.061 1.00 0.00 H new ATOM 0 H3 MET A 1 5.143 9.437 -14.498 1.00 0.00 H new ATOM 0 HA MET A 1 3.177 7.308 -15.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.923 8.136 -16.964 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.096 7.316 -15.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.494 5.266 -16.120 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.762 6.129 -17.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.920 4.240 -17.232 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.846 5.896 -16.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.810 4.623 -15.895 1.00 0.00 H new ATOM 20 N GLU A 2 4.412 7.419 -12.595 1.00 0.00 N ATOM 21 CA GLU A 2 4.879 6.818 -11.351 1.00 0.00 C ATOM 22 C GLU A 2 3.787 5.966 -10.714 1.00 0.00 C ATOM 23 O GLU A 2 3.676 5.894 -9.490 1.00 0.00 O ATOM 24 CB GLU A 2 5.330 7.905 -10.374 1.00 0.00 C ATOM 25 CG GLU A 2 6.308 7.410 -9.322 1.00 0.00 C ATOM 26 CD GLU A 2 7.745 7.434 -9.805 1.00 0.00 C ATOM 27 OE1 GLU A 2 8.212 8.514 -10.225 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.403 6.373 -9.764 1.00 0.00 O ATOM 0 H GLU A 2 3.808 8.232 -12.470 1.00 0.00 H new ATOM 0 HA GLU A 2 5.727 6.173 -11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.793 8.717 -10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.454 8.321 -9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.218 8.028 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.042 6.393 -9.034 1.00 0.00 H new ATOM 35 N ASN A 3 2.981 5.322 -11.552 1.00 0.00 N ATOM 36 CA ASN A 3 1.897 4.474 -11.070 1.00 0.00 C ATOM 37 C ASN A 3 2.248 2.998 -11.233 1.00 0.00 C ATOM 38 O ASN A 3 1.558 2.257 -11.935 1.00 0.00 O ATOM 39 CB ASN A 3 0.602 4.792 -11.821 1.00 0.00 C ATOM 40 CG ASN A 3 0.798 4.828 -13.324 1.00 0.00 C ATOM 41 OD1 ASN A 3 0.727 3.799 -13.996 1.00 0.00 O ATOM 42 ND2 ASN A 3 1.048 6.017 -13.860 1.00 0.00 N ATOM 0 H ASN A 3 3.058 5.371 -12.568 1.00 0.00 H new ATOM 0 HA ASN A 3 1.752 4.677 -10.009 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.151 4.044 -11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.217 5.755 -11.485 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.190 6.103 -14.866 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.098 6.844 -13.265 1.00 0.00 H new ATOM 49 N ASP A 4 3.326 2.577 -10.580 1.00 0.00 N ATOM 50 CA ASP A 4 3.770 1.189 -10.651 1.00 0.00 C ATOM 51 C ASP A 4 2.974 0.312 -9.688 1.00 0.00 C ATOM 52 O ASP A 4 2.380 0.807 -8.730 1.00 0.00 O ATOM 53 CB ASP A 4 5.263 1.094 -10.333 1.00 0.00 C ATOM 54 CG ASP A 4 6.123 1.119 -11.582 1.00 0.00 C ATOM 55 OD1 ASP A 4 5.731 0.487 -12.585 1.00 0.00 O ATOM 56 OD2 ASP A 4 7.188 1.771 -11.556 1.00 0.00 O ATOM 0 H ASP A 4 3.909 3.177 -9.996 1.00 0.00 H new ATOM 0 HA ASP A 4 3.598 0.829 -11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.547 1.922 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.456 0.175 -9.780 1.00 0.00 H new ATOM 61 N PRO A 5 2.953 -1.011 -9.931 1.00 0.00 N ATOM 62 CA PRO A 5 2.226 -1.959 -9.080 1.00 0.00 C ATOM 63 C PRO A 5 2.873 -2.125 -7.709 1.00 0.00 C ATOM 64 O PRO A 5 2.220 -2.534 -6.749 1.00 0.00 O ATOM 65 CB PRO A 5 2.297 -3.269 -9.866 1.00 0.00 C ATOM 66 CG PRO A 5 3.521 -3.142 -10.705 1.00 0.00 C ATOM 67 CD PRO A 5 3.635 -1.684 -11.052 1.00 0.00 C ATOM 0 HA PRO A 5 1.209 -1.623 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.362 -4.128 -9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.408 -3.410 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.403 -3.484 -10.163 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.443 -3.752 -11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.676 -1.371 -11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.157 -1.460 -12.006 1.00 0.00 H new ATOM 75 N THR A 6 4.162 -1.805 -7.622 1.00 0.00 N ATOM 76 CA THR A 6 4.898 -1.920 -6.367 1.00 0.00 C ATOM 77 C THR A 6 4.828 -0.622 -5.564 1.00 0.00 C ATOM 78 O THR A 6 5.813 -0.208 -4.952 1.00 0.00 O ATOM 79 CB THR A 6 6.357 -2.282 -6.645 1.00 0.00 C ATOM 80 OG1 THR A 6 7.005 -1.243 -7.357 1.00 0.00 O ATOM 81 CG2 THR A 6 6.516 -3.556 -7.445 1.00 0.00 C ATOM 0 H THR A 6 4.718 -1.464 -8.406 1.00 0.00 H new ATOM 0 HA THR A 6 4.436 -2.711 -5.777 1.00 0.00 H new ATOM 0 HB THR A 6 6.809 -2.430 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.938 -1.493 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.576 -3.754 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.071 -4.387 -6.898 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.017 -3.446 -8.408 1.00 0.00 H new ATOM 89 N VAL A 7 3.661 0.015 -5.568 1.00 0.00 N ATOM 90 CA VAL A 7 3.472 1.263 -4.837 1.00 0.00 C ATOM 91 C VAL A 7 2.037 1.394 -4.340 1.00 0.00 C ATOM 92 O VAL A 7 1.092 1.374 -5.128 1.00 0.00 O ATOM 93 CB VAL A 7 3.810 2.486 -5.708 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.874 3.746 -4.858 1.00 0.00 C ATOM 95 CG2 VAL A 7 5.119 2.269 -6.454 1.00 0.00 C ATOM 0 H VAL A 7 2.834 -0.312 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 7 4.152 1.234 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 7 3.017 2.613 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.114 4.600 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.909 3.910 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.644 3.632 -4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.340 3.145 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.925 2.114 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.031 1.393 -7.096 1.00 0.00 H new ATOM 105 N LEU A 8 1.883 1.531 -3.028 1.00 0.00 N ATOM 106 CA LEU A 8 0.563 1.668 -2.426 1.00 0.00 C ATOM 107 C LEU A 8 0.148 3.135 -2.357 1.00 0.00 C ATOM 108 O LEU A 8 0.956 4.003 -2.025 1.00 0.00 O ATOM 109 CB LEU A 8 0.550 1.051 -1.025 1.00 0.00 C ATOM 110 CG LEU A 8 -0.708 0.252 -0.682 1.00 0.00 C ATOM 111 CD1 LEU A 8 -1.956 1.088 -0.921 1.00 0.00 C ATOM 112 CD2 LEU A 8 -0.761 -1.032 -1.496 1.00 0.00 C ATOM 0 H LEU A 8 2.655 1.550 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.153 1.136 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.416 0.397 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.666 1.849 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.670 -0.011 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.840 0.502 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.923 1.979 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.001 1.383 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.662 -1.588 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.775 -0.789 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.116 -1.640 -1.274 1.00 0.00 H new ATOM 124 N ARG A 9 -1.115 3.403 -2.671 1.00 0.00 N ATOM 125 CA ARG A 9 -1.638 4.764 -2.646 1.00 0.00 C ATOM 126 C ARG A 9 -3.122 4.769 -2.293 1.00 0.00 C ATOM 127 O ARG A 9 -3.882 3.916 -2.752 1.00 0.00 O ATOM 128 CB ARG A 9 -1.427 5.440 -4.003 1.00 0.00 C ATOM 129 CG ARG A 9 0.025 5.779 -4.299 1.00 0.00 C ATOM 130 CD ARG A 9 0.246 6.026 -5.782 1.00 0.00 C ATOM 131 NE ARG A 9 0.457 4.781 -6.517 1.00 0.00 N ATOM 132 CZ ARG A 9 0.290 4.657 -7.832 1.00 0.00 C ATOM 133 NH1 ARG A 9 -0.083 5.700 -8.562 1.00 0.00 N ATOM 134 NH2 ARG A 9 0.499 3.486 -8.418 1.00 0.00 N ATOM 0 H ARG A 9 -1.796 2.695 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.096 5.320 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.805 4.785 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.019 6.355 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.316 6.665 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.666 4.963 -3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.616 6.550 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.109 6.678 -5.917 1.00 0.00 H new ATOM 0 HE ARG A 9 0.750 3.958 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.243 6.603 -8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.209 5.599 -9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.787 2.681 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.371 3.390 -9.425 1.00 0.00 H new ATOM 148 N SER A 10 -3.527 5.735 -1.475 1.00 0.00 N ATOM 149 CA SER A 10 -4.921 5.849 -1.061 1.00 0.00 C ATOM 150 C SER A 10 -5.808 6.247 -2.239 1.00 0.00 C ATOM 151 O SER A 10 -5.387 7.003 -3.115 1.00 0.00 O ATOM 152 CB SER A 10 -5.057 6.876 0.064 1.00 0.00 C ATOM 153 OG SER A 10 -4.982 6.254 1.335 1.00 0.00 O ATOM 0 H SER A 10 -2.911 6.449 -1.086 1.00 0.00 H new ATOM 0 HA SER A 10 -5.247 4.875 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.269 7.624 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.007 7.401 -0.032 1.00 0.00 H new ATOM 0 HG SER A 10 -5.882 6.001 1.629 1.00 0.00 H new ATOM 159 N PRO A 11 -7.053 5.741 -2.276 1.00 0.00 N ATOM 160 CA PRO A 11 -7.997 6.048 -3.355 1.00 0.00 C ATOM 161 C PRO A 11 -8.541 7.470 -3.263 1.00 0.00 C ATOM 162 O PRO A 11 -8.940 8.058 -4.268 1.00 0.00 O ATOM 163 CB PRO A 11 -9.119 5.032 -3.139 1.00 0.00 C ATOM 164 CG PRO A 11 -9.083 4.736 -1.680 1.00 0.00 C ATOM 165 CD PRO A 11 -7.637 4.831 -1.272 1.00 0.00 C ATOM 0 HA PRO A 11 -7.529 5.987 -4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.085 5.439 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.957 4.131 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.693 5.447 -1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.482 3.743 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.530 5.227 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.152 3.855 -1.285 1.00 0.00 H new ATOM 173 N SER A 12 -8.556 8.017 -2.052 1.00 0.00 N ATOM 174 CA SER A 12 -9.052 9.371 -1.831 1.00 0.00 C ATOM 175 C SER A 12 -8.396 9.998 -0.606 1.00 0.00 C ATOM 176 O SER A 12 -7.558 