USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 159:sc= -0.046 (180deg=-0.775) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.107 (180deg=0.0929) USER MOD Single : A 6 THR OG1 : rot 7:sc= -0.332 USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.161) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -50:sc= 0.862 USER MOD Single : A 30 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1.7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.36) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.23 K(o=-1.2,f=-1.9) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -83:sc= 0.572 USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.191 (180deg=-0.976) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc=-0.00811 (180deg=-0.298) USER MOD Single : A 61 GLN : amide:sc=-0.00143 K(o=-0.0014,f=-1.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc=-0.000966 K(o=-0.00097,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.229 USER MOD Single : A 73 SER OG : rot -18:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.899 4.112 -0.743 1.00 0.00 N ATOM 2 CA MET A 1 -13.163 2.818 -0.697 1.00 0.00 C ATOM 3 C MET A 1 -12.073 2.916 0.362 1.00 0.00 C ATOM 4 O MET A 1 -11.464 3.974 0.525 1.00 0.00 O ATOM 5 CB MET A 1 -12.543 2.551 -2.071 1.00 0.00 C ATOM 6 CG MET A 1 -11.897 1.164 -2.083 1.00 0.00 C ATOM 7 SD MET A 1 -11.254 0.807 -3.741 1.00 0.00 S ATOM 8 CE MET A 1 -9.844 1.943 -3.713 1.00 0.00 C ATOM 0 H1 MET A 1 -14.530 4.123 -1.570 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.462 4.222 0.124 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.219 4.896 -0.816 1.00 0.00 H new ATOM 0 HA MET A 1 -13.838 2.000 -0.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.308 2.613 -2.845 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.797 3.312 -2.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.090 1.121 -1.352 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.628 0.409 -1.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.110 1.630 -4.455 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.185 2.952 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.387 1.932 -2.723 1.00 0.00 H new ATOM 20 N ARG A 2 -11.821 1.819 1.085 1.00 0.00 N ATOM 21 CA ARG A 2 -10.788 1.818 2.131 1.00 0.00 C ATOM 22 C ARG A 2 -9.798 0.677 1.917 1.00 0.00 C ATOM 23 O ARG A 2 -10.186 -0.459 1.641 1.00 0.00 O ATOM 24 CB ARG A 2 -11.438 1.681 3.509 1.00 0.00 C ATOM 25 CG ARG A 2 -12.184 0.351 3.604 1.00 0.00 C ATOM 26 CD ARG A 2 -13.003 0.324 4.896 1.00 0.00 C ATOM 27 NE ARG A 2 -12.121 0.401 6.056 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.571 0.817 7.236 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.741 2.093 7.456 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.842 -0.047 8.174 1.00 0.00 N ATOM 0 H ARG A 2 -12.310 0.931 0.969 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.247 2.763 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.676 1.737 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.128 2.508 3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.839 0.225 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.477 -0.478 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.704 1.158 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.595 -0.590 4.941 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.142 0.131 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.529 2.770 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.086 2.413 8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.709 -1.044 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.187 0.274 9.079 1.00 0.00 H new ATOM 44 N ILE A 3 -8.519 0.999 2.035 1.00 0.00 N ATOM 45 CA ILE A 3 -7.447 0.018 1.847 1.00 0.00 C ATOM 46 C ILE A 3 -6.626 -0.124 3.122 1.00 0.00 C ATOM 47 O ILE A 3 -6.094 0.863 3.629 1.00 0.00 O ATOM 48 CB ILE A 3 -6.517 0.506 0.738 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.302 0.659 -0.568 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.382 -0.500 0.541 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.474 1.463 -1.578 1.00 0.00 C ATOM 0 H ILE A 3 -8.191 1.938 2.262 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.893 -0.943 1.590 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.099 1.473 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.540 -0.323 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.250 1.163 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.719 -0.150 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.818 -0.599 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.798 -1.469 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.036 1.570 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.259 2.450 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.538 0.941 -1.778 1.00 0.00 H new ATOM 63 N GLU A 4 -6.515 -1.349 3.633 1.00 0.00 N ATOM 64 CA GLU A 4 -5.734 -1.597 4.852 1.00 0.00 C ATOM 65 C GLU A 4 -4.631 -2.620 4.595 1.00 0.00 C ATOM 66 O GLU A 4 -4.880 -3.704 4.067 1.00 0.00 O ATOM 67 CB GLU A 4 -6.644 -2.089 5.981 1.00 0.00 C ATOM 68 CG GLU A 4 -7.704 -1.027 6.281 1.00 0.00 C ATOM 69 CD GLU A 4 -8.618 -1.504 7.404 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.662 -2.701 7.639 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.258 -0.665 8.018 1.00 0.00 O ATOM 0 H GLU A 4 -6.949 -2.179 3.230 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.273 -0.656 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.123 -3.025 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.055 -2.293 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.223 -0.091 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.291 -0.824 5.385 1.00 0.00 H new ATOM 78 N VAL A 5 -3.406 -2.249 4.963 1.00 0.00 N ATOM 79 CA VAL A 5 -2.244 -3.124 4.761 1.00 0.00 C ATOM 80 C VAL A 5 -1.570 -3.456 6.090 1.00 0.00 C ATOM 81 O VAL A 5 -1.314 -2.576 6.905 1.00 0.00 O ATOM 82 CB VAL A 5 -1.230 -2.438 3.838 1.00 0.00 C ATOM 83 CG1 VAL A 5 -0.057 -3.391 3.567 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.897 -2.037 2.499 1.00 0.00 C ATOM 0 H VAL A 5 -3.189 -1.354 5.401 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.594 -4.050 4.305 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.864 -1.536 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.664 -2.903 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.427 -3.650 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.428 -4.298 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.162 -1.552 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.280 -2.928 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.719 -1.348 2.694 1.00 0.00 H new ATOM 94 N THR A 6 -1.272 -4.740 6.293 1.00 0.00 N ATOM 95 CA THR A 6 -0.603 -5.196 7.517 1.00 0.00 C ATOM 96 C THR A 6 0.708 -5.866 7.166 1.00 0.00 C ATOM 97 O THR A 6 0.786 -6.675 6.242 1.00 0.00 O ATOM 98 CB THR A 6 -1.494 -6.172 8.275 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.974 -7.153 7.376 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.672 -5.419 8.894 1.00 0.00 C ATOM 0 H THR A 6 -1.482 -5.484 5.627 1.00 0.00 H new ATOM 0 HA THR A 6 -0.408 -4.332 8.153 1.00 0.00 H new ATOM 0 HB THR A 6 -0.922 -6.651 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.535 -7.043 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.308 -6.120 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.298 -4.661 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.251 -4.938 8.106 1.00 0.00 H new ATOM 108 N ILE A 7 1.735 -5.526 7.927 1.00 0.00 N ATOM 109 CA ILE A 7 3.066 -6.086 7.738 1.00 0.00 C ATOM 110 C ILE A 7 3.461 -6.894 8.972 1.00 0.00 C ATOM 111 O ILE A 7 3.305 -6.431 10.101 1.00 0.00 O ATOM 112 CB ILE A 7 4.051 -4.937 7.523 1.00 0.00 C ATOM 113 CG1 ILE A 7 3.894 -4.397 6.094 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.491 -5.432 7.736 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.703 -3.106 5.923 1.00 0.00 C ATOM 0 H ILE A 7 1.671 -4.855 8.693 1.00 0.00 H new ATOM 0 HA ILE A 7 3.078 -6.746 6.871 1.00 0.00 H new ATOM 0 HB ILE A 7 3.842 -4.143 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.232 -5.144 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.842 -4.206 5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.186 -4.607 7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.599 -5.811 8.752 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.710 -6.230 7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.583 -2.734 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.345 -2.356 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.757 -3.309 6.113 1.00 0.00 H new ATOM 127 N ALA A 8 3.975 -8.098 8.752 1.00 0.00 N ATOM 128 CA ALA A 8 4.386 -8.946 9.861 1.00 0.00 C ATOM 129 C ALA A 8 5.546 -8.313 10.610 1.00 0.00 C ATOM 130 O ALA A 8 6.527 -7.848 10.030 1.00 0.00 O ATOM 131 CB ALA A 8 4.811 -10.313 9.330 1.00 0.00 C ATOM 0 H ALA A 8 4.116 -8.504 7.827 1.00 0.00 H new ATOM 0 HA ALA A 8 3.545 -9.061 10.544 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.119 -10.947 10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.973 -10.778 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.645 -10.192 8.639 1.00 0.00 H new ATOM 137 N LYS A 9 5.375 -8.294 11.923 1.00 0.00 N ATOM 138 CA LYS A 9 6.346 -7.715 12.834 1.00 0.00 C ATOM 139 C LYS A 9 7.701 -8.412 12.719 1.00 0.00 C ATOM 140 O LYS A 9 8.736 -7.815 13.013 1.00 0.00 O ATOM 141 CB LYS A 9 5.811 -7.768 14.270 1.00 0.00 C ATOM 142 CG LYS A 9 6.812 -7.162 15.268 1.00 0.00 C ATOM 143 CD LYS A 9 6.218 -7.246 16.676 1.00 0.00 C ATOM 144 CE LYS A 9 7.284 -6.874 17.709 1.00 0.00 C ATOM 145 NZ LYS A 9 7.657 -5.440 17.542 1.00 0.00 N ATOM 0 H LYS A 9 4.554 -8.682 12.387 1.00 0.00 H new ATOM 0 HA LYS A 9 6.500 -6.671 12.560 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.866 -7.227 14.327 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.604 -8.802 14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.759 -7.699 15.226 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.022 -6.124 15.008 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.365 -6.573 16.762 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.850 -8.254 16.866 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.906 -7.048 18.716 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.163 -7.507 17.