USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 599 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 4 THR OG1 : rot -170:sc= 0.934 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -155:sc= -0.0117 (180deg=-0.415) USER MOD Single : A 14 THR OG1 : rot 89:sc= 0.476 USER MOD Single : A 19 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.26) USER MOD Single : A 20 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.4!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.4!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -128:sc= -0.0289 (180deg=-3.09!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -130:sc= -0.294 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.216 1.753 11.722 1.00 0.00 N ATOM 2 CA MET A 1 -18.304 3.210 11.433 1.00 0.00 C ATOM 3 C MET A 1 -17.272 3.623 10.385 1.00 0.00 C ATOM 4 O MET A 1 -16.066 3.494 10.605 1.00 0.00 O ATOM 5 CB MET A 1 -18.079 3.979 12.740 1.00 0.00 C ATOM 6 CG MET A 1 -18.925 5.237 12.867 1.00 0.00 C ATOM 7 SD MET A 1 -18.202 6.448 13.991 1.00 0.00 S ATOM 8 CE MET A 1 -19.599 7.537 14.260 1.00 0.00 C ATOM 0 H1 MET A 1 -18.927 1.497 12.437 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.393 1.215 10.850 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.267 1.527 12.082 1.00 0.00 H new ATOM 0 HA MET A 1 -19.290 3.442 11.030 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.297 3.320 13.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.026 4.252 12.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.048 5.689 11.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.920 4.967 13.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.309 8.340 14.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.918 7.962 13.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.422 6.972 14.699 1.00 0.00 H new ATOM 20 N VAL A 2 -17.754 4.110 9.241 1.00 0.00 N ATOM 21 CA VAL A 2 -16.872 4.531 8.154 1.00 0.00 C ATOM 22 C VAL A 2 -16.640 6.041 8.176 1.00 0.00 C ATOM 23 O VAL A 2 -17.549 6.815 8.482 1.00 0.00 O ATOM 24 CB VAL A 2 -17.444 4.131 6.777 1.00 0.00 C ATOM 25 CG1 VAL A 2 -16.424 4.383 5.676 1.00 0.00 C ATOM 26 CG2 VAL A 2 -17.887 2.674 6.783 1.00 0.00 C ATOM 0 H VAL A 2 -18.748 4.222 9.044 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.921 4.021 8.309 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.318 4.751 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -16.848 4.094 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.165 5.442 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.527 3.794 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.287 2.411 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.033 2.035 7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -18.658 2.531 7.540 1.00 0.00 H new ATOM 36 N SER A 3 -15.414 6.448 7.848 1.00 0.00 N ATOM 37 CA SER A 3 -15.053 7.862 7.829 1.00 0.00 C ATOM 38 C SER A 3 -13.932 8.136 6.825 1.00 0.00 C ATOM 39 O SER A 3 -12.791 7.713 7.024 1.00 0.00 O ATOM 40 CB SER A 3 -14.626 8.314 9.229 1.00 0.00 C ATOM 41 OG SER A 3 -15.671 8.120 10.171 1.00 0.00 O ATOM 0 H SER A 3 -14.655 5.817 7.592 1.00 0.00 H new ATOM 0 HA SER A 3 -15.930 8.430 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.743 7.756 9.541 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.345 9.367 9.205 1.00 0.00 H new ATOM 0 HG SER A 3 -15.372 8.415 11.057 1.00 0.00 H new ATOM 47 N THR A 4 -14.266 8.844 5.743 1.00 0.00 N ATOM 48 CA THR A 4 -13.287 9.173 4.705 1.00 0.00 C ATOM 49 C THR A 4 -13.658 10.464 3.973 1.00 0.00 C ATOM 50 O THR A 4 -14.810 10.902 4.003 1.00 0.00 O ATOM 51 CB THR A 4 -13.165 8.023 3.700 1.00 0.00 C ATOM 52 OG1 THR A 4 -14.408 7.358 3.533 1.00 0.00 O ATOM 53 CG2 THR A 4 -12.137 6.987 4.104 1.00 0.00 C ATOM 0 H THR A 4 -15.205 9.200 5.564 1.00 0.00 H new ATOM 0 HA THR A 4 -12.326 9.325 5.197 1.00 0.00 H new ATOM 0 HB THR A 4 -12.845 8.488 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.274 6.540 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.099 6.200 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.158 7.459 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.414 6.556 5.066 1.00 0.00 H new ATOM 61 N TYR A 5 -12.666 11.066 3.314 1.00 0.00 N ATOM 62 CA TYR A 5 -12.874 12.309 2.570 1.00 0.00 C ATOM 63 C TYR A 5 -12.905 12.058 1.060 1.00 0.00 C ATOM 64 O TYR A 5 -13.675 12.693 0.337 1.00 0.00 O ATOM 65 CB TYR A 5 -11.776 13.321 2.908 1.00 0.00 C ATOM 66 CG TYR A 5 -11.863 13.865 4.318 1.00 0.00 C ATOM 67 CD1 TYR A 5 -12.747 14.889 4.635 1.00 0.00 C ATOM 68 CD2 TYR A 5 -11.066 13.349 5.332 1.00 0.00 C ATOM 69 CE1 TYR A 5 -12.829 15.389 5.921 1.00 0.00 C ATOM 70 CE2 TYR A 5 -11.141 13.843 6.620 1.00 0.00 C ATOM 71 CZ TYR A 5 -12.026 14.860 6.910 1.00 0.00 C ATOM 72 OH TYR A 5 -12.105 15.353 8.193 1.00 0.00 O ATOM 0 H TYR A 5 -11.710 10.712 3.281 1.00 0.00 H new ATOM 0 HA TYR A 5 -13.841 12.715 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -10.804 12.848 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -11.830 14.151 2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -13.381 15.301 3.864 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -10.376 12.548 5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -13.518 16.189 6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.510 13.435 7.396 1.00 0.00 H new ATOM 0 HH TYR A 5 -11.474 14.871 8.768 1.00 0.00 H new ATOM 82 N ASP A 6 -12.064 11.134 0.592 1.00 0.00 N ATOM 83 CA ASP A 6 -11.994 10.805 -0.832 1.00 0.00 C ATOM 84 C ASP A 6 -11.419 9.402 -1.050 1.00 0.00 C ATOM 85 O ASP A 6 -11.010 8.733 -0.097 1.00 0.00 O ATOM 86 CB ASP A 6 -11.143 11.842 -1.575 1.00 0.00 C ATOM 87 CG ASP A 6 -11.677 12.141 -2.963 1.00 0.00 C ATOM 88 OD1 ASP A 6 -12.771 12.735 -3.063 1.00 0.00 O ATOM 89 OD2 ASP A 6 -11.001 11.781 -3.950 1.00 0.00 O ATOM 0 H ASP A 6 -11.422 10.601 1.178 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.009 10.822 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.110 12.764 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.118 11.478 -1.653 1.00 0.00 H new ATOM 94 N GLU A 7 -11.395 8.966 -2.313 1.00 0.00 N ATOM 95 CA GLU A 7 -10.875 7.645 -2.669 1.00 0.00 C ATOM 96 C GLU A 7 -9.798 7.752 -3.750 1.00 0.00 C ATOM 97 O GLU A 7 -9.893 8.586 -4.653 1.00 0.00 O ATOM 98 CB GLU A 7 -12.013 6.742 -3.157 1.00 0.00 C ATOM 99 CG GLU A 7 -13.230 6.742 -2.245 1.00 0.00 C ATOM 100 CD GLU A 7 -14.215 5.641 -2.584 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.032 4.509 -2.089 1.00 0.00 O ATOM 102 OE2 GLU A 7 -15.170 5.910 -3.343 1.00 0.00 O ATOM 0 H GLU A 7 -11.731 9.511 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.426 7.208 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.317 7.063 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.640 5.722 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.904 6.627 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.732 7.707 -2.315 1.00 0.00 H new ATOM 109 N ILE A 8 -8.774 6.900 -3.649 1.00 0.00 N ATOM 110 CA ILE A 8 -7.672 6.894 -4.614 1.00 0.00 C ATOM 111 C ILE A 8 -7.445 5.491 -5.186 1.00 0.00 C ATOM 112 O ILE A 8 -7.726 4.492 -4.525 1.00 0.00 O ATOM 113 CB ILE A 8 -6.358 7.395 -3.968 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.598 8.701 -3.201 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.278 7.589 -5.027 1.00 0.00 C ATOM 116 CD1 ILE A 8 -5.478 9.060 -2.247 1.00 0.00 C ATOM 0 H ILE A 8 -8.686 6.205 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.953 7.570 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.015 6.639 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.729 9.513 -3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.529 8.617 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.362 7.942 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.085 6.640 -5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.614 8.324 -5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.717 9.995 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.361 8.267 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.549 9.177 -2.804 1.00 0.00 H new ATOM 128 N GLU A 9 -6.932 5.425 -6.416 1.00 0.00 N ATOM 129 CA GLU A 9 -6.664 4.144 -7.070 1.00 0.00 C ATOM 130 C GLU A 9 -5.168 3.839 -7.081 1.00 0.00 C ATOM 131 O GLU A 9 -4.344 4.739 -7.249 1.00 0.00 O ATOM 132 CB GLU A 9 -7.204 4.151 -8.503 1.00 0.00 C ATOM 133 CG GLU A 9 -7.630 2.777 -8.998 1.00 0.00 C ATOM 134 CD GLU A 9 -7.886 2.744 -10.494 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.833 3.420 -10.952 1.00 0.00 O ATOM 136 OE2 GLU A 9 -7.143 2.037 -11.208 1.00 0.00 O ATOM 0 H GLU A 9 -6.694 6.242 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.172 3.365 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.056 4.829 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.438 4.547 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.856 2.051 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.534 2.471 -8.472 1.00 0.00 H new ATOM 143 N ILE A 10 -4.827 2.560 -6.904 1.00 0.00 N ATOM 144 CA ILE A 10 -3.428 2.125 -6.896 1.00 0.00 C ATOM 145 C ILE A 10 -2.745 2.424 -8.230 1.00 0.00 C ATOM 146 O ILE A 10 -1.548 2.714 -8.268 1.00 0.00 O ATOM 147 CB ILE A 10 -3.294 0.618 -6.580 1.00 0.00 C ATOM 148 CG1 ILE A 10 -4.089 -0.225 -7.582 1.00 0.00 C ATOM 149 CG2 ILE A 10 -3.756 0.338 -5.160 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.800 -1.708 -7.484 1.00 0.00 C ATOM 0 H ILE A 