9.378 0.048 1.00 0.00 O ATOM 177 CB SER A 12 -10.572 9.357 -1.661 1.00 0.00 C ATOM 178 OG SER A 12 -10.943 8.739 -0.441 1.00 0.00 O ATOM 0 H SER A 12 -8.231 7.544 -1.209 1.00 0.00 H new ATOM 0 HA SER A 12 -8.797 9.972 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.953 10.378 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.030 8.825 -2.495 1.00 0.00 H new ATOM 0 HG SER A 12 -11.919 8.744 -0.355 1.00 0.00 H new ATOM 184 N ALA A 13 -8.784 11.232 -0.300 1.00 0.00 N ATOM 185 CA ALA A 13 -8.234 11.944 0.847 1.00 0.00 C ATOM 186 C ALA A 13 -8.830 11.428 2.152 1.00 0.00 C ATOM 187 O ALA A 13 -10.035 11.532 2.379 1.00 0.00 O ATOM 188 CB ALA A 13 -8.481 13.439 0.707 1.00 0.00 C ATOM 0 H ALA A 13 -9.477 11.759 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.159 11.764 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.065 13.959 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.002 13.803 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.553 13.627 0.652 1.00 0.00 H new ATOM 194 N GLY A 14 -7.978 10.871 3.006 1.00 0.00 N ATOM 195 CA GLY A 14 -8.438 10.348 4.278 1.00 0.00 C ATOM 196 C GLY A 14 -7.460 10.619 5.405 1.00 0.00 C ATOM 197 O GLY A 14 -6.888 11.706 5.491 1.00 0.00 O ATOM 0 H GLY A 14 -6.977 10.773 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.402 10.793 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.597 9.273 4.189 1.00 0.00 H new ATOM 201 N LYS A 15 -7.269 9.630 6.271 1.00 0.00 N ATOM 202 CA LYS A 15 -6.353 9.767 7.398 1.00 0.00 C ATOM 203 C LYS A 15 -5.983 8.400 7.965 1.00 0.00 C ATOM 204 O LYS A 15 -6.819 7.500 8.037 1.00 0.00 O ATOM 205 CB LYS A 15 -6.983 10.632 8.491 1.00 0.00 C ATOM 206 CG LYS A 15 -5.994 11.090 9.550 1.00 0.00 C ATOM 207 CD LYS A 15 -6.067 10.222 10.795 1.00 0.00 C ATOM 208 CE LYS A 15 -7.118 10.731 11.768 1.00 0.00 C ATOM 209 NZ LYS A 15 -8.473 10.201 11.450 1.00 0.00 N ATOM 0 H LYS A 15 -7.736 8.725 6.215 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.444 10.251 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.441 11.507 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.783 10.069 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.983 11.059 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.199 12.127 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.299 9.196 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.094 10.205 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.844 10.441 12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.139 11.820 11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.077 10.262 12.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.894 10.762 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.396 9.208 11.151 1.00 0.00 H new ATOM 223 N LEU A 16 -4.725 8.253 8.368 1.00 0.00 N ATOM 224 CA LEU A 16 -4.243 6.996 8.929 1.00 0.00 C ATOM 225 C LEU A 16 -4.883 6.726 10.287 1.00 0.00 C ATOM 226 O LEU A 16 -4.422 7.230 11.312 1.00 0.00 O ATOM 227 CB LEU A 16 -2.720 7.028 9.069 1.00 0.00 C ATOM 228 CG LEU A 16 -2.051 5.659 9.213 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.494 4.726 8.096 1.00 0.00 C ATOM 230 CD2 LEU A 16 -0.537 5.806 9.216 1.00 0.00 C ATOM 0 H LEU A 16 -4.021 8.989 8.316 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.523 6.192 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.301 7.529 8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.463 7.633 9.938 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.358 5.224 10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.007 3.758 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.575 4.596 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.217 5.154 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.076 4.824 9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.214 6.262 8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.234 6.438 10.051 1.00 0.00 H new ATOM 242 N THR A 17 -5.947 5.929 10.289 1.00 0.00 N ATOM 243 CA THR A 17 -6.649 5.595 11.523 1.00 0.00 C ATOM 244 C THR A 17 -5.870 4.566 12.339 1.00 0.00 C ATOM 245 O THR A 17 -5.772 4.677 13.561 1.00 0.00 O ATOM 246 CB THR A 17 -8.051 5.067 11.212 1.00 0.00 C ATOM 247 OG1 THR A 17 -8.800 4.902 12.403 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.046 3.739 10.487 1.00 0.00 C ATOM 0 H THR A 17 -6.342 5.503 9.450 1.00 0.00 H new ATOM 0 HA THR A 17 -6.736 6.505 12.116 1.00 0.00 H new ATOM 0 HB THR A 17 -8.502 5.816 10.561 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.694 4.565 12.183 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.072 3.424 10.298 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.518 3.844 9.539 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.544 2.991 11.101 1.00 0.00 H new ATOM 256 N GLN A 18 -5.320 3.564 11.658 1.00 0.00 N ATOM 257 CA GLN A 18 -4.554 2.518 12.327 1.00 0.00 C ATOM 258 C GLN A 18 -3.762 1.689 11.317 1.00 0.00 C ATOM 259 O GLN A 18 -3.564 2.108 10.177 1.00 0.00 O ATOM 260 CB GLN A 18 -5.491 1.614 13.133 1.00 0.00 C ATOM 261 CG GLN A 18 -4.933 1.215 14.489 1.00 0.00 C ATOM 262 CD GLN A 18 -5.346 -0.185 14.900 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.534 -0.492 14.991 1.00 0.00 O ATOM 264 NE2 GLN A 18 -4.363 -1.042 15.151 1.00 0.00 N ATOM 0 H GLN A 18 -5.390 3.455 10.646 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.846 2.994 13.006 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.442 2.127 13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.699 0.713 12.556 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.845 1.276 14.462 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.274 1.926 15.242 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.392 -0.744 15.063 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.579 -1.998 15.432 1.00 0.00 H new ATOM 273 N TYR A 19 -3.311 0.511 11.744 1.00 0.00 N ATOM 274 CA TYR A 19 -2.542 -0.374 10.876 1.00 0.00 C ATOM 275 C TYR A 19 -2.759 -1.835 11.259 1.00 0.00 C ATOM 276 O TYR A 19 -2.866 -2.168 12.439 1.00 0.00 O ATOM 277 CB TYR A 19 -1.054 -0.030 10.953 1.00 0.00 C ATOM 278 CG TYR A 19 -0.501 -0.038 12.360 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.617 1.079 13.178 1.00 0.00 C ATOM 280 CD2 TYR A 19 0.136 -1.162 12.871 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.113 1.077 14.465 1.00 0.00 C ATOM 282 CE2 TYR A 19 0.642 -1.172 14.157 1.00 0.00 C ATOM 283 CZ TYR A 19 0.515 -0.051 14.949 1.00 0.00 C ATOM 284 OH TYR A 19 1.018 -0.058 16.230 1.00 0.00 O ATOM 0 H TYR A 19 -3.465 0.149 12.685 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.889 -0.230 9.853 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.494 -0.742 10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.895 0.955 10.515 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.109 1.964 12.802 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.237 -2.042 12.253 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.211 1.954 15.088 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.134 -2.054 14.540 1.00 0.00 H new ATOM 0 HH TYR A 19 1.428 -0.929 16.416 1.00 0.00 H new ATOM 294 N THR A 20 -2.825 -2.701 10.253 1.00 0.00 N ATOM 295 CA THR A 20 -3.033 -4.127 10.480 1.00 0.00 C ATOM 296 C THR A 20 -1.708 -4.888 10.496 1.00 0.00 C ATOM 297 O THR A 20 -1.654 -6.040 10.928 1.00 0.00 O ATOM 298 CB THR A 20 -3.951 -4.705 9.403 1.00 0.00 C ATOM 299 OG1 THR A 20 -3.257 -4.848 8.176 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.176 -3.856 9.141 1.00 0.00 C ATOM 0 H THR A 20 -2.737 -2.440 9.271 1.00 0.00 H new ATOM 0 HA THR A 20 -3.503 -4.243 11.456 1.00 0.00 H new ATOM 0 HB THR A 20 -4.275 -5.672 9.789 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.660 -5.574 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.784 -4.324 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.760 -3.768 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.867 -2.864 8.811 1.00 0.00 H new ATOM 308 N VAL A 21 -0.644 -4.246 10.023 1.00 0.00 N ATOM 309 CA VAL A 21 0.670 -4.877 9.986 1.00 0.00 C ATOM 310 C VAL A 21 1.784 -3.848 10.144 1.00 0.00 C ATOM 311 O VAL A 21 1.677 -2.721 9.662 1.00 0.00 O ATOM 312 CB VAL A 21 0.885 -5.651 8.672 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.104 -6.802 8.563 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.765 -4.720 7.474 1.00 0.00 C ATOM 0 H VAL A 21 -0.666 -3.293 9.661 1.00 0.00 H new ATOM 0 HA VAL A 21 0.706 -5.575 10.822 1.00 0.00 H new ATOM 0 HB VAL A 21 1.893 -6.066 8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.063 -7.338 7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.037 -7.483 9.402 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.121 -6.411 8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.920 -5.287 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.228 -4.271 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.517 -3.934 7.547 1.00 0.00 H new ATOM 324 N GLU A 22 2.854 -4.247 10.824 1.00 0.00 N ATOM 325 CA GLU A 22 3.993 -3.364 11.050 1.00 0.00 C ATOM 326 C GLU A 22 4.727 -3.076 9.744 1.00 0.00 C ATOM 327 O GLU A 22 4.315 -3.528 8.676 1.00 0.00 O ATOM 328 CB GLU A 22 4.955 -3.990 12.060 1.00 0.00 C ATOM 329 CG GLU A 22 5.588 -5.285 11.575 1.00 0.00 C ATOM 330 CD GLU A 22 5.507 -6.396 12.604 1.00 0.00 C ATOM 331 OE1 GLU A 22 5.925 -6.167 13.759 1.00 0.00 O ATOM 332 OE2 GLU A 22 5.025 -7.494 12.255 1.00 0.00 O ATOM 0 H GLU A 22 2.956 -5.178 11.229 1.00 0.00 H new ATOM 0 HA GLU A 22 3.617 -2.422 11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.744 -3.274 12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.418 -4.183 12.989 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.092 -5.607 10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.633 -5.103 11.325 1.00 0.00 H new ATOM 339 N ASP A 23 5.819 -2.324 9.839 1.00 0.00 N ATOM 340 CA ASP A 23 6.613 -1.978 8.666 1.00 0.00 C ATOM 341 C ASP A 23 7.140 -3.234 7.979 1.00 0.00 C ATOM 342 O ASP A 23 7.818 -4.055 8.599 1.00 0.00 O ATOM 343 CB ASP A 23 7.780 -1.073 9.064 1.00 0.00 C ATOM 344 CG ASP A 23 8.725 -1.742 10.043 1.00 0.00 C ATOM 345 OD1 ASP A 23 8.362 -1.858 11.232 1.00 0.00 O ATOM 346 OD2 ASP A 23 9.827 -2.150 9.620 1.00 0.00 O ATOM 0 H ASP A 23 6.174 -1.943 10.716 1.00 0.00 H new ATOM 0 HA ASP A 23 5.971 -1.444 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.333 -0.784 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.390 -0.157 9.508 1.00 0.00 H new ATOM 351 N GLY A 24 6.823 -3.379 6.698 1.00 0.00 N ATOM 352 CA GLY A 24 7.271 -4.539 5.950 1.00 0.00 C ATOM 353 C GLY A 24 6.459 -5.780 6.264 1.00 0.00 C ATOM 354 O GLY A 24 6.947 -6.901 6.120 1.00 0.00 O ATOM 0 H GLY A 24 6.264 -2.714 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.206 -4.327 4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.321 -4.729 6.174 1.00 0.00 H new ATOM 358 N GLY A 25 5.217 -5.580 6.694 1.00 0.00 N ATOM 359 CA GLY A 25 4.357 -6.702 7.023 1.00 0.00 C ATOM 360 C GLY A 25 3.984 -7.523 5.804 1.00 0.00 C ATOM 361 O GLY A 25 3.278 -7.043 4.916 1.00 0.00 O ATOM 0 H GLY A 25 4.791 -4.662 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.861 -7.342 7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.449 -6.333 7.500 1.00 0.00 H new ATOM 365 N HIS A 26 4.459 -8.763 5.760 1.00 0.00 N ATOM 366 CA HIS A 26 4.171 -9.652 4.640 1.00 0.00 C ATOM 367 C HIS A 26 2.674 -9.918 4.525 1.00 0.00 C ATOM 368 O HIS A 26 2.049 -10.421 5.460 1.00 0.00 O ATOM 369 CB HIS A 26 4.924 -10.973 4.804 1.00 0.00 C ATOM 370 CG HIS A 26 4.621 -11.679 6.090 1.00 0.00 C ATOM 371 ND1 HIS A 26 5.299 -11.428 7.264 1.00 0.00 N ATOM 372 CD2 HIS A 26 3.706 -12.632 6.383 1.00 0.00 C ATOM 373 CE1 HIS A 26 4.815 -12.197 8.223 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.847 -12.936 7.714 1.00 0.00 N ATOM 0 H HIS A 26 5.045 -9.175 6.486 1.00 0.00 H new ATOM 0 HA HIS A 26 4.505 -9.162 3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.674 -11.630 3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.995 -10.780 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.997 -13.072 5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.154 -12.217 9.248 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.293 -13.622 8.227 1.00 0.00 H new ATOM 383 N VAL A 27 2.103 -9.578 3.374 1.00 0.00 N ATOM 384 CA VAL A 27 0.679 -9.781 3.137 1.00 0.00 C ATOM 385 C VAL A 27 0.409 -10.137 1.679 1.00 0.00 C ATOM 386 O VAL A 27 1.011 -9.567 0.769 1.00 0.00 O ATOM 387 CB VAL A 27 -0.136 -8.527 3.508 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.008 -8.227 4.993 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.306 -7.334 2.675 1.00 0.00 C ATOM 0 H VAL A 27 2.605 -9.160 2.591 1.00 0.00 H new ATOM 0 HA VAL A 27 0.367 -10.609 3.773 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.186 -8.722 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.590 -7.338 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.381 -9.074 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.039 -8.053 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.282 -6.459 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.362 -7.134 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.155 -7.552 1.618 1.00 0.00 H new ATOM 399 N GLU A 28 -0.500 -11.082 1.464 1.00 0.00 N ATOM 400 CA GLU A 28 -0.849 -11.512 0.115 1.00 0.00 C ATOM 401 C GLU A 28 -1.905 -10.593 -0.492 1.00 0.00 C ATOM 402 O GLU A 28 -2.597 -9.868 0.223 1.00 0.00 O ATOM 403 CB GLU A 28 -1.355 -12.957 0.130 1.00 0.00 C ATOM 404 CG GLU A 28 -2.729 -13.118 0.763 1.00 0.00 C ATOM 405 CD GLU A 28 -2.732 -14.109 1.911 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.285 -13.738 3.017 1.00 0.00 O ATOM 407 OE2 GLU A 28 -3.183 -15.255 1.705 1.00 0.00 O ATOM 0 H GLU A 28 -1.008 -11.564 2.206 1.00 0.00 H new ATOM 0 HA GLU A 28 0.049 -11.459 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.390 -13.331 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.641 -13.577 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.074 -12.149 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.438 -13.446 0.003 1.00 0.00 H new ATOM 414 N ALA A 29 -2.026 -10.631 -1.816 1.00 0.00 N ATOM 415 CA ALA A 29 -2.999 -9.804 -2.524 1.00 0.00 C ATOM 416 C ALA A 29 -4.378 -9.889 -1.875 1.00 0.00 C ATOM 417 O ALA A 29 -4.892 -10.980 -1.627 1.00 0.00 O ATOM 418 CB ALA A 29 -3.076 -10.216 -3.986 1.00 0.00 C ATOM 0 H ALA A 29 -1.461 -11.227 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.665 -8.768 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.805 -9.591 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.098 -10.092 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.380 -11.260 -4.054 1.00 0.00 H new ATOM 424 N GLY A 30 -4.973 -8.731 -1.604 1.00 0.00 N ATOM 425 CA GLY A 30 -6.286 -8.699 -0.988 1.00 0.00 C ATOM 426 C GLY A 30 -6.221 -8.560 0.521 1.00 0.00 C ATOM 427 O GLY A 30 -7.177 -8.109 1.150 1.00 0.00 O ATOM 0 H GLY A 30 -4.569 -7.815 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.857 -7.867 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.824 -9.612 -1.242 1.00 0.00 H new ATOM 431 N SER A 31 -5.091 -8.950 1.103 1.00 0.00 N ATOM 432 CA SER A 31 -4.908 -8.866 2.547 1.00 0.00 C ATOM 433 C SER A 31 -4.754 -7.416 2.993 1.00 0.00 C ATOM 434 O SER A 31 -3.927 -6.676 2.459 1.00 0.00 O ATOM 435 CB SER A 31 -3.683 -9.676 2.975 1.00 0.00 C ATOM 436 OG SER A 31 -3.399 -9.484 4.350 1.00 0.00 O ATOM 0 H SER A 31 -4.289 -9.327 0.597 1.00 0.00 H new ATOM 0 HA SER A 31 -5.795 -9.282 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.857 -10.734 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.821 -9.380 2.378 1.00 0.00 H new ATOM 0 HG SER A 31 -2.613 -10.014 4.599 1.00 0.00 H new ATOM 442 N SER A 32 -5.555 -7.015 3.975 1.00 0.00 N ATOM 443 CA SER A 32 -5.507 -5.653 4.492 1.00 0.00 C ATOM 444 C SER A 32 -4.185 -5.388 5.205 1.00 0.00 C ATOM 445 O SER A 32 -3.715 -6.212 5.990 1.00 0.00 O ATOM 446 CB SER A 32 -6.675 -5.407 5.449 1.00 0.00 C ATOM 447 OG SER A 32 -6.698 -6.373 6.486 1.00 0.00 O ATOM 0 H SER A 32 -6.245 -7.614 4.428 1.00 0.00 H new ATOM 0 HA SER A 32 -5.587 -4.968 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.592 -4.409 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.614 -5.439 4.897 1.00 0.00 H new ATOM 0 HG SER A 32 -7.453 -6.192 7.085 1.00 0.00 H new ATOM 453 N TYR A 33 -3.590 -4.233 4.927 1.00 0.00 N ATOM 454 CA TYR A 33 -2.321 -3.858 5.541 1.00 0.00 C ATOM 455 C TYR A 33 -2.493 -2.673 6.492 1.00 0.00 C ATOM 456 O TYR A 33 -1.615 -2.389 7.307 1.00 0.00 O ATOM 457 CB TYR A 33 -1.288 -3.519 4.462 1.00 0.00 C ATOM 458 CG TYR A 33 -1.555 -2.211 3.750 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.094 -1.009 4.272 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.266 -2.179 2.557 1.00 0.00 C ATOM 461 CE1 TYR A 33 -1.334 0.189 3.626 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.510 -0.985 1.905 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.042 0.195 2.443 1.00 0.00 C ATOM 464 OH TYR A 33 -2.284 1.386 1.797 1.00 0.00 O ATOM 0 H TYR A 33 -3.966 -3.540 4.280 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.966 -4.710 6.121 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.299 -3.478 4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.266 -4.324 3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.539 -1.011 5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.634 -3.101 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.969 1.115 4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.065 -0.976 0.978 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.093 2.132 2.403 1.00 0.00 H new ATOM 474 N ALA A 34 -3.626 -1.984 6.382 1.00 0.00 N ATOM 475 CA ALA A 34 -3.905 -0.833 7.231 1.00 0.00 C ATOM 476 C ALA A 34 -5.334 -0.343 7.034 1.00 0.00 C ATOM 477 O ALA A 34 -6.141 -0.998 6.374 1.00 0.00 O ATOM 478 CB ALA A 34 -2.918 0.287 6.940 1.00 0.00 C ATOM 0 H ALA A 34 -4.364 -2.204 5.713 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.793 -1.142 8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.137 1.141 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.904 -0.062 7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.004 0.586 5.895 1.00 0.00 H new ATOM 484 N GLU A 35 -5.641 0.812 7.613 1.00 0.00 N ATOM 485 CA GLU A 35 -6.974 1.390 7.503 1.00 0.00 C ATOM 486 C GLU A 35 -6.903 2.912 7.490 1.00 0.00 C ATOM 487 O GLU A 35 -5.875 3.498 7.831 1.00 0.00 O ATOM 488 CB GLU A 35 -7.855 0.919 8.664 1.00 0.00 C ATOM 489 CG GLU A 35 -7.680 -0.551 9.007 1.00 0.00 C ATOM 490 CD GLU A 35 -8.852 -1.110 9.791 1.00 0.00 C ATOM 491 OE1 GLU A 35 -9.598 -0.310 10.393 1.00 0.00 O ATOM 492 OE2 GLU A 35 -9.022 -2.347 9.802 1.00 0.00 O ATOM 0 H GLU A 35 -4.985 1.366 8.163 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.414 1.055 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.629 1.518 9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.900 1.102 8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.557 -1.123 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.766 -0.679 9.587 1.00 0.00 H new ATOM 499 N MET A 36 -8.000 3.549 7.095 1.00 0.00 N ATOM 500 CA MET A 36 -8.057 5.004 7.041 1.00 0.00 C ATOM 501 C MET A 36 -9.485 5.500 7.244 1.00 0.00 C ATOM 502 O MET A 36 -10.396 5.121 6.508 1.00 0.00 