USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 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 61 THR OG1 : rot 180:sc= -0.506 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 141:sc= -0.0255 (180deg=-1.64!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0449 (180deg=-0.16) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 10 THR OG1 : rot -46:sc= 0.353 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0162) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -28:sc= -0.145! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00865 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0642 USER MOD Single : A 66 ASN : amide:sc= -4.62! C(o=-4.6!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.491 12.561 -3.679 1.00 0.00 N ATOM 2 CA MET A 1 11.319 11.264 -2.963 1.00 0.00 C ATOM 3 C MET A 1 10.563 10.267 -3.844 1.00 0.00 C ATOM 4 O MET A 1 9.921 10.638 -4.807 1.00 0.00 O ATOM 5 CB MET A 1 10.502 11.606 -1.717 1.00 0.00 C ATOM 6 CG MET A 1 11.354 12.446 -0.763 1.00 0.00 C ATOM 7 SD MET A 1 11.324 11.702 0.886 1.00 0.00 S ATOM 8 CE MET A 1 9.845 12.552 1.491 1.00 0.00 C ATOM 0 H1 MET A 1 12.493 12.838 -3.660 1.00 0.00 H new ATOM 0 H2 MET A 1 11.179 12.457 -4.666 1.00 0.00 H new ATOM 0 H3 MET A 1 10.921 13.294 -3.211 1.00 0.00 H new ATOM 0 HA MET A 1 12.274 10.802 -2.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.603 12.155 -1.998 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.175 10.692 -1.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.379 12.504 -1.129 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.973 13.466 -0.720 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.248 11.863 2.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.140 13.403 2.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.255 12.903 0.644 1.00 0.00 H new ATOM 20 N LYS A 2 10.633 9.004 -3.522 1.00 0.00 N ATOM 21 CA LYS A 2 9.917 7.985 -4.344 1.00 0.00 C ATOM 22 C LYS A 2 9.308 6.909 -3.442 1.00 0.00 C ATOM 23 O LYS A 2 9.708 6.734 -2.307 1.00 0.00 O ATOM 24 CB LYS A 2 10.991 7.379 -5.248 1.00 0.00 C ATOM 25 CG LYS A 2 11.851 8.495 -5.844 1.00 0.00 C ATOM 26 CD LYS A 2 13.035 7.883 -6.593 1.00 0.00 C ATOM 27 CE LYS A 2 12.909 8.186 -8.087 1.00 0.00 C ATOM 28 NZ LYS A 2 14.266 8.631 -8.504 1.00 0.00 N ATOM 0 H LYS A 2 11.154 8.633 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 2 9.098 8.420 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.615 6.691 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.525 6.800 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.254 9.105 -6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.209 9.154 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.971 8.288 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.063 6.805 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.594 7.303 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.165 8.961 -8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.260 8.858 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.536 9.477 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.952 7.870 -8.323 1.00 0.00 H new ATOM 42 N CYS A 3 8.343 6.183 -3.939 1.00 0.00 N ATOM 43 CA CYS A 3 7.709 5.114 -3.116 1.00 0.00 C ATOM 44 C CYS A 3 7.800 3.773 -3.848 1.00 0.00 C ATOM 45 O CYS A 3 7.164 3.566 -4.861 1.00 0.00 O ATOM 46 CB CYS A 3 6.251 5.549 -2.961 1.00 0.00 C ATOM 47 SG CYS A 3 5.432 4.517 -1.719 1.00 0.00 S ATOM 0 H CYS A 3 7.966 6.285 -4.881 1.00 0.00 H new ATOM 0 HA CYS A 3 8.196 4.984 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.204 6.597 -2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.733 5.464 -3.916 1.00 0.00 H new ATOM 52 N LYS A 4 8.595 2.870 -3.343 1.00 0.00 N ATOM 53 CA LYS A 4 8.745 1.540 -4.007 1.00 0.00 C ATOM 54 C LYS A 4 7.566 0.626 -3.657 1.00 0.00 C ATOM 55 O LYS A 4 7.115 0.582 -2.530 1.00 0.00 O ATOM 56 CB LYS A 4 10.053 0.971 -3.449 1.00 0.00 C ATOM 57 CG LYS A 4 10.104 -0.540 -3.686 1.00 0.00 C ATOM 58 CD LYS A 4 9.539 -1.268 -2.464 1.00 0.00 C ATOM 59 CE LYS A 4 10.213 -2.635 -2.323 1.00 0.00 C ATOM 60 NZ LYS A 4 9.711 -3.179 -1.030 1.00 0.00 N ATOM 0 H LYS A 4 9.150 2.995 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 4 8.762 1.622 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.904 1.453 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.127 1.184 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.529 -0.799 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.131 -0.856 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.706 -0.675 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.461 -1.392 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.954 -3.291 -3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.299 -2.541 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.129 -4.116 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.978 -2.537 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.675 -3.264 -1.068 1.00 0.00 H new ATOM 74 N ILE A 5 7.070 -0.108 -4.617 1.00 0.00 N ATOM 75 CA ILE A 5 5.925 -1.023 -4.342 1.00 0.00 C ATOM 76 C ILE A 5 6.133 -2.366 -5.053 1.00 0.00 C ATOM 77 O ILE A 5 6.868 -2.463 -6.022 1.00 0.00 O ATOM 78 CB ILE A 5 4.695 -0.302 -4.895 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.300 0.831 -3.947 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.535 -1.292 -5.015 1.00 0.00 C ATOM 81 CD1 ILE A 5 5.170 2.058 -4.226 1.00 0.00 C ATOM 0 H ILE A 5 7.408 -0.113 -5.579 1.00 0.00 H new ATOM 0 HA ILE A 5 5.821 -1.243 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 5 4.926 0.109 -5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.247 1.081 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.423 0.513 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.658 -0.779 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.815 -2.101 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.304 -1.703 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.888 2.865 