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.250 -5.140 18.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.186 -5.320 16.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.795 -4.858 17.512 1.00 0.00 H new ATOM 159 N THR A 10 7.697 -9.667 12.269 1.00 0.00 N ATOM 160 CA THR A 10 8.937 -10.419 12.096 1.00 0.00 C ATOM 161 C THR A 10 9.816 -9.738 11.050 1.00 0.00 C ATOM 162 O THR A 10 10.988 -10.085 10.896 1.00 0.00 O ATOM 163 CB THR A 10 8.615 -11.850 11.642 1.00 0.00 C ATOM 164 OG1 THR A 10 7.701 -11.805 10.555 1.00 0.00 O ATOM 165 CG2 THR A 10 7.995 -12.645 12.798 1.00 0.00 C ATOM 0 H THR A 10 6.852 -10.181 12.019 1.00 0.00 H new ATOM 0 HA THR A 10 9.469 -10.451 13.047 1.00 0.00 H new ATOM 0 HB THR A 10 9.537 -12.340 11.329 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.495 -12.717 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.771 -13.658 12.464 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.698 -12.684 13.630 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.075 -12.158 13.122 1.00 0.00 H new ATOM 173 N SER A 11 9.252 -8.766 10.330 1.00 0.00 N ATOM 174 CA SER A 11 9.997 -8.036 9.295 1.00 0.00 C ATOM 175 C SER A 11 9.999 -6.532 9.596 1.00 0.00 C ATOM 176 O SER A 11 9.204 -5.784 9.026 1.00 0.00 O ATOM 177 CB SER A 11 9.341 -8.270 7.935 1.00 0.00 C ATOM 178 OG SER A 11 9.544 -9.620 7.542 1.00 0.00 O ATOM 0 H SER A 11 8.284 -8.465 10.442 1.00 0.00 H new ATOM 0 HA SER A 11 11.025 -8.399 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.275 -8.052 7.990 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.766 -7.595 7.192 1.00 0.00 H new ATOM 0 HG SER A 11 9.123 -9.774 6.671 1.00 0.00 H new ATOM 184 N PRO A 12 10.863 -6.076 10.476 1.00 0.00 N ATOM 185 CA PRO A 12 10.951 -4.638 10.852 1.00 0.00 C ATOM 186 C PRO A 12 11.580 -3.746 9.774 1.00 0.00 C ATOM 187 O PRO A 12 12.635 -4.067 9.224 1.00 0.00 O ATOM 188 CB PRO A 12 11.739 -4.616 12.182 1.00 0.00 C ATOM 189 CG PRO A 12 12.054 -6.057 12.505 1.00 0.00 C ATOM 190 CD PRO A 12 11.858 -6.861 11.215 1.00 0.00 C ATOM 0 HA PRO A 12 9.955 -4.210 10.962 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.653 -4.030 12.084 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.150 -4.158 12.977 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.077 -6.156 12.869 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.398 -6.427 13.293 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.789 -6.959 10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.502 -7.871 11.420 1.00 0.00 H new ATOM 198 N LEU A 13 10.930 -2.611 9.504 1.00 0.00 N ATOM 199 CA LEU A 13 11.423 -1.645 8.521 1.00 0.00 C ATOM 200 C LEU A 13 11.957 -0.412 9.265 1.00 0.00 C ATOM 201 O LEU A 13 11.461 -0.087 10.345 1.00 0.00 O ATOM 202 CB LEU A 13 10.281 -1.253 7.577 1.00 0.00 C ATOM 203 CG LEU A 13 9.517 -2.514 7.142 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.412 -2.142 6.143 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.483 -3.507 6.478 1.00 0.00 C ATOM 0 H LEU A 13 10.057 -2.338 9.955 1.00 0.00 H new ATOM 0 HA LEU A 13 12.228 -2.082 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.604 -0.560 8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.679 -0.737 6.703 1.00 0.00 H new ATOM 0 HG LEU A 13 9.069 -2.973 8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.877 -3.042 5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.716 -1.446 6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.858 -1.673 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.935 -4.398 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.938 -3.042 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.262 -3.786 7.187 1.00 0.00 H new ATOM 217 N PRO A 14 12.967 0.261 8.755 1.00 0.00 N ATOM 218 CA PRO A 14 13.557 1.440 9.454 1.00 0.00 C ATOM 219 C PRO A 14 12.491 2.436 9.937 1.00 0.00 C ATOM 220 O PRO A 14 11.406 2.548 9.368 1.00 0.00 O ATOM 221 CB PRO A 14 14.541 2.070 8.444 1.00 0.00 C ATOM 222 CG PRO A 14 14.473 1.236 7.183 1.00 0.00 C ATOM 223 CD PRO A 14 13.655 -0.031 7.489 1.00 0.00 C ATOM 0 HA PRO A 14 14.068 1.139 10.368 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.271 3.105 8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.554 2.079 8.846 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.008 1.803 6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.476 0.970 6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.943 -0.244 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.300 -0.905 7.582 1.00 0.00 H new ATOM 231 N ALA A 15 12.841 3.123 11.025 1.00 0.00 N ATOM 232 CA ALA A 15 11.972 4.106 11.679 1.00 0.00 C ATOM 233 C ALA A 15 11.517 5.231 10.741 1.00 0.00 C ATOM 234 O ALA A 15 11.668 6.408 11.067 1.00 0.00 O ATOM 235 CB ALA A 15 12.739 4.727 12.846 1.00 0.00 C ATOM 0 H ALA A 15 13.746 3.012 11.483 1.00 0.00 H new ATOM 0 HA ALA A 15 11.077 3.579 12.009 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.108 5.462 13.346 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.018 3.947 13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.638 5.216 12.471 1.00 0.00 H new ATOM 241 N GLY A 16 10.970 4.879 9.584 1.00 0.00 N ATOM 242 CA GLY A 16 10.513 5.892 8.632 1.00 0.00 C ATOM 243 C GLY A 16 9.872 5.239 7.419 1.00 0.00 C ATOM 244 O GLY A 16 9.198 5.890 6.620 1.00 0.00 O ATOM 0 H GLY A 16 10.832 3.915 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.796 6.555 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.355 6.508 8.317 1.00 0.00 H new ATOM 248 N ALA A 17 10.138 3.952 7.274 1.00 0.00 N ATOM 249 CA ALA A 17 9.647 3.185 6.142 1.00 0.00 C ATOM 250 C ALA A 17 8.129 2.992 6.112 1.00 0.00 C ATOM 251 O ALA A 17 7.522 3.099 5.047 1.00 0.00 O ATOM 252 CB ALA A 17 10.386 1.844 6.060 1.00 0.00 C ATOM 0 H ALA A 17 10.697 3.412 7.934 1.00 0.00 H new ATOM 0 HA ALA A 17 9.863 3.779 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.013 1.274 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.454 2.024 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.218 1.279 6.977 1.00 0.00 H new ATOM 258 N ILE A 18 7.507 2.703 7.244 1.00 0.00 N ATOM 259 CA ILE A 18 6.063 2.505 7.239 1.00 0.00 C ATOM 260 C ILE A 18 5.353 3.773 6.781 1.00 0.00 C ATOM 261 O ILE A 18 4.503 3.741 5.890 1.00 0.00 O ATOM 262 CB ILE A 18 5.583 2.116 8.643 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.167 0.735 9.024 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.044 2.085 8.684 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.297 -0.413 8.487 1.00 0.00 C ATOM 0 H ILE A 18 7.960 2.602 8.152 1.00 0.00 H new ATOM 0 HA ILE A 18 5.825 1.701 6.543 1.00 0.00 H new ATOM 0 HB ILE A 18 5.930 2.856 9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.178 0.644 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.244 0.658 10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.712 1.808 9.685 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.653 3.071 8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.675 1.354 7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.737 -1.368 8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.294 -0.336 8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.242 -0.350 7.400 1.00 0.00 H new ATOM 277 N ASP A 19 5.723 4.893 7.393 1.00 0.00 N ATOM 278 CA ASP A 19 5.127 6.171 7.033 1.00 0.00 C ATOM 279 C ASP A 19 5.403 6.477 5.569 1.00 0.00 C ATOM 280 O ASP A 19 4.533 6.992 4.867 1.00 0.00 O ATOM 281 CB ASP A 19 5.635 7.298 7.935 1.00 0.00 C ATOM 282 CG ASP A 19 5.079 7.136 9.345 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.987 6.608 9.474 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.756 7.539 10.277 1.00 0.00 O ATOM 0 H ASP A 19 6.425 4.941 8.132 1.00 0.00 H new ATOM 0 HA ASP A 19 4.049 6.101 7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.725 7.288 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.335 8.263 7.527 1.00 0.00 H new ATOM 289 N ALA A 20 6.610 6.177 5.102 1.00 0.00 N ATOM 290 CA ALA A 20 6.935 6.455 3.713 1.00 0.00 C ATOM 291 C ALA A 20 6.101 5.586 2.764 1.00 0.00 C ATOM 292 O ALA A 20 5.609 6.062 1.740 1.00 0.00 O ATOM 293 CB ALA A 20 8.437 6.261 3.461 1.00 0.00 C ATOM 0 H ALA A 20 7.359 5.753 5.649 1.00 0.00 H new ATOM 0 HA ALA A 20 6.687 7.497 