USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 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 Set 1.1: A 1 MET N :NH3+ -128:sc= 0.301 (180deg=-0.0882) USER MOD Set 1.2: A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 178:sc= 0.74 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00482 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 20 GLN : amide:sc= -4.16! C(o=-4.2!,f=-9.2!) USER MOD Single : A 21 MET CE :methyl -116:sc= -2.02 (180deg=-7.36!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.572 K(o=-0.57,f=-1.6!) USER MOD Single : A 35 TYR OH : rot -82:sc= 0.113 USER MOD Single : A 39 MET CE :methyl -120:sc= -2.41! (180deg=-3.16!) 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+ -142:sc= 0.132 (180deg=-0.0161) USER MOD Single : A 67 TYR OH : rot 130:sc= -0.0556 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.353 -3.217 22.182 1.00 0.00 N ATOM 2 CA MET A 1 6.888 -1.828 22.115 1.00 0.00 C ATOM 3 C MET A 1 8.212 -1.776 21.346 1.00 0.00 C ATOM 4 O MET A 1 8.319 -1.081 20.336 1.00 0.00 O ATOM 5 CB MET A 1 7.075 -1.296 23.543 1.00 0.00 C ATOM 6 CG MET A 1 5.796 -1.287 24.371 1.00 0.00 C ATOM 7 SD MET A 1 5.718 0.106 25.513 1.00 0.00 S ATOM 8 CE MET A 1 4.523 1.155 24.688 1.00 0.00 C ATOM 0 H1 MET A 1 5.366 -3.225 21.854 1.00 0.00 H new ATOM 0 H2 MET A 1 6.925 -3.839 21.575 1.00 0.00 H new ATOM 0 H3 MET A 1 6.394 -3.558 23.164 1.00 0.00 H new ATOM 0 HA MET A 1 6.176 -1.201 21.578 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.822 -1.905 24.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.471 -0.282 23.493 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.935 -1.253 23.703 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.726 -2.218 24.934 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.367 2.060 25.275 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.895 1.423 23.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.578 0.621 24.587 1.00 0.00 H new ATOM 20 N VAL A 2 9.218 -2.515 21.827 1.00 0.00 N ATOM 21 CA VAL A 2 10.529 -2.544 21.173 1.00 0.00 C ATOM 22 C VAL A 2 10.443 -3.163 19.773 1.00 0.00 C ATOM 23 O VAL A 2 11.057 -2.662 18.830 1.00 0.00 O ATOM 24 CB VAL A 2 11.580 -3.309 22.018 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.182 -4.768 22.215 1.00 0.00 C ATOM 26 CG2 VAL A 2 12.960 -3.211 21.378 1.00 0.00 C ATOM 0 H VAL A 2 9.150 -3.097 22.662 1.00 0.00 H new ATOM 0 HA VAL A 2 10.852 -1.507 21.081 1.00 0.00 H new ATOM 0 HB VAL A 2 11.619 -2.840 23.001 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.941 -5.275 22.811 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.223 -4.817 22.730 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.098 -5.256 21.244 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.683 -3.754 21.987 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.929 -3.644 20.378 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.256 -2.164 21.311 1.00 0.00 H new ATOM 36 N SER A 3 9.678 -4.249 19.647 1.00 0.00 N ATOM 37 CA SER A 3 9.514 -4.932 18.364 1.00 0.00 C ATOM 38 C SER A 3 8.101 -4.730 17.807 1.00 0.00 C ATOM 39 O SER A 3 7.272 -4.058 18.424 1.00 0.00 O ATOM 40 CB SER A 3 9.807 -6.426 18.524 1.00 0.00 C ATOM 41 OG SER A 3 11.199 -6.665 18.643 1.00 0.00 O ATOM 0 H SER A 3 9.163 -4.674 20.418 1.00 0.00 H new ATOM 0 HA SER A 3 10.222 -4.500 17.657 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.293 -6.808 19.406 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.414 -6.970 17.665 1.00 0.00 H new ATOM 0 HG SER A 3 11.358 -7.627 18.746 1.00 0.00 H new ATOM 47 N THR A 4 7.836 -5.319 16.635 1.00 0.00 N ATOM 48 CA THR A 4 6.522 -5.208 15.990 1.00 0.00 C ATOM 49 C THR A 4 5.433 -5.875 16.832 1.00 0.00 C ATOM 50 O THR A 4 5.728 -6.605 17.782 1.00 0.00 O ATOM 51 CB THR A 4 6.549 -5.845 14.593 1.00 0.00 C ATOM 52 OG1 THR A 4 6.772 -7.244 14.683 1.00 0.00 O ATOM 53 CG2 THR A 4 7.610 -5.268 13.677 1.00 0.00 C ATOM 0 H THR A 4 8.513 -5.877 16.114 1.00 0.00 H new ATOM 0 HA THR A 4 6.292 -4.147 15.898 1.00 0.00 H new ATOM 0 HB THR A 4 5.572 -5.624 14.164 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.758 -7.636 13.785 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.567 -5.768 12.710 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.433 -4.201 13.542 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.594 -5.419 14.120 1.00 0.00 H new ATOM 61 N TYR A 5 4.172 -5.625 16.473 1.00 0.00 N ATOM 62 CA TYR A 5 3.040 -6.208 17.191 1.00 0.00 C ATOM 63 C TYR A 5 2.437 -7.379 16.414 1.00 0.00 C ATOM 64 O TYR A 5 2.244 -8.462 16.967 1.00 0.00 O ATOM 65 CB TYR A 5 1.972 -5.142 17.473 1.00 0.00 C ATOM 66 CG TYR A 5 2.193 -4.399 18.775 1.00 0.00 C ATOM 67 CD1 TYR A 5 3.397 -3.754 19.034 1.00 0.00 C ATOM 68 CD2 TYR A 5 1.201 -4.347 19.748 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.606 -3.081 20.222 1.00 0.00 C ATOM 70 CE2 TYR A 5 1.402 -3.673 20.939 1.00 0.00 C ATOM 71 CZ TYR A 5 2.608 -3.043 21.171 1.00 0.00 C ATOM 72 OH TYR A 5 2.817 -2.374 22.356 1.00 0.00 O ATOM 0 H TYR A 5 3.911 -5.024 15.691 1.00 0.00 H new ATOM 0 HA TYR A 5 3.408 -6.590 18.143 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.959 -4.425 16.652 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.992 -5.618 17.497 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.183 -3.780 18.293 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.257 -4.841 19.571 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.548 -2.586 20.406 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.620 -3.640 21.683 1.00 0.00 H new ATOM 0 HH TYR A 5 2.015 -2.441 22.916 1.00 0.00 H new ATOM 82 N ASP A 6 2.150 -7.154 15.131 1.00 0.00 N ATOM 83 CA ASP A 6 1.574 -8.194 14.272 1.00 0.00 C ATOM 84 C ASP A 6 1.900 -7.943 12.795 1.00 0.00 C ATOM 85 O ASP A 6 2.507 -6.925 12.448 1.00 0.00 O ATOM 86 CB ASP A 6 0.053 -8.259 14.457 1.00 0.00 C ATOM 87 CG ASP A 6 -0.363 -9.238 15.539 1.00 0.00 C ATOM 88 OD1 ASP A 6 -0.118 -10.452 15.370 1.00 0.00 O ATOM 89 OD2 ASP A 6 -0.938 -8.791 16.554 1.00 0.00 O ATOM 0 H ASP A 6 2.306 -6.262 14.662 1.00 0.00 H new ATOM 0 HA ASP A 6 2.017 -9.145 14.567 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.321 -7.266 14.707 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.412 -8.547 13.514 1.00 0.00 H new ATOM 94 N GLU A 7 1.482 -8.875 11.932 1.00 0.00 N ATOM 95 CA GLU A 7 1.714 -8.757 10.491 1.00 0.00 C ATOM 96 C GLU A 7 0.392 -8.832 9.720 1.00 0.00 C ATOM 97 O GLU A 7 -0.455 -9.681 10.009 1.00 0.00 O ATOM 98 CB GLU A 7 2.675 -9.852 10.002 1.00 0.00 C ATOM 99 CG GLU A 7 2.245 -11.268 10.364 1.00 0.00 C ATOM 100 CD GLU A 7 3.259 -12.320 9.946 1.00 0.00 C ATOM 101 OE1 GLU A 7 4.477 -12.069 10.089 1.00 0.00 O ATOM 102 OE2 GLU A 7 2.836 -13.397 9.479 1.00 0.00 O ATOM 0 H GLU A 7 0.981 -9.720 12.208 1.00 0.00 H new ATOM 0 HA GLU A 7 2.171 -7.785 10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.770 -9.779 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.664 -9.666 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.088 -11.330 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.288 -11.484 9.889 1.00 0.00 H new ATOM 109 N ILE A 8 0.223 -7.940 8.740 1.00 0.00 N ATOM 110 CA ILE A 8 -0.996 -7.905 7.928 1.00 0.00 C ATOM 111 C ILE A 8 -0.667 -8.085 6.445 1.00 0.00 C ATOM 112 O ILE A 8 0.318 -7.536 5.947 1.00 0.00 O ATOM 113 CB ILE A 8 -1.777 -6.582 8.119 1.00 0.00 C ATOM 114 CG1 ILE A 8 -1.919 -6.249 9.608 1.00 0.00 C ATOM 115 CG2 ILE A 8 -3.151 -6.671 7.468 1.00 0.00 C ATOM 116 CD1 ILE A 8 -0.862 -5.296 10.121 1.00 0.00 C ATOM 0 H ILE A 8 0.914 -7.233 8.490 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.624 -8.730 8.266 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.214 -5.783 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.903 -5.814 9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.873 -7.173 10.184 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.684 -5.731 7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.036 -6.862 6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.717 -7.484 7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.027 -5.107 11.182 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.125 -5.737 9.980 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.922 -4.357 9.571 1.00 0.00 H new ATOM 128 N GLU A 9 -1.499 -8.857 5.748 1.00 0.00 N ATOM 129 CA GLU A 9 -1.302 -9.117 4.321 1.00 0.00 C ATOM 130 C GLU A 9 -1.892 -7.995 3.469 1.00 0.00 C ATOM 131 O GLU A 9 -2.919 -7.411 3.821 1.00 0.00 O ATOM 132 CB GLU A 9 -1.939 -10.455 3.932 1.00 0.00 C ATOM 133 CG GLU A 9 -1.211 -11.173 2.805 1.00 0.00 C ATOM 134 CD GLU A 9 -1.273 -12.685 2.931 1.00 0.00 C ATOM 135 OE1 GLU A 9 -0.723 -13.224 3.915 1.00 0.00 O ATOM 136 OE2 GLU A 9 -1.869 -13.330 2.043 1.00 0.00 O ATOM 0 H GLU A 9 -2.318 -9.315 6.148 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.229 -9.162 4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.965 -11.104 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.973 -10.282 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.645 -10.875 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.168 -10.857 2.793 1.00 0.00 H new ATOM 143 N ILE A 10 -1.240 -7.704 2.340 1.00 0.00 N ATOM 144 CA ILE A 10 -1.706 -6.656 1.430 1.00 0.00 C ATOM 145 C ILE A 10 -3.143 -6.923 0.967 1.00 0.00 C ATOM 146 O ILE A 10 -3.919 -5.986 0.766 1.00 0.00 O ATOM 147 CB ILE A 10 -0.769 -6.508 0.203 1.00 0.00 C ATOM 148 CG1 ILE A 10 -1.180 -5.310 -0.662 1.00 0.00 C ATOM 149 CG2 ILE A 10 -0.749 -7.783 -0.632 1.00 0.00 C ATOM 150 CD1 ILE A 10 -0.981 -3.971 0.016 1.00 0.00 C ATOM 0 H ILE A 10 -0.390 -8.178 2.035 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.689 -5.719 1.986 1.00 0.00 H new ATOM 0 HB ILE A 10 0.239 -6.331 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.605 -5.327 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.229 -5.415 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.084 -7.649 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.393 -8.613 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.756 -8.001 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.293 -3.172 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.578 -3.932 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.072 -3.843 0.267 1.00 0.00 H new ATOM 162 N GLU A 11 -3.494 -8.205 0.814 1.00 0.00 N ATOM 163 CA GLU A 11 -4.842 -8.592 0.391 1.00 0.00 C ATOM 164 C GLU A 11 -5.900 -8.065 1.369 1.00 0.00 C ATOM 165 O GLU A 11 -7.002 -7.697 0.958 1.00 0.00 O ATOM 166 CB GLU A 11 -4.953 -10.118 0.270 1.00 0.00 C ATOM 167 CG GLU A 11 -5.913 -10.578 -0.823 1.00 0.00 C ATOM 168 CD GLU A 11 -5.477 -11.870 -1.495 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.322 -11.937 -1.969 1.00 0.00 O ATOM 170 OE2 GLU A 11 -6.294 -12.813 -1.554 1.00 0.00 O ATOM 0 H GLU A 11 -2.863 -8.990 0.977 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.025 -8.146 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.964 -10.531 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.282 -10.527 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.905 -10.716 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.999 -9.795 -1.576 1.00 0.00 H new ATOM 177 N ASP A 12 -5.557 -8.020 2.662 1.00 0.00 N ATOM 178 CA ASP A 12 -6.478 -7.528 3.690 1.00 0.00 C ATOM 179 C ASP A 12 -6.226 -6.047 4.003 1.00 0.00 C ATOM 180 O ASP A 12 -6.338 -5.618 5.155 1.00 0.00 O ATOM 181 CB ASP A 12 -6.348 -8.363 4.972 1.00 0.00 C ATOM 182 CG ASP A 12 -6.815 -9.794 4.791 1.00 0.00 C ATOM 183 OD1 ASP A 12 -8.005 -9.996 4.467 1.00 0.00 O ATOM 184 OD2 ASP A 12 -5.992 -10.715 4.980 1.00 0.00 O ATOM 0 H ASP A 12 -4.649 -8.318 3.019 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.491 -7.627 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.307 -8.364 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.929 -7.894 5.766 1.00 0.00 H new ATOM 189 N MET A 13 -5.889 -5.267 2.972 1.00 0.00 N ATOM 190 CA MET A 13 -5.627 -3.836 3.137 1.00 0.00 C ATOM 191 C MET A 13 -6.590 -3.006 2.287 1.00 0.00 C ATOM 192 O MET A 13 -6.983 -3.425 1.197 1.00 0.00 O ATOM 193 CB MET A 13 -4.179 -3.514 2.749 1.00 0.00 C ATOM 194 CG MET A 13 -3.555 -2.398 3.572 1.00 0.00 C ATOM 195 SD MET A 13 -1.755 -2.372 3.454 1.00 0.00 S ATOM 196 CE MET A 13 -1.323 -1.498 4.956 1.00 0.00 C ATOM 0 H MET A 13 -5.791 -5.603 2.014 1.00 0.00 H new ATOM 0 HA MET A 13 -5.781 -3.580 4.185 1.00 0.00 H new ATOM 0 HB2 MET A 13 -3.575 -4.415 2.859 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.149 -3.236 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.951 -1.439 3.237 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.845 -2.516 4.616 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.239 -1.404 5.023 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.773 -0.505 4.942 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.693 -2.052 5.819 1.00 0.00 H new ATOM 206 N THR A 14 -6.963 -1.826 2.789 1.00 0.00 N ATOM 207 CA THR A 14 -7.879 -0.941 2.067 1.00 0.00 C ATOM 208 C THR A 14 -7.210 -0.372 0.818 1.00 0.00 C ATOM 209 O THR A 14 -6.131 0.214 0.896 1.00 0.00 O ATOM 210 CB THR A 14 -8.356 0.206 2.970 1.00 0.00 C ATOM 211 OG1 THR A 14 -8.512 -0.230 4.312 1.00 0.00 O ATOM 212 CG2 THR A 14 -9.676 0.806 2.528 1.00 0.00 C ATOM 0 H THR A 14 -6.646 -1.463 3.688 1.00 0.00 H new ATOM 0 HA THR A 14 -8.744 -1.532 1.765 1.00 0.00 H new ATOM 0 HB THR A 14 -7.580 0.968 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.815 0.519 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.956 1.610 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.575 1.203 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.448 0.036 2.540 1.00 0.00 H new ATOM 220 N PHE A 15 -7.859 -0.549 -0.332 1.00 0.00 N ATOM 221 CA PHE A 15 -7.327 -0.050 -1.600 1.00 0.00 C ATOM 222 C PHE A 15 -8.087 1.191 -2.063 1.00 0.00 C ATOM 223 O PHE A 15 -9.230 1.419 -1.662 1.00 0.00 O ATOM 224 CB PHE A 15 -7.392 -1.137 -2.685 1.00 0.00 C ATOM 225 CG PHE A 15 -8.700 -1.887 -2.736 1.00 0.00 C ATOM 226 CD1 PHE A 15 -9.876 -1.244 -3.097 1.00 0.00 C ATOM 227 CD2 PHE A 15 -8.751 -3.237 -2.423 1.00 0.00 C ATOM 228 CE1 PHE A 15 -11.074 -1.932 -3.142 1.00 0.00 C ATOM 229 CE2 PHE A 15 -9.947 -3.929 -2.468 1.00 0.00 C ATOM 230 CZ PHE A 15 -11.110 -3.276 -2.828 1.00 0.00 C ATOM 0 H PHE A 15 -8.753 -1.034 -0.412 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.284 0.222 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.213 -0.675 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.584 -1.850 -2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.855 -0.193 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.846 -3.754 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.982 -1.418 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.972 -4.980 -2.222 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.045 -3.815 -2.864 1.00 0.00 H new ATOM 240 N GLU A 16 -7.441 1.989 -2.911 1.00 0.00 N ATOM 241 CA GLU A 16 -8.046 3.208 -3.435 1.00 0.00 C ATOM 242 C GLU A 16 -7.705 3.387 -4.913 1.00 0.00 C ATOM 243 O GLU A 16 -6.766 4.109 -5.261 1.00 0.00 O ATOM 244 CB GLU A 16 -7.574 4.423 -2.634 1.00 0.00 C ATOM 245 CG GLU A 16 -8.376 4.667 -1.367 1.00 0.00 C ATOM 246 CD GLU A 16 -7.750 5.722 -0.474 1.00 0.00 C ATOM 247 OE1 GLU A 16 -6.611 5.507 -0.003 1.00 0.00 O ATOM 248 OE2 GLU A 16 -8.399 6.763 -0.244 1.00 0.00 O ATOM 0 H GLU A 16 -6.496 1.811 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.128 3.122 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.525 4.288 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.632 5.309 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.386 4.976 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.465 3.733 -0.812 1.00 0.00 H new ATOM 255 N PRO A 17 -8.469 2.727 -5.807 1.00 0.00 N ATOM 256 CA PRO A 17 -8.254 2.810 -7.260 1.00 0.00 C ATOM 257 C PRO A 17 -8.190 4.253 -7.767 1.00 0.00 C ATOM 258 O PRO A 17 -7.521 4.535 -8.762 1.00 0.00 O ATOM 259 CB PRO A 17 -9.472 2.086 -7.839 1.00 0.00 C ATOM 260 CG PRO A 17 -9.887 1.141 -6.767 1.00 0.00 C ATOM 261 CD PRO A 17 -9.603 1.846 -5.470 1.00 0.00 C ATOM 0 HA PRO A 17 -7.300 2.372 -7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.271 2.786 -8.083 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.220 1.558 -8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.944 0.891 -6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.332 0.205 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.466 2.415 -5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.345 1.143 -4.678 1.00 0.00 H new ATOM 269 N GLU A 18 -8.883 5.161 -7.070 1.00 0.00 N ATOM 270 CA GLU A 18 -8.901 6.578 -7.441 1.00 0.00 C ATOM 271 C GLU A 18 -7.480 7.138 -7.601 1.00 0.00 C ATOM 272 O GLU A 18 -7.236 7.979 -8.468 1.00 0.00 O ATOM 273 CB GLU A 18 -9.674 7.396 -6.395 1.00 0.00 C ATOM 274 CG GLU A 18 -9.165 7.223 -4.968 1.00 0.00 C ATOM 275 CD GLU A 18 -9.182 8.517 -4.176 1.00 0.00 C ATOM 276 OE1 GLU A 18 -8.341 9.399 -4.456 1.00 0.00 O ATOM 277 OE2 GLU A 18 -10.035 8.648 -3.276 1.00 0.00 O ATOM 0 H GLU A 18 -9.439 4.938 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.405 6.660 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.620 8.451 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.725 7.111 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.778 6.481 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.148 6.832 -4.995 1.00 0.00 H new ATOM 284 N ASN A 19 -6.549 6.668 -6.761 1.00 0.00 N ATOM 285 CA ASN A 19 -5.158 7.125 -6.812 1.00 0.00 C ATOM 286 C ASN A 19 -4.171 5.975 -6.549 1.00 0.00 C ATOM 287 O ASN A 19 -3.077 6.202 -6.028 1.00 0.00 O ATOM 288 CB ASN A 19 -4.940 8.247 -5.787 1.00 0.00 C ATOM 289 CG ASN A 19 -3.929 9.279 -6.258 1.00 0.00 C ATOM 290 OD1 ASN A 19 -2.737 8.992 -6.363 1.00 0.00 O ATOM 291 ND2 ASN A 19 -4.398 10.491 -6.536 1.00 0.00 N ATOM 0 H ASN A 19 -6.736 5.972 -6.039 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.967 7.503 -7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.891 8.740 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.600 7.814 -4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.762 11.224 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.394 10.688 -6.436 1.00 0.00 H new ATOM 298 N GLN A 20 -4.565 4.745 -6.911 1.00 0.00 N ATOM 299 CA GLN A 20 -3.726 3.548 -6.715 1.00 0.00 C ATOM 300 C GLN A 20 -3.017 3.550 -5.346 1.00 0.00 C ATOM 301 O GLN A 20 -1.875 3.095 -5.223 1.00 0.00 O ATOM 302 CB GLN A 20 -2.702 3.409 -7.858 1.00 0.00 C ATOM 303 CG GLN A 20 -1.624 4.488 -7.881 1.00 0.00 C ATOM 304 CD GLN A 20 -0.515 4.192 -8.880 1.00 0.00 C ATOM 305 OE1 GLN A 20 -0.237 4.996 -9.769 1.00 0.00 O ATOM 306 NE2 GLN A 20 0.123 3.035 -8.742 1.00 0.00 N ATOM 0 H GLN A 20 -5.467 4.550 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.390 2.684 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.220 2.434 -7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.234 3.426 -8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.081 5.447 -8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.193 4.586 -6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.137 2.395 -7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.873 2.786 -9.387 1.00 0.00 H new ATOM 315 N MET A 21 -3.706 4.066 -4.323 1.00 0.00 N ATOM 316 CA MET A 21 -3.157 4.142 -2.968 1.00 0.00 C ATOM 317 C MET A 21 -3.789 3.093 -2.047 1.00 0.00 C ATOM 318 O MET A 21 -4.884 2.599 -2.318 1.00 0.00 O ATOM 319 CB MET A 21 -3.393 5.547 -2.399 1.00 0.00 C ATOM 320 CG MET A 21 -2.815 5.759 -1.009 1.00 0.00 C ATOM 321 SD MET A 21 -2.900 7.483 -0.482 1.00 0.00 S ATOM 322 CE MET A 21 -1.398 7.625 0.484 1.00 0.00 C ATOM 0 H MET A 21 -4.651 4.439 -4.410 1.00 0.00 H new ATOM 0 HA MET A 21 -2.088 3.938 -3.021 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.957 6.280 -3.078 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.465 5.739 -2.368 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.355 5.137 -0.295 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.776 5.429 -0.997 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.652 7.831 1.524 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.838 6.692 0.425 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.789 8.439 0.091 1.00 0.00 H new ATOM 332 N PHE A 22 -3.094 2.762 -0.952 1.00 0.00 N ATOM 333 CA PHE A 22 -3.594 1.778 0.013 1.00 0.00 C ATOM 334 C PHE A 22 -3.533 2.324 1.442 1.00 0.00 C ATOM 335 O PHE A 22 -2.636 3.098 1.784 1.00 0.00 O ATOM 336 CB PHE A 22 -2.797 0.471 -0.079 1.00 0.00 C ATOM 337 CG PHE A 22 -3.166 -0.387 -1.259 1.00 0.00 C ATOM 338 CD1 PHE A 22 -2.866 0.019 -2.551 1.00 0.00 C ATOM 339 CD2 PHE A 22 -3.814 -1.600 -1.077 1.00 0.00 C ATOM 340 CE1 PHE A 22 -3.203 -0.767 -3.636 1.00 0.00 C ATOM 341 CE2 PHE A 22 -4.153 -2.390 -2.159 1.00 0.00 C ATOM 342 CZ PHE A 22 -3.848 -1.973 -3.440 1.00 0.00 C ATOM 0 H PHE A 22 -2.186 3.161 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.636 1.575 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.734 0.708 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.950 -0.101 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.363 0.961 -2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.056 -1.931 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.962 -0.439 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.656 -3.333 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.113 -2.589 -4.287 1.00 0.00 H new ATOM 352 N THR A 23 -4.497 1.909 2.269 1.00 0.00 N ATOM 353 CA THR A 23 -4.575 2.343 3.667 1.00 0.00 C ATOM 354 C THR A 23 -5.083 1.206 4.568 1.00 0.00 C ATOM 355 O THR A 23 -5.416 0.124 4.083 1.00 0.00 O ATOM 356 CB THR A 23 -5.506 3.560 3.790 1.00 0.00 C ATOM 357 OG1 THR A 23 -6.733 3.328 3.114 1.00 0.00 O ATOM 358 CG2 THR A 23 -4.913 4.842 3.235 1.00 0.00 C ATOM 0 H THR A 23 -5.240 1.268 1.991 1.00 0.00 H new ATOM 0 HA THR A 23 -3.573 2.620 3.993 1.00 0.00 H new ATOM 0 HB THR A 23 -5.660 3.688 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.311 4.114 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.627 5.656 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.995 5.081 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.690 4.711 2.176 1.00 0.00 H new ATOM 366 N TYR A 24 -5.148 1.462 5.881 1.00 0.00 N ATOM 367 CA TYR A 24 -5.630 0.465 6.848 1.00 0.00 C ATOM 368 C TYR A 24 -5.793 1.085 8.239 1.00 0.00 C ATOM 369 O TYR A 24 -4.916 1.810 8.705 1.00 0.00 O ATOM 370 CB TYR A 24 -4.677 -0.739 6.923 1.00 0.00 C ATOM 371 CG TYR A 24 -5.160 -1.836 7.855 1.00 0.00 C ATOM 372 CD1 TYR A 24 -4.956 -1.748 9.229 1.00 0.00 C ATOM 373 CD2 TYR A 24 -5.825 -2.954 7.364 1.00 0.00 C ATOM 374 CE1 TYR A 24 -5.402 -2.739 10.083 1.00 0.00 C ATOM 375 CE2 TYR A 24 -6.273 -3.950 8.213 1.00 0.00 C ATOM 376 CZ TYR A 24 -6.058 -3.838 9.571 1.00 0.00 C ATOM 377 OH TYR A 24 -6.505 -4.826 10.419 1.00 0.00 O ATOM 0 H TYR A 24 -4.873 2.351 6.299 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.604 0.118 6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.548 -1.153 5.923 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.697 -0.396 7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.440 -0.890 9.635 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.995 -3.046 6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.237 -2.653 11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.789 -4.811 7.815 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.947 -5.529 9.898 1.00 0.00 H new ATOM 387 N PRO A 25 -6.923 0.805 8.926 1.00 0.00 N ATOM 388 CA PRO A 25 -7.194 1.344 10.269 1.00 0.00 C ATOM 389 C PRO A 25 -6.213 0.832 11.325 1.00 0.00 C ATOM 390 O PRO A 25 -6.343 -0.291 11.819 1.00 0.00 O ATOM 391 CB PRO A 25 -8.617 0.858 10.575 1.00 0.00 C ATOM 392 CG PRO A 25 -8.808 -0.334 9.703 1.00 0.00 C ATOM 393 CD PRO A 25 -8.028 -0.053 8.450 1.00 0.00 C ATOM 0 HA PRO A 25 -7.085 2.428 10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.729 0.600 11.628 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.354 1.630 10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.448 -1.239 10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.863 -0.490 9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.657 -0.970 7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.637 0.453 7.701 1.00 0.00 H new ATOM 401 N CYS A 26 -5.236 1.670 11.671 1.00 0.00 N ATOM 402 CA CYS A 26 -4.233 1.316 12.674 1.00 0.00 C ATOM 403 C CYS A 26 -4.874 1.171 14.051 1.00 0.00 C ATOM 404 O CYS A 26 -5.742 1.963 14.426 1.00 0.00 O ATOM 405 CB CYS A 26 -3.132 2.379 12.735 1.00 0.00 C ATOM 406 SG CYS A 26 -1.750 1.962 13.850 1.00 0.00 S ATOM 0 H CYS A 26 -5.118 2.601 11.270 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.794 0.362 12.383 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.739 2.537 11.731 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.572 3.323 13.057 1.00 0.00 H new ATOM 411 N PRO A 27 -4.449 0.155 14.829 1.00 0.00 N ATOM 412 CA PRO A 27 -4.979 -0.089 16.177 1.00 0.00 C ATOM 413 C PRO A 27 -4.920 1.152 17.075 1.00 0.00 C ATOM 414 O PRO A 27 -5.724 1.291 17.998 1.00 0.00 O ATOM 415 CB PRO A 27 -4.066 -1.190 16.722 1.00 0.00 C ATOM 416 CG PRO A 27 -3.564 -1.895 15.512 1.00 0.00 C ATOM 417 CD PRO A 27 -3.418 -0.835 14.457 1.00 0.00 C ATOM 0 HA PRO A 27 -6.034 -0.361 16.151 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.246 -0.772 17.306 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.611 -1.868 17.378 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.610 -2.384 15.711 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.260 -2.671 15.194 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.420 -0.398 14.461 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.586 -1.236 13.457 1.00 0.00 H new ATOM 425 N CYS A 28 -3.966 2.052 16.801 1.00 0.00 N ATOM 426 CA CYS A 28 -3.813 3.275 17.590 1.00 0.00 C ATOM 427 C CYS A 28 -4.999 4.226 17.393 1.00 0.00 C ATOM 428 O CYS A 28 -5.446 4.873 18.345 1.00 0.00 O ATOM 429 CB CYS A 28 -2.501 3.986 17.233 1.00 0.00 C ATOM 430 SG CYS A 28 -2.633 5.196 15.874 1.00 0.00 S ATOM 0 H CYS A 28 -3.292 1.954 16.041 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.786 2.986 18.641 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.128 4.497 18.121 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.759 3.235 16.961 1.00 0.00 H new ATOM 435 N GLY A 29 -5.502 4.312 16.158 1.00 0.00 N ATOM 436 CA GLY A 29 -6.625 5.191 15.871 1.00 0.00 C ATOM 437 C GLY A 29 -6.649 5.684 14.432 1.00 0.00 C ATOM 438 O GLY A 29 -7.689 5.630 13.773 1.00 0.00 O ATOM 0 H GLY A 29 -5.151 3.789 15.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.555 4.663 16.083 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.586 6.049 16.542 1.00 0.00 H new ATOM 442 N ASP A 30 -5.505 6.170 13.944 1.00 0.00 N ATOM 443 CA ASP A 30 -5.402 6.679 12.573 1.00 0.00 C ATOM 444 C ASP A 30 -5.351 5.530 11.559 1.00 0.00 C ATOM 445 O ASP A 30 -5.518 4.365 11.922 1.00 0.00 O ATOM 446 CB ASP A 30 -4.155 7.561 12.437 1.00 0.00 C ATOM 447 CG ASP A 30 -4.414 8.824 11.636 1.00 0.00 C ATOM 448 OD1 ASP A 30 -4.602 8.719 10.405 1.00 0.00 O ATOM 449 OD2 ASP A 30 -4.425 9.917 12.238 1.00 0.00 O ATOM 0 H ASP A 30 -4.637 6.222 14.477 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.290 7.275 12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.797 7.833 13.430 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.361 6.988 11.958 1.00 0.00 H new ATOM 454 N ARG A 31 -5.124 5.862 10.285 1.00 0.00 N ATOM 455 CA ARG A 31 -5.054 4.852 9.229 1.00 0.00 C ATOM 456 C ARG A 31 -3.713 4.910 8.497 1.00 0.00 C ATOM 457 O ARG A 31 -3.206 5.992 8.195 1.00 0.00 O ATOM 458 CB ARG A 31 -6.199 5.044 8.226 1.00 0.00 C ATOM 459 CG ARG A 31 -7.476 4.305 8.602 1.00 0.00 C ATOM 460 CD ARG A 31 -8.665 4.776 7.775 1.00 0.00 C ATOM 461 NE ARG A 31 -9.930 4.229 8.272 1.00 0.00 N ATOM 462 CZ ARG A 31 -11.065 4.200 7.569 1.00 0.00 C ATOM 463 NH1 ARG A 31 -11.107 4.683 6.330 1.00 0.00 N ATOM 464 NH2 ARG A 31 -12.164 3.682 8.106 1.00 0.00 N ATOM 0 H ARG A 31 -4.986 6.820 9.962 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.149 3.874 9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.418 6.108 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.870 4.705 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.333 3.234 