10 -5.501 1.807 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.934 2.691 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.244 0.340 -6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.154 -0.059 -7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.862 0.116 -8.592 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.657 -0.727 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.143 0.906 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.799 0.634 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.397 -2.244 -8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.742 -1.886 -7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.053 -2.063 -6.485 1.00 0.00 H new ATOM 162 N GLU A 11 -3.513 2.356 -9.318 1.00 0.00 N ATOM 163 CA GLU A 11 -2.982 2.628 -10.653 1.00 0.00 C ATOM 164 C GLU A 11 -2.415 4.049 -10.735 1.00 0.00 C ATOM 165 O GLU A 11 -1.441 4.296 -11.447 1.00 0.00 O ATOM 166 CB GLU A 11 -4.076 2.443 -11.708 1.00 0.00 C ATOM 167 CG GLU A 11 -3.535 2.127 -13.094 1.00 0.00 C ATOM 168 CD GLU A 11 -4.623 2.075 -14.149 1.00 0.00 C ATOM 169 OE1 GLU A 11 -5.411 1.105 -14.145 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.687 3.004 -14.981 1.00 0.00 O ATOM 0 H GLU A 11 -4.504 2.115 -9.301 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.176 1.921 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.740 1.638 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.677 3.351 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.800 2.882 -13.373 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.015 1.170 -13.067 1.00 0.00 H new ATOM 177 N ASP A 12 -3.030 4.976 -9.997 1.00 0.00 N ATOM 178 CA ASP A 12 -2.589 6.369 -9.981 1.00 0.00 C ATOM 179 C ASP A 12 -1.681 6.649 -8.778 1.00 0.00 C ATOM 180 O ASP A 12 -1.731 7.730 -8.187 1.00 0.00 O ATOM 181 CB ASP A 12 -3.804 7.303 -9.950 1.00 0.00 C ATOM 182 CG ASP A 12 -4.359 7.579 -11.334 1.00 0.00 C ATOM 183 OD1 ASP A 12 -5.012 6.677 -11.901 1.00 0.00 O ATOM 184 OD2 ASP A 12 -4.140 8.695 -11.851 1.00 0.00 O ATOM 0 H ASP A 12 -3.836 4.785 -9.402 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.015 6.553 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.584 6.859 -9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.522 8.245 -9.480 1.00 0.00 H new ATOM 189 N MET A 13 -0.845 5.671 -8.424 1.00 0.00 N ATOM 190 CA MET A 13 0.077 5.814 -7.300 1.00 0.00 C ATOM 191 C MET A 13 1.487 5.393 -7.704 1.00 0.00 C ATOM 192 O MET A 13 1.660 4.510 -8.546 1.00 0.00 O ATOM 193 CB MET A 13 -0.402 4.977 -6.109 1.00 0.00 C ATOM 194 CG MET A 13 -1.351 5.723 -5.185 1.00 0.00 C ATOM 195 SD MET A 13 -2.462 4.621 -4.287 1.00 0.00 S ATOM 196 CE MET A 13 -1.454 4.196 -2.869 1.00 0.00 C ATOM 0 H MET A 13 -0.789 4.771 -8.901 1.00 0.00 H new ATOM 0 HA MET A 13 0.100 6.864 -7.007 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.899 4.081 -6.481 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.464 4.646 -5.536 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.771 6.308 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.941 6.429 -5.770 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.775 3.234 -2.470 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.409 4.133 -3.171 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.564 4.962 -2.101 1.00 0.00 H new ATOM 206 N THR A 14 2.494 6.031 -7.101 1.00 0.00 N ATOM 207 CA THR A 14 3.892 5.720 -7.406 1.00 0.00 C ATOM 208 C THR A 14 4.224 4.272 -7.052 1.00 0.00 C ATOM 209 O THR A 14 3.947 3.817 -5.941 1.00 0.00 O ATOM 210 CB THR A 14 4.836 6.666 -6.654 1.00 0.00 C ATOM 211 OG1 THR A 14 4.446 8.020 -6.830 1.00 0.00 O ATOM 212 CG2 THR A 14 6.278 6.542 -7.100 1.00 0.00 C ATOM 0 H THR A 14 2.368 6.763 -6.402 1.00 0.00 H new ATOM 0 HA THR A 14 4.032 5.857 -8.478 1.00 0.00 H new ATOM 0 HB THR A 14 4.765 6.372 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.803 8.269 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.896 7.237 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.626 5.523 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.352 6.777 -8.162 1.00 0.00 H new ATOM 220 N PHE A 15 4.828 3.558 -8.002 1.00 0.00 N ATOM 221 CA PHE A 15 5.209 2.162 -7.791 1.00 0.00 C ATOM 222 C PHE A 15 6.651 2.064 -7.304 1.00 0.00 C ATOM 223 O PHE A 15 7.571 2.573 -7.948 1.00 0.00 O ATOM 224 CB PHE A 15 5.033 1.339 -9.076 1.00 0.00 C ATOM 225 CG PHE A 15 5.611 1.980 -10.311 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.926 1.742 -10.686 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.837 2.818 -11.099 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.454 2.327 -11.822 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.361 3.406 -12.235 1.00 0.00 C ATOM 230 CZ PHE A 15 6.672 3.161 -12.596 1.00 0.00 C ATOM 0 H PHE A 15 5.064 3.923 -8.925 1.00 0.00 H new ATOM 0 HA PHE A 15 4.550 1.752 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.500 0.364 -8.935 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.969 1.163 -9.237 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.544 1.092 -10.084 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.812 3.014 -10.822 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.478 2.132 -12.104 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.746 4.056 -12.840 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.084 3.621 -13.482 1.00 0.00 H new ATOM 240 N GLU A 16 6.841 1.411 -6.162 1.00 0.00 N ATOM 241 CA GLU A 16 8.170 1.247 -5.584 1.00 0.00 C ATOM 242 C GLU A 16 8.604 -0.215 -5.630 1.00 0.00 C ATOM 243 O GLU A 16 8.412 -0.961 -4.667 1.00 0.00 O ATOM 244 CB GLU A 16 8.190 1.760 -4.143 1.00 0.00 C ATOM 245 CG GLU A 16 8.272 3.273 -4.036 1.00 0.00 C ATOM 246 CD GLU A 16 9.686 3.791 -4.223 1.00 0.00 C ATOM 247 OE1 GLU A 16 10.251 3.601 -5.323 1.00 0.00 O ATOM 248 OE2 GLU A 16 10.232 4.382 -3.269 1.00 0.00 O ATOM 0 H GLU A 16 6.090 0.986 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 16 8.874 1.832 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.291 1.416 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.041 1.321 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.621 3.723 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.899 3.586 -3.061 1.00 0.00 H new ATOM 255 N PRO A 17 9.197 -0.645 -6.761 1.00 0.00 N ATOM 256 CA PRO A 17 9.660 -2.027 -6.939 1.00 0.00 C ATOM 257 C PRO A 17 10.864 -2.370 -6.061 1.00 0.00 C ATOM 258 O PRO A 17 11.170 -3.545 -5.855 1.00 0.00 O ATOM 259 CB PRO A 17 10.037 -2.091 -8.420 1.00 0.00 C ATOM 260 CG PRO A 17 10.347 -0.685 -8.801 1.00 0.00 C ATOM 261 CD PRO A 17 9.459 0.184 -7.953 1.00 0.00 C ATOM 0 HA PRO A 17 8.894 -2.746 -6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.896 -2.742 -8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.218 -2.491 -9.019 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.398 -0.457 -8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.158 -0.518 -9.861 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.949 1.121 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.536 0.442 -8.473 1.00 0.00 H new ATOM 269 N GLU A 18 11.542 -1.341 -5.542 1.00 0.00 N ATOM 270 CA GLU A 18 12.708 -1.540 -4.682 1.00 0.00 C ATOM 271 C GLU A 18 12.381 -2.477 -3.516 1.00 0.00 C ATOM 272 O GLU A 18 13.214 -3.291 -3.114 1.00 0.00 O ATOM 273 CB GLU A 18 13.214 -0.196 -4.146 1.00 0.00 C ATOM 274 CG GLU A 18 12.139 0.641 -3.463 1.00 0.00 C ATOM 275 CD GLU A 18 12.692 1.920 -2.866 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.968 2.863 -3.637 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.850 1.979 -1.628 1.00 0.00 O ATOM 0 H GLU A 18 11.302 -0.363 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 18 13.491 -2.001 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.022 -0.379 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.637 0.377 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.361 0.888 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.668 0.051 -2.677 1.00 0.00 H new ATOM 284 N ASN A 19 11.163 -2.355 -2.978 1.00 0.00 N ATOM 285 CA ASN A 19 10.729 -3.194 -1.860 1.00 0.00 C ATOM 286 C ASN A 19 9.248 -3.572 -1.976 1.00 0.00 C ATOM 287 O ASN A 19 8.599 -3.862 -0.970 1.00 0.00 O ATOM 288 CB ASN A 19 10.982 -2.477 -0.531 1.00 0.00 C ATOM 289 CG ASN A 19 12.375 -2.740 0.008 1.00 0.00 C ATOM 290 OD1 ASN A 19 12.801 -3.890 0.124 1.00 0.00 O ATOM 291 ND2 ASN A 19 13.094 -1.675 0.345 1.00 0.00 N ATOM 0 H ASN A 19 10.464 -1.685 -3.298 1.00 0.00 H new ATOM 0 HA ASN A 19 11.313 -4.114 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.844 -1.404 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.244 -2.803 0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.037 -1.793 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.703 -0.740 0.233 1.00 0.00 H new ATOM 298 N GLN A 20 8.721 -3.579 -3.206 1.00 0.00 N ATOM 299 CA GLN A 20 7.321 -3.933 -3.449 1.00 0.00 C ATOM 300 C GLN A 20 6.368 -3.096 -2.587 1.00 0.00 C ATOM 301 O GLN A 20 5.770 -3.597 -1.632 1.00 0.00 O ATOM 302 CB GLN A 20 7.107 -5.426 -3.185 1.00 0.00 C ATOM 303 CG GLN A 20 5.991 -6.039 -4.018 1.00 0.00 C ATOM 304 CD GLN A 20 5.836 -7.531 -3.789 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.836 -8.317 -4.736 1.00 0.00 O ATOM 306 NE2 GLN A 20 5.702 -7.931 -2.529 1.00 0.00 N ATOM 0 H GLN A 20 9.245 -3.343 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 20 7.095 -3.716 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.036 -5.959 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.882 -5.571 -2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.051 -5.540 -3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.191 -5.857 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.707 -7.246 -1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.594 -8.923 -2.318 1.00 0.00 H new ATOM 315 N MET A 21 6.234 -1.816 -2.936 1.00 0.00 N ATOM 316 CA MET A 21 5.356 -0.905 -2.201 1.00 0.00 C ATOM 317 C MET A 21 4.878 0.240 -3.097 1.00 0.00 C ATOM 318 O MET A 21 5.305 0.359 -4.247 1.00 0.00 O ATOM 319 CB MET A 21 6.084 -0.343 -0.975 1.00 0.00 C ATOM 320 CG MET A 21 7.326 0.461 -1.320 1.00 0.00 C ATOM 321 SD MET A 21 8.457 0.630 0.072 1.00 0.00 S ATOM 322 CE MET A 21 9.140 2.253 -0.251 1.00 0.00 C ATOM 0 H MET A 21 6.722 -1.387 -3.722 1.00 0.00 H new ATOM 0 HA MET A 21 4.483 -1.468 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.397 0.289 -0.413 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.366 -1.168 -0.320 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.846 -0.020 -2.148 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.028 1.452 -1.663 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.861 2.505 0.526 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.637 2.252 -1.221 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.338 2.991 -0.255 1.00 0.00 H new ATOM 332 N PHE A 22 3.989 1.080 -2.562 1.00 0.00 N ATOM 333 CA PHE A 22 3.454 2.218 -3.312 1.00 0.00 C ATOM 334 C PHE A 22 3.388 3.470 -2.440 1.00 0.00 C ATOM 335 O PHE A 22 3.011 3.401 -1.267 1.00 0.00 O ATOM 336 CB PHE A 22 2.059 1.895 -3.855 1.00 0.00 C ATOM 337 CG PHE A 22 2.071 1.071 -5.112 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.410 -0.272 -5.073 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.740 1.640 -6.331 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.416 -1.032 -6.227 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.745 0.885 -7.488 1.00 0.00 C ATOM 342 CZ PHE A 22 2.085 -0.453 -7.436 1.00 0.00 C ATOM 0 H PHE A 22 3.625 0.994 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 22 4.128 2.411 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.496 1.363 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.530 2.828 -4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.672 -0.730 -4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.475 2.686 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.679 -2.078 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.483 1.340 -8.432 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.092 -1.045 -8.339 1.00 0.00 H new ATOM 352 N THR A 23 3.758 4.613 -3.021 1.00 0.00 N ATOM 353 CA THR A 23 3.742 5.886 -2.299 1.00 0.00 C ATOM 354 C THR A 23 3.029 6.973 -3.106 1.00 0.00 C ATOM 355 O THR A 23 2.937 6.892 -4.332 1.00 0.00 O ATOM 356 CB THR A 23 5.172 6.333 -1.978 1.00 0.00 C ATOM 357 OG1 THR A 23 5.924 6.510 -3.168 1.00 0.00 O ATOM 358 CG2 THR A 23 5.927 5.357 -1.099 1.00 0.00 C ATOM 0 H THR A 23 4.072 4.683 -3.989 1.00 0.00 H new ATOM 0 HA THR A 23 3.194 5.734 -1.369 1.00 0.00 H new ATOM 0 HB THR A 23 5.062 7.272 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.833 6.797 -2.941 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.931 5.737 -0.912 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.402 5.239 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.992 4.391 -1.600 1.00 0.00 H new ATOM 366 N TYR A 24 2.529 7.993 -2.407 1.00 0.00 N ATOM 367 CA TYR A 24 1.828 9.101 -3.055 1.00 0.00 C ATOM 368 C TYR A 24 1.871 10.356 -2.184 1.00 0.00 C ATOM 369 O TYR A 24 1.657 10.285 -0.973 1.00 0.00 O ATOM 370 CB TYR A 24 0.374 8.719 -3.346 1.00 0.00 C ATOM 371 CG TYR A 24 -0.416 9.807 -4.040 1.00 0.00 C ATOM 372 CD1 TYR A 24 -1.016 10.828 -3.313 1.00 0.00 C ATOM 373 CD2 TYR A 24 -0.558 9.818 -5.423 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.735 11.826 -3.940 1.00 0.00 C ATOM 375 CE2 TYR A 24 -1.275 10.812 -6.059 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.861 11.814 -5.313 1.00 0.00 C ATOM 377 OH TYR A 24 -2.574 12.808 -5.944 1.00 0.00 O ATOM 0 H TYR A 24 2.597 8.074 -1.393 1.00 0.00 H new ATOM 0 HA TYR A 24 2.334 9.314 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.361 7.822 -3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.120 8.466 -2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.918 10.841 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.100 9.036 -6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.196 12.611 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.377 10.805 -7.134 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.565 12.653 -6.912 1.00 0.00 H new ATOM 387 N PRO A 25 2.145 11.531 -2.789 1.00 0.00 N ATOM 388 CA PRO A 25 2.210 12.803 -2.058 1.00 0.00 C ATOM 389 C PRO A 25 0.861 13.201 -1.463 1.00 0.00 C ATOM 390 O PRO A 25 -0.008 13.724 -2.163 1.00 0.00 O ATOM 391 CB PRO A 25 2.647 13.815 -3.125 1.00 0.00 C ATOM 392 CG PRO A 25 2.257 13.194 -4.422 1.00 0.00 C ATOM 393 CD PRO A 25 2.408 11.712 -4.230 1.00 0.00 C ATOM 0 HA PRO A 25 2.890 12.746 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.154 14.777 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.721 13.997 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.231 13.451 -4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.893 13.550 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.701 11.152 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.406 11.370 -4.503 1.00 0.00 H new ATOM 401 N CYS A 26 0.694 12.950 -0.165 1.00 0.00 N ATOM 402 CA CYS A 26 -0.545 13.283 0.532 1.00 0.00 C ATOM 403 C CYS A 26 -0.824 14.782 0.450 1.00 0.00 C ATOM 404 O CYS A 26 0.094 15.595 0.575 1.00 0.00 O ATOM 405 CB CYS A 26 -0.465 12.850 2.000 1.00 0.00 C ATOM 406 SG CYS A 26 -1.998 13.126 2.948 1.00 0.00 S ATOM 0 H CYS A 26 1.404 12.516 0.425 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.361 12.748 0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.212 11.791 2.041 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.349 13.391 2.482 1.00 0.00 H new ATOM 411 N PRO A 27 -2.098 15.169 0.237 1.00 0.00 N ATOM 412 CA PRO A 27 -2.494 16.580 0.141 1.00 0.00 C ATOM 413 C PRO A 27 -1.989 17.423 1.315 1.00 0.00 C ATOM 414 O PRO A 27 -1.808 18.633 1.178 1.00 0.00 O ATOM 415 CB PRO A 27 -4.022 16.519 0.151 1.00 0.00 C ATOM 416 CG PRO A 27 -4.346 15.180 -0.409 1.00 0.00 C ATOM 417 CD PRO A 27 -3.253 14.264 0.070 1.00 0.00 C ATOM 0 HA PRO A 27 -2.072 17.055 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.417 16.633 1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.455 17.317 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.322 14.838 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.383 15.209 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.520 13.776 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.044 13.475 -0.652 1.00 0.00 H new ATOM 425 N CYS A 28 -1.767 16.781 2.467 1.00 0.00 N ATOM 426 CA CYS A 28 -1.287 17.485 3.655 1.00 0.00 C ATOM 427 C CYS A 28 0.154 17.971 3.469 1.00 0.00 C ATOM 428 O CYS A 28 0.507 19.069 3.907 1.00 0.00 O ATOM 429 CB CYS A 28 -1.398 16.585 4.893 1.00 0.00 C ATOM 430 SG CYS A 28 0.066 15.546 5.217 1.00 0.00 S ATOM 0 H CYS A 28 -1.912 15.780 2.599 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.917 18.362 3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.581 17.212 5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.267 15.938 4.777 1.00 0.00 H new ATOM 435 N GLY A 29 0.984 17.150 2.823 1.00 0.00 N ATOM 436 CA GLY A 29 2.371 17.521 2.599 1.00 0.00 C ATOM 437 C GLY A 29 3.294 16.321 2.485 1.00 0.00 C ATOM 438 O GLY A 29 4.132 16.262 1.586 1.00 0.00 O ATOM 0 H GLY A 29 0.719 16.237 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.440 18.114 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.709 18.156 3.418 1.00 0.00 H new ATOM 442 N ASP A 30 3.142 15.363 3.399 1.00 0.00 N ATOM 443 CA ASP A 30 3.973 14.158 3.400 1.00 0.00 C ATOM 444 C ASP A 30 3.580 13.214 2.258 1.00 0.00 C ATOM 445 O ASP A 30 2.748 13.555 1.418 1.00 0.00 O ATOM 446 CB ASP A 30 3.846 13.437 4.748 1.00 0.00 C ATOM 447 CG ASP A 30 5.174 12.913 5.266 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.941 12.333 4.468 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.446 13.081 6.474 1.00 0.00 O ATOM 0 H ASP A 30 2.451 15.397 4.149 1.00 0.00 H new ATOM 0 HA ASP A 30 5.010 14.458 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.420 14.122 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.148 12.606 4.645 1.00 0.00 H new ATOM 454 N ARG A 31 4.184 12.024 2.236 1.00 0.00 N ATOM 455 CA ARG A 31 3.895 11.033 1.202 1.00 0.00 C ATOM 456 C ARG A 31 3.431 9.718 1.823 1.00 0.00 C ATOM 457 O ARG A 31 4.079 9.186 2.726 1.00 0.00 O ATOM 458 CB ARG A 31 5.134 10.792 0.334 1.00 0.00 C ATOM 459 CG ARG A 31 4.803 10.418 -1.104 1.00 0.00 C ATOM 460 CD ARG A 31 6.057 10.171 -1.934 1.00 0.00 C ATOM 461 NE ARG A 31 5.741 9.914 -3.343 1.00 0.00 N ATOM 462 CZ ARG A 31 6.616 10.046 -4.345 1.00 0.00 C ATOM 463 NH1 ARG A 31 7.868 10.418 -4.100 1.00 0.00 N ATOM 464 NH2 ARG A 31 6.240 9.797 -5.596 1.00 0.00 N ATOM 0 H ARG A 31 4.876 11.725 2.923 1.00 0.00 H new ATOM 0 HA ARG A 31 3.092 11.422 0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.749 11.692 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.731 9.997 0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.181 