3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.661 6.474 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.004 6.939 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.714 5.232 3.689 1.00 0.00 H new ATOM 299 N LEU A 21 5.942 4.316 3.119 1.00 0.00 N ATOM 300 CA LEU A 21 5.171 3.375 2.327 1.00 0.00 C ATOM 301 C LEU A 21 3.716 3.820 2.190 1.00 0.00 C ATOM 302 O LEU A 21 3.160 3.841 1.092 1.00 0.00 O ATOM 303 CB LEU A 21 5.287 1.998 3.005 1.00 0.00 C ATOM 304 CG LEU A 21 4.319 0.986 2.398 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.623 0.776 0.911 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.469 -0.348 3.132 1.00 0.00 C ATOM 0 H LEU A 21 6.346 3.913 3.965 1.00 0.00 H new ATOM 0 HA LEU A 21 5.563 3.324 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.308 1.629 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.086 2.099 4.071 1.00 0.00 H new ATOM 0 HG LEU A 21 3.302 1.364 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.923 0.051 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.522 1.723 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.641 0.404 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.781 -1.078 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.492 -0.709 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.241 -0.209 4.189 1.00 0.00 H new ATOM 318 N ALA A 22 3.110 4.179 3.321 1.00 0.00 N ATOM 319 CA ALA A 22 1.723 4.628 3.334 1.00 0.00 C ATOM 320 C ALA A 22 1.568 5.865 2.460 1.00 0.00 C ATOM 321 O ALA A 22 0.584 5.988 1.730 1.00 0.00 O ATOM 322 CB ALA A 22 1.273 4.935 4.764 1.00 0.00 C ATOM 0 H ALA A 22 3.559 4.167 4.237 1.00 0.00 H new ATOM 0 HA ALA A 22 1.095 3.831 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.235 5.269 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.360 4.036 5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.903 5.720 5.183 1.00 0.00 H new ATOM 328 N GLY A 23 2.526 6.768 2.507 1.00 0.00 N ATOM 329 CA GLY A 23 2.466 7.970 1.684 1.00 0.00 C ATOM 330 C GLY A 23 2.593 7.645 0.202 1.00 0.00 C ATOM 331 O GLY A 23 1.845 8.187 -0.610 1.00 0.00 O ATOM 0 H GLY A 23 3.353 6.698 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.524 8.487 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.265 8.652 1.977 1.00 0.00 H new ATOM 335 N GLU A 24 3.528 6.777 -0.169 1.00 0.00 N ATOM 336 CA GLU A 24 3.685 6.446 -1.583 1.00 0.00 C ATOM 337 C GLU A 24 2.428 5.752 -2.117 1.00 0.00 C ATOM 338 O GLU A 24 1.977 6.040 -3.226 1.00 0.00 O ATOM 339 CB GLU A 24 4.944 5.563 -1.787 1.00 0.00 C ATOM 340 CG GLU A 24 5.925 6.244 -2.747 1.00 0.00 C ATOM 341 CD GLU A 24 5.325 6.306 -4.145 1.00 0.00 C ATOM 342 OE1 GLU A 24 4.415 5.540 -4.413 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.788 7.118 -4.930 1.00 0.00 O ATOM 0 H GLU A 24 4.171 6.302 0.465 1.00 0.00 H new ATOM 0 HA GLU A 24 3.820 7.368 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.429 5.384 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.653 4.590 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.152 7.250 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.866 5.694 -2.770 1.00 0.00 H new ATOM 350 N LEU A 25 1.880 4.830 -1.339 1.00 0.00 N ATOM 351 CA LEU A 25 0.695 4.104 -1.774 1.00 0.00 C ATOM 352 C LEU A 25 -0.506 5.025 -1.983 1.00 0.00 C ATOM 353 O LEU A 25 -1.238 4.879 -2.956 1.00 0.00 O ATOM 354 CB LEU A 25 0.330 3.014 -0.758 1.00 0.00 C ATOM 355 CG LEU A 25 1.370 1.878 -0.774 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.108 0.963 0.426 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.261 1.044 -2.067 1.00 0.00 C ATOM 0 H LEU A 25 2.230 4.569 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 25 0.940 3.649 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.273 3.447 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.657 2.612 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 25 2.368 2.314 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.836 0.152 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.199 1.537 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.103 0.548 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.007 0.249 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.265 0.606 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.434 1.687 -2.930 1.00 0.00 H new ATOM 369 N SER A 26 -0.708 5.964 -1.073 1.00 0.00 N ATOM 370 CA SER A 26 -1.841 6.880 -1.183 1.00 0.00 C ATOM 371 C SER A 26 -1.781 7.702 -2.469 1.00 0.00 C ATOM 372 O SER A 26 -2.788 7.836 -3.164 1.00 0.00 O ATOM 373 CB SER A 26 -1.863 7.813 0.027 1.00 0.00 C ATOM 374 OG SER A 26 -0.783 8.731 -0.066 1.00 0.00 O ATOM 0 H SER A 26 -0.113 6.115 -0.258 1.00 0.00 H new ATOM 0 HA SER A 26 -2.754 6.285 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.810 8.351 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.785 7.235 0.948 1.00 0.00 H new ATOM 0 HG SER A 26 0.048 8.242 -0.240 1.00 0.00 H new ATOM 380 N ARG A 27 -0.613 8.248 -2.797 1.00 0.00 N ATOM 381 CA ARG A 27 -0.500 9.041 -4.016 1.00 0.00 C ATOM 382 C ARG A 27 -0.855 8.173 -5.224 1.00 0.00 C ATOM 383 O ARG A 27 -1.539 8.624 -6.143 1.00 0.00 O ATOM 384 CB ARG A 27 0.912 9.612 -4.169 1.00 0.00 C ATOM 385 CG ARG A 27 0.979 10.432 -5.459 1.00 0.00 C ATOM 386 CD ARG A 27 2.287 11.223 -5.508 1.00 0.00 C ATOM 387 NE ARG A 27 2.402 11.914 -6.788 1.00 0.00 N ATOM 388 CZ ARG A 27 1.788 13.076 -7.001 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.972 14.071 -6.178 1.00 0.00 N ATOM 390 NH2 ARG A 27 1.000 13.223 -8.032 1.00 0.00 N ATOM 0 H ARG A 27 0.246 8.160 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.195 9.878 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.160 10.238 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.644 8.805 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.911 9.772 -6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.130 11.114 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.317 11.944 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.134 10.551 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 27 2.963 11.500 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.586 13.959 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.502 14.961 -6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.853 12.446 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.531 14.114 -8.192 1.00 0.00 H new ATOM 404 N ARG A 28 -0.402 6.926 -5.207 1.00 0.00 N ATOM 405 CA ARG A 28 -0.690 5.992 -6.295 1.00 0.00 C ATOM 406 C ARG A 28 -2.198 5.729 -6.419 1.00 0.00 C ATOM 407 O ARG A 28 -2.739 5.662 -7.522 1.00 0.00 O ATOM 408 CB ARG A 28 0.018 4.666 -6.011 1.00 0.00 C ATOM 409 CG ARG A 28 1.544 4.810 -6.154 1.00 0.00 C ATOM 410 CD ARG A 28 1.964 4.747 -7.630 1.00 0.00 C ATOM 411 NE ARG A 28 3.420 4.646 -7.733 1.00 0.00 N ATOM 412 CZ ARG A 28 4.191 5.730 -7.784 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.241 6.544 -6.766 1.00 0.00 N ATOM 414 NH2 ARG A 28 4.902 5.972 -8.850 1.00 0.00 N ATOM 0 H ARG A 28 0.166 6.536 -4.455 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.336 6.431 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.226 4.329 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.344 3.902 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.866 5.757 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.042 4.017 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.497 3.889 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.615 5.637 -8.154 1.00 0.00 H new ATOM 0 HE ARG A 28 3.854 3.724 -7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.689 6.350 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.832 7.374 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.867 5.331 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.493 6.802 -8.891 1.00 0.00 H new ATOM 428 N ILE A 29 -2.857 5.558 -5.269 1.00 0.00 N ATOM 429 CA ILE A 29 -4.297 5.276 -5.243 1.00 0.00 C ATOM 430 C ILE A 29 -5.120 6.442 -5.798 1.00 0.00 C ATOM 431 O ILE A 29 -6.029 6.241 -6.603 1.00 0.00 O ATOM 432 CB ILE A 29 -4.755 4.946 -3.806 1.00 0.00 C ATOM 433 CG1 ILE A 29 -4.175 3.586 -3.346 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.289 4.891 -3.734 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.618 2.431 -4.261 1.00 0.00 C ATOM 0 H ILE A 29 -2.420 5.609 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.469 4.412 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.388 5.733 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.086 3.642 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.495 3.382 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.597 4.657 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.702 5.857 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.658 4.120 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.188 1.496 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.705 2.357 -4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.275 2.620 -5.278 1.00 0.00 H new ATOM 447 N GLN A 30 -4.796 7.651 -5.368 1.00 0.00 N ATOM 448 CA GLN A 30 -5.518 8.833 -5.840 1.00 0.00 C ATOM 449 C GLN A 30 -5.375 8.994 -7.347 1.00 0.00 C ATOM 450 O GLN A 30 -6.348 9.336 -8.018 1.00 0.00 O ATOM 451 CB GLN A 30 -5.023 10.109 -5.135 1.00 0.00 C ATOM 452 CG GLN A 30 -5.516 10.168 -3.678 1.00 0.00 C ATOM 453 CD GLN A 30 -4.902 11.379 -2.983 1.00 0.00 C ATOM 454 OE1 