O ATOM 503 CB MET A 36 -7.511 5.508 5.703 1.00 0.00 C ATOM 504 CG MET A 36 -8.369 5.120 4.509 1.00 0.00 C ATOM 505 SD MET A 36 -7.453 5.151 2.956 1.00 0.00 S ATOM 506 CE MET A 36 -8.662 5.895 1.864 1.00 0.00 C ATOM 0 H MET A 36 -8.860 3.081 6.808 1.00 0.00 H new ATOM 0 HA MET A 36 -7.438 5.398 7.847 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.426 6.594 5.741 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.505 5.114 5.560 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.774 4.121 4.667 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.217 5.801 4.440 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.177 6.648 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.099 5.126 1.227 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.447 6.365 2.457 1.00 0.00 H new ATOM 516 N GLU A 37 -9.673 6.349 8.249 1.00 0.00 N ATOM 517 CA GLU A 37 -10.990 6.896 8.551 1.00 0.00 C ATOM 518 C GLU A 37 -11.229 8.194 7.788 1.00 0.00 C ATOM 519 O GLU A 37 -10.644 9.230 8.105 1.00 0.00 O ATOM 520 CB GLU A 37 -11.132 7.141 10.055 1.00 0.00 C ATOM 521 CG GLU A 37 -12.565 7.377 10.501 1.00 0.00 C ATOM 522 CD GLU A 37 -12.869 8.843 10.737 1.00 0.00 C ATOM 523 OE1 GLU A 37 -12.250 9.694 10.064 1.00 0.00 O ATOM 524 OE2 GLU A 37 -13.725 9.141 11.596 1.00 0.00 O ATOM 0 H GLU A 37 -8.930 6.673 8.868 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.738 6.168 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.729 6.283 10.594 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.527 8.004 10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.246 6.986 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.753 6.819 11.418 1.00 0.00 H new ATOM 531 N VAL A 38 -12.095 8.130 6.783 1.00 0.00 N ATOM 532 CA VAL A 38 -12.417 9.300 5.974 1.00 0.00 C ATOM 533 C VAL A 38 -13.630 10.031 6.542 1.00 0.00 C ATOM 534 O VAL A 38 -14.291 9.534 7.453 1.00 0.00 O ATOM 535 CB VAL A 38 -12.701 8.916 4.505 1.00 0.00 C ATOM 536 CG1 VAL A 38 -12.411 10.087 3.579 1.00 0.00 C ATOM 537 CG2 VAL A 38 -11.888 7.696 4.095 1.00 0.00 C ATOM 0 H VAL A 38 -12.587 7.280 6.509 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.547 9.956 6.002 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.758 8.663 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.617 9.796 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.044 10.932 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.364 10.374 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.106 7.446 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.825 7.915 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.150 6.853 4.734 1.00 0.00 H new ATOM 547 N MET A 39 -13.919 11.210 6.001 1.00 0.00 N ATOM 548 CA MET A 39 -15.055 12.001 6.461 1.00 0.00 C ATOM 549 C MET A 39 -16.355 11.215 6.320 1.00 0.00 C ATOM 550 O MET A 39 -17.302 11.422 7.079 1.00 0.00 O ATOM 551 CB MET A 39 -15.146 13.308 5.672 1.00 0.00 C ATOM 552 CG MET A 39 -13.813 14.022 5.521 1.00 0.00 C ATOM 553 SD MET A 39 -13.962 15.813 5.667 1.00 0.00 S ATOM 554 CE MET A 39 -13.917 16.298 3.943 1.00 0.00 C ATOM 0 H MET A 39 -13.384 11.638 5.245 1.00 0.00 H new ATOM 0 HA MET A 39 -14.903 12.233 7.515 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.550 13.097 4.682 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.851 13.974 6.169 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.122 13.656 6.280 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.381 13.775 4.551 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.999 17.382 3.868 1.00 0.00 H new ATOM 0 HE2 MET A 39 -12.976 15.974 3.498 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.748 15.833 3.413 1.00 0.00 H new ATOM 564 N LYS A 40 -16.392 10.311 5.346 1.00 0.00 N ATOM 565 CA LYS A 40 -17.574 9.492 5.109 1.00 0.00 C ATOM 566 C LYS A 40 -17.664 8.362 6.129 1.00 0.00 C ATOM 567 O LYS A 40 -18.491 8.398 7.040 1.00 0.00 O ATOM 568 CB LYS A 40 -17.545 8.915 3.692 1.00 0.00 C ATOM 569 CG LYS A 40 -18.051 9.879 2.632 1.00 0.00 C ATOM 570 CD LYS A 40 -16.985 10.892 2.246 1.00 0.00 C ATOM 571 CE LYS A 40 -17.455 11.792 1.115 1.00 0.00 C ATOM 572 NZ LYS A 40 -16.314 12.423 0.397 1.00 0.00 N ATOM 0 H LYS A 40 -15.617 10.128 4.709 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.454 10.127 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.523 8.624 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.150 8.009 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.361 9.320 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.933 10.401 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.728 11.500 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.078 10.369 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.050 11.210 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.106 12.569 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.677 13.029 -0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.761 12.999 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.706 11.682 -0.008 1.00 0.00 H new ATOM 586 N MET A 41 -16.806 7.358 5.971 1.00 0.00 N ATOM 587 CA MET A 41 -16.788 6.217 6.879 1.00 0.00 C ATOM 588 C MET A 41 -15.391 5.610 6.963 1.00 0.00 C ATOM 589 O MET A 41 -14.445 6.116 6.359 1.00 0.00 O ATOM 590 CB MET A 41 -17.790 5.157 6.418 1.00 0.00 C ATOM 591 CG MET A 41 -19.189 5.359 6.977 1.00 0.00 C ATOM 592 SD MET A 41 -20.183 3.855 6.923 1.00 0.00 S ATOM 593 CE MET A 41 -20.227 3.542 5.160 1.00 0.00 C ATOM 0 H MET A 41 -16.115 7.312 5.223 1.00 0.00 H new ATOM 0 HA MET A 41 -17.072 6.569 7.871 1.00 0.00 H new ATOM 0 HB2 MET A 41 -17.838 5.164 5.329 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.428 4.173 6.715 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.117 5.706 8.008 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.692 6.143 6.411 1.00 0.00 H new ATOM 0 HE1 MET A 41 -20.921 2.728 4.952 1.00 0.00 H new ATOM 0 HE2 MET A 41 -20.556 4.441 4.639 1.00 0.00 H new ATOM 0 HE3 MET A 41 -19.231 3.267 4.814 1.00 0.00 H new ATOM 603 N ILE A 42 -15.269 4.521 7.716 1.00 0.00 N ATOM 604 CA ILE A 42 -13.989 3.841 7.879 1.00 0.00 C ATOM 605 C ILE A 42 -13.712 2.911 6.702 1.00 0.00 C ATOM 606 O ILE A 42 -14.637 2.380 6.087 1.00 0.00 O ATOM 607 CB ILE A 42 -13.951 3.027 9.189 1.00 0.00 C ATOM 608 CG1 ILE A 42 -12.599 2.327 9.352 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.084 2.012 9.214 1.00 0.00 C ATOM 610 CD1 ILE A 42 -11.422 3.277 9.382 1.00 0.00 C ATOM 0 H ILE A 42 -16.042 4.090 8.223 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.219 4.611 7.918 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.082 3.714 10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.609 1.746 10.274 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.464 1.621 8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.044 1.445 10.144 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.040 2.532 9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -14.981 1.331 8.369 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.499 2.709 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.385 3.840 8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.533 3.967 10.218 1.00 0.00 H new ATOM 622 N MET A 43 -12.433 2.719 6.393 1.00 0.00 N ATOM 623 CA MET A 43 -12.039 1.852 5.289 1.00 0.00 C ATOM 624 C MET A 43 -10.743 1.113 5.607 1.00 0.00 C ATOM 625 O MET A 43 -9.993 1.511 6.499 1.00 0.00 O ATOM 626 CB MET A 43 -11.872 2.669 4.006 1.00 0.00 C ATOM 627 CG MET A 43 -13.185 2.972 3.303 1.00 0.00 C ATOM 628 SD MET A 43 -13.823 1.557 2.384 1.00 0.00 S ATOM 629 CE MET A 43 -13.673 2.151 0.701 1.00 0.00 C ATOM 0 H MET A 43 -11.654 3.151 6.890 1.00 0.00 H new ATOM 0 HA MET A 43 -12.828 1.114 5.143 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.372 3.608 4.245 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.220 2.126 3.322 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.924 3.284 4.041 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.042 3.810 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.029 1.385 0.012 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.270 3.055 0.580 1.00 0.00 H new ATOM 0 HE3 MET A 43 -12.628 2.375 0.486 1.00 0.00 H new ATOM 639 N THR A 44 -10.487 0.036 4.872 1.00 0.00 N ATOM 640 CA THR A 44 -9.283 -0.762 5.073 1.00 0.00 C ATOM 641 C THR A 44 -8.432 -0.792 3.808 1.00 0.00 C ATOM 642 O THR A 44 -8.937 -1.047 2.714 1.00 0.00 O ATOM 643 CB THR A 44 -9.651 -2.190 5.486 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.024 -2.280 5.822 1.00 0.00 O ATOM 645 CG2 THR A 44 -8.856 -2.694 6.671 1.00 0.00 C ATOM 0 H THR A 44 -11.099 -0.305 4.130 1.00 0.00 H new ATOM 0 HA THR A 44 -8.702 -0.299 5.871 1.00 0.00 H new ATOM 0 HB THR A 44 -9.416 -2.808 4.620 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.238 -3.201 6.081 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.166 -3.711 6.911 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.794 -2.687 6.426 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.035 -2.048 7.530 1.00 0.00 H new ATOM 653 N LEU A 45 -7.138 -0.534 3.964 1.00 0.00 N ATOM 654 CA LEU A 45 -6.218 -0.536 2.833 1.00 0.00 C ATOM 655 C LEU A 45 -5.577 -1.910 2.663 1.00 0.00 C ATOM 656 O LEU A 45 -5.059 -2.486 3.620 1.00 0.00 O ATOM 657 CB LEU A 45 -5.134 0.526 3.026 1.00 0.00 C ATOM 658 CG LEU A 45 -5.653 1.952 3.226 1.00 0.00 C ATOM 659 CD1 LEU A 45 -5.771 2.274 4.708 1.00 0.00 C ATOM 660 CD2 LEU A 45 -4.743 2.954 2.532 1.00 0.00 C ATOM 0 H LEU A 45 -6.703 -0.321 4.862 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.785 -0.302 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.528 0.252 