9.523 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.218 11.216 -1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.716 11.036 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.602 9.321 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 31 4.793 9.616 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.166 10.605 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.530 10.517 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.283 9.505 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.909 9.898 -6.359 1.00 0.00 H new ATOM 478 N PHE A 32 2.306 9.199 1.330 1.00 0.00 N ATOM 479 CA PHE A 32 1.749 7.942 1.829 1.00 0.00 C ATOM 480 C PHE A 32 2.682 6.772 1.526 1.00 0.00 C ATOM 481 O PHE A 32 3.560 6.874 0.666 1.00 0.00 O ATOM 482 CB PHE A 32 0.377 7.681 1.200 1.00 0.00 C ATOM 483 CG PHE A 32 -0.779 8.211 2.004 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.225 7.539 3.132 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.423 9.379 1.628 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.293 8.020 3.867 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.491 9.866 2.359 1.00 0.00 C ATOM 488 CZ PHE A 32 -2.926 9.186 3.480 1.00 0.00 C ATOM 0 H PHE A 32 1.762 9.631 0.584 1.00 0.00 H new ATOM 0 HA PHE A 32 1.640 8.030 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.353 8.132 0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.250 6.607 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.732 6.629 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.087 9.916 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.632 7.485 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.984 10.777 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.759 9.565 4.053 1.00 0.00 H new ATOM 498 N GLN A 33 2.484 5.660 2.234 1.00 0.00 N ATOM 499 CA GLN A 33 3.305 4.468 2.038 1.00 0.00 C ATOM 500 C GLN A 33 2.528 3.198 2.384 1.00 0.00 C ATOM 501 O GLN A 33 1.954 3.087 3.469 1.00 0.00 O ATOM 502 CB GLN A 33 4.579 4.546 2.889 1.00 0.00 C ATOM 503 CG GLN A 33 4.339 5.006 4.320 1.00 0.00 C ATOM 504 CD GLN A 33 4.699 6.464 4.538 1.00 0.00 C ATOM 505 OE1 GLN A 33 5.620 6.990 3.912 1.00 0.00 O ATOM 506 NE2 GLN A 33 3.971 7.128 5.429 1.00 0.00 N ATOM 0 H GLN A 33 1.762 5.561 2.948 1.00 0.00 H new ATOM 0 HA GLN A 33 3.581 4.426 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.052 3.564 2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.282 5.229 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.290 4.854 4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.925 4.387 4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.217 6.654 5.926 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.166 8.111 5.616 1.00 0.00 H new ATOM 515 N ILE A 34 2.517 2.242 1.454 1.00 0.00 N ATOM 516 CA ILE A 34 1.816 0.977 1.659 1.00 0.00 C ATOM 517 C ILE A 34 2.485 -0.158 0.881 1.00 0.00 C ATOM 518 O ILE A 34 2.990 0.048 -0.225 1.00 0.00 O ATOM 519 CB ILE A 34 0.329 1.080 1.246 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.414 -0.217 1.590 1.00 0.00 C ATOM 521 CG2 ILE A 34 0.200 1.398 -0.239 1.00 0.00 C ATOM 522 CD1 ILE A 34 -1.842 0.005 2.039 1.00 0.00 C ATOM 0 H ILE A 34 2.986 2.321 0.552 1.00 0.00 H new ATOM 0 HA ILE A 34 1.867 0.755 2.725 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.126 1.896 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.414 -0.869 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.129 -0.739 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.855 1.466 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.690 2.348 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.672 0.608 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.306 -0.955 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.850 0.631 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.401 0.499 1.244 1.00 0.00 H new ATOM 534 N TYR A 35 2.485 -1.354 1.466 1.00 0.00 N ATOM 535 CA TYR A 35 3.092 -2.522 0.832 1.00 0.00 C ATOM 536 C TYR A 35 2.020 -3.464 0.287 1.00 0.00 C ATOM 537 O TYR A 35 0.874 -3.445 0.743 1.00 0.00 O ATOM 538 CB TYR A 35 3.980 -3.265 1.835 1.00 0.00 C ATOM 539 CG TYR A 35 5.121 -2.428 2.370 1.00 0.00 C ATOM 540 CD1 TYR A 35 4.937 -1.579 3.455 1.00 0.00 C ATOM 541 CD2 TYR A 35 6.381 -2.481 1.785 1.00 0.00 C ATOM 542 CE1 TYR A 35 5.974 -0.810 3.943 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.423 -1.715 2.269 1.00 0.00 C ATOM 544 CZ TYR A 35 7.215 -0.880 3.346 1.00 0.00 C ATOM 545 OH TYR A 35 8.250 -0.113 3.828 1.00 0.00 O ATOM 0 H TYR A 35 2.071 -1.540 2.379 1.00 0.00 H new ATOM 0 HA TYR A 35 3.704 -2.178 -0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.366 -3.603 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.387 -4.156 1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.966 -1.520 3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.547 -3.131 0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.814 -0.157 4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.397 -1.770 1.806 1.00 0.00 H new ATOM 0 HH TYR A 35 9.056 -0.281 3.297 1.00 0.00 H new ATOM 555 N LEU A 36 2.402 -4.291 -0.687 1.00 0.00 N ATOM 556 CA LEU A 36 1.475 -5.248 -1.294 1.00 0.00 C ATOM 557 C LEU A 36 0.954 -6.238 -0.254 1.00 0.00 C ATOM 558 O LEU A 36 -0.194 -6.676 -0.326 1.00 0.00 O ATOM 559 CB LEU A 36 2.156 -6.007 -2.439 1.00 0.00 C ATOM 560 CG LEU A 36 2.266 -5.240 -3.763 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.888 -5.013 -4.370 1.00 0.00 C ATOM 562 CD2 LEU A 36 2.988 -3.913 -3.560 1.00 0.00 C ATOM 0 H LEU A 36 3.346 -4.318 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 36 0.631 -4.687 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.158 -6.291 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.605 -6.930 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 36 2.850 -5.844 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.989 -4.467 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.411 -5.975 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.276 -4.434 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.055 -3.386 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.435 -3.303 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.991 -4.100 -3.177 1.00 0.00 H new ATOM 574 N ASP A 37 1.806 -6.580 0.714 1.00 0.00 N ATOM 575 CA ASP A 37 1.432 -7.511 1.776 1.00 0.00 C ATOM 576 C ASP A 37 0.378 -6.897 2.696 1.00 0.00 C ATOM 577 O ASP A 37 -0.549 -7.581 3.133 1.00 0.00 O ATOM 578 CB ASP A 37 2.663 -7.909 2.598 1.00 0.00 C ATOM 579 CG ASP A 37 2.506 -9.269 3.253 1.00 0.00 C ATOM 580 OD1 ASP A 37 2.223 -10.249 2.531 1.00 0.00 O ATOM 581 OD2 ASP A 37 2.666 -9.352 4.488 1.00 0.00 O ATOM 0 H ASP A 37 2.760 -6.225 0.783 1.00 0.00 H new ATOM 0 HA ASP A 37 1.011 -8.400 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.540 -7.919 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.842 -7.157 3.367 1.00 0.00 H new ATOM 586 N ASP A 38 0.530 -5.604 2.986 1.00 0.00 N ATOM 587 CA ASP A 38 -0.404 -4.894 3.857 1.00 0.00 C ATOM 588 C ASP A 38 -1.822 -4.932 3.290 1.00 0.00 C ATOM 589 O ASP A 38 -2.751 -5.393 3.955 1.00 0.00 O ATOM 590 CB ASP A 38 0.046 -3.441 4.048 1.00 0.00 C ATOM 591 CG ASP A 38 -0.631 -2.772 5.231 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.535 -3.309 6.355 1.00 0.00 O ATOM 593 OD2 ASP A 38 -1.254 -1.709 5.032 1.00 0.00 O ATOM 0 H ASP A 38 1.292 -5.028 2.629 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.409 -5.396 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.126 -3.415 4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.171 -2.875 3.142 1.00 0.00 H new ATOM 598 N MET A 39 -1.979 -4.454 2.056 1.00 0.00 N ATOM 599 CA MET A 39 -3.286 -4.442 1.397 1.00 0.00 C ATOM 600 C MET A 39 -3.805 -5.865 1.186 1.00 0.00 C ATOM 601 O MET A 39 -5.014 -6.101 1.206 1.00 0.00 O ATOM 602 CB MET A 39 -3.205 -3.710 0.054 1.00 0.00 C ATOM 603 CG MET A 39 -3.119 -2.197 0.186 1.00 0.00 C ATOM 604 SD MET A 39 -3.836 -1.333 -1.224 1.00 0.00 S ATOM 605 CE MET A 39 -2.596 -1.640 -2.479 1.00 0.00 C ATOM 0 H MET A 39 -1.220 -4.071 1.493 1.00 0.00 H new ATOM 0 HA MET A 39 -3.983 -3.912 2.046 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.333 -4.068 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.081 -3.965 -0.542 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.632 -1.886 1.096 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.074 -1.905 0.293 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.298 -0.696 -2.934 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.727 -2.114 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.008 -2.298 -3.244 1.00 0.00 H new ATOM 615 N PHE A 40 -2.881 -6.808 0.989 1.00 0.00 N ATOM 616 CA PHE A 40 -3.238 -8.209 0.783 1.00 0.00 C ATOM 617 C PHE A 40 -4.036 -8.749 1.970 1.00 0.00 C ATOM 618 O PHE A 40 -5.064 -9.402 1.789 1.00 0.00 O ATOM 619 CB PHE A 40 -1.974 -9.051 0.574 1.00 0.00 C ATOM 620 CG PHE A 40 -2.246 -10.494 0.241 1.00 0.00 C ATOM 621 CD1 PHE A 40 -3.203 -10.840 -0.702 1.00 0.00 C ATOM 622 CD2 PHE A 40 -1.545 -11.507 0.878 1.00 0.00 C ATOM 623 CE1 PHE A 40 -3.449 -12.165 -1.007 1.00 0.00 C ATOM 624 CE2 PHE A 40 -1.788 -12.834 0.576 1.00 0.00 C ATOM 625 CZ PHE A 40 -2.743 -13.164 -0.365 1.00 0.00 C ATOM 0 H PHE A 40 -1.878 -6.624 0.968 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.862 -8.274 -0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.384 -8.609 