GLN A 30 -3.865 11.882 -3.414 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.485 11.882 -1.931 1.00 0.00 N ATOM 0 H GLN A 30 -4.048 7.844 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.570 8.686 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.934 10.139 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.376 10.987 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.604 10.234 -3.653 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.240 9.254 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.345 11.464 -1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.082 12.694 -1.464 1.00 0.00 H new ATOM 464 N TYR A 31 -4.189 8.744 -7.903 1.00 0.00 N ATOM 465 CA TYR A 31 -4.013 8.873 -9.340 1.00 0.00 C ATOM 466 C TYR A 31 -4.851 7.820 -10.067 1.00 0.00 C ATOM 467 O TYR A 31 -5.444 8.100 -11.108 1.00 0.00 O ATOM 468 CB TYR A 31 -2.541 8.737 -9.730 1.00 0.00 C ATOM 469 CG TYR A 31 -2.416 8.774 -11.237 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.502 7.585 -11.971 1.00 0.00 C ATOM 471 CD2 TYR A 31 -2.212 9.991 -11.897 1.00 0.00 C ATOM 472 CE1 TYR A 31 -2.386 7.612 -13.365 1.00 0.00 C ATOM 473 CE2 TYR A 31 -2.096 10.019 -13.293 1.00 0.00 C ATOM 474 CZ TYR A 31 -2.182 8.829 -14.027 1.00 0.00 C ATOM 475 OH TYR A 31 -2.067 8.856 -15.401 1.00 0.00 O ATOM 0 H TYR A 31 -3.356 8.457 -7.389 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.350 9.866 -9.636 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.959 9.545 -9.286 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.136 7.802 -9.343 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.658 6.646 -11.461 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.144 10.908 -11.331 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.454 6.694 -13.930 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.940 10.958 -13.803 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.930 9.779 -15.700 1.00 0.00 H new ATOM 485 N ALA A 32 -4.886 6.609 -9.523 1.00 0.00 N ATOM 486 CA ALA A 32 -5.647 5.526 -10.141 1.00 0.00 C ATOM 487 C ALA A 32 -7.151 5.760 -10.025 1.00 0.00 C ATOM 488 O ALA A 32 -7.910 5.460 -10.945 1.00 0.00 O ATOM 489 CB ALA A 32 -5.293 4.200 -9.463 1.00 0.00 C ATOM 0 H ALA A 32 -4.401 6.352 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.385 5.494 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.861 3.392 -9.925 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.227 4.006 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.539 4.257 -8.403 1.00 0.00 H new ATOM 495 N PHE A 33 -7.566 6.290 -8.876 1.00 0.00 N ATOM 496 CA PHE A 33 -8.983 6.562 -8.612 1.00 0.00 C ATOM 497 C PHE A 33 -9.215 8.054 -8.377 1.00 0.00 C ATOM 498 O PHE A 33 -9.180 8.515 -7.236 1.00 0.00 O ATOM 499 CB PHE A 33 -9.425 5.793 -7.368 1.00 0.00 C ATOM 500 CG PHE A 33 -9.331 4.312 -7.637 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.428 3.627 -8.174 1.00 0.00 C ATOM 502 CD2 PHE A 33 -8.146 3.623 -7.355 1.00 0.00 C ATOM 503 CE1 PHE A 33 -10.339 2.253 -8.428 1.00 0.00 C ATOM 504 CE2 PHE A 33 -8.057 2.250 -7.610 1.00 0.00 C ATOM 505 CZ PHE A 33 -9.153 1.566 -8.147 1.00 0.00 C ATOM 0 H PHE A 33 -6.942 6.541 -8.109 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.561 6.245 -9.480 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.796 6.060 -6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.448 6.062 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.343 4.158 -8.392 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.300 4.151 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.185 1.724 -8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.142 1.718 -7.392 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.083 0.507 -8.345 1.00 0.00 H new ATOM 515 N PRO A 34 -9.455 8.815 -9.415 1.00 0.00 N ATOM 516 CA PRO A 34 -9.700 10.276 -9.284 1.00 0.00 C ATOM 517 C PRO A 34 -11.088 10.591 -8.720 1.00 0.00 C ATOM 518 O PRO A 34 -11.333 11.673 -8.188 1.00 0.00 O ATOM 519 CB PRO A 34 -9.574 10.823 -10.736 1.00 0.00 C ATOM 520 CG PRO A 34 -9.256 9.648 -11.625 1.00 0.00 C ATOM 521 CD PRO A 34 -9.517 8.375 -10.817 1.00 0.00 C ATOM 0 HA PRO A 34 -8.995 10.730 -8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.501 11.303 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.789 11.576 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.876 9.667 -12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.218 9.687 -11.955 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.489 7.945 -11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.769 7.610 -11.027 1.00 0.00 H new ATOM 529 N ASP A 35 -12.004 9.638 -8.913 1.00 0.00 N ATOM 530 CA ASP A 35 -13.402 9.798 -8.500 1.00 0.00 C ATOM 531 C ASP A 35 -13.737 9.190 -7.131 1.00 0.00 C ATOM 532 O ASP A 35 -14.854 9.396 -6.654 1.00 0.00 O ATOM 533 CB ASP A 35 -14.300 9.127 -9.543 1.00 0.00 C ATOM 534 CG ASP A 35 -14.214 9.870 -10.871 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.640 10.946 -10.890 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.726 9.352 -11.850 1.00 0.00 O ATOM 0 H ASP A 35 -11.801 8.742 -9.356 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.571 10.872 -8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.998 8.089 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.332 9.115 -9.191 1.00 0.00 H new ATOM 541 N ASN A 36 -12.843 8.407 -6.510 1.00 0.00 N ATOM 542 CA ASN A 36 -13.185 7.761 -5.219 1.00 0.00 C ATOM 543 C ASN A 36 -12.174 8.053 -4.120 1.00 0.00 C ATOM 544 O ASN A 36 -10.977 7.853 -4.326 1.00 0.00 O ATOM 545 CB ASN A 36 -13.200 6.245 -5.429 1.00 0.00 C ATOM 546 CG ASN A 36 -14.102 5.883 -6.603 1.00 0.00 C ATOM 547 OD1 ASN A 36 -13.635 5.327 -7.597 1.00 0.00 O ATOM 548 ND2 ASN A 36 -15.375 6.164 -6.546 1.00 0.00 N ATOM 0 H ASN A 36 -11.906 8.205 -6.860 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.151 8.157 -4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.188 5.887 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.552 5.749 -4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.986 5.923 -7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.759 6.625 -5.721 1.00 0.00 H new ATOM 555 N GLU A 37 -12.618 8.477 -2.944 1.00 0.00 N ATOM 556 CA GLU A 37 -11.697 8.722 -1.848 1.00 0.00 C ATOM 557 C GLU A 37 -11.002 7.428 -1.423 1.00 0.00 C ATOM 558 O GLU A 37 -11.658 6.462 -1.032 1.00 0.00 O ATOM 559 CB GLU A 37 -12.530 9.210 -0.653 1.00 0.00 C ATOM 560 CG GLU A 37 -11.608 9.626 0.504 1.00 0.00 C ATOM 561 CD GLU A 37 -10.810 10.868 0.121 1.00 0.00 C ATOM 562 OE1 GLU A 37 -11.229 11.560 -0.792 1.00 0.00 O ATOM 563 OE2 GLU A 37 -9.789 11.105 0.744 1.00 0.00 O ATOM 0 H GLU A 37 -13.599 8.656 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.946 9.447 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.151 10.054 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.204 8.419 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.200 9.826 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.929 8.810 0.749 1.00 0.00 H new ATOM 570 N GLY A 38 -9.677 7.431 -1.460 1.00 0.00 N ATOM 571 CA GLY A 38 -8.920 6.250 -1.025 1.00 0.00 C ATOM 572 C GLY A 38 -8.185 6.491 0.282 1.00 0.00 C ATOM 573 O GLY A 38 -7.393 7.431 0.355 1.00 0.00 O ATOM 0 H GLY A 38 -9.108 8.215 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.601 5.407 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.203 5.975 -1.798 1.00 0.00 H new ATOM 577 N HIS A 39 -8.397 5.660 1.312 1.00 0.00 N ATOM 578 CA HIS A 39 -7.678 5.845 2.583 1.00 0.00 C ATOM 579 C HIS A 39 -6.775 4.641 2.801 1.00 0.00 C ATOM 580 O HIS A 39 -7.250 3.505 2.784 1.00 0.00 O ATOM 581 CB HIS A 39 -8.675 5.956 3.739 1.00 0.00 C ATOM 582 CG HIS A 39 -7.926 6.128 5.031 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.103 7.217 5.272 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.856 5.348 6.157 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.578 7.062 6.502 1.00 0.00 C ATOM 586 NE2 HIS A 39 -7.004 5.939 7.084 1.00 0.00 N ATOM 0 H HIS A 39 -9.044 4.871 1.295 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.087 6.760 2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.343 6.802 3.578 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.298 5.063 3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.383 4.416 6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.895 7.761 6.962 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.758 5.589 8.010 1.00 0.00 H new ATOM 594 N VAL A 40 -5.475 4.871 2.967 1.00 0.00 N ATOM 595 CA VAL A 40 -4.527 3.778 3.138 1.00 0.00 C ATOM 596 C VAL A 40 -3.926 3.784 4.538 1.00 0.00 C ATOM 597 O VAL A 40 -3.431 4.810 5.005 1.00 0.00 O ATOM 598 CB VAL A 40 -3.419 3.937 2.100 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.410 2.804 2.254 1.00 0.00 C ATOM 600 CG2 VAL A 40 -4.029 3.898 0.691 1.00 0.00 C ATOM 0 H VAL A 40 -5.057 5.801 2.986 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.046 2.829 3.004 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.914 4.892 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.619 2.918 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.977 2.835 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.911 1.848 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.239 4.011 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.535 