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.686 4.457 9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.709 5.865 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.525 4.478 6.736 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.945 3.845 9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.267 5.080 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.979 4.656 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.140 3.307 9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.032 3.659 7.570 1.00 0.00 H new ATOM 478 N PHE A 32 -3.149 3.736 8.207 1.00 0.00 N ATOM 479 CA PHE A 32 -1.871 3.642 7.501 1.00 0.00 C ATOM 480 C PHE A 32 -2.017 4.094 6.049 1.00 0.00 C ATOM 481 O PHE A 32 -3.132 4.251 5.549 1.00 0.00 O ATOM 482 CB PHE A 32 -1.346 2.203 7.538 1.00 0.00 C ATOM 483 CG PHE A 32 -0.698 1.824 8.841 1.00 0.00 C ATOM 484 CD1 PHE A 32 0.608 2.199 9.117 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.394 1.090 9.787 1.00 0.00 C ATOM 486 CE1 PHE A 32 1.207 1.848 10.312 1.00 0.00 C ATOM 487 CE2 PHE A 32 -0.800 0.737 10.984 1.00 0.00 C ATOM 488 CZ PHE A 32 0.502 1.116 11.247 1.00 0.00 C ATOM 0 H PHE A 32 -3.559 2.835 8.451 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.161 4.298 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.173 1.520 7.342 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.624 2.069 6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.164 2.772 8.390 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.412 0.790 9.587 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.225 2.146 10.514 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.354 0.165 11.714 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.968 0.840 12.182 1.00 0.00 H new ATOM 498 N GLN A 33 -0.884 4.293 5.373 1.00 0.00 N ATOM 499 CA GLN A 33 -0.892 4.718 3.974 1.00 0.00 C ATOM 500 C GLN A 33 0.361 4.238 3.243 1.00 0.00 C ATOM 501 O GLN A 33 1.467 4.297 3.784 1.00 0.00 O ATOM 502 CB GLN A 33 -1.011 6.245 3.866 1.00 0.00 C ATOM 503 CG GLN A 33 -0.053 7.017 4.765 1.00 0.00 C ATOM 504 CD GLN A 33 1.318 7.214 4.142 1.00 0.00 C ATOM 505 OE1 GLN A 33 1.447 7.358 2.925 1.00 0.00 O ATOM 506 NE2 GLN A 33 2.352 7.222 4.976 1.00 0.00 N ATOM 0 H GLN A 33 0.047 4.167 5.771 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.762 4.265 3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.835 6.539 2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.033 6.536 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.485 7.991 4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.057 6.486 5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.201 7.099 5.977 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.297 7.351 4.615 1.00 0.00 H new ATOM 515 N ILE A 34 0.176 3.766 2.009 1.00 0.00 N ATOM 516 CA ILE A 34 1.288 3.280 1.192 1.00 0.00 C ATOM 517 C ILE A 34 0.820 2.937 -0.225 1.00 0.00 C ATOM 518 O ILE A 34 -0.145 2.192 -0.405 1.00 0.00 O ATOM 519 CB ILE A 34 1.977 2.049 1.837 1.00 0.00 C ATOM 520 CG1 ILE A 34 3.210 1.635 1.029 1.00 0.00 C ATOM 521 CG2 ILE A 34 1.007 0.881 1.973 1.00 0.00 C ATOM 522 CD1 ILE A 34 4.349 1.129 1.887 1.00 0.00 C ATOM 0 H ILE A 34 -0.735 3.710 1.553 1.00 0.00 H new ATOM 0 HA ILE A 34 2.019 4.086 1.135 1.00 0.00 H new ATOM 0 HB ILE A 34 2.300 2.334 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.926 0.858 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.556 2.488 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.520 0.034 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.167 1.177 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.640 0.596 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.190 0.853 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.659 1.912 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.020 0.256 2.451 1.00 0.00 H new ATOM 534 N TYR A 35 1.507 3.490 -1.226 1.00 0.00 N ATOM 535 CA TYR A 35 1.158 3.245 -2.627 1.00 0.00 C ATOM 536 C TYR A 35 1.752 1.923 -3.109 1.00 0.00 C ATOM 537 O TYR A 35 2.870 1.563 -2.734 1.00 0.00 O ATOM 538 CB TYR A 35 1.658 4.389 -3.519 1.00 0.00 C ATOM 539 CG TYR A 35 0.933 5.704 -3.312 1.00 0.00 C ATOM 540 CD1 TYR A 35 1.272 6.549 -2.262 1.00 0.00 C ATOM 541 CD2 TYR A 35 -0.086 6.103 -4.171 1.00 0.00 C ATOM 542 CE1 TYR A 35 0.619 7.751 -2.074 1.00 0.00 C ATOM 543 CE2 TYR A 35 -0.742 7.307 -3.989 1.00 0.00 C ATOM 544 CZ TYR A 35 -0.387 8.126 -2.939 1.00 0.00 C ATOM 545 OH TYR A 35 -1.039 9.326 -2.753 1.00 0.00 O ATOM 0 H TYR A 35 2.307 4.109 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 35 0.071 3.191 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.721 4.541 -3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.556 4.092 -4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.060 6.261 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.369 5.462 -4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.895 8.395 -1.252 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.529 7.604 -4.667 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.736 9.217 -2.073 1.00 0.00 H new ATOM 555 N LEU A 36 1.001 1.206 -3.949 1.00 0.00 N ATOM 556 CA LEU A 36 1.462 -0.077 -4.489 1.00 0.00 C ATOM 557 C LEU A 36 2.816 0.071 -5.192 1.00 0.00 C ATOM 558 O LEU A 36 3.652 -0.832 -5.134 1.00 0.00 O ATOM 559 CB LEU A 36 0.422 -0.666 -5.454 1.00 0.00 C ATOM 560 CG LEU A 36 0.032 0.229 -6.637 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.925 -0.042 -7.840 1.00 0.00 C ATOM 562 CD2 LEU A 36 -1.429 0.018 -7.002 1.00 0.00 C ATOM 0 H LEU A 36 0.075 1.490 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 36 1.588 -0.763 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.808 -1.607 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.479 -0.902 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 36 0.171 1.268 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.629 0.605 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.963 0.160 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.823 -1.085 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.690 0.660 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.588 -1.024 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.057 0.267 -6.147 1.00 0.00 H new ATOM 574 N ASP A 37 3.026 1.216 -5.848 1.00 0.00 N ATOM 575 CA ASP A 37 4.280 1.483 -6.554 1.00 0.00 C ATOM 576 C ASP A 37 5.466 1.482 -5.586 1.00 0.00 C ATOM 577 O ASP A 37 6.502 0.875 -5.866 1.00 0.00 O ATOM 578 CB ASP A 37 4.201 2.825 -7.293 1.00 0.00 C ATOM 579 CG ASP A 37 4.865 2.782 -8.658 1.00 0.00 C ATOM 580 OD1 ASP A 37 4.440 1.964 -9.503 1.00 0.00 O ATOM 581 OD2 ASP A 37 5.806 3.571 -8.884 1.00 0.00 O ATOM 0 H ASP A 37 2.343 1.972 -5.904 1.00 0.00 H new ATOM 0 HA ASP A 37 4.434 0.687 -7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.155 3.109 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.675 3.597 -6.687 1.00 0.00 H new ATOM 586 N ASP A 38 5.305 2.155 -4.444 1.00 0.00 N ATOM 587 CA ASP A 38 6.360 2.220 -3.431 1.00 0.00 C ATOM 588 C ASP A 38 6.699 0.822 -2.912 1.00 0.00 C ATOM 589 O ASP A 38 7.871 0.475 -2.755 1.00 0.00 O ATOM 590 CB ASP A 38 5.933 3.117 -2.264 1.00 0.00 C ATOM 591 CG ASP A 38 6.024 4.595 -2.593 1.00 0.00 C ATOM 592 OD1 ASP A 38 5.088 5.121 -3.232 1.00 0.00 O ATOM 593 OD2 ASP A 38 7.029 5.229 -2.207 1.00 0.00 O ATOM 0 H ASP A 38 4.455 2.662 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 38 7.248 2.646 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.908 2.875 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.561 2.903 -1.399 1.00 0.00 H new ATOM 598 N MET A 39 5.661 0.021 -2.655 1.00 0.00 N ATOM 599 CA MET A 39 5.843 -1.344 -2.162 1.00 0.00 C ATOM 600 C MET A 39 6.659 -2.182 -3.152 1.00 0.00 C ATOM 601 O MET A 39 7.429 -3.055 -2.746 1.00 0.00 O ATOM 602 CB MET A 39 4.485 -2.008 -1.909 1.00 0.00 C ATOM 603 CG MET A 39 3.714 -1.405 -0.743 1.00 0.00 C ATOM 604 SD MET A 39 2.612 -2.592 0.053 1.00 0.00 S ATOM 605 CE MET A 39 2.977 -2.295 1.781 1.00 0.00 C ATOM 0 H MET A 39 4.687 0.296 -2.781 1.00 0.00 H new ATOM 0 HA MET A 39 6.392 -1.290 -1.222 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.879 -1.930 -2.812 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.640 -3.070 -1.719 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.420 -1.020 -0.007 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.130 -0.556 -1.099 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.353 -3.211 2.236 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.731 -1.513 1.864 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.069 -1.980 2.296 1.00 0.00 H new ATOM 615 N PHE A 40 6.491 -1.905 -4.450 1.00 0.00 N ATOM 616 CA PHE A 40 7.219 -2.626 -5.498 1.00 0.00 C ATOM 617 C PHE A 40 8.732 -2.529 -5.281 1.00 0.00 C ATOM 618 O PHE A 40 9.456 -3.506 -5.480 1.00 0.00 O ATOM 619 CB PHE A 40 6.851 -2.070 -6.881 1.00 0.00 C ATOM 620 CG PHE A 40 6.618 -3.126 -7.934 1.00 0.00 C ATOM 621 CD1 PHE A 40 7.525 -4.160 -8.123 1.00 0.00 C ATOM 622 CD2 PHE A 40 5.492 -3.075 -8.743 1.00 0.00 C ATOM 623 CE1 PHE A 40 7.309 -5.121 -9.094 1.00 0.00 C ATOM 624 CE2 PHE A 40 5.273 -4.034 -9.716 1.00 0.00 C ATOM 625 CZ PHE A 40 6.183 -5.057 -9.891 1.00 0.00 C ATOM 0 H PHE A 40 5.857 -1.186 -4.799 1.00 0.00 H new ATOM 0 HA PHE A 40 6.931 -3.676 -5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.951 -1.462 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.649 -1.408 -7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.409 -4.215 -7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.777 -2.276 -8.612 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.021 -5.922 -9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.391 -3.982 -10.338 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.015 -5.806 -10.650 1.00 0.00 H new ATOM 635 N GLU A 41 9.205 -1.347 -4.868 1.00 0.00 N ATOM 636 CA GLU A 41 10.632 -1.134 -4.621 1.00 0.00 C ATOM 637 C GLU A 41 11.114 -1.984 -3.444 1.00 0.00 C ATOM 638 O GLU A 41 12.129 -2.677 -3.546 1.00 0.00 O ATOM 639 CB GLU A 41 10.922 0.349 -4.350 1.00 0.00 C ATOM 640 CG GLU A 41 11.060 1.188 -5.613 1.00 0.00 C ATOM 641 CD GLU A 41 11.004 2.679 -5.334 1.00 0.00 C ATOM 642 OE1 GLU A 41 9.940 3.163 -4.892 1.00 0.00 O ATOM 643 OE2 GLU A 41 12.025 3.364 -5.560 1.00 0.00 O ATOM 0 H GLU A 41 8.621 -0.528 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 41 11.174 -1.439 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.120 0.761 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.841 0.430 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.005 0.949 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.265 0.923 -6.309 1.00 0.00 H new ATOM 650 N GLY A 42 10.379 -1.932 -2.330 1.00 0.00 N ATOM 651 CA GLY A 42 10.751 -2.709 -1.159 1.00 0.00 C ATOM 652 C GLY A 42 10.256 -2.099 0.140 1.00 0.00 C ATOM 653 O GLY A 42 11.041 -1.524 0.896 1.00 0.00 O ATOM 0 H GLY A 42 9.537 -1.367 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.349 -3.718 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.836 -2.801 -1.120 1.00 0.00 H new ATOM 657 N GLU A 43 8.954 -2.228 0.405 1.00 0.00 N ATOM 658 CA GLU A 43 8.365 -1.686 1.628 1.00 0.00 C ATOM 659 C GLU A 43 7.544 -2.745 2.366 1.00 0.00 C ATOM 660 O GLU A 43 6.376 -2.977 2.045 1.00 0.00 O ATOM 661 CB GLU A 43 7.491 -0.468 1.306 1.00 0.00 C ATOM 662 CG GLU A 43 7.592 0.648 2.339 1.00 0.00 C ATOM 663 CD GLU A 43 8.971 1.281 2.398 1.00 0.00 C ATOM 664 OE1 GLU A 43 9.588 1.475 1.328 1.00 0.00 O ATOM 665 OE2 GLU A 43 9.435 1.585 3.517 1.00 0.00 O ATOM 0 H GLU A 43 8.291 -2.701 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 43 9.180 -1.375 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.776 -0.075 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.452 -0.788 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.855 1.417 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.339 0.250 3.322 1.00 0.00 H new ATOM 672 N LYS A 44 8.168 -3.382 3.359 1.00 0.00 N ATOM 673 CA LYS A 44 7.508 -4.419 4.159 1.00 0.00 C ATOM 674 C LYS A 44 7.284 -3.955 5.603 1.00 0.00 C ATOM 675 O LYS A 44 6.308 -4.351 6.241 1.00 0.00 O ATOM 676 CB LYS A 44 8.328 -5.717 4.144 1.00 0.00 C ATOM 677 CG LYS A 44 9.805 -5.520 4.454 1.00 0.00 C ATOM 678 CD LYS A 44 10.557 -6.843 4.460 1.00 0.00 C ATOM 679 CE LYS A 44 10.996 -7.246 3.059 1.00 0.00 C ATOM 680 NZ LYS A 44 11.765 -8.523 3.058 1.00 0.00 N ATOM 0 H LYS A 44 9.134 -3.198 3.630 1.00 0.00 H new ATOM 0 HA LYS A 44 6.534 -4.610 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.904 -6.411 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.232 -6.184 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.247 -4.853 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.912 -5.035 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.431 -6.762 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.921 -7.622 4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.119 -7.351 2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.609 -6.454 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.044 -8.760 2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.616 -8.416 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.172 -9.286 3.443 1.00 0.00 H new ATOM 694 N VAL A 45 8.189 -3.114 6.115 1.00 0.00 N ATOM 695 CA VAL A 45 8.076 -2.603 7.481 1.00 0.00 C ATOM 696 C VAL A 45 7.751 -1.106 7.484 1.00 0.00 C ATOM 697 O VAL A 45 8.640 -0.264 7.343 1.00 0.00 O ATOM 698 CB VAL A 45 9.364 -2.856 8.304 1.00 0.00 C ATOM 699 CG1 VAL A 45 9.451 -4.317 8.724 1.00 0.00 C ATOM 700 CG2 VAL A 45 10.611 -2.449 7.528 1.00 0.00 C ATOM 0 H VAL A 45 9.004 -2.775 5.604 1.00 0.00 H new ATOM 0 HA VAL A 45 7.258 -3.149 7.952 1.00 0.00 H new ATOM 0 HB VAL A 45 9.312 -2.236 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.362 -4.476 9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.585 -4.572 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.468 -4.950 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.496 -2.640 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.671 -3.028 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.559 -1.387 7.287 1.00 0.00 H new ATOM 710 N ALA A 46 6.464 -0.785 7.638 1.00 0.00 N ATOM 711 CA ALA A 46 6.007 0.606 7.651 1.00 0.00 C ATOM 712 C ALA A 46 5.785 1.111 9.079 1.00 0.00 C ATOM 713 O ALA A 46 5.526 0.324 9.993 1.00 0.00 O ATOM 714 CB ALA A 46 4.729 0.745 6.833 1.00 0.00 C ATOM 0 H ALA A 46 5.719 -1.472 7.756 1.00 0.00 H new ATOM 0 HA ALA A 46 6.787 1.220 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.398 1.783 6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.921 0.441 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.953 0.110 7.260 1.00 0.00 H new ATOM 720 N VAL A 47 5.887 2.430 9.262 1.00 0.00 N ATOM 721 CA VAL A 47 5.699 3.044 10.577 1.00 0.00 C ATOM 722 C VAL A 47 4.519 4.020 10.572 1.00 0.00 C ATOM 723 O VAL A 47 4.330 4.776 9.616 1.00 0.00 O ATOM 724 CB VAL A 47 6.982 3.779 11.043 1.00 0.00 C ATOM 725 CG1 VAL A 47 7.351 4.909 10.089 1.00 0.00 C ATOM 726 CG2 VAL A 47 6.818 4.307 12.462 1.00 0.00 C ATOM 0 H VAL A 47 6.099 3.092 8.516 1.00 0.00 H new ATOM 0 HA VAL A 47 5.483 2.238 11.278 1.00 0.00 H new ATOM 0 HB VAL A 47 7.798 3.056 11.037 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.255 5.404 10.444 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.528 4.502 9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.535 5.630 10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.731 4.819 12.768 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.982 5.005 12.496 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.624 3.475 13.140 1.00 0.00 H new ATOM 736 N CYS A 48 3.730 3.998 11.648 1.00 0.00 N ATOM 737 CA CYS A 48 2.571 4.883 11.768 1.00 0.00 C ATOM 738 C CYS A 48 3.001 6.294 12.167 1.00 0.00 C ATOM 739 O CYS A 48 3.831 6.466 13.063 1.00 0.00 O ATOM 740 CB CYS A 48 1.579 4.333 12.801 1.00 0.00 C ATOM 741 SG CYS A 48 0.078 5.346 13.017 1.00 0.00 S ATOM 0 H CYS A 48 3.872 3.379 12.446 1.00 0.00 H new ATOM 0 HA CYS A 48 2.083 4.929 10.794 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.284 3.327 12.504 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.085 4.246 13.762 1.00 0.00 H new ATOM 746 N PRO A 49 2.440 7.330 11.508 1.00 0.00 N ATOM 747 CA PRO A 49 2.769 8.727 11.803 1.00 0.00 C ATOM 748 C PRO A 49 1.965 9.302 12.979 1.00 0.00 C ATOM 749 O PRO A 49 1.857 10.523 13.126 1.00 0.00 O ATOM 750 CB PRO A 49 2.406 9.433 10.498 1.00 0.00 C ATOM 751 CG PRO A 49 1.267 8.643 9.944 1.00 0.00 C ATOM 752 CD PRO A 49 1.445 7.221 10.423 1.00 0.00 C ATOM 0 HA PRO A 49 3.808 8.850 12.109 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.120 10.470 10.675 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.250 9.449 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.314 9.049 10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.261 8.686 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.506 6.801 10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.798 6.571 9.622 1.00 0.00 H new ATOM 760 N SER A 50 1.411 8.420 13.816 1.00 0.00 N ATOM 761 CA SER A 50 0.629 8.832 14.978 1.00 0.00 C ATOM 762 C SER A 50 1.148 8.142 16.243 1.00 0.00 C ATOM 763 O SER A 50 1.566 8.810 17.191 1.00 0.00 O ATOM 764 CB SER A 50 -0.856 8.512 14.761 1.00 0.00 C ATOM 765 OG SER A 50 -1.669 9.117 15.753 1.00 0.00 O ATOM 0 H SER A 50 1.493 7.409 13.706 1.00 0.00 H new ATOM 0 HA SER A 50 0.736 9.909 15.105 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.164 8.860 13.775 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.003 7.432 14.778 1.00 0.00 H new ATOM 0 HG SER A 50 -2.609 8.895 15.586 1.00 0.00 H new ATOM 771 N CYS A 51 1.129 6.804 16.248 1.00 0.00 N ATOM 772 CA CYS A 51 1.607 6.030 17.400 1.00 0.00 C ATOM 773 C CYS A 51 3.066 5.584 17.230 1.00 0.00 C ATOM 774 O CYS A 51 3.740 5.269 18.214 1.00 0.00 O ATOM 775 CB CYS A 51 0.713 4.807 17.636 1.00 0.00 C ATOM 776 SG CYS A 51 0.869 3.501 16.373 1.00 0.00 S ATOM 0 H CYS A 51 0.790 6.237 15.471 1.00 0.00 H new ATOM 0 HA CYS A 51 1.558 6.687 18.268 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.951 4.382 18.611 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.326 5.134 17.675 1.00 0.00 H new ATOM 781 N SER A 52 3.548 5.552 15.982 1.00 0.00 N ATOM 782 CA SER A 52 4.922 5.138 15.685 1.00 0.00 C ATOM 783 C SER A 52 5.136 3.648 15.992 1.00 0.00 C ATOM 784 O SER A 52 6.186 3.251 16.503 1.00 0.00 O ATOM 785 CB SER A 52 5.924 5.994 16.473 1.00 0.00 C ATOM 786 OG SER A 52 7.153 6.112 15.777 1.00 0.00 O ATOM 0 H SER A 52 3.003 5.809 15.159 1.00 0.00 H new ATOM 0 HA SER A 52 5.092 5.289 14.619 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.504 6.985 16.646 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.098 5.547 17.452 1.00 0.00 H new ATOM 0 HG SER A 52 7.773 6.663 16.299 1.00 0.00 H new ATOM 792 N LEU A 53 4.131 2.831 15.669 1.00 0.00 N ATOM 793 CA LEU A 53 4.194 1.387 15.901 1.00 0.00 C ATOM 794 C LEU A 