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.367 -9.006 1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.762 -10.064 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.800 -11.256 1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.193 -12.420 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.231 -13.612 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.938 -14.200 -0.599 1.00 0.00 H new ATOM 635 N GLU A 41 -3.559 -8.466 3.184 1.00 0.00 N ATOM 636 CA GLU A 41 -4.234 -8.919 4.400 1.00 0.00 C ATOM 637 C GLU A 41 -5.670 -8.397 4.453 1.00 0.00 C ATOM 638 O GLU A 41 -6.573 -9.086 4.930 1.00 0.00 O ATOM 639 CB GLU A 41 -3.464 -8.460 5.644 1.00 0.00 C ATOM 640 CG GLU A 41 -2.396 -9.445 6.096 1.00 0.00 C ATOM 641 CD GLU A 41 -2.346 -9.603 7.604 1.00 0.00 C ATOM 642 OE1 GLU A 41 -3.337 -10.097 8.184 1.00 0.00 O ATOM 643 OE2 GLU A 41 -1.316 -9.234 8.205 1.00 0.00 O ATOM 0 H GLU A 41 -2.710 -7.926 3.350 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.262 -10.009 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.995 -7.498 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.169 -8.302 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.586 -10.416 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.423 -9.109 5.737 1.00 0.00 H new ATOM 650 N GLY A 42 -5.872 -7.178 3.953 1.00 0.00 N ATOM 651 CA GLY A 42 -7.196 -6.584 3.944 1.00 0.00 C ATOM 652 C GLY A 42 -7.179 -5.113 4.318 1.00 0.00 C ATOM 653 O GLY A 42 -7.965 -4.674 5.158 1.00 0.00 O ATOM 0 H GLY A 42 -5.139 -6.592 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.634 -6.698 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.837 -7.125 4.640 1.00 0.00 H new ATOM 657 N GLU A 43 -6.283 -4.348 3.692 1.00 0.00 N ATOM 658 CA GLU A 43 -6.172 -2.920 3.968 1.00 0.00 C ATOM 659 C GLU A 43 -6.836 -2.099 2.868 1.00 0.00 C ATOM 660 O GLU A 43 -6.508 -2.242 1.689 1.00 0.00 O ATOM 661 CB GLU A 43 -4.705 -2.507 4.110 1.00 0.00 C ATOM 662 CG GLU A 43 -4.479 -1.430 5.162 1.00 0.00 C ATOM 663 CD GLU A 43 -4.435 -1.984 6.575 1.00 0.00 C ATOM 664 OE1 GLU A 43 -5.320 -2.794 6.927 1.00 0.00 O ATOM 665 OE2 GLU A 43 -3.517 -1.604 7.331 1.00 0.00 O ATOM 0 H GLU A 43 -5.627 -4.695 2.993 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.686 -2.724 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.111 -3.385 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.342 -2.146 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.543 -0.913 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.275 -0.689 5.092 1.00 0.00 H new ATOM 672 N LYS A 44 -7.770 -1.237 3.267 1.00 0.00 N ATOM 673 CA LYS A 44 -8.488 -0.383 2.323 1.00 0.00 C ATOM 674 C LYS A 44 -8.321 1.092 2.684 1.00 0.00 C ATOM 675 O LYS A 44 -8.083 1.928 1.812 1.00 0.00 O ATOM 676 CB LYS A 44 -9.975 -0.750 2.293 1.00 0.00 C ATOM 677 CG LYS A 44 -10.229 -2.242 2.139 1.00 0.00 C ATOM 678 CD LYS A 44 -11.488 -2.517 1.333 1.00 0.00 C ATOM 679 CE LYS A 44 -11.495 -3.931 0.773 1.00 0.00 C ATOM 680 NZ LYS A 44 -12.058 -3.982 -0.604 1.00 0.00 N ATOM 0 H LYS A 44 -8.048 -1.112 4.240 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.063 -0.546 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.445 -0.402 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.455 -0.221 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.374 -2.708 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.320 -2.699 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.364 -2.370 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.561 -1.800 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.478 -4.322 0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.079 -4.578 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.045 -4.963 -0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.038 -3.633 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.486 -3.386 -1.235 1.00 0.00 H new ATOM 694 N VAL A 45 -8.443 1.406 3.976 1.00 0.00 N ATOM 695 CA VAL A 45 -8.301 2.779 4.448 1.00 0.00 C ATOM 696 C VAL A 45 -7.046 2.935 5.308 1.00 0.00 C ATOM 697 O VAL A 45 -6.948 2.366 6.398 1.00 0.00 O ATOM 698 CB VAL A 45 -9.545 3.240 5.243 1.00 0.00 C ATOM 699 CG1 VAL A 45 -9.754 2.380 6.482 1.00 0.00 C ATOM 700 CG2 VAL A 45 -9.430 4.713 5.613 1.00 0.00 C ATOM 0 H VAL A 45 -8.640 0.726 4.711 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.206 3.413 3.566 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.419 3.117 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.635 2.727 7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.896 1.341 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.880 2.455 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.315 5.018 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.543 4.866 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.350 5.311 4.705 1.00 0.00 H new ATOM 710 N ALA A 46 -6.086 3.705 4.804 1.00 0.00 N ATOM 711 CA ALA A 46 -4.833 3.935 5.513 1.00 0.00 C ATOM 712 C ALA A 46 -4.853 5.272 6.250 1.00 0.00 C ATOM 713 O ALA A 46 -5.653 6.155 5.932 1.00 0.00 O ATOM 714 CB ALA A 46 -3.664 3.877 4.541 1.00 0.00 C ATOM 0 H ALA A 46 -6.153 4.181 3.904 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.712 3.148 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.733 4.050 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.632 2.895 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.788 4.644 3.777 1.00 0.00 H new ATOM 720 N VAL A 47 -3.968 5.412 7.237 1.00 0.00 N ATOM 721 CA VAL A 47 -3.885 6.641 8.022 1.00 0.00 C ATOM 722 C VAL A 47 -2.532 7.325 7.843 1.00 0.00 C ATOM 723 O VAL A 47 -1.483 6.720 8.074 1.00 0.00 O ATOM 724 CB VAL A 47 -4.124 6.377 9.526 1.00 0.00 C ATOM 725 CG1 VAL A 47 -5.594 6.092 9.790 1.00 0.00 C ATOM 726 CG2 VAL A 47 -3.254 5.229 10.027 1.00 0.00 C ATOM 0 H VAL A 47 -3.301 4.691 7.511 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.671 7.298 7.651 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.842 7.275 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.744 5.908 10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.192 6.950 9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.902 5.213 9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.443 5.065 11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.493 4.322 9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.203 5.478 9.880 1.00 0.00 H new ATOM 736 N CYS A 48 -2.565 8.590 7.433 1.00 0.00 N ATOM 737 CA CYS A 48 -1.343 9.363 7.224 1.00 0.00 C ATOM 738 C CYS A 48 -0.663 9.677 8.556 1.00 0.00 C ATOM 739 O CYS A 48 -1.324 10.068 9.520 1.00 0.00 O ATOM 740 CB CYS A 48 -1.659 10.667 6.484 1.00 0.00 C ATOM 741 SG CYS A 48 -0.208 11.726 6.169 1.00 0.00 S ATOM 0 H CYS A 48 -3.425 9.102 7.239 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.663 8.763 6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.130 10.425 5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.387 11.233 7.065 1.00 0.00 H new ATOM 746 N PRO A 49 0.673 9.514 8.629 1.00 0.00 N ATOM 747 CA PRO A 49 1.438 9.787 9.847 1.00 0.00 C ATOM 748 C PRO A 49 1.824 11.265 9.993 1.00 0.00 C ATOM 749 O PRO A 49 2.758 11.597 10.727 1.00 0.00 O ATOM 750 CB PRO A 49 2.680 8.921 9.656 1.00 0.00 C ATOM 751 CG PRO A 49 2.900 8.896 8.179 1.00 0.00 C ATOM 752 CD PRO A 49 1.544 9.049 7.532 1.00 0.00 C ATOM 0 HA PRO A 49 0.869 9.568 10.750 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.540 9.341 10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.527 7.917 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.567 9.703 7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.370 7.961 7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.572 9.768 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.192 8.105 7.116 1.00 0.00 H new ATOM 760 N SER A 50 1.102 12.146 9.298 1.00 0.00 N ATOM 761 CA SER A 50 1.365 13.580 9.354 1.00 0.00 C ATOM 762 C SER A 50 0.084 14.349 9.678 1.00 0.00 C ATOM 763 O SER A 50 0.026 15.082 10.666 1.00 0.00 O ATOM 764 CB SER A 50 1.950 14.071 8.026 1.00 0.00 C ATOM 765 OG SER A 50 2.927 15.076 8.239 1.00 0.00 O ATOM 0 H SER A 50 0.327 11.887 8.687 1.00 0.00 H new ATOM 0 HA SER A 50 2.092 13.762 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.396 13.233 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.152 14.463 7.396 1.00 0.00 H new ATOM 0 HG SER A 50 3.286 15.371 7.376 1.00 0.00 H new ATOM 771 N CYS A 51 -0.941 14.172 8.841 1.00 0.00 N ATOM 772 CA CYS A 51 -2.223 14.851 9.042 1.00 0.00 C ATOM 773 C CYS A 51 -3.257 13.932 9.701 1.00 0.00 C ATOM 774 O CYS A 51 -4.237 14.409 10.279 1.00 0.00 O ATOM 775 CB CYS A 51 -2.762 15.377 7.707 1.00 0.00 C ATOM 776 SG CYS A 51 -3.318 14.080 6.553 1.00 0.00 S ATOM 0 H CYS A 51 -0.909 13.567 8.021 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.047 15.690 9.715 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.596 16.050 7.906 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.984 15.967 7.223 1.00 0.00 H new ATOM 781 N SER A 52 -3.038 12.617 9.611 1.00 0.00 N ATOM 782 CA SER A 52 -3.953 11.637 10.196 1.00 0.00 C ATOM 783 C SER A 52 -5.302 11.642 9.469 1.00 0.00 C ATOM 784 O SER A 52 -6.359 11.530 10.094 1.00 0.00 O ATOM 785 CB SER A 52 -4.148 11.917 11.690 1.00 0.00 C ATOM 786 OG SER A 52 -4.517 10.740 12.387 1.00 0.00 O ATOM 0 H SER A 52 -2.233 12.208 9.137 1.00 0.00 H new ATOM 0 HA SER A 52 -3.511 10.647 10.080 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.226 