2.944 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.747 4.711 0.583 1.00 0.00 H new ATOM 610 N SER A 41 -3.955 2.625 5.191 1.00 0.00 N ATOM 611 CA SER A 41 -3.386 2.489 6.537 1.00 0.00 C ATOM 612 C SER A 41 -2.378 1.350 6.569 1.00 0.00 C ATOM 613 O SER A 41 -2.597 0.295 5.976 1.00 0.00 O ATOM 614 CB SER A 41 -4.487 2.255 7.573 1.00 0.00 C ATOM 615 OG SER A 41 -3.897 2.076 8.853 1.00 0.00 O ATOM 0 H SER A 41 -4.363 1.769 4.816 1.00 0.00 H new ATOM 0 HA SER A 41 -2.875 3.418 6.788 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.172 3.103 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.074 1.377 7.304 1.00 0.00 H new ATOM 0 HG SER A 41 -4.600 1.928 9.519 1.00 0.00 H new ATOM 621 N VAL A 42 -1.275 1.569 7.287 1.00 0.00 N ATOM 622 CA VAL A 42 -0.235 0.545 7.418 1.00 0.00 C ATOM 623 C VAL A 42 0.102 0.357 8.893 1.00 0.00 C ATOM 624 O VAL A 42 0.384 1.322 9.603 1.00 0.00 O ATOM 625 CB VAL A 42 1.020 0.940 6.630 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.059 -0.180 6.722 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.660 1.185 5.160 1.00 0.00 C ATOM 0 H VAL A 42 -1.079 2.438 7.783 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.607 -0.394 7.007 1.00 0.00 H new ATOM 0 HB VAL A 42 1.433 1.855 7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.950 0.103 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.325 -0.345 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.643 -1.097 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.557 1.465 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.239 0.275 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.073 1.989 5.094 1.00 0.00 H new ATOM 637 N ARG A 43 0.055 -0.897 9.354 1.00 0.00 N ATOM 638 CA ARG A 43 0.342 -1.199 10.758 1.00 0.00 C ATOM 639 C ARG A 43 0.979 -2.580 10.902 1.00 0.00 C ATOM 640 O ARG A 43 0.835 -3.433 10.026 1.00 0.00 O ATOM 641 CB ARG A 43 -0.958 -1.122 11.575 1.00 0.00 C ATOM 642 CG ARG A 43 -0.719 -1.621 13.004 1.00 0.00 C ATOM 643 CD ARG A 43 -1.948 -1.320 13.866 1.00 0.00 C ATOM 644 NE ARG A 43 -2.053 0.113 14.128 1.00 0.00 N ATOM 645 CZ ARG A 43 -3.108 0.620 14.760 1.00 0.00 C ATOM 646 NH1 ARG A 43 -4.181 -0.105 14.925 1.00 0.00 N ATOM 647 NH2 ARG A 43 -3.072 1.843 15.216 1.00 0.00 N ATOM 0 H ARG A 43 -0.176 -1.710 8.783 1.00 0.00 H new ATOM 0 HA ARG A 43 1.052 -0.463 11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.321 -0.094 11.597 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.732 -1.723 11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.521 -2.693 12.997 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.161 -1.137 13.427 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.848 -1.670 13.360 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.880 -1.864 14.808 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.305 0.735 13.821 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.211 -1.061 14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.990 0.284 15.410 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.234 2.411 15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.882 2.231 15.700 1.00 0.00 H new ATOM 661 N TYR A 44 1.667 -2.800 12.022 1.00 0.00 N ATOM 662 CA TYR A 44 2.301 -4.091 12.275 1.00 0.00 C ATOM 663 C TYR A 44 1.276 -5.060 12.852 1.00 0.00 C ATOM 664 O TYR A 44 0.460 -4.690 13.696 1.00 0.00 O ATOM 665 CB TYR A 44 3.459 -3.963 13.269 1.00 0.00 C ATOM 666 CG TYR A 44 4.616 -3.208 12.655 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.339 -3.773 11.597 1.00 0.00 C ATOM 668 CD2 TYR A 44 4.981 -1.953 13.161 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.423 -3.082 11.043 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.062 -1.262 12.607 1.00 0.00 C ATOM 671 CZ TYR A 44 6.784 -1.825 11.547 1.00 0.00 C ATOM 672 OH TYR A 44 7.851 -1.143 11.000 1.00 0.00 O ATOM 0 H TYR A 44 1.798 -2.109 12.760 1.00 0.00 H new ATOM 0 HA TYR A 44 2.690 -4.460 11.326 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.118 -3.447 14.166 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.790 -4.955 13.578 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.060 -4.741 11.209 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.426 -1.519 13.980 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.981 -3.517 10.227 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.341 -0.294 12.996 1.00 0.00 H new ATOM 0 HH TYR A 44 7.966 -0.288 11.465 1.00 0.00 H new ATOM 682 N ALA A 45 1.338 -6.310 12.399 1.00 0.00 N ATOM 683 CA ALA A 45 0.433 -7.355 12.869 1.00 0.00 C ATOM 684 C ALA A 45 1.213 -8.656 13.010 1.00 0.00 C ATOM 685 O ALA A 45 2.339 -8.762 12.526 1.00 0.00 O ATOM 686 CB ALA A 45 -0.719 -7.545 11.883 1.00 0.00 C ATOM 0 H ALA A 45 2.012 -6.625 11.701 1.00 0.00 H new ATOM 0 HA ALA A 45 0.016 -7.065 13.834 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.385 -8.327 12.248 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.274 -6.612 11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.321 -7.832 10.910 1.00 0.00 H new ATOM 692 N ALA A 46 0.628 -9.642 13.678 1.00 0.00 N ATOM 693 CA ALA A 46 1.316 -10.913 13.867 1.00 0.00 C ATOM 694 C ALA A 46 1.645 -11.547 12.516 1.00 0.00 C ATOM 695 O ALA A 46 2.580 -12.342 12.415 1.00 0.00 O ATOM 696 CB ALA A 46 0.473 -11.863 14.716 1.00 0.00 C ATOM 0 H ALA A 46 -0.303 -9.590 14.091 1.00 0.00 H new ATOM 0 HA ALA A 46 2.250 -10.723 14.396 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.005 -12.805 14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.290 -11.413 15.692 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.479 -12.049 14.218 1.00 0.00 H new ATOM 702 N ALA A 47 0.859 -11.234 11.484 1.00 0.00 N ATOM 703 CA ALA A 47 1.080 -11.834 10.161 1.00 0.00 C ATOM 704 C ALA A 47 0.891 -10.834 9.025 1.00 0.00 C ATOM 705 O ALA A 47 0.106 -9.891 9.138 1.00 0.00 O ATOM 706 CB ALA A 47 0.128 -13.017 9.970 1.00 0.00 C ATOM 0 H ALA A 47 0.077 -10.581 11.533 1.00 0.00 H new ATOM 0 HA ALA A 47 2.116 -12.170 10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.292 -13.462 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.315 -13.763 10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.903 -12.670 10.043 1.00 0.00 H new ATOM 712 N ASN A 48 1.580 -11.078 7.910 1.00 0.00 N ATOM 713 CA ASN A 48 1.440 -10.223 6.738 1.00 0.00 C ATOM 714 C ASN A 48 0.074 -10.503 6.125 1.00 0.00 C ATOM 715 O ASN A 48 -0.240 -11.648 5.801 1.00 0.00 O ATOM 716 CB ASN A 48 2.539 -10.537 5.719 1.00 0.00 C ATOM 717 CG ASN A 48 2.401 -9.624 4.504 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.868 -10.036 3.475 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.861 -8.404 4.562 1.00 0.00 N ATOM 0 H ASN A 48 2.233 -11.853 7.797 1.00 0.00 H new ATOM 0 HA ASN A 48 1.529 -9.174 7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.519 -10.402 6.176 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.472 -11.580 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.779 -7.789 3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.302 -8.066 5.417 1.00 0.00 H new ATOM 726 N ASN A 49 -0.735 -9.465 5.957 1.00 0.00 N ATOM 727 CA ASN A 49 -2.062 -9.620 5.368 1.00 0.00 C ATOM 728 C ASN A 49 -2.458 -8.352 4.624 1.00 0.00 C ATOM 729 O ASN A 49 -2.053 -7.251 4.999 1.00 0.00 O ATOM 730 CB ASN A 49 -3.095 -9.928 6.458 1.00 0.00 C ATOM 731 CG ASN A 49 -2.815 -11.300 7.060 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.738 -12.292 6.335 1.00 0.00 O ATOM 733 ND2 ASN A 49 -2.654 -11.417 8.349 1.00 0.00 N ATOM 0 H ASN A 49 -0.498 -8.508 6.219 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.034 -10.451 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.056 -9.165 7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.100 -9.903 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.464 -12.332 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.718 -10.594 8.948 1.00 0.00 H new ATOM 740 N LEU A 50 -3.264 -8.510 3.578 1.00 0.00 N ATOM 741 CA LEU A 50 -3.740 -7.379 2.781 1.00 0.00 C ATOM 742 C LEU A 50 -5.260 -7.474 2.729 1.00 0.00 C ATOM 743 O LEU A 50 -5.797 -8.486 2.279 1.00 0.00 O ATOM 744 CB LEU A 50 -3.152 -7.481 1.370 1.00 0.00 C ATOM 745 CG LEU A 50 -3.562 -6.268 0.516 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.845 -5.001 1.002 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.193 -6.531 -0.951 1.00 0.00 C ATOM 0 H LEU A 50 -3.604 -9.417 3.259 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.435 -6.426 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.065 -7.540 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.496 -8.399 0.894 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.638 -6.120 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.147 -4.153 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.111 -4.808 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.767 -5.140 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.482 -5.673 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.117 -6.688 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.717 -7.419 -1.304 1.00 0.00 H new ATOM 759 N SER A 51 -5.961 -6.431 3.176 1.00 0.00 N ATOM 760 CA SER A 51 -7.427 -6.433 3.153 1.00 0.00 C ATOM 761 C SER A 51 -7.946 -5.216 2.384 1.00 0.00 C ATOM 762 O SER A 51 -7.547 -4.086 2.666 1.00 0.00 O ATOM 763 CB SER A 51 -7.951 -6.380 4.589 1.00 0.00 C ATOM 764 OG SER A 51 -7.662 -7.613 5.236 1.00 0.00 O ATOM 0 H SER A 51 -5.544 -5.581 3.555 1.00 0.00 H new ATOM 0 HA SER A 51 -7.774 -7.341 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.487 -5.554 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.026 -6.197 4.591 1.00 0.00 H new ATOM 0 HG SER A 51 -7.994 -7.585 6.158 1.00 0.00 H new ATOM 770 N VAL A 52 -8.860 -5.445 1.438 1.00 0.00 N ATOM 771 CA VAL A 52 -9.457 -4.355 0.663 1.00 0.00 C ATOM 772 C VAL A 52 -10.969 -4.418 0.823 1.00 0.00 C ATOM 773 O VAL A 52 -11.575 -5.462 0.579 1.00 0.00 O ATOM 774 CB VAL A 52 -9.089 -4.476 -0.817 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.723 -3.319 -1.598 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.568 -4.417 -0.970 1.00 0.00 C ATOM 0 H VAL A 52 -9.202 -6.374 1.191 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.076 -3.402 1.030 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.459 -5.425 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.461 -3.405 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.807 -3.357 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.353 -2.371 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.305 -4.503 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.200 -3.468 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.114 -5.238 -0.415 1.00 0.00 H new ATOM 786 N ILE A 53 -11.583 -3.307 1.227 1.00 0.00 N ATOM 787 CA ILE A 53 -13.036 -3.264 1.409 1.00 0.00 C ATOM 788 C ILE A 53 -13.644 -2.123 0.600 1.00 0.00 C ATOM 789 O ILE A 53 -13.167 -0.989 0.649 1.00 0.00 O ATOM 790 CB ILE A 53 -13.385 -3.097 2.896 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.681 -4.192 3.749 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.905 -3.220 3.060 1.00 0.00 C ATOM 793 CD1 ILE A 53 -11.324 -3.684 4.253 1.00 0.00 C ATOM 0 H ILE A 53 -11.103 -2.431 1.433 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.453 -4.206 1.053 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.044 -2.120 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.312 -4.465 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.541 -5.093 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.168 -3.104 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.398 -2.444 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.230 -4.200 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.843 -4.460 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.690 -3.434 3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.473 -2.796 4.867 1.00 0.00 H new ATOM 805 N GLY A 54 -14.707 -2.436 -0.141 1.00 0.00 N ATOM 806 CA GLY A 54 -15.394 -1.437 -0.958 1.00 0.00 C ATOM 807 C GLY A 54 -14.849 -1.417 -2.384 1.00 0.00 C ATOM 808 O GLY A 54 -15.100 -0.470 -3.130 1.00 0.00 O ATOM 0 H GLY A 54 -15.110 -3.372 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.462 -1.652 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.276 -0.452 -0.507 1.00 0.00 H new ATOM 812 N ALA A 55 -14.078 -2.445 -2.754 1.00 0.00 N ATOM 813 CA ALA A 55 -13.475 -2.505 -4.094 1.00 0.00 C ATOM 814 C ALA A 55 -13.881 -3.772 -4.844 1.00 0.00 C ATOM 815 O ALA A 55 -14.307 -4.766 -4.256 1.00 0.00 O ATOM 816 CB ALA A 55 -11.946 -2.441 -3.973 1.00 0.00 C ATOM 0 H ALA A 55 -13.857 -3.240 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.841 -1.651 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.500 -2.486 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.658 -1.508 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.592 -3.284 -3.379 1.00 0.00 H new ATOM 822 N THR A 56 -13.687 -3.712 -6.160 1.00 0.00 N ATOM 823 CA THR A 56 -13.952 -4.808 -7.084 1.00 0.00 C ATOM 824 C THR A 56 -12.680 -5.618 -7.303 1.00 0.00 C ATOM 825 O THR A 56 -11.576 -5.159 -7.009 1.00 0.00 O ATOM 826 CB THR A 56 -14.395 -4.223 -8.430 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.364 -3.397 -8.951 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.668 -3.397 -8.233 1.00 0.00 C ATOM 0 H THR A 56 -13.331 -2.876 -6.624 1.00 0.00 H new ATOM 0 HA THR A 56 -14.729 -5.451 -6.670 1.00 0.00 H new ATOM 0 HB THR A 56 -14.596 -5.033 -9.131 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.428 -2.504 -8.553 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.983 -2.981 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.458 -4.035 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.471 -2.586 -7.532 1.00 0.00 H new ATOM 836 N LYS A 57 -12.857 -6.851 -7.775 1.00 0.00 N ATOM 837 CA LYS A 57 -11.738 -7.767 -7.982 1.00 0.00 C ATOM 838 C LYS A 57 -10.674 -7.210 -8.930 1.00 0.00 C ATOM 839 O LYS A 57 -9.482 -7.376 -8.672 1.00 0.00 O ATOM 840 CB LYS A 57 -12.261 -9.091 -8.546 1.00 0.00 C ATOM 841 CG LYS A 57 -13.261 -9.737 -7.573 1.00 0.00 C ATOM 842 CD LYS A 57 -12.541 -10.246 -6.315 1.00 0.00 C ATOM 843 CE LYS A 57 -13.432 -11.260 -5.591 1.00 0.00 C ATOM 844 NZ LYS A 57 -13.624 -12.461 -6.454 1.00 0.00 N ATOM 0 H LYS A 57 -13.768 -7.239 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.265 -7.912 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.742 -8.918 -9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.428 -9.771 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.024 -9.011 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.773 -10.564 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.593 -10.709 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.309 -9.412 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.976 -11.549 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.397 -10.810 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.790 -13.295 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.443 -12.313 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.772 -12.613 -7.031 1.00 0.00 H new ATOM 858 N GLU A 58 -11.072 -6.546 -10.011 1.00 0.00 N ATOM 859 CA GLU A 58 -10.089 -5.987 -10.940 1.00 0.00 C ATOM 860 C GLU A 58 -9.294 -4.865 -10.288 1.00 0.00 C ATOM 861 O GLU A 58 -8.088 -4.746 -10.500 1.00 0.00 O ATOM 862 CB GLU A 58 -10.794 -5.461 -12.192 1.00 0.00 C ATOM 863 CG GLU A 58 -9.754 -5.000 -13.217 1.00 0.00 C ATOM 864 CD GLU A 58 -10.451 -4.501 -14.478 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.652 -4.690 -14.580 1.00 0.00 O ATOM 866 OE2 GLU A 58 -9.774 -3.940 -15.323 1.00 0.00 O ATOM 0 H GLU A 58 -12.046 -6.383 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.396 -6.781 -11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.421 -6.242 -12.622 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.452 -4.632 -11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.140 -4.206 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.084 -5.824 -13.463 1.00 0.00 H new ATOM 873 N ASP A 59 -9.968 -4.053 -9.466 1.00 0.00 N ATOM 874 CA ASP A 59 -9.294 -2.966 -8.772 1.00 0.00 C ATOM 875 C ASP A 59 -8.254 -3.551 -7.828 1.00 0.00 C ATOM 876 O ASP A 59 -7.122 -3.074 -7.741 1.00 0.00 O ATOM 877 CB ASP A 59 -10.303 -2.135 -7.979 1.00 0.00 C ATOM 878 CG ASP A 59 -11.188 -1.336 -8.930 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.768 -1.115 -10.054 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.273 -0.960 -8.521 1.00 0.00 O ATOM 0 H ASP A 59 -10.966 -4.131 -9.271 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.809 -2.318 -9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.918 -2.789 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.778 -1.459 -7.304 1.00 0.00 H new ATOM 885 N LYS A 60 -8.669 -4.594 -7.121 1.00 0.00 N ATOM 886 CA LYS A 60 -7.788 -5.261 -6.172 1.00 0.00 C ATOM 887 C LYS A 60 -6.565 -5.856 -6.869 1.00 0.00 C ATOM 888 O LYS A 60 -5.454 -5.728 -6.355 1.00 0.00 O ATOM 889 CB LYS A 60 -8.547 -6.336 -5.384 1.00 0.00 C ATOM 890 CG LYS A 60 -7.607 -7.026 -4.385 1.00 0.00 C ATOM 891 CD LYS A 60 -8.384 -8.095 -3.612 1.00 0.00 C ATOM 892 CE LYS A 60 -7.413 -8.932 -2.778 1.00 0.00 C ATOM 893 NZ LYS A 60 -6.725 -8.054 -1.789 1.00 0.00 N ATOM 0 H LYS A 60 -9.605 -4.995 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.432 -4.510 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.385 -5.884 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.964 -7.073 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.768 -7.480 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.190 -6.293 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.123 -7.624 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.929 -8.735 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.951 -9.727 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.680 -9.412 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.251 -8.642 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.019 -7.467 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.424 -7.440 -1.325 1.00 0.00 H new ATOM 907 N GLN A 61 -6.728 -6.471 -8.037 1.00 0.00 N ATOM 908 CA GLN A 61 -5.563 -7.009 -8.731 1.00 0.00 C ATOM 909 C GLN A 61 -4.635 -5.852 -9.086 1.00 0.00 C ATOM 910 O GLN A 61 -3.417 -5.960 -8.937 1.00 0.00 O ATOM 911 CB GLN A 61 -5.991 -7.745 -10.006 1.00 0.00 C ATOM 912 CG GLN A 61 -6.722 -9.042 -9.648 1.00 0.00 C ATOM 913 CD GLN A 61 -7.169 -9.747 -10.927 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.363 -9.099 -11.955 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.343 -11.041 -10.927 1.00 0.00 N