53 4.744 0.660 14.669 1.00 0.00 C ATOM 795 O LEU A 53 4.408 1.005 13.533 1.00 0.00 O ATOM 796 CB LEU A 53 2.797 0.861 16.257 1.00 0.00 C ATOM 797 CG LEU A 53 2.702 -0.641 16.548 1.00 0.00 C ATOM 798 CD1 LEU A 53 1.704 -0.905 17.666 1.00 0.00 C ATOM 799 CD2 LEU A 53 2.305 -1.401 15.293 1.00 0.00 C ATOM 0 H LEU A 53 3.260 3.148 15.244 1.00 0.00 H new ATOM 0 HA LEU A 53 4.871 1.194 16.733 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.437 1.404 17.131 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.121 1.096 15.435 1.00 0.00 H new ATOM 0 HG LEU A 53 3.682 -0.992 16.870 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.649 -1.976 17.859 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.026 -0.389 18.571 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.721 -0.539 17.370 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.242 -2.466 15.517 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.335 -1.046 14.944 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.052 -1.237 14.517 1.00 0.00 H new ATOM 811 N MET A 54 5.595 -0.343 14.902 1.00 0.00 N ATOM 812 CA MET A 54 6.197 -1.115 13.812 1.00 0.00 C ATOM 813 C MET A 54 5.313 -2.298 13.415 1.00 0.00 C ATOM 814 O MET A 54 4.908 -3.096 14.264 1.00 0.00 O ATOM 815 CB MET A 54 7.590 -1.615 14.217 1.00 0.00 C ATOM 816 CG MET A 54 8.696 -0.594 13.999 1.00 0.00 C ATOM 817 SD MET A 54 10.338 -1.263 14.336 1.00 0.00 S ATOM 818 CE MET A 54 10.719 -2.040 12.768 1.00 0.00 C ATOM 0 H MET A 54 5.882 -0.639 15.835 1.00 0.00 H new ATOM 0 HA MET A 54 6.291 -0.455 12.949 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.572 -1.898 15.269 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.822 -2.515 13.648 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.658 -0.237 12.970 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.521 0.268 14.642 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.706 -2.499 12.820 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.974 -2.805 12.551 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.709 -1.289 11.978 1.00 0.00 H new ATOM 828 N ILE A 55 5.021 -2.406 12.116 1.00 0.00 N ATOM 829 CA ILE A 55 4.186 -3.491 11.597 1.00 0.00 C ATOM 830 C ILE A 55 4.820 -4.148 10.368 1.00 0.00 C ATOM 831 O ILE A 55 5.358 -3.460 9.497 1.00 0.00 O ATOM 832 CB ILE A 55 2.771 -2.994 11.216 1.00 0.00 C ATOM 833 CG1 ILE A 55 2.851 -1.722 10.360 1.00 0.00 C ATOM 834 CG2 ILE A 55 1.934 -2.746 12.463 1.00 0.00 C ATOM 835 CD1 ILE A 55 1.782 -1.640 9.291 1.00 0.00 C ATOM 0 H ILE A 55 5.351 -1.754 11.404 1.00 0.00 H new ATOM 0 HA ILE A 55 4.105 -4.223 12.400 1.00 0.00 H new ATOM 0 HB ILE A 55 2.287 -3.772 10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.770 -0.851 11.010 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.831 -1.675 9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.943 -2.397 12.173 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.841 -3.673 13.029 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.418 -1.990 13.082 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.902 -0.715 8.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.876 -2.491 8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.798 -1.655 9.759 1.00 0.00 H new ATOM 847 N ASP A 56 4.738 -5.479 10.296 1.00 0.00 N ATOM 848 CA ASP A 56 5.290 -6.224 9.163 1.00 0.00 C ATOM 849 C ASP A 56 4.193 -6.529 8.143 1.00 0.00 C ATOM 850 O ASP A 56 3.568 -7.591 8.192 1.00 0.00 O ATOM 851 CB ASP A 56 5.936 -7.536 9.628 1.00 0.00 C ATOM 852 CG ASP A 56 6.911 -7.344 10.772 1.00 0.00 C ATOM 853 OD1 ASP A 56 7.949 -6.680 10.568 1.00 0.00 O ATOM 854 OD2 ASP A 56 6.640 -7.865 11.873 1.00 0.00 O ATOM 0 H ASP A 56 4.296 -6.061 11.007 1.00 0.00 H new ATOM 0 HA ASP A 56 6.056 -5.604 8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.154 -8.230 9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.456 -7.996 8.788 1.00 0.00 H new ATOM 859 N VAL A 57 3.959 -5.598 7.221 1.00 0.00 N ATOM 860 CA VAL A 57 2.933 -5.783 6.200 1.00 0.00 C ATOM 861 C VAL A 57 3.527 -6.391 4.926 1.00 0.00 C ATOM 862 O VAL A 57 4.351 -5.770 4.250 1.00 0.00 O ATOM 863 CB VAL A 57 2.197 -4.457 5.877 1.00 0.00 C ATOM 864 CG1 VAL A 57 3.144 -3.410 5.304 1.00 0.00 C ATOM 865 CG2 VAL A 57 1.030 -4.707 4.930 1.00 0.00 C ATOM 0 H VAL A 57 4.463 -4.713 7.160 1.00 0.00 H new ATOM 0 HA VAL A 57 2.199 -6.480 6.605 1.00 0.00 H new ATOM 0 HB VAL A 57 1.805 -4.063 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.590 -2.496 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.931 -3.197 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.589 -3.787 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.527 -3.764 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.402 -5.139 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.326 -5.397 5.395 1.00 0.00 H new ATOM 875 N VAL A 58 3.108 -7.620 4.614 1.00 0.00 N ATOM 876 CA VAL A 58 3.599 -8.326 3.431 1.00 0.00 C ATOM 877 C VAL A 58 2.835 -7.903 2.175 1.00 0.00 C ATOM 878 O VAL A 58 1.644 -7.590 2.236 1.00 0.00 O ATOM 879 CB VAL A 58 3.510 -9.863 3.609 1.00 0.00 C ATOM 880 CG1 VAL A 58 2.065 -10.323 3.756 1.00 0.00 C ATOM 881 CG2 VAL A 58 4.188 -10.583 2.451 1.00 0.00 C ATOM 0 H VAL A 58 2.430 -8.146 5.165 1.00 0.00 H new ATOM 0 HA VAL A 58 4.647 -8.053 3.310 1.00 0.00 H new ATOM 0 HB VAL A 58 4.036 -10.119 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.039 -11.406 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.619 -9.848 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.502 -10.045 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.113 -11.660 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.699 -10.309 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.238 -10.295 2.409 1.00 0.00 H new ATOM 891 N PHE A 59 3.536 -7.889 1.040 1.00 0.00 N ATOM 892 CA PHE A 59 2.936 -7.498 -0.235 1.00 0.00 C ATOM 893 C PHE A 59 3.056 -8.617 -1.271 1.00 0.00 C ATOM 894 O PHE A 59 3.757 -9.607 -1.050 1.00 0.00 O ATOM 895 CB PHE A 59 3.600 -6.218 -0.759 1.00 0.00 C ATOM 896 CG PHE A 59 5.076 -6.361 -1.029 1.00 0.00 C ATOM 897 CD1 PHE A 59 5.528 -6.863 -2.241 1.00 0.00 C ATOM 898 CD2 PHE A 59 6.011 -5.992 -0.073 1.00 0.00 C ATOM 899 CE1 PHE A 59 6.881 -6.996 -2.492 1.00 0.00 C ATOM 900 CE2 PHE A 59 7.365 -6.122 -0.319 1.00 0.00 C ATOM 901 CZ PHE A 59 7.800 -6.625 -1.530 1.00 0.00 C ATOM 0 H PHE A 59 4.522 -8.145 0.979 1.00 0.00 H new ATOM 0 HA PHE A 59 1.876 -7.309 -0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.101 -5.912 -1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.449 -5.419 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.814 -7.153 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.677 -5.598 0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.219 -7.390 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.082 -5.831 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.857 -6.728 -1.724 1.00 0.00 H new ATOM 911 N ASP A 60 2.366 -8.452 -2.403 1.00 0.00 N ATOM 912 CA ASP A 60 2.392 -9.448 -3.475 1.00 0.00 C ATOM 913 C ASP A 60 2.641 -8.798 -4.836 1.00 0.00 C ATOM 914 O ASP A 60 2.517 -7.582 -4.986 1.00 0.00 O ATOM 915 CB ASP A 60 1.073 -10.223 -3.508 1.00 0.00 C ATOM 916 CG ASP A 60 1.117 -11.474 -2.653 1.00 0.00 C ATOM 917 OD1 ASP A 60 1.627 -12.506 -3.138 1.00 0.00 O ATOM 918 OD2 ASP A 60 0.645 -11.420 -1.499 1.00 0.00 O ATOM 0 H ASP A 60 1.783 -7.638 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 60 3.213 -10.135 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.266 -9.577 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.841 -10.497 -4.537 1.00 0.00 H new ATOM 923 N LYS A 61 2.991 -9.622 -5.828 1.00 0.00 N ATOM 924 CA LYS A 61 3.254 -9.129 -7.180 1.00 0.00 C ATOM 925 C LYS A 61 2.048 -9.347 -8.099 1.00 0.00 C ATOM 926 O LYS A 61 1.791 -8.536 -8.988 1.00 0.00 O ATOM 927 CB LYS A 61 4.497 -9.813 -7.767 1.00 0.00 C ATOM 928 CG LYS A 61 5.360 -8.889 -8.618 1.00 0.00 C ATOM 929 CD LYS A 61 6.387 -9.669 -9.430 1.00 0.00 C ATOM 930 CE LYS A 61 7.705 -8.914 -9.546 1.00 0.00 C ATOM 931 NZ LYS A 61 7.805 -8.153 -10.824 1.00 0.00 N ATOM 0 H LYS A 61 3.098 -10.631 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 61 3.437 -8.057 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.101 -10.211 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.181 -10.662 -8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.724 -8.314 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.872 -8.173 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.562 -10.637 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.991 -9.864 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.803 -8.226 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.533 -9.619 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.780 -8.203 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.157 -8.565 -11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.548 -7.159 -10.657 1.00 0.00 H new ATOM 945 N GLU A 62 1.312 -10.443 -7.881 1.00 0.00 N ATOM 946 CA GLU A 62 0.135 -10.754 -8.696 1.00 0.00 C ATOM 947 C GLU A 62 -0.905 -9.635 -8.610 1.00 0.00 C ATOM 948 O GLU A 62 -1.250 -9.023 -9.623 1.00 0.00 O ATOM 949 CB GLU A 62 -0.489 -12.084 -8.259 1.00 0.00 C ATOM 950 CG GLU A 62 0.136 -13.304 -8.922 1.00 0.00 C ATOM 951 CD GLU A 62 -0.720 -13.867 -10.041 1.00 0.00 C ATOM 952 OE1 GLU A 62 -0.763 -13.247 -11.125 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.347 -14.927 -9.834 1.00 0.00 