12.318 12.111 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.917 12.678 11.823 1.00 0.00 H new ATOM 0 HG SER A 52 -4.634 10.946 13.338 1.00 0.00 H new ATOM 792 N LEU A 53 -5.253 11.768 8.142 1.00 0.00 N ATOM 793 CA LEU A 53 -6.461 11.784 7.322 1.00 0.00 C ATOM 794 C LEU A 53 -6.753 10.390 6.766 1.00 0.00 C ATOM 795 O LEU A 53 -5.849 9.694 6.300 1.00 0.00 O ATOM 796 CB LEU A 53 -6.307 12.796 6.182 1.00 0.00 C ATOM 797 CG LEU A 53 -7.574 13.063 5.367 1.00 0.00 C ATOM 798 CD1 LEU A 53 -7.631 14.518 4.925 1.00 0.00 C ATOM 799 CD2 LEU A 53 -7.634 12.136 4.164 1.00 0.00 C ATOM 0 H LEU A 53 -4.386 11.861 7.613 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.303 12.084 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.959 13.740 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.529 12.441 5.506 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.439 12.865 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.539 14.687 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.633 15.165 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.761 14.745 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.541 12.338 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.763 12.304 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.642 11.100 4.503 1.00 0.00 H new ATOM 811 N MET A 54 -8.023 9.985 6.826 1.00 0.00 N ATOM 812 CA MET A 54 -8.434 8.670 6.337 1.00 0.00 C ATOM 813 C MET A 54 -8.812 8.726 4.859 1.00 0.00 C ATOM 814 O MET A 54 -9.620 9.561 4.445 1.00 0.00 O ATOM 815 CB MET A 54 -9.616 8.140 7.157 1.00 0.00 C ATOM 816 CG MET A 54 -9.213 7.510 8.484 1.00 0.00 C ATOM 817 SD MET A 54 -10.607 7.314 9.613 1.00 0.00 S ATOM 818 CE MET A 54 -9.904 7.932 11.140 1.00 0.00 C ATOM 0 H MET A 54 -8.783 10.548 7.208 1.00 0.00 H new ATOM 0 HA MET A 54 -7.588 7.992 6.450 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.308 8.960 7.350 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.155 7.401 6.564 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.762 6.535 8.297 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.451 8.128 8.958 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.649 7.874 11.933 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.037 7.329 11.412 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.597 8.969 11.006 1.00 0.00 H new ATOM 828 N ILE A 55 -8.222 7.828 4.069 1.00 0.00 N ATOM 829 CA ILE A 55 -8.493 7.767 2.633 1.00 0.00 C ATOM 830 C ILE A 55 -8.707 6.329 2.165 1.00 0.00 C ATOM 831 O ILE A 55 -7.919 5.436 2.485 1.00 0.00 O ATOM 832 CB ILE A 55 -7.350 8.388 1.803 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.001 7.773 2.195 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.326 9.900 1.972 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.530 6.697 1.239 1.00 0.00 C ATOM 0 H ILE A 55 -7.553 7.133 4.400 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.404 8.344 2.474 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.530 8.167 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.250 8.562 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.080 7.350 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.513 10.320 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.274 10.319 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.173 10.146 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.570 6.305 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.262 5.890 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.419 7.121 0.241 1.00 0.00 H new ATOM 847 N ASP A 56 -9.774 6.119 1.398 1.00 0.00 N ATOM 848 CA ASP A 56 -10.097 4.796 0.872 1.00 0.00 C ATOM 849 C ASP A 56 -9.379 4.550 -0.453 1.00 0.00 C ATOM 850 O ASP A 56 -9.823 5.011 -1.506 1.00 0.00 O ATOM 851 CB ASP A 56 -11.610 4.655 0.679 1.00 0.00 C ATOM 852 CG ASP A 56 -12.368 4.578 1.995 1.00 0.00 C ATOM 853 OD1 ASP A 56 -11.847 3.962 2.951 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.484 5.134 2.071 1.00 0.00 O ATOM 0 H ASP A 56 -10.431 6.850 1.127 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.759 4.052 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.979 5.503 0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.815 3.758 0.094 1.00 0.00 H new ATOM 859 N VAL A 57 -8.265 3.821 -0.394 1.00 0.00 N ATOM 860 CA VAL A 57 -7.490 3.516 -1.593 1.00 0.00 C ATOM 861 C VAL A 57 -7.911 2.175 -2.195 1.00 0.00 C ATOM 862 O VAL A 57 -7.709 1.116 -1.596 1.00 0.00 O ATOM 863 CB VAL A 57 -5.968 3.514 -1.307 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.599 2.429 -0.305 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.179 3.351 -2.599 1.00 0.00 C ATOM 0 H VAL A 57 -7.881 3.433 0.468 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.698 4.305 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.707 4.476 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.524 2.451 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.129 2.603 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.879 1.454 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.112 3.352 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.450 2.408 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.410 4.176 -3.273 1.00 0.00 H new ATOM 875 N VAL A 58 -8.501 2.234 -3.385 1.00 0.00 N ATOM 876 CA VAL A 58 -8.956 1.034 -4.078 1.00 0.00 C ATOM 877 C VAL A 58 -7.797 0.355 -4.810 1.00 0.00 C ATOM 878 O VAL A 58 -6.991 1.018 -5.466 1.00 0.00 O ATOM 879 CB VAL A 58 -10.088 1.359 -5.079 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.604 2.317 -6.159 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.644 0.083 -5.696 1.00 0.00 C ATOM 0 H VAL A 58 -8.675 3.103 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.347 0.351 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.892 1.851 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.420 2.529 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.269 3.246 -5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.776 1.863 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.440 0.335 -6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.848 -0.443 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.043 -0.558 -4.910 1.00 0.00 H new ATOM 891 N PHE A 59 -7.719 -0.969 -4.686 1.00 0.00 N ATOM 892 CA PHE A 59 -6.658 -1.743 -5.328 1.00 0.00 C ATOM 893 C PHE A 59 -7.230 -2.949 -6.079 1.00 0.00 C ATOM 894 O PHE A 59 -8.441 -3.181 -6.068 1.00 0.00 O ATOM 895 CB PHE A 59 -5.639 -2.209 -4.283 1.00 0.00 C ATOM 896 CG PHE A 59 -6.225 -3.088 -3.212 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.771 -2.534 -2.066 1.00 0.00 C ATOM 898 CD2 PHE A 59 -6.228 -4.467 -3.352 1.00 0.00 C ATOM 899 CE1 PHE A 59 -7.309 -3.338 -1.079 1.00 0.00 C ATOM 900 CE2 PHE A 59 -6.764 -5.276 -2.368 1.00 0.00 C ATOM 901 CZ PHE A 59 -7.306 -4.710 -1.230 1.00 0.00 C ATOM 0 H PHE A 59 -8.379 -1.529 -4.146 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.160 -1.098 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.838 -2.751 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.187 -1.335 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.776 -1.461 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.807 -4.914 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.731 -2.893 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.759 -6.349 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.727 -5.340 -0.460 1.00 0.00 H new ATOM 911 N ASP A 60 -6.348 -3.711 -6.729 1.00 0.00 N ATOM 912 CA ASP A 60 -6.755 -4.892 -7.486 1.00 0.00 C ATOM 913 C ASP A 60 -5.968 -6.124 -7.039 1.00 0.00 C ATOM 914 O ASP A 60 -4.891 -6.004 -6.449 1.00 0.00 O ATOM 915 CB ASP A 60 -6.537 -4.660 -8.985 1.00 0.00 C ATOM 916 CG ASP A 60 -7.615 -5.299 -9.841 1.00 0.00 C ATOM 917 OD1 ASP A 60 -7.868 -6.512 -9.673 1.00 0.00 O ATOM 918 OD2 ASP A 60 -8.202 -4.588 -10.682 1.00 0.00 O ATOM 0 H ASP A 60 -5.345 -3.529 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.814 -5.066 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.510 -3.588 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.565 -5.061 -9.273 1.00 0.00 H new ATOM 923 N LYS A 61 -6.509 -7.304 -7.334 1.00 0.00 N ATOM 924 CA LYS A 61 -5.856 -8.560 -6.975 1.00 0.00 C ATOM 925 C LYS A 61 -4.752 -8.897 -7.975 1.00 0.00 C ATOM 926 O LYS A 61 -3.708 -9.436 -7.601 1.00 0.00 O ATOM 927 CB LYS A 61 -6.878 -9.699 -6.922 1.00 0.00 C ATOM 928 CG LYS A 61 -6.609 -10.704 -5.812 1.00 0.00 C ATOM 929 CD LYS A 61 -7.900 -11.228 -5.199 1.00 0.00 C ATOM 930 CE LYS A 61 -7.774 -11.385 -3.692 1.00 0.00 C ATOM 931 NZ LYS A 61 -8.911 -12.155 -3.118 1.00 0.00 N ATOM 0 H LYS A 61 -7.398 -7.416 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.409 -8.441 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.874 -9.277 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.880 -10.219 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.030 -11.538 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.002 -10.236 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.717 -10.544 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.153 -12.189 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.837 -11.890 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.731 -10.400 -3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.788 -12.240 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.803 -11.660 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.938 -13.104 -3.543 1.00 0.00 