ATOM 0 H GLN A 61 -7.622 -6.606 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.048 -7.720 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.641 -7.105 -10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.116 -7.969 -10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.066 -9.694 -9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.586 -8.823 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.182 -11.577 -10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.640 -11.516 -11.780 1.00 0.00 H new ATOM 924 N ARG A 62 -5.208 -4.739 -9.571 1.00 0.00 N ATOM 925 CA ARG A 62 -4.399 -3.589 -9.950 1.00 0.00 C ATOM 926 C ARG A 62 -3.617 -3.086 -8.737 1.00 0.00 C ATOM 927 O ARG A 62 -2.419 -2.815 -8.829 1.00 0.00 O ATOM 928 CB ARG A 62 -5.282 -2.484 -10.544 1.00 0.00 C ATOM 929 CG ARG A 62 -4.449 -1.255 -10.953 1.00 0.00 C ATOM 930 CD ARG A 62 -3.555 -1.584 -12.156 1.00 0.00 C ATOM 931 NE ARG A 62 -3.004 -0.356 -12.719 1.00 0.00 N ATOM 932 CZ ARG A 62 -2.006 -0.386 -13.596 1.00 0.00 C ATOM 933 NH1 ARG A 62 -1.700 -1.501 -14.200 1.00 0.00 N ATOM 934 NH2 ARG A 62 -1.333 0.702 -13.855 1.00 0.00 N ATOM 0 H ARG A 62 -6.212 -4.619 -9.705 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.686 -3.888 -10.718 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.814 -2.870 -11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.036 -2.188 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.112 -0.426 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.834 -0.930 -10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.747 -2.247 -11.848 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.132 -2.114 -12.914 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.392 0.543 -12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.227 -2.351 -13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.934 -1.523 -14.873 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.573 1.574 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.567 0.680 -14.528 1.00 0.00 H new ATOM 948 N ILE A 63 -4.300 -2.959 -7.603 1.00 0.00 N ATOM 949 CA ILE A 63 -3.632 -2.483 -6.396 1.00 0.00 C ATOM 950 C ILE A 63 -2.491 -3.422 -6.021 1.00 0.00 C ATOM 951 O ILE A 63 -1.396 -2.968 -5.688 1.00 0.00 O ATOM 952 CB ILE A 63 -4.614 -2.322 -5.236 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.561 -1.152 -5.512 1.00 0.00 C ATOM 954 CG2 ILE A 63 -3.849 -2.049 -3.936 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.734 -1.207 -4.532 1.00 0.00 C ATOM 0 H ILE A 63 -5.291 -3.173 -7.494 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.217 -1.497 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.189 -3.243 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.029 -0.206 -5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.927 -1.200 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.556 -1.936 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.180 -2.883 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.266 -1.134 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.410 -0.374 -4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.270 -2.147 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.359 -1.138 -3.511 1.00 0.00 H new ATOM 967 N SER A 64 -2.722 -4.721 -6.116 1.00 0.00 N ATOM 968 CA SER A 64 -1.654 -5.663 -5.820 1.00 0.00 C ATOM 969 C SER A 64 -0.514 -5.379 -6.790 1.00 0.00 C ATOM 970 O SER A 64 0.644 -5.346 -6.378 1.00 0.00 O ATOM 971 CB SER A 64 -2.149 -7.098 -6.001 1.00 0.00 C ATOM 972 OG SER A 64 -1.131 -8.002 -5.591 1.00 0.00 O ATOM 0 H SER A 64 -3.612 -5.139 -6.387 1.00 0.00 H new ATOM 0 HA SER A 64 -1.321 -5.550 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.053 -7.260 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.411 -7.276 -7.044 1.00 0.00 H new ATOM 0 HG SER A 64 -1.446 -8.923 -5.705 1.00 0.00 H new ATOM 978 N GLU A 65 -0.816 -5.170 -8.085 1.00 0.00 N ATOM 979 CA GLU A 65 0.240 -4.895 -9.053 1.00 0.00 C ATOM 980 C GLU A 65 0.988 -3.627 -8.644 1.00 0.00 C ATOM 981 O GLU A 65 2.216 -3.580 -8.697 1.00 0.00 O ATOM 982 CB GLU A 65 -0.332 -4.753 -10.463 1.00 0.00 C ATOM 983 CG GLU A 65 -0.823 -6.117 -10.948 1.00 0.00 C ATOM 984 CD GLU A 65 0.361 -7.046 -11.192 1.00 0.00 C ATOM 985 OE1 GLU A 65 1.462 -6.544 -11.349 1.00 0.00 O ATOM 986 OE2 GLU A 65 0.150 -8.248 -11.212 1.00 0.00 O ATOM 0 H GLU A 65 -1.760 -5.187 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 65 0.936 -5.734 -9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.153 -4.036 -10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.430 -4.366 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.492 -6.555 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.398 -5.999 -11.867 1.00 0.00 H new ATOM 993 N ILE A 66 0.247 -2.607 -8.226 1.00 0.00 N ATOM 994 CA ILE A 66 0.866 -1.353 -7.799 1.00 0.00 C ATOM 995 C ILE A 66 1.806 -1.586 -6.622 1.00 0.00 C ATOM 996 O ILE A 66 2.933 -1.091 -6.605 1.00 0.00 O ATOM 997 CB ILE A 66 -0.220 -0.343 -7.410 1.00 0.00 C ATOM 998 CG1 ILE A 66 -0.966 0.113 -8.673 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.416 0.870 -6.724 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.201 0.944 -8.292 1.00 0.00 C ATOM 0 H ILE A 66 -0.772 -2.620 -8.173 1.00 0.00 H new ATOM 0 HA ILE A 66 1.449 -0.955 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.920 -0.815 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.301 0.705 -9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.270 -0.755 -9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.362 1.583 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.943 0.546 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.121 1.346 -7.406 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.720 1.260 -9.197 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.872 0.340 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.888 1.822 -7.727 1.00 0.00 H new ATOM 1012 N LEU A 67 1.335 -2.335 -5.641 1.00 0.00 N ATOM 1013 CA LEU A 67 2.146 -2.608 -4.481 1.00 0.00 C ATOM 1014 C LEU A 67 3.408 -3.318 -4.922 1.00 0.00 C ATOM 1015 O LEU A 67 4.502 -3.007 -4.452 1.00 0.00 O ATOM 1016 CB LEU A 67 1.369 -3.476 -3.472 1.00 0.00 C ATOM 1017 CG LEU A 67 2.293 -4.001 -2.348 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.756 -2.851 -1.437 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.520 -5.029 -1.513 1.00 0.00 C ATOM 0 H LEU A 67 0.407 -2.758 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 67 2.405 -1.670 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.559 -2.892 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.911 -4.318 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 67 3.173 -4.459 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.404 -3.245 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.305 -2.117 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.887 -2.375 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.161 -5.407 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.640 -4.556 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.208 -5.856 -2.151 1.00 0.00 H new ATOM 1031 N GLN A 68 3.265 -4.249 -5.846 1.00 0.00 N ATOM 1032 CA GLN A 68 4.423 -4.953 -6.347 1.00 0.00 C ATOM 1033 C GLN A 68 5.399 -3.972 -7.005 1.00 0.00 C ATOM 1034 O GLN A 68 6.586 -3.976 -6.686 1.00 0.00 O ATOM 1035 CB GLN A 68 4.000 -6.025 -7.352 1.00 0.00 C ATOM 1036 CG GLN A 68 3.278 -7.150 -6.611 1.00 0.00 C ATOM 1037 CD GLN A 68 2.646 -8.114 -7.608 1.00 0.00 C ATOM 1038 OE1 GLN A 68 2.601 -7.833 -8.806 1.00 0.00 O ATOM 1039 NE2 GLN A 68 2.147 -9.241 -7.180 1.00 0.00 N ATOM 0 H GLN A 68 2.375 -4.530 -6.257 1.00 0.00 H new ATOM 0 HA GLN A 68 4.923 -5.437 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.345 -5.593 -8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.873 -6.418 -7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.981 -7.685 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.510 -6.733 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.186 -9.471 -6.187 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.718 -9.892 -7.838 1.00 0.00 H new ATOM 1048 N GLU A 69 4.918 -3.148 -7.939 1.00 0.00 N ATOM 1049 CA GLU A 69 5.798 -2.205 -8.637 1.00 0.00 C ATOM 1050 C GLU A 69 6.474 -1.191 -7.707 1.00 0.00 C ATOM 1051 O GLU A 69 7.672 -0.944 -7.836 1.00 0.00 O ATOM 1052 CB GLU A 69 5.005 -1.459 -9.710 1.00 0.00 C ATOM 1053 CG GLU A 69 4.649 -2.421 -10.845 1.00 0.00 C ATOM 1054 CD GLU A 69 3.858 -1.682 -11.918 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.416 -0.579 -11.643 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.705 -2.229 -12.998 1.00 0.00 O ATOM 0 H GLU A 69 3.940 -3.113 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 69 6.594 -2.800 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.097 -1.037 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.591 -0.625 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.557 -2.843 -11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.063 -3.255 -10.457 1.00 0.00 H new ATOM 1063 N THR A 70 5.724 -0.595 -6.783 1.00 0.00 N ATOM 1064 CA THR A 70 6.311 0.390 -5.873 1.00 0.00 C ATOM 1065 C THR A 70 7.417 -0.261 -5.074 1.00 0.00 C ATOM 1066 O THR A 70 8.510 0.281 -4.911 1.00 0.00 O ATOM 1067 CB THR A 70 5.242 0.935 -4.940 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.220 