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.218 1.804 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.024 2.381 -5.257 1.00 0.00 H new ATOM 93 N CYS A 6 5.493 -3.400 -4.574 1.00 0.00 N ATOM 94 CA CYS A 6 5.646 -4.743 -5.206 1.00 0.00 C ATOM 95 C CYS A 6 4.517 -5.673 -4.746 1.00 0.00 C ATOM 96 O CYS A 6 3.817 -5.390 -3.795 1.00 0.00 O ATOM 97 CB CYS A 6 7.002 -5.251 -4.717 1.00 0.00 C ATOM 98 SG CYS A 6 8.221 -5.067 -6.040 1.00 0.00 S ATOM 0 H CYS A 6 4.868 -3.372 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 6 5.596 -4.702 -6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.317 -4.691 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.926 -6.297 -4.420 1.00 0.00 H new ATOM 103 N ASN A 7 4.330 -6.775 -5.423 1.00 0.00 N ATOM 104 CA ASN A 7 3.242 -7.723 -5.036 1.00 0.00 C ATOM 105 C ASN A 7 3.348 -8.104 -3.554 1.00 0.00 C ATOM 106 O ASN A 7 4.029 -7.462 -2.781 1.00 0.00 O ATOM 107 CB ASN A 7 3.458 -8.951 -5.921 1.00 0.00 C ATOM 108 CG ASN A 7 2.881 -8.689 -7.313 1.00 0.00 C ATOM 109 OD1 ASN A 7 1.725 -8.340 -7.449 1.00 0.00 O ATOM 110 ND2 ASN A 7 3.643 -8.843 -8.362 1.00 0.00 N ATOM 0 H ASN A 7 4.885 -7.061 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 7 2.254 -7.284 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.522 -9.176 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.977 -9.822 -5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.268 -8.670 -9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.613 -9.136 -8.249 1.00 0.00 H new ATOM 117 N PHE A 8 2.666 -9.145 -3.156 1.00 0.00 N ATOM 118 CA PHE A 8 2.708 -9.571 -1.724 1.00 0.00 C ATOM 119 C PHE A 8 4.084 -10.141 -1.362 1.00 0.00 C ATOM 120 O PHE A 8 4.286 -11.339 -1.346 1.00 0.00 O ATOM 121 CB PHE A 8 1.633 -10.652 -1.606 1.00 0.00 C ATOM 122 CG PHE A 8 1.809 -11.403 -0.308 1.00 0.00 C ATOM 123 CD1 PHE A 8 1.977 -10.698 0.891 1.00 0.00 C ATOM 124 CD2 PHE A 8 1.805 -12.803 -0.302 1.00 0.00 C ATOM 125 CE1 PHE A 8 2.142 -11.394 2.095 1.00 0.00 C ATOM 126 CE2 PHE A 8 1.969 -13.498 0.903 1.00 0.00 C ATOM 127 CZ PHE A 8 2.138 -12.793 2.101 1.00 0.00 C ATOM 0 H PHE A 8 2.080 -9.721 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 8 2.533 -8.736 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.642 -10.199 -1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.702 -11.341 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.979 -9.618 0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.676 -13.347 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.272 -10.851 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.965 -14.578 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.265 -13.329 3.030 1.00 0.00 H new ATOM 137 N ASP A 9 5.026 -9.291 -1.057 1.00 0.00 N ATOM 138 CA ASP A 9 6.386 -9.779 -0.681 1.00 0.00 C ATOM 139 C ASP A 9 6.940 -10.725 -1.750 1.00 0.00 C ATOM 140 O ASP A 9 7.881 -11.459 -1.514 1.00 0.00 O ATOM 141 CB ASP A 9 6.187 -10.522 0.638 1.00 0.00 C ATOM 142 CG ASP A 9 5.469 -9.610 1.634 1.00 0.00 C ATOM 143 OD1 ASP A 9 5.871 -8.465 1.756 1.00 0.00 O ATOM 144 OD2 ASP A 9 4.527 -10.072 2.258 1.00 0.00 O ATOM 0 H ASP A 9 4.914 -8.277 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 9 7.101 -8.961 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.604 -11.428 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.151 -10.832 1.042 1.00 0.00 H new ATOM 149 N THR A 10 6.374 -10.714 -2.925 1.00 0.00 N ATOM 150 CA THR A 10 6.880 -11.608 -4.003 1.00 0.00 C ATOM 151 C THR A 10 7.448 -10.762 -5.142 1.00 0.00 C ATOM 152 O THR A 10 7.559 -11.205 -6.268 1.00 0.00 O ATOM 153 CB THR A 10 5.659 -12.399 -4.472 1.00 0.00 C ATOM 154 OG1 THR A 10 6.075 -13.437 -5.349 1.00 0.00 O ATOM 155 CG2 THR A 10 4.695 -11.465 -5.205 1.00 0.00 C ATOM 0 H THR A 10 5.583 -10.125 -3.185 1.00 0.00 H new ATOM 0 HA THR A 10 7.677 -12.269 -3.662 1.00 0.00 H new ATOM 0 HB THR A 10 5.155 -12.834 -3.609 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.715 -13.079 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.825 -12.030 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.375 -10.670 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.197 -11.028 -6.068 1.00 0.00 H new ATOM 163 N CYS A 11 7.803 -9.540 -4.852 1.00 0.00 N ATOM 164 CA CYS A 11 8.361 -8.649 -5.905 1.00 0.00 C ATOM 165 C CYS A 11 9.384 -7.690 -5.293 1.00 0.00 C ATOM 166 O CYS A 11 9.109 -7.005 -4.329 1.00 0.00 O ATOM 167 CB CYS A 11 7.151 -7.887 -6.449 1.00 0.00 C ATOM 168 SG CYS A 11 7.701 -6.456 -7.415 1.00 0.00 S ATOM 0 H CYS A 11 7.730 -9.120 -3.926 1.00 0.00 H new ATOM 0 HA CYS A 11 8.880 -9.198 -6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.546 -8.546 -7.072 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.518 -7.558 -5.625 1.00 0.00 H new ATOM 173 N ARG A 12 10.564 -7.633 -5.851 1.00 0.00 N ATOM 174 CA ARG A 12 11.602 -6.713 -5.305 1.00 0.00 C ATOM 175 C ARG A 12 11.360 -5.300 -5.837 1.00 0.00 C ATOM 176 O ARG A 12 10.807 -5.129 -6.902 1.00 0.00 O ATOM 177 CB ARG A 12 12.933 -7.266 -5.817 1.00 0.00 C ATOM 178 CG ARG A 12 13.021 -8.759 -5.492 1.00 0.00 C ATOM 179 CD ARG A 12 14.489 -9.190 -5.452 1.00 0.00 C ATOM 180 NE ARG A 12 14.448 -10.678 -5.421 1.00 0.00 N ATOM 181 CZ ARG A 12 14.788 -11.317 -4.334 1.00 0.00 C ATOM 182 NH1 ARG A 12 13.949 -11.405 -3.339 1.00 0.00 N ATOM 183 NH2 ARG A 12 15.968 -11.869 -4.245 1.00 0.00 N ATOM 0 H ARG A 12 10.853 -8.183 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 12 11.586 -6.656 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.014 -7.111 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.763 -6.732 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.546 -8.961 -4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.482 -9.337 -6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.032 -8.827 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.995 -8.790 -4.573 1.00 0.00 H new ATOM 0 HE ARG A 12 14.155 -11.198 -6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.027 -10.975 