H new ATOM 945 N GLU A 62 -4.992 -8.575 -9.247 1.00 0.00 N ATOM 946 CA GLU A 62 -4.022 -8.840 -10.307 1.00 0.00 C ATOM 947 C GLU A 62 -2.712 -8.096 -10.052 1.00 0.00 C ATOM 948 O GLU A 62 -1.633 -8.618 -10.332 1.00 0.00 O ATOM 949 CB GLU A 62 -4.595 -8.432 -11.668 1.00 0.00 C ATOM 950 CG GLU A 62 -5.463 -9.502 -12.310 1.00 0.00 C ATOM 951 CD GLU A 62 -6.825 -9.617 -11.653 1.00 0.00 C ATOM 952 OE1 GLU A 62 -6.939 -10.348 -10.646 1.00 0.00 O ATOM 953 OE2 GLU A 62 -7.777 -8.975 -12.144 1.00 0.00 O ATOM 0 H GLU A 62 -5.852 -8.130 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.815 -9.910 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.184 -7.523 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.772 -8.191 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.592 -9.274 -13.368 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.952 -10.463 -12.251 1.00 0.00 H new ATOM 960 N ASP A 63 -2.814 -6.879 -9.513 1.00 0.00 N ATOM 961 CA ASP A 63 -1.634 -6.069 -9.216 1.00 0.00 C ATOM 962 C ASP A 63 -0.658 -6.826 -8.319 1.00 0.00 C ATOM 963 O ASP A 63 0.546 -6.836 -8.576 1.00 0.00 O ATOM 964 CB ASP A 63 -2.039 -4.753 -8.548 1.00 0.00 C ATOM 965 CG ASP A 63 -2.469 -3.701 -9.551 1.00 0.00 C ATOM 966 OD1 ASP A 63 -3.611 -3.789 -10.049 1.00 0.00 O ATOM 967 OD2 ASP A 63 -1.666 -2.789 -9.835 1.00 0.00 O ATOM 0 H ASP A 63 -3.701 -6.435 -9.274 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.136 -5.850 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.855 -4.940 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.201 -4.373 -7.964 1.00 0.00 H new ATOM 972 N LEU A 64 -1.180 -7.460 -7.270 1.00 0.00 N ATOM 973 CA LEU A 64 -0.343 -8.220 -6.345 1.00 0.00 C ATOM 974 C LEU A 64 0.360 -9.368 -7.064 1.00 0.00 C ATOM 975 O LEU A 64 1.586 -9.466 -7.034 1.00 0.00 O ATOM 976 CB LEU A 64 -1.177 -8.764 -5.183 1.00 0.00 C ATOM 977 CG LEU A 64 -1.185 -7.889 -3.928 1.00 0.00 C ATOM 978 CD1 LEU A 64 -2.196 -6.760 -4.075 1.00 0.00 C ATOM 979 CD2 LEU A 64 -1.489 -8.730 -2.696 1.00 0.00 C ATOM 0 H LEU A 64 -2.174 -7.462 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 64 0.414 -7.544 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.204 -8.895 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.801 -9.752 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.196 -7.448 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.190 -6.146 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.932 -6.145 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.191 -7.180 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.491 -8.093 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.467 -9.199 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.727 -9.502 -2.585 1.00 0.00 H new ATOM 991 N ALA A 65 -0.422 -10.229 -7.716 1.00 0.00 N ATOM 992 CA ALA A 65 0.132 -11.367 -8.448 1.00 0.00 C ATOM 993 C ALA A 65 1.143 -10.906 -9.498 1.00 0.00 C ATOM 994 O ALA A 65 2.191 -11.528 -9.674 1.00 0.00 O ATOM 995 CB ALA A 65 -0.981 -12.174 -9.099 1.00 0.00 C ATOM 0 H ALA A 65 -1.439 -10.160 -7.752 1.00 0.00 H new ATOM 0 HA ALA A 65 0.654 -12.005 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.551 -13.017 -9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.660 -12.544 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.531 -11.540 -9.794 1.00 0.00 H new ATOM 1001 N GLU A 66 0.824 -9.808 -10.184 1.00 0.00 N ATOM 1002 CA GLU A 66 1.706 -9.255 -11.209 1.00 0.00 C ATOM 1003 C GLU A 66 2.990 -8.708 -10.587 1.00 0.00 C ATOM 1004 O GLU A 66 4.083 -8.930 -11.108 1.00 0.00 O ATOM 1005 CB GLU A 66 0.991 -8.146 -11.990 1.00 0.00 C ATOM 1006 CG GLU A 66 0.008 -8.663 -13.031 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.393 -7.601 -14.038 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -0.828 -6.509 -13.610 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -0.276 -7.861 -15.254 1.00 0.00 O ATOM 0 H GLU A 66 -0.040 -9.284 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 66 1.969 -10.060 -11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.458 -7.505 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.737 -7.525 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.454 -9.507 -13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.884 -9.036 -12.528 1.00 0.00 H new ATOM 1016 N TYR A 67 2.853 -7.993 -9.469 1.00 0.00 N ATOM 1017 CA TYR A 67 4.008 -7.418 -8.780 1.00 0.00 C ATOM 1018 C TYR A 67 4.856 -8.500 -8.113 1.00 0.00 C ATOM 1019 O TYR A 67 6.084 -8.433 -8.138 1.00 0.00 O ATOM 1020 CB TYR A 67 3.561 -6.394 -7.735 1.00 0.00 C ATOM 1021 CG TYR A 67 4.413 -5.143 -7.708 1.00 0.00 C ATOM 1022 CD1 TYR A 67 5.781 -5.211 -7.466 1.00 0.00 C ATOM 1023 CD2 TYR A 67 3.848 -3.894 -7.923 1.00 0.00 C ATOM 1024 CE1 TYR A 67 6.560 -4.069 -7.442 1.00 0.00 C ATOM 1025 CE2 TYR A 67 4.620 -2.747 -7.900 1.00 0.00 C ATOM 1026 CZ TYR A 67 5.974 -2.840 -7.659 1.00 0.00 C ATOM 1027 OH TYR A 67 6.743 -1.700 -7.633 1.00 0.00 O ATOM 0 H TYR A 67 1.956 -7.799 -9.023 1.00 0.00 H new ATOM 0 HA TYR A 67 4.619 -6.918 -9.532 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.526 -6.114 -7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.583 -6.860 -6.750 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.243 -6.172 -7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.787 -3.816 -8.111 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.621 -4.139 -7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.164 -1.783 -8.070 1.00 0.00 H new ATOM 0 HH TYR A 67 6.323 -1.036 -7.048 1.00 0.00 H new ATOM 1037 N TYR A 68 4.198 -9.491 -7.516 1.00 0.00 N ATOM 1038 CA TYR A 68 4.902 -10.581 -6.839 1.00 0.00 C ATOM 1039 C TYR A 68 5.820 -11.325 -7.805 1.00 0.00 C ATOM 1040 O TYR A 68 6.937 -11.697 -7.445 1.00 0.00 O ATOM 1041 CB TYR A 68 3.912 -11.563 -6.205 1.00 0.00 C ATOM 1042 CG TYR A 68 3.529 -11.217 -4.780 1.00 0.00 C ATOM 1043 CD1 TYR A 68 4.472 -11.241 -3.758 1.00 0.00 C ATOM 1044 CD2 TYR A 68 2.223 -10.868 -4.455 1.00 0.00 C ATOM 1045 CE1 TYR A 68 4.124 -10.929 -2.456 1.00 0.00 C ATOM 1046 CE2 TYR A 68 1.869 -10.555 -3.156 1.00 0.00 C ATOM 1047 CZ TYR A 68 2.822 -10.587 -2.162 1.00 0.00 C ATOM 1048 OH TYR A 68 2.472 -10.274 -0.867 1.00 0.00 O ATOM 0 H TYR A 68 3.181 -9.563 -7.486 1.00 0.00 H new ATOM 0 HA TYR A 68 5.510 -10.137 -6.051 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.009 -11.598 -6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.346 -12.563 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.494 -11.508 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.472 -10.841 -5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.869 -10.953 -1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.850 -10.287 -2.921 1.00 0.00 H new ATOM 0 HH TYR A 68 1.518 -10.055 -0.830 1.00 0.00 H new ATOM 1058 N GLU A 69 5.346 -11.540 -9.032 1.00 0.00 N ATOM 1059 CA GLU A 69 6.135 -12.239 -10.042 1.00 0.00 C ATOM 1060 C GLU A 69 7.139 -11.296 -10.706 1.00 0.00 C ATOM 1061 O GLU A 69 8.239 -11.712 -11.072 1.00 0.00 O ATOM 1062 CB GLU A 69 5.220 -12.864 -11.098 1.00 0.00 C ATOM 1063 CG GLU A 69 4.284 -13.926 -10.539 1.00 0.00 C ATOM 1064 CD GLU A 69 3.879 -14.958 -11.575 1.00 0.00 C ATOM 1065 OE1 GLU A 69 4.755 -15.731 -12.018 1.00 0.00 O ATOM 1066 OE2 GLU A 69 2.686 -14.994 -11.942 1.00 0.00 O ATOM 0 H GLU A 69 4.423 -11.241 -9.348 1.00 0.00 H new ATOM 0 HA GLU A 69 6.691 -13.033 -9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.627 -12.078 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.834 -13.308 -11.882 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.770 -14.429 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.390 -13.444 -10.144 1.00 0.00 H new ATOM 1073 N GLU A 70 6.757 -10.027 -10.856 1.00 0.00 N ATOM 1074 CA GLU A 70 7.631 -9.031 -11.476 1.00 0.00 C ATOM 1075 C GLU A 70 8.771 -8.636 -10.538 1.00 0.00 C ATOM 1076 O GLU A 70 9.938 -8.634 -10.933 1.00 0.00 O ATOM 1077 CB GLU A 70 6.833 -7.784 -11.867 1.00 0.00 C ATOM 1078 CG GLU A 70 6.093 -7.919 -13.189 1.00 0.00 C ATOM 1079 CD GLU A 70 5.293 -6.680 -13.535 1.00 0.00 C ATOM 1080 OE1 GLU A 70 5.899 -5.692 -14.002 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.059 -6.696 -13.337 1.00 0.00 O ATOM 0 H GLU A 70 5.851 -9.666 -10.558 1.00 0.00 H new ATOM 0 HA GLU A 70 8.058 -9.480 -12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.113 -7.563 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.512 -6.933 -11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.811 -8.118 -13.985 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.424 -8.778 -13.141 1.00 0.00 H new ATOM 1088 N ALA A 71 8.424 -8.293 -9.298 1.00 0.00 N ATOM 1089 CA ALA A 71 9.414 -7.887 -8.308 1.00 0.00 C ATOM 1090 C ALA A 71 10.054 -9.094 -7.629 1.00 0.00 C ATOM 1091 O ALA A 71 9.405 -10.121 -7.423 1.00 0.00 O ATOM 1092 CB ALA A 71 8.776 -6.970 -7.274 1.00 0.00 C ATOM 0 H ALA A 71 7.463 -8.289 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 71 10.204 -7.343 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.525 -6.673 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.381 -6.083 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.964 -7.497 -6.772 1.00 0.00 H new ATOM 1098 N GLY A 72 11.333 -8.957 -7.280 1.00 0.00 N ATOM 1099 CA GLY A 72 12.049 -10.037 -6.623 1.00 0.00 C ATOM 1100 C GLY A 72 12.175 -9.826 -5.125 1.00 0.00 C ATOM 1101 O GLY A 72 13.255 -9.994 -4.559 1.00 0.00 O ATOM 0 H GLY A 72 11.886 -8.115 