1.553 -5.707 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.858 1.960 -3.988 1.00 0.00 C ATOM 0 H THR A 70 4.729 -0.770 -6.644 1.00 0.00 H new ATOM 0 HA THR A 70 6.725 1.217 -6.451 1.00 0.00 H new ATOM 0 HB THR A 70 4.819 0.116 -4.358 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.654 0.864 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.087 2.347 -3.322 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.642 1.484 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.285 2.781 -4.564 1.00 0.00 H new ATOM 1077 N TRP A 71 7.091 -1.437 -4.578 1.00 0.00 N ATOM 1078 CA TRP A 71 8.001 -2.222 -3.778 1.00 0.00 C ATOM 1079 C TRP A 71 9.254 -2.528 -4.585 1.00 0.00 C ATOM 1080 O TRP A 71 10.360 -2.492 -4.046 1.00 0.00 O ATOM 1081 CB TRP A 71 7.230 -3.469 -3.336 1.00 0.00 C ATOM 1082 CG TRP A 71 7.970 -4.296 -2.317 1.00 0.00 C ATOM 1083 CD1 TRP A 71 8.104 -5.641 -2.397 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.631 -3.900 -1.060 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.826 -6.092 -1.312 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.175 -5.066 -0.462 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.831 -2.669 -0.386 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.880 -5.019 0.741 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.539 -2.626 0.826 1.00 0.00 C ATOM 1090 CH2 TRP A 71 10.063 -3.796 1.386 1.00 0.00 C ATOM 0 H TRP A 71 6.181 -1.875 -4.721 1.00 0.00 H new ATOM 0 HA TRP A 71 8.348 -1.695 -2.889 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.270 -3.165 -2.919 1.00 0.00 H new ATOM 0 HB3 TRP A 71 7.018 -4.085 -4.210 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.708 -6.263 -3.186 1.00 0.00 H new ATOM 0 HE1 TRP A 71 9.072 -7.070 -1.157 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.436 -1.757 -0.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.282 -5.925 1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.680 -1.681 1.330 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.609 -3.752 2.317 1.00 0.00 H new ATOM 1101 N GLU A 72 9.100 -2.831 -5.866 1.00 0.00 N ATOM 1102 CA GLU A 72 10.244 -3.142 -6.727 1.00 0.00 C ATOM 1103 C GLU A 72 11.044 -1.890 -7.099 1.00 0.00 C ATOM 1104 O GLU A 72 12.188 -2.018 -7.534 1.00 0.00 O ATOM 1105 CB GLU A 72 9.785 -3.875 -7.990 1.00 0.00 C ATOM 1106 CG GLU A 72 9.328 -5.290 -7.625 1.00 0.00 C ATOM 1107 CD GLU A 72 8.858 -6.024 -8.876 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.728 -5.379 -9.903 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.636 -7.220 -8.789 1.00 0.00 O ATOM 0 H GLU A 72 8.196 -2.869 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 72 10.906 -3.795 -6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.969 -3.329 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.600 -3.920 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.147 -5.837 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.520 -5.243 -6.895 1.00 0.00 H new ATOM 1116 N SER A 73 10.470 -0.681 -6.952 1.00 0.00 N ATOM 1117 CA SER A 73 11.209 0.544 -7.317 1.00 0.00 C ATOM 1118 C SER A 73 11.664 1.291 -6.072 1.00 0.00 C ATOM 1119 O SER A 73 11.867 2.504 -6.104 1.00 0.00 O ATOM 1120 CB SER A 73 10.328 1.459 -8.167 1.00 0.00 C ATOM 1121 OG SER A 73 9.246 1.933 -7.375 1.00 0.00 O ATOM 0 H SER A 73 9.527 -0.526 -6.595 1.00 0.00 H new ATOM 0 HA SER A 73 12.087 0.251 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.912 2.298 -8.545 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.950 0.917 -9.034 1.00 0.00 H new ATOM 0 HG SER A 73 9.144 1.362 -6.585 1.00 0.00 H new ATOM 1127 N ALA A 74 11.764 0.569 -4.965 1.00 0.00 N ATOM 1128 CA ALA A 74 12.120 1.149 -3.679 1.00 0.00 C ATOM 1129 C ALA A 74 13.415 1.964 -3.660 1.00 0.00 C ATOM 1130 O ALA A 74 13.498 2.985 -2.987 1.00 0.00 O ATOM 1131 CB ALA A 74 12.258 0.014 -2.664 1.00 0.00 C ATOM 0 H ALA A 74 11.600 -0.437 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 74 11.321 1.851 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.525 0.426 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.311 -0.520 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.036 -0.675 -2.992 1.00 0.00 H new ATOM 1137 N ASP A 75 14.426 1.514 -4.390 1.00 0.00 N ATOM 1138 CA ASP A 75 15.707 2.221 -4.411 1.00 0.00 C ATOM 1139 C ASP A 75 15.561 3.626 -4.997 1.00 0.00 C ATOM 1140 O ASP A 75 16.397 4.494 -4.747 1.00 0.00 O ATOM 1141 CB ASP A 75 16.718 1.431 -5.244 1.00 0.00 C ATOM 1142 CG ASP A 75 17.112 0.152 -4.515 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.946 0.105 -3.308 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.569 -0.766 -5.178 1.00 0.00 O ATOM 0 H ASP A 75 14.390 0.675 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 75 16.056 2.312 -3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.289 1.187 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.603 2.040 -5.430 1.00 0.00 H new ATOM 1149 N ASP A 76 14.517 3.843 -5.787 1.00 0.00 N ATOM 1150 CA ASP A 76 14.290 5.145 -6.415 1.00 0.00 C ATOM 1151 C ASP A 76 13.391 6.061 -5.577 1.00 0.00 C ATOM 1152 O ASP A 76 13.670 7.255 -5.466 1.00 0.00 O ATOM 1153 CB ASP A 76 13.654 4.939 -7.793 1.00 0.00 C ATOM 1154 CG ASP A 76 13.359 6.287 -8.443 1.00 0.00 C ATOM 1155 OD1 ASP A 76 13.775 7.294 -7.892 1.00 0.00 O ATOM 1156 OD2 ASP A 76 12.717 6.294 -9.481 1.00 0.00 O ATOM 0 H ASP A 76 13.814 3.138 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 76 15.260 5.634 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.324 4.360 -8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.733 4.365 -7.694 1.00 0.00 H new ATOM 1161 N TRP A 77 12.286 5.540 -5.038 1.00 0.00 N ATOM 1162 CA TRP A 77 11.352 6.395 -4.284 1.00 0.00 C ATOM 1163 C TRP A 77 11.585 6.417 -2.768 1.00 0.00 C ATOM 1164 O TRP A 77 11.208 7.387 -2.112 1.00 0.00 O ATOM 1165 CB TRP A 77 9.912 5.978 -4.582 1.00 0.00 C ATOM 1166 CG TRP A 77 9.541 4.721 -3.837 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.503 3.466 -4.368 1.00 0.00 C ATOM 1168 CD2 TRP A 77 9.129 4.574 -2.432 1.00 0.00 C ATOM 1169 NE1 TRP A 77 9.076 2.582 -3.400 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.835 3.207 -2.198 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.971 5.476 -1.343 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.400 2.753 -0.954 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.533 5.009 -0.100 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.247 3.659 0.092 1.00 0.00 C ATOM 0 H TRP A 77 12.016 4.558 -5.103 1.00 0.00 H new ATOM 0 HA TRP A 77 11.542 7.412 -4.626 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.233 6.783 -4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.792 5.817 -5.653 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.765 3.206 -5.383 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.953 1.582 -3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.190 6.525 -1.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.183 1.706 -0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.415 5.702 0.720 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.905 3.314 1.057 1.00 0.00 H new ATOM 1185 N PHE A 78 12.238 5.405 -2.209 1.00 0.00 N ATOM 1186 CA PHE A 78 12.513 5.421 -0.766 1.00 0.00 C ATOM 1187 C PHE A 78 13.816 6.156 -0.500 1.00 0.00 C ATOM 1188 O PHE A 78 14.843 5.871 -1.116 1.00 0.00 O ATOM 1189 CB PHE A 78 12.569 3.999 -0.185 1.00 0.00 C ATOM 1190 CG PHE A 78 13.119 4.066 1.231 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.259 4.290 2.317 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.502 3.951 1.450 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.780 4.387 3.614 1.00 0.00 C ATOM 1194 CE2 PHE A 78 15.017 4.050 2.744 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.158 4.265 3.827 1.00 0.00 C ATOM 0 H PHE A 78 12.580 4.584 -2.709 1.00 0.00 H new ATOM 0 HA PHE A 78 11.696 5.944 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.574 3.554 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.201 3.363 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.196 4.388 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.168 3.786 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.118 4.556 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.081 3.960 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.558 4.337 4.828 1.00 0.00 H new ATOM 1205 N VAL A 79 13.758 7.127 0.408 1.00 0.00 N ATOM 1206 CA VAL A 79 14.918 7.945 0.753 1.00 0.00 C ATOM 1207 C VAL A 79 15.166 7.864 2.261 1.00 0.00 C ATOM 1208 O VAL A 79 14.209 7.878 3.035 1.00 0.00 O ATOM 1209 CB VAL A 79 14.610 9.396 0.340 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.912 10.175 0.129 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.792 9.388 -0.964 1.00 0.00 C ATOM 0 H VAL A 79 12.911 7.368 0.923 1.00 0.00 H new ATOM 0 HA VAL A 79 15.811 7.592 0.237 1.00 0.00 H new ATOM 0 HB VAL A 79 14.038 9.881 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.680 11.199 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.486 10.183 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.498 9.698 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.571 10.413 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.366 8.898 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.859 8.847 -0.805 1.00 0.00 H new