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.476 0.514 2.157 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.645 2.023 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.141 3.292 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.464 1.576 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.792 2.185 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.128 3.962 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.738 2.882 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.710 2.737 1.464 1.00 0.00 H new ATOM 672 N ASN A 46 -5.618 -2.431 1.441 1.00 0.00 N ATOM 673 CA ASN A 46 -5.043 -3.739 1.151 1.00 0.00 C ATOM 674 C ASN A 46 -4.087 -3.664 -0.035 1.00 0.00 C ATOM 675 O ASN A 46 -4.007 -2.642 -0.718 1.00 0.00 O ATOM 676 CB ASN A 46 -6.151 -4.753 0.863 1.00 0.00 C ATOM 677 CG ASN A 46 -6.988 -4.369 -0.341 1.00 0.00 C ATOM 678 OD1 ASN A 46 -6.722 -4.805 -1.461 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.007 -3.548 -0.115 1.00 0.00 N ATOM 0 H ASN A 46 -6.043 -1.968 0.637 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.481 -4.063 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.707 -5.734 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.796 -4.840 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.606 -3.254 -0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.191 -3.211 0.830 1.00 0.00 H new ATOM 686 N VAL A 47 -3.364 -4.753 -0.274 1.00 0.00 N ATOM 687 CA VAL A 47 -2.412 -4.813 -1.376 1.00 0.00 C ATOM 688 C VAL A 47 -3.051 -5.416 -2.623 1.00 0.00 C ATOM 689 O VAL A 47 -3.952 -6.249 -2.530 1.00 0.00 O ATOM 690 CB VAL A 47 -1.168 -5.640 -0.999 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.436 -4.998 0.169 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.555 -7.076 -0.672 1.00 0.00 C ATOM 0 H VAL A 47 -3.420 -5.607 0.282 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.108 -3.788 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.495 -5.659 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.440 -5.595 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.122 -3.992 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.101 -4.946 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.662 -7.643 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.250 -7.083 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.030 -7.532 -1.541 1.00 0.00 H new ATOM 702 N GLN A 48 -2.576 -4.992 -3.789 1.00 0.00 N ATOM 703 CA GLN A 48 -3.100 -5.494 -5.055 1.00 0.00 C ATOM 704 C GLN A 48 -2.397 -6.785 -5.474 1.00 0.00 C ATOM 705 O GLN A 48 -2.863 -7.492 -6.367 1.00 0.00 O ATOM 706 CB GLN A 48 -2.958 -4.438 -6.157 1.00 0.00 C ATOM 707 CG GLN A 48 -1.613 -3.728 -6.169 1.00 0.00 C ATOM 708 CD GLN A 48 -0.441 -4.689 -6.225 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.210 -5.345 -7.241 1.00 0.00 O ATOM 710 NE2 GLN A 48 0.305 -4.778 -5.130 1.00 0.00 N ATOM 0 H GLN A 48 -1.830 -4.303 -3.884 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.158 -5.713 -4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.113 -4.915 -7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.747 -3.696 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.569 -3.058 -7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.526 -3.108 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.077 -4.215 -4.310 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.106 -5.409 -5.109 1.00 0.00 H new ATOM 719 N GLU A 49 -1.274 -7.088 -4.826 1.00 0.00 N ATOM 720 CA GLU A 49 -0.516 -8.294 -5.140 1.00 0.00 C ATOM 721 C GLU A 49 0.308 -8.748 -3.939 1.00 0.00 C ATOM 722 O GLU A 49 0.433 -8.025 -2.950 1.00 0.00 O ATOM 723 CB GLU A 49 0.402 -8.047 -6.339 1.00 0.00 C ATOM 724 CG GLU A 49 -0.312 -8.128 -7.678 1.00 0.00 C ATOM 725 CD GLU A 49 0.628 -7.933 -8.852 1.00 0.00 C ATOM 726 OE1 GLU A 49 1.366 -6.926 -8.861 1.00 0.00 O ATOM 727 OE2 GLU A 49 0.626 -8.789 -9.762 1.00 0.00 O ATOM 0 H GLU A 49 -0.871 -6.517 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.225 -9.083 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.859 -7.063 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.211 -8.777 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.802 -9.098 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.095 -7.371 -7.715 1.00 0.00 H new ATOM 734 N ARG A 50 0.868 -9.949 -4.033 1.00 0.00 N ATOM 735 CA ARG A 50 1.681 -10.501 -2.955 1.00 0.00 C ATOM 736 C ARG A 50 2.987 -9.728 -2.805 1.00 0.00 C ATOM 737 O ARG A 50 3.583 -9.299 -3.793 1.00 0.00 O ATOM 738 CB ARG A 50 1.978 -11.979 -3.219 1.00 0.00 C ATOM 739 CG ARG A 50 0.778 -12.887 -3.013 1.00 0.00 C ATOM 740 CD ARG A 50 -0.160 -12.852 -4.209 1.00 0.00 C ATOM 741 NE ARG A 50 0.534 -13.160 -5.457 1.00 0.00 N ATOM 742 CZ ARG A 50 0.016 -12.946 -6.665 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.197 -12.423 -6.792 1.00 0.00 N ATOM 744 NH2 ARG A 50 0.714 -13.255 -7.749 1.00 0.00 N ATOM 0 H ARG A 50 0.774 -10.559 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 50 1.118 -10.409 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.337 -12.092 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.785 -12.302 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.118 -13.909 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.238 -12.580 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.968 -13.568 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.618 -11.865 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 50 1.470 -13.562 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.738 -12.182 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.588 -12.262 -7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.647 -13.656 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.318 -13.091 -8.675 1.00 0.00 H new ATOM 758 N GLY A 51 3.426 -9.555 -1.563 1.00 0.00 N ATOM 759 CA GLY A 51 4.660 -8.834 -1.307 1.00 0.00 C ATOM 760 C GLY A 51 4.711 -8.249 0.091 1.00 0.00 C ATOM 761 O GLY A 51 3.755 -8.369 0.857 1.00 0.00 O ATOM 0 H GLY A 51 2.950 -9.901 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.506 -9.507 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.767 -8.032 -2.037 1.00 0.00 H new ATOM 765 N ARG A 52 5.830 -7.614 0.424 1.00 0.00 N ATOM 766 CA ARG A 52 6.002 -7.007 1.739 1.00 0.00 C ATOM 767 C ARG A 52 5.625 -5.529 1.707 1.00 0.00 C ATOM 768 O ARG A 52 6.219 -4.742 0.970 1.00 0.00 O ATOM 769 CB ARG A 52 7.448 -7.169 2.214 1.00 0.00 C ATOM 770 CG ARG A 52 7.663 -8.381 3.104 1.00 0.00 C ATOM 771 CD ARG A 52 8.061 -9.604 2.294 1.00 0.00 C ATOM 772 NE ARG A 52 9.495 -9.633 2.016 1.00 0.00 N ATOM 773 CZ ARG A 52 10.068 -10.480 1.163 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.334 -11.367 0.503 1.00 0.00 N ATOM 775 NH2 ARG A 52 11.379 -10.439 0.969 1.00 0.00 N ATOM 0 H ARG A 52 6.631 -7.506 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 52 5.340 -7.517 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.101 -7.247 1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.746 -6.272 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.438 -8.162 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.749 -8.593 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.779 -10.506 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.509 -9.612 1.354 1.00 0.00 H new ATOM 0 HE ARG A 52 10.092 -8.965 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.325 -11.403 0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.779 -12.013 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.948 -9.759 1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.818 -11.088 0.316 1.00 0.00 H new ATOM 789 N VAL A 53 4.632 -5.161 2.509 1.00 0.00 N ATOM 790 CA VAL A 53 4.171 -3.779 2.572 1.00 0.00 C ATOM 791 C VAL A 53 5.055 -2.943 3.491 1.00 0.00 C ATOM 792 O VAL A 53 5.214 -3.256 4.670 1.00 0.00 O ATOM 793 CB VAL A 53 2.714 -3.696 3.065 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.202 -2.266 2.987 1.00 0.00 C ATOM 795 CG2 VAL A 53 1.827 -4.632 2.260 1.00 0.00 C ATOM 0 H VAL A 53 4.131 -5.801 3.125 1.00 0.00 H new ATOM 0 HA VAL A 53 4.229 -3.381 1.559 1.00 0.00 H new ATOM 0 HB VAL A 53 2.684 -4.009 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.171 -2.229 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.822 -1.623 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.245 -1.920 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.801 -4.561 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.862 -4.351 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.182 -5.656 2.373 1.00 0.00 H new ATOM 805 N LYS A 54 5.624 -1.875 2.942 1.00 0.00 N ATOM 806 CA LYS A 54 6.489 -0.988 3.708 1.00 0.00 C ATOM 807 C LYS A 54 5.845 0.386 3.862 1.00 0.00 C ATOM 808 O LYS A 54 5.687 1.120 2.888 1.00 0.00 O ATOM 809 CB LYS A 54 7.857 -0.852 3.031 1.00 0.00 C ATOM 810 CG LYS A 54 7.863 -1.252 1.565 1.00 0.00 C ATOM 811 CD LYS A 54 9.172 -0.879 0.888 1.00 0.00 C ATOM 812 CE LYS A 54 9.431 0.618 0.956 1.00 0.00 C ATOM 813 NZ LYS A 54 9.838 1.172 -0.365 1.00 0.00 N ATOM 0 H LYS A 54 5.501 -1.603 1.967 1.00 0.00 H new ATOM 0 HA LYS A 54 6.630 -1.423 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.192 0.182 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.579 -1.467 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.702 -2.327 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.035 -0.764 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.994 -1.413 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.147 -1.197 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.531 1.127 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.212 0.818 