O ATOM 0 H GLU A 62 1.511 -11.126 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 62 0.462 -10.842 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.394 -12.181 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.555 -12.066 -8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.115 -13.035 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.299 -14.077 -8.171 1.00 0.00 H new ATOM 960 N ASP A 63 -1.396 -9.367 -7.398 1.00 0.00 N ATOM 961 CA ASP A 63 -2.392 -8.315 -7.188 1.00 0.00 C ATOM 962 C ASP A 63 -1.848 -6.955 -7.626 1.00 0.00 C ATOM 963 O ASP A 63 -2.541 -6.189 -8.295 1.00 0.00 O ATOM 964 CB ASP A 63 -2.816 -8.259 -5.716 1.00 0.00 C ATOM 965 CG ASP A 63 -3.958 -9.207 -5.400 1.00 0.00 C ATOM 966 OD1 ASP A 63 -5.090 -8.950 -5.862 1.00 0.00 O ATOM 967 OD2 ASP A 63 -3.720 -10.205 -4.688 1.00 0.00 O ATOM 0 H ASP A 63 -1.121 -9.862 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.264 -8.553 -7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.961 -8.504 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.115 -7.241 -5.466 1.00 0.00 H new ATOM 972 N LEU A 64 -0.601 -6.665 -7.248 1.00 0.00 N ATOM 973 CA LEU A 64 0.040 -5.400 -7.606 1.00 0.00 C ATOM 974 C LEU A 64 0.088 -5.219 -9.125 1.00 0.00 C ATOM 975 O LEU A 64 -0.227 -4.143 -9.638 1.00 0.00 O ATOM 976 CB LEU A 64 1.457 -5.336 -7.022 1.00 0.00 C ATOM 977 CG LEU A 64 1.867 -3.978 -6.446 1.00 0.00 C ATOM 978 CD1 LEU A 64 3.093 -4.121 -5.555 1.00 0.00 C ATOM 979 CD2 LEU A 64 2.134 -2.986 -7.567 1.00 0.00 C ATOM 0 H LEU A 64 -0.016 -7.290 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.554 -4.590 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.542 -6.086 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.167 -5.610 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 64 1.046 -3.600 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.368 -3.145 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.868 -4.799 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.922 -4.521 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.424 -2.025 -7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.938 -3.360 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.231 -2.860 -8.164 1.00 0.00 H new ATOM 991 N ALA A 65 0.478 -6.279 -9.838 1.00 0.00 N ATOM 992 CA ALA A 65 0.562 -6.238 -11.298 1.00 0.00 C ATOM 993 C ALA A 65 -0.810 -5.991 -11.923 1.00 0.00 C ATOM 994 O ALA A 65 -0.971 -5.084 -12.741 1.00 0.00 O ATOM 995 CB ALA A 65 1.168 -7.530 -11.832 1.00 0.00 C ATOM 0 H ALA A 65 0.740 -7.175 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 65 1.211 -5.407 -11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.224 -7.484 -12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.170 -7.658 -11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.545 -8.374 -11.536 1.00 0.00 H new ATOM 1001 N GLU A 66 -1.799 -6.796 -11.525 1.00 0.00 N ATOM 1002 CA GLU A 66 -3.161 -6.653 -12.043 1.00 0.00 C ATOM 1003 C GLU A 66 -3.718 -5.261 -11.729 1.00 0.00 C ATOM 1004 O GLU A 66 -4.370 -4.643 -12.571 1.00 0.00 O ATOM 1005 CB GLU A 66 -4.074 -7.738 -11.456 1.00 0.00 C ATOM 1006 CG GLU A 66 -5.418 -7.862 -12.162 1.00 0.00 C ATOM 1007 CD GLU A 66 -5.445 -8.983 -13.186 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -5.421 -10.164 -12.778 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -5.493 -8.680 -14.397 1.00 0.00 O ATOM 0 H GLU A 66 -1.682 -7.550 -10.848 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.128 -6.773 -13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.559 -8.698 -11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.247 -7.522 -10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.198 -8.035 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.652 -6.919 -12.656 1.00 0.00 H new ATOM 1016 N TYR A 67 -3.445 -4.771 -10.515 1.00 0.00 N ATOM 1017 CA TYR A 67 -3.908 -3.447 -10.087 1.00 0.00 C ATOM 1018 C TYR A 67 -3.459 -2.355 -11.062 1.00 0.00 C ATOM 1019 O TYR A 67 -4.193 -1.400 -11.310 1.00 0.00 O ATOM 1020 CB TYR A 67 -3.380 -3.131 -8.684 1.00 0.00 C ATOM 1021 CG TYR A 67 -4.211 -2.119 -7.919 1.00 0.00 C ATOM 1022 CD1 TYR A 67 -4.217 -0.775 -8.279 1.00 0.00 C ATOM 1023 CD2 TYR A 67 -4.982 -2.506 -6.829 1.00 0.00 C ATOM 1024 CE1 TYR A 67 -4.965 0.150 -7.575 1.00 0.00 C ATOM 1025 CE2 TYR A 67 -5.734 -1.586 -6.122 1.00 0.00 C ATOM 1026 CZ TYR A 67 -5.721 -0.260 -6.498 1.00 0.00 C ATOM 1027 OH TYR A 67 -6.467 0.657 -5.793 1.00 0.00 O ATOM 0 H TYR A 67 -2.905 -5.273 -9.810 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.998 -3.466 -10.072 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.334 -4.056 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.360 -2.757 -8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.627 -0.449 -9.123 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.994 -3.543 -6.529 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.957 1.190 -7.868 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.329 -1.905 -5.279 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.385 0.327 -5.696 1.00 0.00 H new ATOM 1037 N TYR A 68 -2.252 -2.505 -11.616 1.00 0.00 N ATOM 1038 CA TYR A 68 -1.715 -1.529 -12.567 1.00 0.00 C ATOM 1039 C TYR A 68 -2.674 -1.340 -13.742 1.00 0.00 C ATOM 1040 O TYR A 68 -2.868 -0.222 -14.220 1.00 0.00 O ATOM 1041 CB TYR A 68 -0.333 -1.966 -13.071 1.00 0.00 C ATOM 1042 CG TYR A 68 0.639 -0.818 -13.271 1.00 0.00 C ATOM 1043 CD1 TYR A 68 1.173 -0.133 -12.184 1.00 0.00 C ATOM 1044 CD2 TYR A 68 1.024 -0.421 -14.547 1.00 0.00 C ATOM 1045 CE1 TYR A 68 2.059 0.914 -12.365 1.00 0.00 C ATOM 1046 CE2 TYR A 68 1.909 0.625 -14.734 1.00 0.00 C ATOM 1047 CZ TYR A 68 2.424 1.288 -13.641 1.00 0.00 C ATOM 1048 OH TYR A 68 3.305 2.331 -13.826 1.00 0.00 O ATOM 0 H TYR A 68 -1.631 -3.290 -11.423 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.607 -0.575 -12.051 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.096 -2.673 -12.360 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.453 -2.497 -14.015 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.891 -0.423 -11.183 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.625 -0.939 -15.407 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.463 1.436 -11.510 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.195 0.921 -15.732 1.00 0.00 H new ATOM 0 HH TYR A 68 3.457 2.465 -14.785 1.00 0.00 H new ATOM 1058 N GLU A 69 -3.286 -2.439 -14.189 1.00 0.00 N ATOM 1059 CA GLU A 69 -4.241 -2.393 -15.293 1.00 0.00 C ATOM 1060 C GLU A 69 -5.631 -1.991 -14.791 1.00 0.00 C ATOM 1061 O GLU A 69 -6.356 -1.265 -15.472 1.00 0.00 O ATOM 1062 CB GLU A 69 -4.311 -3.752 -15.999 1.00 0.00 C ATOM 1063 CG GLU A 69 -5.030 -3.709 -17.342 1.00 0.00 C ATOM 1064 CD GLU A 69 -4.357 -4.567 -18.398 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -4.481 -5.807 -18.324 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -3.709 -3.997 -19.302 1.00 0.00 O ATOM 0 H GLU A 69 -3.136 -3.371 -13.802 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.899 -1.643 -16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.298 -4.125 -16.151 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.818 -4.464 -15.348 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.058 -4.045 -17.209 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.074 -2.678 -17.692 1.00 0.00 H new ATOM 1073 N GLU A 70 -5.996 -2.469 -13.596 1.00 0.00 N ATOM 1074 CA GLU A 70 -7.303 -2.160 -13.008 1.00 0.00 C ATOM 1075 C GLU A 70 -7.435 -0.668 -12.676 1.00 0.00 C ATOM 1076 O GLU A 70 -8.512 -0.089 -12.828 1.00 0.00 O ATOM 1077 CB GLU A 70 -7.540 -3.001 -11.746 1.00 0.00 C ATOM 1078 CG GLU A 70 -8.139 -4.374 -12.029 1.00 0.00 C ATOM 1079 CD GLU A 70 -8.959 -4.914 -10.870 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -9.898 -4.218 -10.425 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -8.665 -6.037 -10.410 1.00 0.00 O ATOM 0 H GLU A 70 -5.407 -3.069 -13.019 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.061 -2.409 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.593 -3.128 -11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.204 -2.455 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.770 -4.313 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.336 -5.075 -12.256 1.00 0.00 H new ATOM 1088 N ALA A 71 -6.340 -0.052 -12.222 1.00 0.00 N ATOM 1089 CA ALA A 71 -6.344 1.368 -11.870 1.00 0.00 C ATOM 1090 C ALA A 71 -6.327 2.255 -13.115 1.00 0.00 C ATOM 1091 O ALA A 71 -5.664 1.940 -14.106 1.00 0.00 O ATOM 1092 CB ALA A 71 -5.156 1.697 -10.975 1.00 0.00 C ATOM 0 H ALA A 71 -5.441 -0.515 -12.090 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.267 1.571 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.174 2.757 -10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.214 1.105 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.230 1.464 -11.500 1.00 0.00 H new ATOM 1098 N GLY A 72 -7.054 3.374 -13.050 1.00 0.00 N ATOM 1099 CA GLY A 72 -7.109 4.300 -14.173 1.00 0.00 C ATOM 1100 C GLY A 72 -6.064 5.406 -14.087 1.00 0.00 C ATOM 1101 O GLY A 72 -6.266 6.493 -14.631 1.00 0.00 O ATOM 0 H GLY A 72 -7.605 3.654 -12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.967 3.746 -15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.101 4.749 -14.218 1.00 0.00 H new ATOM 1105 N ILE A 73 -4.948 5.131 -13.407 1.00 0.00 N ATOM 1106 CA ILE A 73 -3.873 6.112 -13.257 1.00 0.00 C ATOM 1107 C ILE A 73 -2.888 6.052 -14.429 1.00 0.00 C