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.215 -11.904 -2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.623 -11.801 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.235 -12.368 -3.397 1.00 0.00 H new ATOM 197 N ALA A 13 11.762 -4.296 -5.091 1.00 0.00 N ATOM 198 CA ALA A 13 11.557 -2.872 -5.520 1.00 0.00 C ATOM 199 C ALA A 13 11.473 -2.747 -7.045 1.00 0.00 C ATOM 200 O ALA A 13 12.461 -2.529 -7.718 1.00 0.00 O ATOM 201 CB ALA A 13 12.783 -2.126 -4.993 1.00 0.00 C ATOM 0 H ALA A 13 12.230 -4.404 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 13 10.620 -2.470 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.713 -1.073 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.827 -2.219 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.685 -2.554 -5.430 1.00 0.00 H new ATOM 207 N GLY A 14 10.296 -2.886 -7.587 1.00 0.00 N ATOM 208 CA GLY A 14 10.133 -2.778 -9.064 1.00 0.00 C ATOM 209 C GLY A 14 9.041 -1.756 -9.384 1.00 0.00 C ATOM 210 O GLY A 14 9.059 -1.121 -10.419 1.00 0.00 O ATOM 0 H GLY A 14 9.437 -3.070 -7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.074 -2.476 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.871 -3.749 -9.484 1.00 0.00 H new ATOM 214 N GLU A 15 8.090 -1.585 -8.503 1.00 0.00 N ATOM 215 CA GLU A 15 7.008 -0.597 -8.768 1.00 0.00 C ATOM 216 C GLU A 15 7.231 0.656 -7.918 1.00 0.00 C ATOM 217 O GLU A 15 6.485 0.938 -7.002 1.00 0.00 O ATOM 218 CB GLU A 15 5.713 -1.303 -8.360 1.00 0.00 C ATOM 219 CG GLU A 15 4.696 -1.201 -9.498 1.00 0.00 C ATOM 220 CD GLU A 15 3.741 -2.394 -9.440 1.00 0.00 C ATOM 221 OE1 GLU A 15 4.220 -3.515 -9.494 1.00 0.00 O ATOM 222 OE2 GLU A 15 2.546 -2.167 -9.343 1.00 0.00 O ATOM 0 H GLU A 15 8.017 -2.085 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 15 6.981 -0.278 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.914 -2.349 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.309 -0.850 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.136 -0.269 -9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.211 -1.180 -10.459 1.00 0.00 H new ATOM 229 N LEU A 16 8.257 1.408 -8.210 1.00 0.00 N ATOM 230 CA LEU A 16 8.529 2.636 -7.412 1.00 0.00 C ATOM 231 C LEU A 16 8.082 3.884 -8.178 1.00 0.00 C ATOM 232 O LEU A 16 8.286 3.999 -9.371 1.00 0.00 O ATOM 233 CB LEU A 16 10.044 2.643 -7.199 1.00 0.00 C ATOM 234 CG LEU A 16 10.496 4.036 -6.755 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.401 3.914 -5.527 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.271 4.707 -7.892 1.00 0.00 C ATOM 0 H LEU A 16 8.917 1.225 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 16 7.986 2.641 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.319 1.904 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.552 2.362 -8.122 1.00 0.00 H new ATOM 0 HG LEU A 16 9.622 4.637 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.722 4.907 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.851 3.436 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.275 3.312 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.593 5.699 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.144 4.104 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.628 4.796 -8.768 1.00 0.00 H new ATOM 248 N LYS A 17 7.477 4.820 -7.498 1.00 0.00 N ATOM 249 CA LYS A 17 7.018 6.063 -8.183 1.00 0.00 C ATOM 250 C LYS A 17 7.344 7.287 -7.323 1.00 0.00 C ATOM 251 O LYS A 17 8.158 7.224 -6.422 1.00 0.00 O ATOM 252 CB LYS A 17 5.504 5.899 -8.332 1.00 0.00 C ATOM 253 CG LYS A 17 5.190 5.267 -9.690 1.00 0.00 C ATOM 254 CD LYS A 17 4.564 6.317 -10.610 1.00 0.00 C ATOM 255 CE LYS A 17 3.897 5.622 -11.800 1.00 0.00 C ATOM 256 NZ LYS A 17 4.705 6.025 -12.984 1.00 0.00 N ATOM 0 H LYS A 17 7.281 4.778 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 17 7.507 6.210 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.115 5.273 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.012 6.868 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.102 4.872 -10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.508 4.427 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.829 6.905 -10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.329 7.010 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.894 4.539 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.858 5.933 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.309 5.587 -13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.684 7.060 -13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.688 5.710 -12.857 1.00 0.00 H new ATOM 270 N VAL A 18 6.722 8.401 -7.595 1.00 0.00 N ATOM 271 CA VAL A 18 7.003 9.627 -6.797 1.00 0.00 C ATOM 272 C VAL A 18 5.697 10.271 -6.325 1.00 0.00 C ATOM 273 O VAL A 18 4.687 10.219 -6.999 1.00 0.00 O ATOM 274 CB VAL A 18 7.741 10.555 -7.759 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.183 10.074 -7.927 1.00 0.00 C ATOM 276 CG2 VAL A 18 7.040 10.545 -9.121 1.00 0.00 C ATOM 0 H VAL A 18 6.031 8.515 -8.336 1.00 0.00 H new ATOM 0 HA VAL A 18 7.586 9.412 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 18 7.739 11.568 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.710 10.736 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.684 10.082 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.184 9.060 -8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.568 11.208 -9.807 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.041 9.532 -9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.012 10.888 -9.004 1.00 0.00 H new ATOM 286 N CYS A 19 5.711 10.880 -5.171 1.00 0.00 N ATOM 287 CA CYS A 19 4.475 11.533 -4.651 1.00 0.00 C ATOM 288 C CYS A 19 4.776 12.263 -3.340 1.00 0.00 C ATOM 289 O CYS A 19 4.256 13.329 -3.077 1.00 0.00 O ATOM 290 CB CYS A 19 3.489 10.388 -4.411 1.00 0.00 C ATOM 291 SG CYS A 19 2.080 10.998 -3.454 1.00 0.00 S ATOM 0 H CYS A 19 6.527 10.954 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 19 4.077 12.273 -5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.147 9.982 -5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.981 9.576 -3.876 1.00 0.00 H new ATOM 296 N ALA A 20 5.614 11.696 -2.515 1.00 0.00 N ATOM 297 CA ALA A 20 5.951 12.355 -1.221 1.00 0.00 C ATOM 298 C ALA A 20 6.629 13.704 -1.471 1.00 0.00 C ATOM 299 O ALA A 20 7.838 13.819 -1.434 1.00 0.00 O ATOM 300 CB ALA A 20 6.913 11.392 -0.524 1.00 0.00 C ATOM 0 H ALA A 20 6.080 10.804 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 20 5.065 12.554 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.209 11.807 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.419 10.433 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.798 11.249 -1.144 1.00 0.00 H new ATOM 306 N SER A 21 5.859 14.727 -1.723 1.00 0.00 N ATOM 307 CA SER A 21 6.459 16.068 -1.974 1.00 0.00 C ATOM 308 C SER A 21 5.922 17.082 -0.959 1.00 0.00 C ATOM 309 O SER A 21 6.636 17.950 -0.497 1.00 0.00 O ATOM 310 CB SER A 21 6.018 16.444 -3.388 1.00 0.00 C ATOM 311 OG SER A 21 6.566 15.513 -4.312 1.00 0.00 O ATOM 0 H SER A 21 4.840 14.692 -1.766 1.00 0.00 H new ATOM 0 HA SER A 21 7.545 16.059 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.930 16.443 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.351 17.453 -3.629 1.00 0.00 H new ATOM 0 HG SER A 21 6.284 15.749 -5.220 1.00 0.00 H new ATOM 317 N GLY A 22 4.670 16.975 -0.608 1.00 0.00 N ATOM 318 CA GLY A 22 4.088 17.930 0.377 1.00 0.00 C ATOM 319 C GLY A 22 3.242 17.164 1.396 1.00 0.00 C ATOM 320 O GLY A 22 3.741 16.685 2.395 1.00 0.00 O ATOM 0 H GLY A 22 4.025 16.268 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.884 18.474 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.475 18.670 -0.137 1.00 0.00 H new ATOM 324 N GLU A 23 1.965 17.041 1.152 1.00 0.00 N ATOM 325 CA GLU A 23 1.093 16.304 2.112 1.00 0.00 C ATOM 326 C GLU A 23 0.507 15.055 1.446 1.00 0.00 C ATOM 327 O GLU A 23 -0.661 15.007 1.113 1.00 0.00 O ATOM 328 CB GLU A 23 -0.018 17.290 2.477 1.00 0.00 C ATOM 329 CG GLU A 23 -0.693 17.799 1.202 1.00 0.00 C ATOM 330 CD GLU A 23 -0.079 19.142 0.800 1.00 0.00 C ATOM 331 OE1 GLU A 23 0.975 19.129 0.187 1.00 0.00 O ATOM 332 OE2 GLU A 23 -0.676 20.160 1.110 1.00 0.00 O ATOM 0 H GLU A 23 1.489 17.418 0.332 1.00 0.00 H new ATOM 0 HA GLU A 23 1.642 15.966 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.752 16.804 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.395 18.127 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.568 17.074 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.765 17.912 1.365 1.00 0.00 H new ATOM 339 N LYS A 24 1.308 14.044 1.251 1.00 0.00 N ATOM 340 CA LYS A 24 0.799 12.796 0.610 1.00 0.00 C ATOM 341 C LYS A 24 1.580 11.585 1.127 1.00 0.00 C ATOM 342 O LYS A 24 2.781 11.497 0.967 1.00 0.00 O ATOM 343 CB LYS A 24 1.041 12.994 -0.887 1.00 0.00 C ATOM 344 CG LYS A 24 0.194 14.164 -1.391 1.00 0.00 C ATOM 345 CD LYS A 24 0.369 14.307 -2.905 1.00 0.00 C ATOM 346 CE LYS A 24 -0.170 15.668 -3.353 1.00 0.00 C ATOM 347 NZ LYS A 24 0.964 16.614 -3.158 1.00 0.00 N ATOM 0 H LYS A 24 2.295 14.027 1.508 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.253 12.614 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.097 13.189 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.785 12.085 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.856 13.997 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.493 15.085 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.422 14.215 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.161 13.506 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.488 15.643 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.037 15.963 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.593 17.568 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.538 16.305 -2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.554 16.630 -4.014 1.00 0.00 H new ATOM 361 N TYR A 25 0.911 10.652 1.749 1.00 0.00 N ATOM 362 CA TYR A 25 1.622 9.455 2.277 1.00 0.00 C ATOM 363 C TYR A 25 1.285 8.221 1.439 1.00 0.00 C ATOM 364 O TYR A 25 0.182 8.073 0.952 1.00 0.00 O ATOM 365 CB TYR A 25 1.098 9.283 3.702 1.00 0.00 C ATOM 366 CG TYR A 25 1.167 10.603 4.430 1.00 0.00 C ATOM 367 CD1 TYR A 25 2.239 11.472 4.200 1.00 0.00 C ATOM 368 CD2 TYR A 25 0.159 10.957 5.336 1.00 0.00 C ATOM 369 CE1 TYR A 25 2.304 12.698 4.875 1.00 0.00 C ATOM 370 CE2 TYR A 25 0.225 12.182 6.010 1.00 0.00 C ATOM 371 CZ TYR A 25 1.297 13.052 5.780 1.00 0.00 C ATOM 372 OH TYR A 25 1.362 14.259 6.445 1.00 0.00 O ATOM 0 H TYR A 25 -0.096 10.668 1.914 1.00 0.00 H new ATOM 0 HA TYR A 25 2.705 9.575 2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.070 8.921 3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.689 8.534 4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.016 11.198 3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.668 10.286 5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.131 13.370 4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.552 12.456 6.708 1.00 0.00 H new ATOM 0 HH TYR A 25 0.585 14.350 7.035 1.00 0.00 H new ATOM 382 N CYS A 26 2.221 7.324 1.278 1.00 0.00 N ATOM 383 CA CYS A 26 1.936 6.096 0.484 1.00 0.00 C ATOM 384 C CYS A 26 1.030 5.173 1.300 1.00 0.00 C ATOM 385 O CYS A 26 1.366 4.769 2.398 1.00 0.00 O ATOM 386 CB CYS A 26 3.299 5.446 0.233 1.00 0.00 C ATOM 387 SG CYS A 26 3.583 5.319 -1.552 1.00 0.00 S ATOM 0 H CYS A 26 3.165 7.388 1.660 1.00 0.00 H new ATOM 0 HA CYS A 26 1.427 6.308 -0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.088 6.038 0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.332 4.457 0.689 1.00 0.00 H new ATOM 392 N PHE A 27 -0.124 4.848 0.785 1.00 0.00 N ATOM 393 CA PHE A 27 -1.053 3.965 1.545 1.00 0.00 C ATOM 394 C PHE A 27 -0.929 2.515 1.077 1.00 0.00 C ATOM 395 O PHE A 27 -0.970 2.222 -0.102 1.00 0.00 O ATOM 396 CB PHE A 27 -2.453 4.511 1.253 1.00 0.00 C ATOM 397 CG PHE A 27 -2.798 4.290 -0.200 1.00 0.00 C ATOM 398 CD1 PHE A 27 -3.337 3.066 -0.614 1.00 0.00 C ATOM 399 CD2 PHE A 27 -2.583 