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.743 2.208 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.828 0.918 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.228 0.778 -1.109 1.00 0.00 H new ATOM 827 N TYR A 55 5.467 0.723 5.090 1.00 0.00 N ATOM 828 CA TYR A 55 4.833 2.006 5.373 1.00 0.00 C ATOM 829 C TYR A 55 5.724 3.172 4.953 1.00 0.00 C ATOM 830 O TYR A 55 6.927 3.175 5.217 1.00 0.00 O ATOM 831 CB TYR A 55 4.501 2.115 6.862 1.00 0.00 C ATOM 832 CG TYR A 55 3.159 1.523 7.228 1.00 0.00 C ATOM 833 CD1 TYR A 55 2.749 0.305 6.700 1.00 0.00 C ATOM 834 CD2 TYR A 55 2.302 2.182 8.099 1.00 0.00 C ATOM 835 CE1 TYR A 55 1.523 -0.240 7.032 1.00 0.00 C ATOM 836 CE2 TYR A 55 1.074 1.644 8.436 1.00 0.00 C ATOM 837 CZ TYR A 55 0.690 0.434 7.899 1.00 0.00 C ATOM 838 OH TYR A 55 -0.532 -0.105 8.231 1.00 0.00 O ATOM 0 H TYR A 55 5.589 0.125 5.907 1.00 0.00 H new ATOM 0 HA TYR A 55 3.912 2.057 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.279 1.613 7.437 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.517 3.165 7.153 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.399 -0.225 6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.600 3.131 8.520 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.219 -1.189 6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.419 2.169 9.116 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.603 -1.008 7.858 1.00 0.00 H new ATOM 848 N ILE A 56 5.121 4.166 4.307 1.00 0.00 N ATOM 849 CA ILE A 56 5.851 5.347 3.859 1.00 0.00 C ATOM 850 C ILE A 56 5.515 6.547 4.739 1.00 0.00 C ATOM 851 O ILE A 56 6.400 7.178 5.316 1.00 0.00 O ATOM 852 CB ILE A 56 5.534 5.676 2.376 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.459 4.889 1.445 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.664 7.171 2.100 1.00 0.00 C ATOM 855 CD1 ILE A 56 6.472 3.401 1.713 1.00 0.00 C ATOM 0 H ILE A 56 4.126 4.176 4.082 1.00 0.00 H new ATOM 0 HA ILE A 56 6.916 5.129 3.942 1.00 0.00 H new ATOM 0 HB ILE A 56 4.502 5.383 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.152 5.060 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.473 5.276 1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.436 7.369 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.967 7.720 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.682 7.494 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.150 2.911 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.809 3.218 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.467 2.999 1.585 1.00 0.00 H new ATOM 867 N LYS A 57 4.228 6.852 4.832 1.00 0.00 N ATOM 868 CA LYS A 57 3.759 7.971 5.635 1.00 0.00 C ATOM 869 C LYS A 57 3.887 7.666 7.125 1.00 0.00 C ATOM 870 O LYS A 57 4.145 6.527 7.516 1.00 0.00 O ATOM 871 CB LYS A 57 2.306 8.283 5.283 1.00 0.00 C ATOM 872 CG LYS A 57 2.125 9.604 4.552 1.00 0.00 C ATOM 873 CD LYS A 57 2.679 10.767 5.359 1.00 0.00 C ATOM 874 CE LYS A 57 2.211 12.103 4.803 1.00 0.00 C ATOM 875 NZ LYS A 57 2.906 13.248 5.453 1.00 0.00 N ATOM 0 H LYS A 57 3.487 6.336 4.358 1.00 0.00 H new ATOM 0 HA LYS A 57 4.379 8.840 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.910 7.478 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.715 8.301 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.627 9.558 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.066 9.769 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.364 10.673 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.768 10.730 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.390 12.132 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.135 12.201 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.559 14.140 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.714 13.235 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.930 13.169 5.292 1.00 0.00 H new ATOM 889 N ARG A 58 3.705 8.690 7.952 1.00 0.00 N ATOM 890 CA ARG A 58 3.798 8.532 9.398 1.00 0.00 C ATOM 891 C ARG A 58 2.426 8.242 10.003 1.00 0.00 C ATOM 892 O ARG A 58 1.400 8.413 9.344 1.00 0.00 O ATOM 893 CB ARG A 58 4.395 9.791 10.032 1.00 0.00 C ATOM 894 CG ARG A 58 5.875 9.666 10.356 1.00 0.00 C ATOM 895 CD ARG A 58 6.194 10.222 11.735 1.00 0.00 C ATOM 896 NE ARG A 58 7.465 10.941 11.755 1.00 0.00 N ATOM 897 CZ ARG A 58 8.654 10.345 11.815 1.00 0.00 C ATOM 898 NH1 ARG A 58 8.738 9.021 11.861 1.00 0.00 N ATOM 899 NH2 ARG A 58 9.761 11.075 11.830 1.00 0.00 N ATOM 0 H ARG A 58 3.492 9.639 7.645 1.00 0.00 H new ATOM 0 HA ARG A 58 4.452 7.685 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.250 10.633 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.849 10.021 10.947 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.172 8.618 10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.459 10.197 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.394 10.892 12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.228 9.405 12.456 1.00 0.00 H new ATOM 0 HE ARG A 58 7.440 11.960 11.721 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.889 8.455 11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.651 8.569 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.701 12.093 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.672 10.619 11.876 1.00 0.00 H new ATOM 913 N PRO A 59 2.389 7.800 11.272 1.00 0.00 N ATOM 914 CA PRO A 59 1.132 7.490 11.962 1.00 0.00 C ATOM 915 C PRO A 59 0.292 8.736 12.216 1.00 0.00 C ATOM 916 O PRO A 59 0.785 9.733 12.745 1.00 0.00 O ATOM 917 CB PRO A 59 1.591 6.874 13.286 1.00 0.00 C ATOM 918 CG PRO A 59 2.964 7.411 13.501 1.00 0.00 C ATOM 919 CD PRO A 59 3.564 7.571 12.132 1.00 0.00 C ATOM 0 HA PRO A 59 0.495 6.831 11.372 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.925 7.152 14.103 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.596 5.785 13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.932 8.365 14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.558 6.730 14.111 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.260 8.409 12.093 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.117 6.682 11.829 1.00 0.00 H new ATOM 927 N GLY A 60 -0.978 8.673 11.833 1.00 0.00 N ATOM 928 CA GLY A 60 -1.869 9.803 12.023 1.00 0.00 C ATOM 929 C GLY A 60 -1.863 10.760 10.843 1.00 0.00 C ATOM 930 O GLY A 60 -2.752 11.602 10.717 1.00 0.00 O ATOM 0 H GLY A 60 -1.407 7.859 11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.883 9.438 12.184 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.578 10.342 12.924 1.00 0.00 H new ATOM 934 N ALA A 61 -0.860 10.633 9.978 1.00 0.00 N ATOM 935 CA ALA A 61 -0.744 11.495 8.806 1.00 0.00 C ATOM 936 C ALA A 61 -1.999 11.429 7.943 1.00 0.00 C ATOM 937 O ALA A 61 -2.558 10.355 7.722 1.00 0.00 O ATOM 938 CB ALA A 61 0.480 11.110 7.989 1.00 0.00 C ATOM 0 H ALA A 61 -0.116 9.941 10.067 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.631 12.522 9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.555 11.760 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.375 11.219 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.388 10.074 7.662 1.00 0.00 H new ATOM 944 N VAL A 62 -2.435 12.586 7.453 1.00 0.00 N ATOM 945 CA VAL A 62 -3.621 12.660 6.609 1.00 0.00 C ATOM 946 C VAL A 62 -3.304 12.225 5.182 1.00 0.00 C ATOM 947 O VAL A 62 -2.430 12.795 4.529 1.00 0.00 O ATOM 948 CB VAL A 62 -4.204 14.085 6.582 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.542 14.102 5.859 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.346 14.630 7.995 1.00 0.00 C ATOM 0 H VAL A 62 -1.984 13.484 7.626 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.359 11.983 7.039 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.515 14.729 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.938 15.117 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.406 13.757 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.242 13.444 6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.759 15.638 7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.013 13.986 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.367 14.657 8.474 1.00 0.00 H new ATOM 960 N LEU A 63 -4.017 11.211 4.705 1.00 0.00 N ATOM 961 CA LEU A 63 -3.809 10.699 3.355 1.00 0.00 C ATOM 962 C LEU A 63 -4.574 11.531 2.331 1.00 0.00 C ATOM 963 O LEU A 63 -5.683 11.994 2.596 1.00 0.00 O ATOM 964 CB LEU A 63 -4.247 9.235 3.269 1.00 0.00 C ATOM 965 CG LEU A 63 -3.349 8.245 4.012 1.00 0.00 C ATOM 966 CD1 LEU A 63 -1.904 8.394 3.562 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.465 8.446 5.516 1.00 0.00 C ATOM 0 H LEU A 63 -4.744 10.727 5.232 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.745 10.768 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.259 9.151 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.290 8.946 2.219 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.679 7.234 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.280 7.682 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.834 8.200 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.561 9.407 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.819 7.733 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.161 9.461 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.498 8.288 5.826 1.00 0.00 H new ATOM 979 N GLU A 64 -3.974 11.714 1.159 1.00 0.00 N ATOM 980 CA GLU A 64 -4.599 12.488 0.092 1.00 0.00 C ATOM 981 C GLU A 64 -4.872 11.607 -1.125 1.00 0.00 C ATOM 982 O GLU A 64 -4.254 10.556 -1.292 1.00 0.00 O ATOM 983 CB GLU A 64 -3.709 13.684 -0.287 1.00 0.00 C ATOM 984 CG GLU A 64 -2.806 13.447 -1.492 1.00 0.00 C ATOM 985 CD GLU A 64 -1.477 14.167 -1.374 1.00 0.00 C ATOM 986 OE1 GLU