ATOM 1108 O ILE A 73 -2.330 7.076 -14.830 1.00 0.00 O ATOM 1109 CB ILE A 73 -3.114 5.915 -11.920 1.00 0.00 C ATOM 1110 CG1 ILE A 73 -2.107 7.050 -11.697 1.00 0.00 C ATOM 1111 CG2 ILE A 73 -2.414 4.560 -11.880 1.00 0.00 C ATOM 1112 CD1 ILE A 73 -2.029 7.518 -10.259 1.00 0.00 C ATOM 0 H ILE A 73 -4.766 4.236 -12.952 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.341 7.096 -13.251 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.845 5.940 -11.112 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.120 6.716 -12.016 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.378 7.894 -12.331 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.890 4.449 -10.931 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.153 3.765 -11.981 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.698 4.496 -12.699 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.297 8.322 -10.177 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.006 7.883 -9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.728 6.687 -9.622 1.00 0.00 H new ATOM 1124 N HIS A 74 -2.681 4.852 -14.976 1.00 0.00 N ATOM 1125 CA HIS A 74 -1.767 4.664 -16.102 1.00 0.00 C ATOM 1126 C HIS A 74 -2.530 4.251 -17.366 1.00 0.00 C ATOM 1127 O HIS A 74 -2.756 3.062 -17.604 1.00 0.00 O ATOM 1128 CB HIS A 74 -0.708 3.610 -15.754 1.00 0.00 C ATOM 1129 CG HIS A 74 0.640 3.888 -16.348 1.00 0.00 C ATOM 1130 ND1 HIS A 74 1.341 5.054 -16.114 1.00 0.00 N ATOM 1131 CD2 HIS A 74 1.420 3.142 -17.167 1.00 0.00 C ATOM 1132 CE1 HIS A 74 2.492 5.011 -16.762 1.00 0.00 C ATOM 1133 NE2 HIS A 74 2.564 3.863 -17.408 1.00 0.00 N ATOM 0 H HIS A 74 -3.135 3.996 -14.656 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.271 5.614 -16.300 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.612 3.549 -14.670 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.052 2.635 -16.098 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.186 2.163 -17.558 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.246 5.784 -16.763 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.343 3.560 -17.992 1.00 0.00 H new ATOM 1142 N PRO A 75 -2.941 5.236 -18.196 1.00 0.00 N ATOM 1143 CA PRO A 75 -3.684 4.973 -19.440 1.00 0.00 C ATOM 1144 C PRO A 75 -2.827 4.278 -20.503 1.00 0.00 C ATOM 1145 O PRO A 75 -1.604 4.435 -20.523 1.00 0.00 O ATOM 1146 CB PRO A 75 -4.092 6.372 -19.915 1.00 0.00 C ATOM 1147 CG PRO A 75 -3.093 7.291 -19.302 1.00 0.00 C ATOM 1148 CD PRO A 75 -2.718 6.677 -17.982 1.00 0.00 C ATOM 0 HA PRO A 75 -4.525 4.300 -19.272 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.076 6.440 -21.003 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.104 6.618 -19.595 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.219 7.400 -19.944 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.513 8.287 -19.163 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.681 6.888 -17.722 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.335 7.062 -17.170 1.00 0.00 H new ATOM 1156 N PRO A 76 -3.460 3.494 -21.404 1.00 0.00 N ATOM 1157 CA PRO A 76 -2.746 2.774 -22.468 1.00 0.00 C ATOM 1158 C PRO A 76 -2.156 3.710 -23.528 1.00 0.00 C ATOM 1159 O PRO A 76 -1.013 3.530 -23.953 1.00 0.00 O ATOM 1160 CB PRO A 76 -3.823 1.873 -23.081 1.00 0.00 C ATOM 1161 CG PRO A 76 -5.116 2.543 -22.764 1.00 0.00 C ATOM 1162 CD PRO A 76 -4.915 3.249 -21.450 1.00 0.00 C ATOM 0 HA PRO A 76 -1.889 2.227 -22.075 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.686 1.771 -24.157 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.785 0.869 -22.658 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.390 3.250 -23.547 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.924 1.815 -22.695 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.480 4.180 -21.405 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.245 2.636 -20.611 1.00 0.00 H new ATOM 1170 N GLU A 77 -2.940 4.706 -23.951 1.00 0.00 N ATOM 1171 CA GLU A 77 -2.492 5.665 -24.959 1.00 0.00 C ATOM 1172 C GLU A 77 -2.199 7.026 -24.324 1.00 0.00 C ATOM 1173 O GLU A 77 -2.842 7.414 -23.346 1.00 0.00 O ATOM 1174 CB GLU A 77 -3.549 5.821 -26.058 1.00 0.00 C ATOM 1175 CG GLU A 77 -3.803 4.545 -26.850 1.00 0.00 C ATOM 1176 CD GLU A 77 -5.277 4.308 -27.124 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -5.905 5.163 -27.786 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -5.803 3.267 -26.678 1.00 0.00 O ATOM 0 H GLU A 77 -3.888 4.867 -23.610 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.573 5.282 -25.402 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.485 6.149 -25.606 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.234 6.607 -26.744 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.266 4.597 -27.797 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.399 3.695 -26.301 1.00 0.00 H new ATOM 1185 N PRO A 78 -1.218 7.773 -24.875 1.00 0.00 N ATOM 1186 CA PRO A 78 -0.841 9.094 -24.357 1.00 0.00 C ATOM 1187 C PRO A 78 -1.905 10.155 -24.633 1.00 0.00 C ATOM 1188 O PRO A 78 -2.193 10.471 -25.789 1.00 0.00 O ATOM 1189 CB PRO A 78 0.452 9.417 -25.112 1.00 0.00 C ATOM 1190 CG PRO A 78 0.361 8.638 -26.378 1.00 0.00 C ATOM 1191 CD PRO A 78 -0.401 7.384 -26.043 1.00 0.00 C ATOM 0 HA PRO A 78 -0.726 9.088 -23.273 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.537 10.485 -25.311 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.330 9.129 -24.533 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.151 9.210 -27.152 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.353 8.400 -26.761 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.023 7.059 -26.877 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.270 6.559 -25.805 1.00 0.00 H new ATOM 1199 N ILE A 79 -2.486 10.701 -23.565 1.00 0.00 N ATOM 1200 CA ILE A 79 -3.519 11.728 -23.697 1.00 0.00 C ATOM 1201 C ILE A 79 -3.280 12.910 -22.743 1.00 0.00 C ATOM 1202 O ILE A 79 -4.215 13.639 -22.405 1.00 0.00 O ATOM 1203 CB ILE A 79 -4.936 11.143 -23.460 1.00 0.00 C ATOM 1204 CG1 ILE A 79 -4.977 10.276 -22.194 1.00 0.00 C ATOM 1205 CG2 ILE A 79 -5.377 10.328 -24.668 1.00 0.00 C ATOM 1206 CD1 ILE A 79 -5.066 11.072 -20.910 1.00 0.00 C ATOM 0 H ILE A 79 -2.260 10.451 -22.602 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.458 12.096 -24.721 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.624 11.976 -23.320 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.833 9.603 -22.253 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.083 9.653 -22.163 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.373 9.923 -24.490 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.398 10.968 -25.550 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.676 9.509 -24.830 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.091 10.390 -20.060 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.197 11.725 -20.826 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.974 11.675 -20.918 1.00 0.00 H new ATOM 1218 N ALA A 80 -2.021 13.105 -22.319 1.00 0.00 N ATOM 1219 CA ALA A 80 -1.671 14.205 -21.414 1.00 0.00 C ATOM 1220 C ALA A 80 -0.303 14.807 -21.758 1.00 0.00 C ATOM 1221 O ALA A 80 0.603 14.097 -22.199 1.00 0.00 O ATOM 1222 CB ALA A 80 -1.682 13.726 -19.969 1.00 0.00 C ATOM 0 H ALA A 80 -1.233 12.516 -22.589 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.421 14.986 -21.539 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.420 14.553 -19.309 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.677 13.360 -19.715 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.957 12.921 -19.847 1.00 0.00 H new ATOM 1228 N ALA A 81 -0.163 16.123 -21.547 1.00 0.00 N ATOM 1229 CA ALA A 81 1.093 16.829 -21.829 1.00 0.00 C ATOM 1230 C ALA A 81 1.313 17.991 -20.852 1.00 0.00 C ATOM 1231 O ALA A 81 0.430 18.321 -20.059 1.00 0.00 O ATOM 1232 CB ALA A 81 1.099 17.336 -23.265 1.00 0.00 C ATOM 0 H ALA A 81 -0.905 16.720 -21.182 1.00 0.00 H new ATOM 0 HA ALA A 81 1.913 16.123 -21.697 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.035 17.858 -23.463 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.002 16.493 -23.949 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.264 18.021 -23.413 1.00 0.00 H new ATOM 1238 N ALA A 82 2.497 18.609 -20.917 1.00 0.00 N ATOM 1239 CA ALA A 82 2.827 19.732 -20.039 1.00 0.00 C ATOM 1240 C ALA A 82 2.085 21.001 -20.455 1.00 0.00 C ATOM 1241 O ALA A 82 2.129 21.403 -21.619 1.00 0.00 O ATOM 1242 CB ALA A 82 4.330 19.979 -20.032 1.00 0.00 C ATOM 0 H ALA A 82 3.239 18.350 -21.567 1.00 0.00 H new ATOM 0 HA ALA A 82 2.507 19.470 -19.031 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.558 20.818 -19.374 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.844 19.087 -19.674 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.666 20.210 -21.043 1.00 0.00 H new ATOM 1248 N ALA A 83 1.405 21.627 -19.493 1.00 0.00 N ATOM 1249 CA ALA A 83 0.653 22.852 -19.754 1.00 0.00 C ATOM 1250 C ALA A 83 0.683 23.788 -18.548 1.00 0.00 C ATOM 1251 O ALA A 83 1.706 23.921 -17.876 1.00 0.00 O ATOM 1252 CB ALA A 83 -0.785 22.519 -20.129 1.00 0.00 C ATOM 0 H ALA A 83 1.361 21.304 -18.526 1.00 0.00 H new ATOM 0 HA ALA A 83 1.127 23.366 -20.590 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.334 23.441 -20.321 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.793 21.899 -21.025 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.259 21.978 -19.310 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -0.861 3.998 14.763 1.00 0.00 ZN