5.311 -1.135 1.00 0.00 C ATOM 400 CE1 PHE A 27 -3.662 2.862 -1.961 1.00 0.00 C ATOM 401 CE2 PHE A 27 -2.907 5.107 -2.482 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.447 3.883 -2.895 1.00 0.00 C ATOM 0 H PHE A 27 -0.463 5.155 -0.127 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.830 3.964 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.186 4.015 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.494 5.575 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.502 2.278 0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.167 6.256 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.078 1.918 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.740 5.894 -3.203 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.698 3.726 -3.934 1.00 0.00 H new ATOM 412 N LYS A 28 -0.785 1.603 2.000 1.00 0.00 N ATOM 413 CA LYS A 28 -0.668 0.167 1.623 1.00 0.00 C ATOM 414 C LYS A 28 -1.944 -0.573 2.029 1.00 0.00 C ATOM 415 O LYS A 28 -2.253 -0.700 3.197 1.00 0.00 O ATOM 416 CB LYS A 28 0.532 -0.355 2.414 1.00 0.00 C ATOM 417 CG LYS A 28 1.008 -1.675 1.807 1.00 0.00 C ATOM 418 CD LYS A 28 0.282 -2.840 2.484 1.00 0.00 C ATOM 419 CE LYS A 28 1.305 -3.869 2.967 1.00 0.00 C ATOM 420 NZ LYS A 28 1.679 -3.424 4.339 1.00 0.00 N ATOM 0 H LYS A 28 -0.743 1.792 3.001 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.536 0.023 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.339 0.377 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.257 -0.501 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.813 -1.685 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.085 -1.779 1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.307 -2.475 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.414 -3.304 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.880 -4.873 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.175 -3.899 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.379 -4.081 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.087 -2.468 4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.832 -3.412 4.943 1.00 0.00 H new ATOM 434 N GLU A 29 -2.694 -1.052 1.074 1.00 0.00 N ATOM 435 CA GLU A 29 -3.954 -1.770 1.414 1.00 0.00 C ATOM 436 C GLU A 29 -3.832 -3.259 1.076 1.00 0.00 C ATOM 437 O GLU A 29 -3.330 -3.630 0.035 1.00 0.00 O ATOM 438 CB GLU A 29 -5.029 -1.112 0.549 1.00 0.00 C ATOM 439 CG GLU A 29 -6.031 -0.383 1.446 1.00 0.00 C ATOM 440 CD GLU A 29 -7.449 -0.842 1.105 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.594 -1.968 0.659 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.366 -0.061 1.296 1.00 0.00 O ATOM 0 H GLU A 29 -2.490 -0.977 0.077 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.187 -1.708 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.571 -0.410 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.541 -1.866 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.813 -0.588 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.943 0.695 1.307 1.00 0.00 H new ATOM 449 N SER A 30 -4.290 -4.111 1.951 1.00 0.00 N ATOM 450 CA SER A 30 -4.206 -5.576 1.684 1.00 0.00 C ATOM 451 C SER A 30 -5.595 -6.209 1.798 1.00 0.00 C ATOM 452 O SER A 30 -6.182 -6.255 2.861 1.00 0.00 O ATOM 453 CB SER A 30 -3.274 -6.123 2.766 1.00 0.00 C ATOM 454 OG SER A 30 -3.645 -7.461 3.074 1.00 0.00 O ATOM 0 H SER A 30 -4.719 -3.857 2.841 1.00 0.00 H new ATOM 0 HA SER A 30 -3.837 -5.796 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.240 -6.090 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.332 -5.502 3.660 1.00 0.00 H new ATOM 0 HG SER A 30 -3.048 -7.815 3.766 1.00 0.00 H new ATOM 460 N TRP A 31 -6.126 -6.693 0.708 1.00 0.00 N ATOM 461 CA TRP A 31 -7.478 -7.319 0.753 1.00 0.00 C ATOM 462 C TRP A 31 -7.357 -8.820 1.034 1.00 0.00 C ATOM 463 O TRP A 31 -6.779 -9.560 0.264 1.00 0.00 O ATOM 464 CB TRP A 31 -8.074 -7.077 -0.634 1.00 0.00 C ATOM 465 CG TRP A 31 -9.343 -6.299 -0.501 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.440 -6.713 0.176 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.669 -4.984 -1.042 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.416 -5.737 0.084 1.00 0.00 N ATOM 469 CE2 TRP A 31 -10.989 -4.653 -0.656 1.00 0.00 C ATOM 470 CE3 TRP A 31 -8.954 -4.058 -1.823 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -11.580 -3.445 -1.030 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -9.546 -2.841 -2.201 1.00 0.00 C ATOM 473 CH2 TRP A 31 -10.856 -2.536 -1.805 1.00 0.00 C ATOM 0 H TRP A 31 -5.683 -6.682 -0.211 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.102 -6.899 1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.364 -6.532 -1.257 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.268 -8.028 -1.129 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.537 -7.651 0.702 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.339 -5.810 0.511 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -7.945 -4.284 -2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -12.589 -3.215 -0.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.989 -2.136 -2.800 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -11.305 -1.599 -2.099 1.00 0.00 H new ATOM 484 N ARG A 32 -7.897 -9.271 2.134 1.00 0.00 N ATOM 485 CA ARG A 32 -7.810 -10.722 2.465 1.00 0.00 C ATOM 486 C ARG A 32 -9.015 -11.471 1.891 1.00 0.00 C ATOM 487 O ARG A 32 -10.006 -11.683 2.563 1.00 0.00 O ATOM 488 CB ARG A 32 -7.821 -10.779 3.993 1.00 0.00 C ATOM 489 CG ARG A 32 -6.459 -11.262 4.495 1.00 0.00 C ATOM 490 CD ARG A 32 -6.562 -11.633 5.976 1.00 0.00 C ATOM 491 NE ARG A 32 -6.206 -10.387 6.709 1.00 0.00 N ATOM 492 CZ ARG A 32 -6.775 -10.116 7.851 1.00 0.00 C ATOM 493 NH1 ARG A 32 -8.048 -9.830 7.895 1.00 0.00 N ATOM 494 NH2 ARG A 32 -6.071 -10.133 8.950 1.00 0.00 N ATOM 0 H ARG A 32 -8.394 -8.698 2.817 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.919 -11.189 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.043 -9.794 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.607 -11.452 4.337 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.131 -12.125 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.711 -10.482 4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.568 -11.967 6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.882 -12.447 6.227 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.517 -9.745 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.598 -9.818 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.493 -9.618 8.788 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.077 -10.358 8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.515 -9.921 9.843 1.00 0.00 H new ATOM 508 N GLU A 33 -8.940 -11.875 0.652 1.00 0.00 N ATOM 509 CA GLU A 33 -10.080 -12.611 0.036 1.00 0.00 C ATOM 510 C GLU A 33 -10.330 -13.921 0.789 1.00 0.00 C ATOM 511 O GLU A 33 -9.409 -14.624 1.153 1.00 0.00 O ATOM 512 CB GLU A 33 -9.639 -12.895 -1.400 1.00 0.00 C ATOM 513 CG GLU A 33 -10.371 -11.950 -2.355 1.00 0.00 C ATOM 514 CD GLU A 33 -9.350 -11.120 -3.137 1.00 0.00 C ATOM 515 OE1 GLU A 33 -8.229 -11.002 -2.669 1.00 0.00 O ATOM 516 OE2 GLU A 33 -9.706 -10.616 -4.189 1.00 0.00 O ATOM 0 H GLU A 33 -8.138 -11.727 0.040 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.008 -12.040 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.561 -12.761 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.855 -13.931 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.993 -12.522 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.036 -11.293 -1.794 1.00 0.00 H new ATOM 523 N ALA A 34 -11.570 -14.254 1.023 1.00 0.00 N ATOM 524 CA ALA A 34 -11.878 -15.519 1.750 1.00 0.00 C ATOM 525 C ALA A 34 -11.118 -16.689 1.122 1.00 0.00 C ATOM 526 O ALA A 34 -10.726 -17.620 1.797 1.00 0.00 O ATOM 527 CB ALA A 34 -13.386 -15.709 1.591 1.00 0.00 C ATOM 0 H ALA A 34 -12.383 -13.705 0.743 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.581 -15.476 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.693 -16.622 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.908 -14.857 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.634 -15.783 0.532 1.00 0.00 H new ATOM 533 N ARG A 35 -10.907 -16.650 -0.165 1.00 0.00 N ATOM 534 CA ARG A 35 -10.172 -17.761 -0.835 1.00 0.00 C ATOM 535 C ARG A 35 -8.928 -17.220 -1.545 1.00 0.00 C ATOM 536 O ARG A 35 -8.551 -17.688 -2.601 1.00 0.00 O ATOM 537 CB ARG A 35 -11.162 -18.335 -1.849 1.00 0.00 C ATOM 538 CG ARG A 35 -12.146 -19.263 -1.134 1.00 0.00 C ATOM 539 CD ARG A 35 -13.579 -18.796 -1.408 1.00 0.00 C ATOM 540 NE ARG A 35 -14.384 -20.046 -1.479 1.00 0.00 N ATOM 541 CZ ARG A 35 -15.113 -20.295 -2.532 1.00 0.00 C ATOM 542 NH1 ARG A 35 -14.545 -20.690 -3.638 1.00 0.00 N ATOM 543 NH2 ARG A 35 -16.408 -20.150 -2.480 1.00 0.00 N ATOM 0 H ARG A 35 -11.212 -15.897 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.830 -18.516 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.702 -17.527 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.627 -18.883 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.013 -20.288 -1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.950 -19.262 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.939 -18.139 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.640 -18.234 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.366 -20.709 -0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.532 -20.804 -3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.114 -20.885 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.852 -19.841 -1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.977 -20.345 -3.304 1.00 0.00 H new ATOM 557 N GLY A 36 -8.290 -16.234 -0.973 1.00 0.00 N ATOM 558 CA GLY A 36 -7.073 -15.663 -1.615 1.00 0.00 C ATOM 559 C GLY A 36 -6.751 -14.307 -0.982 1.00 0.00 C ATOM 560 O GLY A 36 -7.297 -13.946 0.041 1.00 0.00 O ATOM 0 H GLY A 36 -8.559 -15.800 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.230 -16.343 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.235 -15.547 -2.687 1.00 0.00 H new ATOM 564 N THR A 37 -5.868 -13.556 -1.581 1.00 0.00 N ATOM 565 CA THR A 37 -5.515 -12.225 -1.009 1.00 0.00 C ATOM 566 C THR A 37 -4.930 -11.316 -2.094 1.00 0.00 C ATOM 567 O THR A 37 -4.323 -11.774 -3.042 1.00 0.00 O ATOM 568 CB THR A 37 -4.466 -12.523 0.064 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.943 -13.553 0.917 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.199 -11.258 0.884 1.00 0.00 C ATOM 0 H THR A 37 -5.377 -13.805 -2.439 1.00 0.00 H new ATOM 0 HA THR A 37 -6.384 -11.709 -0.601 1.00 0.00 H new ATOM 0 HB THR A 37 -3.540 -12.846 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.922 -13.529 0.943 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.452 -11.471 1.648 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.832 -10.469 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.123 -10.932 1.361 1.00 0.00 H new ATOM 578 N ARG A 38 -5.107 -10.030 -1.960 1.00 0.00 N ATOM 579 CA ARG A 38 -4.562 -9.088 -2.980 1.00 0.00 C ATOM 580 C ARG A 38 -3.961 -7.860 -2.292 1.00 0.00 C ATOM 581 O ARG A 38 -4.619 -7.183 -1.526 1.00 0.00 O ATOM 582 CB ARG A 38 -5.766 -8.688 -3.834 1.00 0.00 C ATOM 583 CG ARG A 38 -5.709 -9.419 -5.176 1.00 0.00 C ATOM 584 CD ARG A 38 -4.892 -8.595 -6.175 1.00 0.00 C ATOM 585 NE ARG A 38 -5.892 -7.759 -6.895 1.00 0.00 N ATOM 586 CZ ARG A 38 -6.238 -6.596 -6.416 1.00 0.00 C ATOM 587 NH1 ARG A 38 -5.563 -5.528 -6.746 1.00 0.00 N ATOM 588 NH2 ARG A 38 -7.259 -6.498 -5.609 1.00 0.00 N ATOM 0 H ARG A 38 -5.606 -9.590 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.770 -9.538 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.692 -8.934 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.768 -7.610 -3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.259 -10.403 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.717 -9.578 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.154 -7.976 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.346 -9.239 -6.865 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.307 -8.096 -7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.766 -5.603 -7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.833 -4.618 -6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.788 -7.332 -5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.528 -5.588 -5.235 1.00 0.00 H new ATOM 602 N ILE A 39 -2.717 -7.568 -2.554 1.00 0.00 N ATOM 603 CA ILE A 39 -2.080 -6.384 -1.909 1.00 0.00 C ATOM 604 C ILE A 39 -1.960 -5.231 -2.912 1.00 0.00 C ATOM 605 O ILE A 39 -1.478 -5.402 -4.015 1.00 0.00 O ATOM 606 CB ILE A 39 -0.698 -6.868 -1.470 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.107 -5.875 -0.466 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.224 -6.971 -2.687 1.00 0.00 C ATOM 609 CD1 ILE A 39 1.332 -6.277 -0.134 1.00 0.00 C ATOM 0 H ILE A 39 -2.115 -8.096 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.663 -6.007 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.790 -7.849 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.127 -4.867 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.710 -5.858 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.208 -7.316 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.195 -7.678 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.317 -5.992 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.752 -5.569 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.340 -7.277 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.931 -6.271 -1.045 1.00 0.00 H new ATOM 621 N GLU A 40 -2.393 -4.060 -2.535 1.00 0.00 N ATOM 622 CA GLU A 40 -2.305 -2.895 -3.462 1.00 0.00 C ATOM 623 C GLU A 40 -1.697 -1.690 -2.738 1.00 0.00 C ATOM 624 O GLU A 40 -1.952 -1.463 -1.572 1.00 0.00 O ATOM 625 CB GLU A 40 -3.749 -2.602 -3.868 1.00 0.00 C ATOM 626 CG GLU A 40 -3.761 -1.674 -5.086 1.00 0.00 C ATOM 627 CD GLU A 40 -5.118 -1.766 -5.786 1.00 0.00 C ATOM 628 OE1 GLU A 40 -6.106 -1.953 -5.095 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.145 -1.650 -7.000 1.00 0.00 O ATOM 0 H GLU A 40 -2.805 -3.858 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.673 -3.101 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.268 -3.532 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.284 -2.138 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.569 -0.647 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.965 -1.952 -5.776 1.00 0.00 H new ATOM 636 N ARG A 41 -0.897 -0.917 -3.418 1.00 0.00 N ATOM 637 CA ARG A 41 -0.277 0.271 -2.765 1.00 0.00 C ATOM 638 C ARG A 41 -0.520 1.524 -3.609 1.00 0.00 C ATOM 639 O ARG A 41 -1.015 1.451 -4.717 1.00 0.00 O ATOM 640 CB ARG A 41 1.216 -0.047 -2.693 1.00 0.00 C ATOM 641 CG ARG A 41 1.533 -0.715 -1.353 1.00 0.00 C ATOM 642 CD ARG A 41 2.872 -1.449 -1.452 1.00 0.00 C ATOM 643 NE ARG A 41 3.457 -1.367 -0.085 1.00 0.00 N ATOM 644 CZ ARG A 41 4.564 -2.001 0.189 1.00 0.00 C ATOM 645 NH1 ARG A 41 4.609 -3.303 0.106 1.00 0.00 N ATOM 646 NH2 ARG A 41 5.627 -1.334 0.546 1.00 0.00 N ATOM 0 H ARG A 41 -0.645 -1.056 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.698 0.466 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.498 -0.705 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.799 0.868 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.574 0.034 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.741 -1.415 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.733 -2.485 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.525 -0.982 -2.190 1.00 0.00 H new ATOM 0 HE ARG A 41 2.993 -0.816 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.779 -3.825 -0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.475 -3.798 0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.593 -0.317 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.492 -1.830 0.760 1.00 0.00 H new ATOM 660 N GLY A 42 -0.178 2.673 -3.094 1.00 0.00 N ATOM 661 CA GLY A 42 -0.390 3.929 -3.867 1.00 0.00 C ATOM 662 C GLY A 42 -0.067 5.134 -2.982 1.00 0.00 C ATOM 663 O GLY A 42 0.641 5.023 -2.002 1.00 0.00 O ATOM 0 H GLY A 42 0.239 2.796 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.245 3.935 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.422 3.985 -4.214 1.00 0.00 H new ATOM 667 N CYS A 43 -0.581 6.284 -3.321 1.00 0.00 N ATOM 668 CA CYS A 43 -0.302 7.496 -2.497 1.00 0.00 C ATOM 669 C CYS A 43 -1.597 8.275 -2.246 1.00 0.00 C ATOM 670 O CYS A 43 -2.347 8.559 -3.158 1.00 0.00 O ATOM 671 CB CYS A 43 0.669 8.327 -3.334 1.00 0.00 C ATOM 672 SG CYS A 43 1.590 9.450 -2.254 1.00 0.00 S ATOM 0 H CYS A 43 -1.181 6.438 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 43 0.112 7.246 -1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.358 7.672 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.122 8.896 -4.086 1.00 0.00 H new ATOM 677 N ALA A 44 -1.863 8.623 -1.016 1.00 0.00 N ATOM 678 CA ALA A 44 -3.107 9.386 -0.710 1.00 0.00 C ATOM 679 C ALA A 44 -2.969 10.120 0.626 1.00 0.00 C ATOM 680 O ALA A 44 -1.896 10.205 1.193 1.00 0.00 O ATOM 681 CB ALA A 44 -4.212 8.332 -0.627 1.00 0.00 C ATOM 0 H ALA A 44 -1.273 8.412 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.319 10.142 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.162 8.818 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.287 7.808 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.975 7.618 0.162 1.00 0.00 H new ATOM 687 N ALA A 45 -4.049 10.652 1.132 1.00 0.00 N ATOM 688 CA ALA A 45 -3.984 11.384 2.430 1.00 0.00 C ATOM 689 C ALA A 45 -5.040 10.847 3.404 1.00 0.00 C ATOM 690 O ALA A 45 -4.941 11.032 4.602 1.00 0.00 O ATOM 691 CB ALA A 45 -4.275 12.842 2.075 1.00 0.00 C ATOM 0 H ALA A 45 -4.973 10.611 0.703 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.017 11.266 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.246 13.450 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.524 13.202 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.263 12.916 1.620 