A 64 -1.401 15.150 -0.607 1.00 0.00 O ATOM 987 OE2 GLU A 64 -0.514 13.750 -2.050 1.00 0.00 O ATOM 0 H GLU A 64 -3.056 11.337 0.924 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.555 12.869 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.347 14.544 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.088 13.944 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.627 12.377 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.317 13.780 -2.395 1.00 0.00 H new ATOM 994 N ALA A 65 -5.798 12.042 -1.973 1.00 0.00 N ATOM 995 CA ALA A 65 -6.143 11.289 -3.171 1.00 0.00 C ATOM 996 C ALA A 65 -4.941 11.162 -4.100 1.00 0.00 C ATOM 997 O ALA A 65 -4.745 11.984 -4.996 1.00 0.00 O ATOM 998 CB ALA A 65 -7.307 11.949 -3.895 1.00 0.00 C ATOM 0 H ALA A 65 -6.321 12.909 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.444 10.286 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.553 11.374 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.174 11.983 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.029 12.963 -4.181 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.136 10.129 -3.877 1.00 0.00 N ATOM 1005 CA GLY A 66 -2.960 9.913 -4.699 1.00 0.00 C ATOM 1006 C GLY A 66 -1.695 9.753 -3.876 1.00 0.00 C ATOM 1007 O GLY A 66 -0.675 9.285 -4.382 1.00 0.00 O ATOM 0 H GLY A 66 -4.277 9.437 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.107 9.022 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.840 10.753 -5.383 1.00 0.00 H new ATOM 1011 N CYS A 67 -1.758 10.142 -2.605 1.00 0.00 N ATOM 1012 CA CYS A 67 -0.604 10.036 -1.717 1.00 0.00 C ATOM 1013 C CYS A 67 -0.222 8.576 -1.495 1.00 0.00 C ATOM 1014 O CYS A 67 -1.084 7.699 -1.444 1.00 0.00 O ATOM 1015 CB CYS A 67 -0.902 10.706 -0.374 1.00 0.00 C ATOM 1016 SG CYS A 67 0.468 10.639 0.805 1.00 0.00 S ATOM 0 H CYS A 67 -2.593 10.532 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 67 0.235 10.546 -2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.164 11.749 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.775 10.229 0.072 1.00 0.00 H new ATOM 0 HG CYS A 67 0.121 11.233 1.908 1.00 0.00 H new ATOM 1022 N VAL A 68 1.076 8.323 -1.362 1.00 0.00 N ATOM 1023 CA VAL A 68 1.571 6.970 -1.143 1.00 0.00 C ATOM 1024 C VAL A 68 1.454 6.577 0.326 1.00 0.00 C ATOM 1025 O VAL A 68 2.180 7.092 1.176 1.00 0.00 O ATOM 1026 CB VAL A 68 3.040 6.829 -1.585 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.461 5.368 -1.580 1.00 0.00 C ATOM 1028 CG2 VAL A 68 3.247 7.446 -2.960 1.00 0.00 C ATOM 0 H VAL A 68 1.803 9.037 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 68 0.954 6.305 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 68 3.667 7.367 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.501 5.288 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.354 4.962 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.830 4.805 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.291 7.336 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.610 6.940 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.989 8.504 -2.926 1.00 0.00 H new ATOM 1038 N VAL A 69 0.534 5.663 0.616 1.00 0.00 N ATOM 1039 CA VAL A 69 0.319 5.202 1.983 1.00 0.00 C ATOM 1040 C VAL A 69 1.337 4.135 2.375 1.00 0.00 C ATOM 1041 O VAL A 69 1.621 3.942 3.558 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.100 4.632 2.166 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.377 4.348 3.634 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.137 5.588 1.595 1.00 0.00 C ATOM 0 H VAL A 69 -0.074 5.227 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 69 0.442 6.070 2.630 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.167 3.691 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.384 3.946 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.654 3.622 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.291 5.272 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.134 5.169 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.072 6.546 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.950 5.735 0.531 1.00 0.00 H new ATOM 1054 N ALA A 70 1.882 3.443 1.380 1.00 0.00 N ATOM 1055 CA ALA A 70 2.866 2.397 1.629 1.00 0.00 C ATOM 1056 C ALA A 70 3.579 1.994 0.342 1.00 0.00 C ATOM 1057 O ALA A 70 3.456 2.663 -0.684 1.00 0.00 O ATOM 1058 CB ALA A 70 2.198 1.187 2.266 1.00 0.00 C ATOM 0 H ALA A 70 1.659 3.588 0.395 1.00 0.00 H new ATOM 0 HA ALA A 70 3.613 2.792 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.944 0.413 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.742 1.479 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.430 0.801 1.596 1.00 0.00 H new ATOM 1064 N ARG A 71 4.325 0.896 0.405 1.00 0.00 N ATOM 1065 CA ARG A 71 5.059 0.403 -0.755 1.00 0.00 C ATOM 1066 C ARG A 71 5.042 -1.122 -0.800 1.00 0.00 C ATOM 1067 O ARG A 71 5.224 -1.785 0.220 1.00 0.00 O ATOM 1068 CB ARG A 71 6.503 0.908 -0.722 1.00 0.00 C ATOM 1069 CG ARG A 71 6.714 2.199 -1.497 1.00 0.00 C ATOM 1070 CD ARG A 71 6.312 2.046 -2.955 1.00 0.00 C ATOM 1071 NE ARG A 71 7.443 2.242 -3.858 1.00 0.00 N ATOM 1072 CZ ARG A 71 7.934 3.435 -4.184 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.396 4.541 -3.684 1.00 0.00 N ATOM 1074 NH2 ARG A 71 8.966 3.524 -5.012 1.00 0.00 N ATOM 0 H ARG A 71 4.437 0.331 1.247 1.00 0.00 H new ATOM 0 HA ARG A 71 4.570 0.781 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.801 1.064 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.158 0.138 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.131 2.998 -1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.762 2.494 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.890 1.053 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.529 2.766 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 71 7.883 1.415 -4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.602 4.479 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.777 5.453 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.384 2.678 -5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.342 4.439 -5.262 1.00 0.00 H new ATOM 1088 N LEU A 72 4.820 -1.671 -1.990 1.00 0.00 N ATOM 1089 CA LEU A 72 4.778 -3.117 -2.167 1.00 0.00 C ATOM 1090 C LEU A 72 6.131 -3.650 -2.629 1.00 0.00 C ATOM 1091 O LEU A 72 6.648 -3.246 -3.669 1.00 0.00 O ATOM 1092 CB LEU A 72 3.694 -3.498 -3.178 1.00 0.00 C ATOM 1093 CG LEU A 72 2.499 -4.252 -2.591 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.967 -5.478 -1.822 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.681 -3.337 -1.691 1.00 0.00 C ATOM 0 H LEU A 72 4.667 -1.136 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 72 4.541 -3.568 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.331 -2.589 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.145 -4.112 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 72 1.864 -4.584 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.104 -6.002 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.510 -6.143 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.624 -5.169 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.835 -3.890 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.307 -2.975 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.315 -2.490 -2.270 1.00 0.00 H new ATOM 1107 N GLU A 73 6.697 -4.562 -1.847 1.00 0.00 N ATOM 1108 CA GLU A 73 7.987 -5.156 -2.175 1.00 0.00 C ATOM 1109 C GLU A 73 7.808 -6.411 -3.024 1.00 0.00 C ATOM 1110 O GLU A 73 7.911 -7.531 -2.523 1.00 0.00 O ATOM 1111 CB GLU A 73 8.755 -5.495 -0.896 1.00 0.00 C ATOM 1112 CG GLU A 73 10.135 -6.079 -1.152 1.00 0.00 C ATOM 1113 CD GLU A 73 11.105 -5.060 -1.716 1.00 0.00 C ATOM 1114 OE1 GLU A 73 11.667 -4.273 -0.925 1.00 0.00 O ATOM 1115 OE2 GLU A 73 11.302 -5.047 -2.950 1.00 0.00 O ATOM 0 H GLU A 73 6.282 -4.906 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 73 8.559 -4.429 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.858 -4.592 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.172 -6.205 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.535 -6.478 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.048 -6.915 -1.846 1.00 0.00 H new ATOM 1122 N LEU A 74 7.539 -6.216 -4.310 1.00 0.00 N ATOM 1123 CA LEU A 74 7.345 -7.333 -5.227 1.00 0.00 C ATOM 1124 C LEU A 74 8.621 -8.160 -5.355 1.00 0.00 C ATOM 1125 O LEU A 74 8.573 -9.390 -5.388 1.00 0.00 O ATOM 1126 CB LEU A 74 6.912 -6.822 -6.603 1.00 0.00 C ATOM 1127 CG LEU A 74 5.402 -6.829 -6.850 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.888 -8.255 -6.974 1.00 0.00 C ATOM 1129 CD2 LEU A 74 4.675 -6.093 -5.734 1.00 0.00 C ATOM 0 H LEU A 74 7.450 -5.296 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 74 6.560 -7.971 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.281 -5.804 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.393 -7.432 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 74 5.205 -6.311 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.812 -8.240 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.385 -8.750 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.098 -8.799 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.602 -6.108 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.880 -6.582 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.022 -5.060 -5.693 1.00 0.00 H new ATOM 1141 N ASP A 75 9.761 -7.473 -5.427 1.00 0.00 N ATOM 1142 CA ASP A 75 11.060 -8.134 -5.553 1.00 0.00 C ATOM 1143 C ASP A 75 10.997 -9.311 -6.526 1.00 0.00 C ATOM 1144 O ASP A 75 11.370 -10.434 -6.186 1.00 0.00 O ATOM 1145 CB ASP A 75 11.543 -8.614 -4.183 1.00 0.00 C ATOM 1146 CG ASP