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.533 -10.978 -6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.044 -10.126 -7.059 1.00 0.00 H new ATOM 1105 N ILE A 73 11.067 -9.455 -4.481 1.00 0.00 N ATOM 1106 CA ILE A 73 11.058 -9.221 -3.039 1.00 0.00 C ATOM 1107 C ILE A 73 11.301 -10.520 -2.269 1.00 0.00 C ATOM 1108 O ILE A 73 10.843 -11.589 -2.675 1.00 0.00 O ATOM 1109 CB ILE A 73 9.728 -8.582 -2.578 1.00 0.00 C ATOM 1110 CG1 ILE A 73 9.775 -8.258 -1.081 1.00 0.00 C ATOM 1111 CG2 ILE A 73 8.550 -9.494 -2.898 1.00 0.00 C ATOM 1112 CD1 ILE A 73 10.743 -7.146 -0.733 1.00 0.00 C ATOM 0 H ILE A 73 10.166 -9.311 -4.936 1.00 0.00 H new ATOM 0 HA ILE A 73 11.869 -8.526 -2.823 1.00 0.00 H new ATOM 0 HB ILE A 73 9.591 -7.649 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.776 -7.977 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.054 -9.157 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.625 -9.024 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.503 -9.664 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.678 -10.447 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 73 10.724 -6.970 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.750 -7.432 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 73 10.452 -6.234 -1.255 1.00 0.00 H new ATOM 1124 N HIS A 74 12.029 -10.416 -1.159 1.00 0.00 N ATOM 1125 CA HIS A 74 12.340 -11.579 -0.329 1.00 0.00 C ATOM 1126 C HIS A 74 11.858 -11.373 1.107 1.00 0.00 C ATOM 1127 O HIS A 74 11.792 -10.239 1.589 1.00 0.00 O ATOM 1128 CB HIS A 74 13.849 -11.850 -0.329 1.00 0.00 C ATOM 1129 CG HIS A 74 14.473 -11.842 -1.692 1.00 0.00 C ATOM 1130 ND1 HIS A 74 15.305 -10.833 -2.132 1.00 0.00 N ATOM 1131 CD2 HIS A 74 14.392 -12.730 -2.711 1.00 0.00 C ATOM 1132 CE1 HIS A 74 15.708 -11.102 -3.360 1.00 0.00 C ATOM 1133 NE2 HIS A 74 15.168 -12.246 -3.737 1.00 0.00 N ATOM 0 H HIS A 74 12.415 -9.538 -0.813 1.00 0.00 H new ATOM 0 HA HIS A 74 11.820 -12.438 -0.753 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.342 -11.099 0.289 1.00 0.00 H new ATOM 0 HB3 HIS A 74 14.033 -12.818 0.137 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.823 -13.648 -2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 74 16.368 -10.489 -3.956 1.00 0.00 H new ATOM 0 HE2 HIS A 74 15.304 -12.697 -4.642 1.00 0.00 H new ATOM 1142 N PRO A 75 11.517 -12.474 1.812 1.00 0.00 N ATOM 1143 CA PRO A 75 11.042 -12.418 3.205 1.00 0.00 C ATOM 1144 C PRO A 75 12.007 -11.668 4.129 1.00 0.00 C ATOM 1145 O PRO A 75 13.180 -11.486 3.801 1.00 0.00 O ATOM 1146 CB PRO A 75 10.956 -13.892 3.613 1.00 0.00 C ATOM 1147 CG PRO A 75 10.785 -14.633 2.333 1.00 0.00 C ATOM 1148 CD PRO A 75 11.565 -13.861 1.306 1.00 0.00 C ATOM 0 HA PRO A 75 10.098 -11.880 3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.857 -14.210 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.117 -14.067 4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.156 -15.654 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.733 -14.699 2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.590 -14.223 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.117 -13.943 0.316 1.00 0.00 H new ATOM 1156 N PRO A 76 11.518 -11.221 5.305 1.00 0.00 N ATOM 1157 CA PRO A 76 12.336 -10.485 6.280 1.00 0.00 C ATOM 1158 C PRO A 76 13.428 -11.350 6.912 1.00 0.00 C ATOM 1159 O PRO A 76 14.542 -10.877 7.142 1.00 0.00 O ATOM 1160 CB PRO A 76 11.321 -10.039 7.337 1.00 0.00 C ATOM 1161 CG PRO A 76 10.197 -11.009 7.223 1.00 0.00 C ATOM 1162 CD PRO A 76 10.129 -11.397 5.772 1.00 0.00 C ATOM 0 HA PRO A 76 12.874 -9.660 5.812 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.757 -10.056 8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.983 -9.019 7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.370 -11.882 7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.260 -10.560 7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.790 -12.425 5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.436 -10.763 5.219 1.00 0.00 H new ATOM 1170 N GLU A 77 13.101 -12.616 7.188 1.00 0.00 N ATOM 1171 CA GLU A 77 14.050 -13.553 7.793 1.00 0.00 C ATOM 1172 C GLU A 77 14.576 -13.030 9.133 1.00 0.00 C ATOM 1173 O GLU A 77 15.657 -12.444 9.204 1.00 0.00 O ATOM 1174 CB GLU A 77 15.212 -13.825 6.833 1.00 0.00 C ATOM 1175 CG GLU A 77 14.893 -14.874 5.779 1.00 0.00 C ATOM 1176 CD GLU A 77 16.057 -15.806 5.509 1.00 0.00 C ATOM 1177 OE1 GLU A 77 16.416 -16.586 6.417 1.00 0.00 O ATOM 1178 OE2 GLU A 77 16.609 -15.758 4.390 1.00 0.00 O ATOM 0 H GLU A 77 12.182 -13.016 7.001 1.00 0.00 H new ATOM 0 HA GLU A 77 13.522 -14.487 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.489 -12.895 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.079 -14.150 7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.032 -15.459 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.609 -14.376 4.852 1.00 0.00 H new ATOM 1185 N PRO A 78 13.803 -13.236 10.218 1.00 0.00 N ATOM 1186 CA PRO A 78 14.179 -12.786 11.567 1.00 0.00 C ATOM 1187 C PRO A 78 15.355 -13.570 12.149 1.00 0.00 C ATOM 1188 O PRO A 78 15.879 -14.487 11.515 1.00 0.00 O ATOM 1189 CB PRO A 78 12.911 -13.035 12.389 1.00 0.00 C ATOM 1190 CG PRO A 78 12.198 -14.125 11.668 1.00 0.00 C ATOM 1191 CD PRO A 78 12.497 -13.921 10.210 1.00 0.00 C ATOM 0 HA PRO A 78 14.511 -11.748 11.567 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.153 -13.329 13.410 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.298 -12.136 12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.541 -15.104 12.003 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.125 -14.081 11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.544 -14.869 9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.730 -13.318 9.724 1.00 0.00 H new ATOM 1199 N ILE A 79 15.765 -13.199 13.363 1.00 0.00 N ATOM 1200 CA ILE A 79 16.881 -13.864 14.032 1.00 0.00 C ATOM 1201 C ILE A 79 16.391 -14.841 15.105 1.00 0.00 C ATOM 1202 O ILE A 79 16.293 -14.493 16.282 1.00 0.00 O ATOM 1203 CB ILE A 79 17.859 -12.844 14.662 1.00 0.00 C ATOM 1204 CG1 ILE A 79 17.109 -11.810 15.515 1.00 0.00 C ATOM 1205 CG2 ILE A 79 18.666 -12.151 13.572 1.00 0.00 C ATOM 1206 CD1 ILE A 79 17.831 -11.439 16.794 1.00 0.00 C ATOM 0 H ILE A 79 15.341 -12.443 13.901 1.00 0.00 H new ATOM 0 HA ILE A 79 17.414 -14.426 13.265 1.00 0.00 H new ATOM 0 HB ILE A 79 18.541 -13.386 15.317 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.951 -10.909 14.923 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.124 -12.204 15.765 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.351 -11.435 14.026 1.00 0.00 H new ATOM 0 HG22 ILE A 79 19.235 -12.894 13.013 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.990 -11.628 12.896 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.242 -10.705 17.344 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.965 -12.330 17.407 1.00 0.00 H new ATOM 0 HD13 ILE A 79 18.805 -11.015 16.552 1.00 0.00 H new ATOM 1218 N ALA A 80 16.089 -16.071 14.677 1.00 0.00 N ATOM 1219 CA ALA A 80 15.611 -17.123 15.576 1.00 0.00 C ATOM 1220 C ALA A 80 14.303 -16.725 16.263 1.00 0.00 C ATOM 1221 O ALA A 80 14.312 -16.121 17.338 1.00 0.00 O ATOM 1222 CB ALA A 80 16.678 -17.473 16.607 1.00 0.00 C ATOM 0 H ALA A 80 16.169 -16.363 13.703 1.00 0.00 H new ATOM 0 HA ALA A 80 15.408 -18.008 14.972 1.00 0.00 H new ATOM 0 HB1 ALA A 80 16.304 -18.257 17.266 1.00 0.00 H new ATOM 0 HB2 ALA A 80 17.575 -17.825 16.097 1.00 0.00 H new ATOM 0 HB3 ALA A 80 16.919 -16.588 17.196 1.00 0.00 H new ATOM 1228 N ALA A 81 13.180 -17.074 15.634 1.00 0.00 N ATOM 1229 CA ALA A 81 11.860 -16.760 16.180 1.00 0.00 C ATOM 1230 C ALA A 81 11.202 -17.993 16.810 1.00 0.00 C ATOM 1231 O ALA A 81 9.982 -18.154 16.743 1.00 0.00 O ATOM 1232 CB ALA A 81 10.968 -16.177 15.090 1.00 0.00 C ATOM 0 H ALA A 81 13.159 -17.575 14.746 1.00 0.00 H new ATOM 0 HA ALA A 81 11.990 -16.019 16.969 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.988 -15.947 15.507 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.420 -15.265 14.699 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.858 -16.902 14.283 1.00 0.00 H new ATOM 1238 N ALA A 82 12.018 -18.854 17.430 1.00 0.00 N ATOM 1239 CA ALA A 82 11.522 -20.068 18.081 1.00 0.00 C ATOM 1240 C ALA A 82 10.742 -20.955 17.104 1.00 0.00 C ATOM 1241 O ALA A 82 9.509 -20.935 17.081 1.00 0.00 O ATOM 1242 CB ALA A 82 10.656 -19.702 19.282 1.00 0.00 C ATOM 0 H ALA A 82 13.028 -18.730 17.493 1.00 0.00 H new ATOM 0 HA ALA A 82 12.383 -20.641 18.425 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.292 -20.612 19.759 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.248 -19.130 19.996 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.808 -19.102 18.950 1.00 0.00 H new ATOM 1248 N ALA A 83 11.466 -21.735 16.299 1.00 0.00 N ATOM 1249 CA ALA A 83 10.837 -22.626 15.324 1.00 0.00 C ATOM 1250 C ALA A 83 11.393 -24.043 15.429 1.00 0.00 C ATOM 1251 O ALA A 83 12.497 -24.328 14.960 1.00 0.00 O ATOM 1252 CB ALA A 83 11.023 -22.089 13.911 1.00 0.00 C ATOM 0 H ALA A 83 12.485 -21.767 16.303 1.00 0.00 H new ATOM 0 HA ALA A 83 9.771 -22.664 15.548 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.549 -22.765 13.200 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.567 -21.102 13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.087 -22.015 13.687 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -1.368 13.603 5.221 1.00 0.00 ZN