A 75 13.049 -8.778 -4.126 1.00 0.00 C ATOM 1147 OD1 ASP A 75 13.761 -7.755 -4.206 1.00 0.00 O ATOM 1148 OD2 ASP A 75 13.517 -9.929 -4.001 1.00 0.00 O ATOM 0 H ASP A 75 9.811 -6.455 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 75 11.767 -7.406 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.229 -7.902 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.067 -9.566 -3.946 1.00 0.00 H new ATOM 1153 N ASP A 76 10.518 -9.043 -7.737 1.00 0.00 N ATOM 1154 CA ASP A 76 10.401 -10.075 -8.761 1.00 0.00 C ATOM 1155 C ASP A 76 11.745 -10.341 -9.436 1.00 0.00 C ATOM 1156 O ASP A 76 12.065 -11.481 -9.773 1.00 0.00 O ATOM 1157 CB ASP A 76 9.365 -9.665 -9.809 1.00 0.00 C ATOM 1158 CG ASP A 76 9.636 -8.287 -10.381 1.00 0.00 C ATOM 1159 OD1 ASP A 76 10.399 -8.193 -11.365 1.00 0.00 O ATOM 1160 OD2 ASP A 76 9.085 -7.303 -9.845 1.00 0.00 O ATOM 0 H ASP A 76 10.204 -8.119 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 76 10.077 -10.994 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.360 -10.396 -10.617 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.372 -9.680 -9.360 1.00 0.00 H new ATOM 1165 N LEU A 77 12.522 -9.281 -9.642 1.00 0.00 N ATOM 1166 CA LEU A 77 13.827 -9.401 -10.289 1.00 0.00 C ATOM 1167 C LEU A 77 13.678 -9.924 -11.714 1.00 0.00 C ATOM 1168 O LEU A 77 14.641 -10.403 -12.312 1.00 0.00 O ATOM 1169 CB LEU A 77 14.743 -10.336 -9.497 1.00 0.00 C ATOM 1170 CG LEU A 77 15.093 -9.863 -8.088 1.00 0.00 C ATOM 1171 CD1 LEU A 77 13.836 -9.741 -7.247 1.00 0.00 C ATOM 1172 CD2 LEU A 77 16.081 -10.818 -7.440 1.00 0.00 C ATOM 0 H LEU A 77 12.272 -8.330 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 77 14.274 -8.407 -10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.265 -11.313 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.668 -10.473 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 77 15.560 -8.880 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.100 -9.403 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.159 -9.021 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.344 -10.712 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.321 -10.468 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.640 -11.813 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.992 -10.860 -8.037 1.00 0.00 H new ATOM 1184 N GLU A 78 12.461 -9.831 -12.247 1.00 0.00 N ATOM 1185 CA GLU A 78 12.163 -10.296 -13.597 1.00 0.00 C ATOM 1186 C GLU A 78 12.881 -11.607 -13.914 1.00 0.00 C ATOM 1187 O GLU A 78 13.280 -11.849 -15.053 1.00 0.00 O ATOM 1188 CB GLU A 78 12.546 -9.229 -14.624 1.00 0.00 C ATOM 1189 CG GLU A 78 14.026 -8.884 -14.619 1.00 0.00 C ATOM 1190 CD GLU A 78 14.475 -8.222 -15.907 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.981 -7.114 -16.208 1.00 0.00 O ATOM 1192 OE2 GLU A 78 15.318 -8.810 -16.615 1.00 0.00 O ATOM 0 H GLU A 78 11.659 -9.433 -11.757 1.00 0.00 H new ATOM 0 HA GLU A 78 11.090 -10.480 -13.651 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.266 -9.576 -15.618 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.970 -8.325 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.238 -8.220 -13.781 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.607 -9.793 -14.460 1.00 0.00 H new ATOM 1199 N HIS A 79 13.040 -12.449 -12.898 1.00 0.00 N ATOM 1200 CA HIS A 79 13.708 -13.734 -13.067 1.00 0.00 C ATOM 1201 C HIS A 79 12.970 -14.604 -14.081 1.00 0.00 C ATOM 1202 O HIS A 79 13.573 -15.449 -14.743 1.00 0.00 O ATOM 1203 CB HIS A 79 13.806 -14.464 -11.725 1.00 0.00 C ATOM 1204 CG HIS A 79 12.476 -14.837 -11.145 1.00 0.00 C ATOM 1205 ND1 HIS A 79 11.277 -14.208 -11.197 1.00 0.00 N flip ATOM 1206 CD2 HIS A 79 12.273 -15.983 -10.405 1.00 0.00 C flip ATOM 1207 CE1 HIS A 79 10.383 -14.979 -10.496 1.00 0.00 C flip ATOM 1208 NE2 HIS A 79 11.008 -16.043 -10.028 1.00 0.00 N flip ATOM 0 H HIS A 79 12.715 -12.264 -11.949 1.00 0.00 H new ATOM 0 HA HIS A 79 14.713 -13.544 -13.443 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.402 -15.367 -11.855 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.338 -13.831 -11.015 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.030 -16.717 -10.170 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.337 -14.752 -10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.586 -16.785 -9.470 1.00 0.00 H new ATOM 1217 N HIS A 80 11.663 -14.392 -14.197 1.00 0.00 N ATOM 1218 CA HIS A 80 10.844 -15.158 -15.130 1.00 0.00 C ATOM 1219 C HIS A 80 10.951 -14.588 -16.540 1.00 0.00 C ATOM 1220 O HIS A 80 11.586 -13.556 -16.757 1.00 0.00 O ATOM 1221 CB HIS A 80 9.383 -15.159 -14.676 1.00 0.00 C ATOM 1222 CG HIS A 80 8.629 -16.384 -15.091 1.00 0.00 C ATOM 1223 ND1 HIS A 80 7.767 -16.409 -16.167 1.00 0.00 N ATOM 1224 CD2 HIS A 80 8.611 -17.633 -14.569 1.00 0.00 C ATOM 1225 CE1 HIS A 80 7.251 -17.619 -16.288 1.00 0.00 C ATOM 1226 NE2 HIS A 80 7.747 -18.380 -15.331 1.00 0.00 N ATOM 0 H HIS A 80 11.148 -13.696 -13.657 1.00 0.00 H new ATOM 0 HA HIS A 80 11.213 -16.184 -15.143 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.348 -15.071 -13.590 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.884 -14.280 -15.083 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.172 -17.978 -13.713 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.544 -17.932 -17.042 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.525 -19.364 -15.181 1.00 0.00 H new ATOM 1235 N HIS A 81 10.326 -15.268 -17.497 1.00 0.00 N ATOM 1236 CA HIS A 81 10.351 -14.829 -18.887 1.00 0.00 C ATOM 1237 C HIS A 81 9.058 -14.108 -19.254 1.00 0.00 C ATOM 1238 O HIS A 81 8.139 -14.707 -19.811 1.00 0.00 O ATOM 1239 CB HIS A 81 10.564 -16.025 -19.817 1.00 0.00 C ATOM 1240 CG HIS A 81 11.147 -15.654 -21.145 1.00 0.00 C ATOM 1241 ND1 HIS A 81 12.343 -14.980 -21.280 1.00 0.00 N ATOM 1242 CD2 HIS A 81 10.694 -15.867 -22.403 1.00 0.00 C ATOM 1243 CE1 HIS A 81 12.599 -14.794 -22.563 1.00 0.00 C ATOM 1244 NE2 HIS A 81 11.614 -15.323 -23.265 1.00 0.00 N ATOM 0 H HIS A 81 9.797 -16.125 -17.335 1.00 0.00 H new ATOM 0 HA HIS A 81 11.180 -14.132 -19.007 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.223 -16.742 -19.328 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.609 -16.526 -19.976 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.779 -16.371 -22.677 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.466 -14.294 -22.968 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.547 -15.327 -24.283 1.00 0.00 H new ATOM 1253 N HIS A 82 8.995 -12.819 -18.937 1.00 0.00 N ATOM 1254 CA HIS A 82 7.815 -12.016 -19.234 1.00 0.00 C ATOM 1255 C HIS A 82 8.150 -10.528 -19.213 1.00 0.00 C ATOM 1256 O HIS A 82 8.830 -10.047 -18.307 1.00 0.00 O ATOM 1257 CB HIS A 82 6.703 -12.314 -18.226 1.00 0.00 C ATOM 1258 CG HIS A 82 5.327 -12.075 -18.766 1.00 0.00 C ATOM 1259 ND1 HIS A 82 4.600 -13.041 -19.429 1.00 0.00 N ATOM 1260 CD2 HIS A 82 4.544 -10.971 -18.737 1.00 0.00 C ATOM 1261 CE1 HIS A 82 3.430 -12.541 -19.786 1.00 0.00 C ATOM 1262 NE2 HIS A 82 3.371 -11.287 -19.377 1.00 0.00 N ATOM 0 H HIS A 82 9.747 -12.308 -18.475 1.00 0.00 H new ATOM 0 HA HIS A 82 7.470 -12.278 -20.234 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.783 -13.353 -17.905 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.850 -11.695 -17.341 1.00 0.00 H new ATOM 0 HD2 HIS A 82 4.795 -10.019 -18.293 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.654 -13.068 -20.321 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.582 -10.655 -19.514 1.00 0.00 H new ATOM 1271 N HIS A 83 7.667 -9.804 -20.218 1.00 0.00 N ATOM 1272 CA HIS A 83 7.916 -8.370 -20.315 1.00 0.00 C ATOM 1273 C HIS A 83 7.147 -7.611 -19.238 1.00 0.00 C ATOM 1274 O HIS A 83 6.383 -8.201 -18.474 1.00 0.00 O ATOM 1275 CB HIS A 83 7.519 -7.855 -21.700 1.00 0.00 C ATOM 1276 CG HIS A 83 6.069 -8.052 -22.018 1.00 0.00 C ATOM 1277 ND1 HIS A 83 5.620 -8.968 -22.946 1.00 0.00 N ATOM 1278 CD2 HIS A 83 4.963 -7.445 -21.526 1.00 0.00 C ATOM 1279 CE1 HIS A 83 4.301 -8.915 -23.012 1.00 0.00 C ATOM 1280 NE2 HIS A 83 3.879 -7.999 -22.160 1.00 0.00 N ATOM 0 H HIS A 83 7.102 -10.186 -20.976 1.00 0.00 H new ATOM 0 HA HIS A 83 8.982 -8.200 -20.164 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.756 -6.793 -21.766 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.120 -8.363 -22.454 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.938 -6.669 -20.775 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.675 -9.518 -23.653 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.905 -7.744 -21.999 1.00 0.00 H new ATOM 1289 N HIS A 84 7.356 -6.300 -19.183 1.00 0.00 N ATOM 1290 CA HIS A 84 6.683 -5.460 -18.199 1.00 0.00 C ATOM 1291 C HIS A 84 6.731 -3.992 -18.612 1.00 0.00 C ATOM 1292 O HIS A 84 5.779 -3.254 -18.283 1.00 0.00 O ATOM 1293 CB HIS A 84 7.326 -5.636 -16.822 1.00 0.00 C ATOM 1294 CG HIS A 84 8.791 -5.329 -16.803 1.00 0.00 C ATOM 1295 ND1 HIS A 84 9.294 -4.049 -16.910 1.00 0.00 N ATOM 1296 CD2 HIS A 84 9.866 -6.145 -16.687 1.00 0.00 C ATOM 1297 CE1 HIS A 84 10.614 -4.092 -16.862 1.00 0.00 C ATOM 1298 NE2 HIS A 84 10.985 -5.351 -16.726 1.00 0.00 N ATOM 1299 OXT HIS A 84 7.721 -3.594 -19.261 1.00 0.00 O ATOM 0 H HIS A 84 7.986 -5.796 -19.808 1.00 0.00 H new ATOM 0 HA HIS A 84 5.639 -5.770 -18.147 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.818 -4.989 -16.107 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.174 -6.662 -16.487 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.846 -7.220 -16.583 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.276 -3.241 -16.924 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.948 -5.681 -16.660 1.00 0.00 H new TER 1308 HIS A 84