1.00 0.00 H new ATOM 697 N THR A 46 -6.050 10.186 2.905 1.00 0.00 N ATOM 698 CA THR A 46 -7.104 9.643 3.811 1.00 0.00 C ATOM 699 C THR A 46 -6.981 8.120 3.913 1.00 0.00 C ATOM 700 O THR A 46 -7.006 7.417 2.922 1.00 0.00 O ATOM 701 CB THR A 46 -8.430 10.030 3.154 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.303 9.936 1.742 1.00 0.00 O ATOM 703 CG2 THR A 46 -8.793 11.465 3.542 1.00 0.00 C ATOM 0 H THR A 46 -6.191 9.999 1.912 1.00 0.00 H new ATOM 0 HA THR A 46 -7.020 10.037 4.824 1.00 0.00 H new ATOM 0 HB THR A 46 -9.215 9.354 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.153 10.182 1.320 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.738 11.741 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.891 11.535 4.625 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.009 12.143 3.204 1.00 0.00 H new ATOM 711 N CYS A 47 -6.844 7.606 5.104 1.00 0.00 N ATOM 712 CA CYS A 47 -6.713 6.131 5.271 1.00 0.00 C ATOM 713 C CYS A 47 -7.998 5.544 5.862 1.00 0.00 C ATOM 714 O CYS A 47 -8.274 5.709 7.033 1.00 0.00 O ATOM 715 CB CYS A 47 -5.550 5.952 6.244 1.00 0.00 C ATOM 716 SG CYS A 47 -4.142 6.948 5.694 1.00 0.00 S ATOM 0 H CYS A 47 -6.817 8.144 5.970 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.541 5.622 4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.852 6.253 7.247 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.266 4.901 6.298 1.00 0.00 H new ATOM 721 N PRO A 48 -8.741 4.869 5.027 1.00 0.00 N ATOM 722 CA PRO A 48 -10.008 4.242 5.472 1.00 0.00 C ATOM 723 C PRO A 48 -9.713 2.986 6.296 1.00 0.00 C ATOM 724 O PRO A 48 -8.593 2.750 6.703 1.00 0.00 O ATOM 725 CB PRO A 48 -10.707 3.881 4.164 1.00 0.00 C ATOM 726 CG PRO A 48 -9.606 3.739 3.160 1.00 0.00 C ATOM 727 CD PRO A 48 -8.474 4.631 3.604 1.00 0.00 C ATOM 0 HA PRO A 48 -10.612 4.891 6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.273 2.955 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.413 4.656 3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.276 2.702 3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.953 4.024 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.507 4.151 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.457 5.564 3.040 1.00 0.00 H new ATOM 735 N LYS A 49 -10.706 2.176 6.542 1.00 0.00 N ATOM 736 CA LYS A 49 -10.473 0.936 7.337 1.00 0.00 C ATOM 737 C LYS A 49 -10.922 -0.293 6.542 1.00 0.00 C ATOM 738 O LYS A 49 -10.975 -0.273 5.329 1.00 0.00 O ATOM 739 CB LYS A 49 -11.325 1.100 8.597 1.00 0.00 C ATOM 740 CG LYS A 49 -12.807 0.992 8.229 1.00 0.00 C ATOM 741 CD LYS A 49 -13.655 1.063 9.500 1.00 0.00 C ATOM 742 CE LYS A 49 -14.686 -0.067 9.490 1.00 0.00 C ATOM 743 NZ LYS A 49 -15.991 0.606 9.235 1.00 0.00 N ATOM 0 H LYS A 49 -11.666 2.318 6.228 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.419 0.794 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.064 0.334 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.124 2.065 9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.083 1.798 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.995 0.055 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.017 0.980 10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.158 2.028 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.461 -0.800 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.696 -0.601 10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.750 -0.105 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.181 1.293 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.954 1.100 8.321 1.00 0.00 H new ATOM 757 N GLY A 50 -11.245 -1.363 7.217 1.00 0.00 N ATOM 758 CA GLY A 50 -11.690 -2.590 6.498 1.00 0.00 C ATOM 759 C GLY A 50 -12.868 -3.221 7.242 1.00 0.00 C ATOM 760 O GLY A 50 -13.621 -2.547 7.917 1.00 0.00 O ATOM 0 H GLY A 50 -11.220 -1.440 8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.983 -2.340 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.867 -3.302 6.428 1.00 0.00 H new ATOM 764 N SER A 51 -13.033 -4.510 7.126 1.00 0.00 N ATOM 765 CA SER A 51 -14.162 -5.185 7.826 1.00 0.00 C ATOM 766 C SER A 51 -13.893 -6.688 7.932 1.00 0.00 C ATOM 767 O SER A 51 -12.795 -7.151 7.694 1.00 0.00 O ATOM 768 CB SER A 51 -15.388 -4.919 6.953 1.00 0.00 C ATOM 769 OG SER A 51 -15.171 -5.466 5.659 1.00 0.00 O ATOM 0 H SER A 51 -12.434 -5.126 6.576 1.00 0.00 H new ATOM 0 HA SER A 51 -14.299 -4.814 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.274 -5.365 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 51 -15.572 -3.847 6.881 1.00 0.00 H new ATOM 0 HG SER A 51 -15.956 -5.299 5.097 1.00 0.00 H new ATOM 775 N VAL A 52 -14.887 -7.456 8.286 1.00 0.00 N ATOM 776 CA VAL A 52 -14.686 -8.927 8.405 1.00 0.00 C ATOM 777 C VAL A 52 -14.055 -9.480 7.123 1.00 0.00 C ATOM 778 O VAL A 52 -13.400 -10.504 7.133 1.00 0.00 O ATOM 779 CB VAL A 52 -16.087 -9.505 8.604 1.00 0.00 C ATOM 780 CG1 VAL A 52 -16.902 -9.319 7.323 1.00 0.00 C ATOM 781 CG2 VAL A 52 -15.981 -10.996 8.927 1.00 0.00 C ATOM 0 H VAL A 52 -15.829 -7.128 8.498 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.018 -9.187 9.226 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.580 -8.988 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.901 -9.731 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.977 -8.257 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.409 -9.837 6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.980 -11.409 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.488 -11.513 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.400 -11.130 9.839 1.00 0.00 H new ATOM 791 N TYR A 53 -14.248 -8.812 6.019 1.00 0.00 N ATOM 792 CA TYR A 53 -13.660 -9.300 4.738 1.00 0.00 C ATOM 793 C TYR A 53 -12.136 -9.378 4.851 1.00 0.00 C ATOM 794 O TYR A 53 -11.516 -10.313 4.385 1.00 0.00 O ATOM 795 CB TYR A 53 -14.066 -8.260 3.693 1.00 0.00 C ATOM 796 CG TYR A 53 -15.314 -8.719 2.983 1.00 0.00 C ATOM 797 CD1 TYR A 53 -16.477 -8.991 3.714 1.00 0.00 C ATOM 798 CD2 TYR A 53 -15.313 -8.873 1.591 1.00 0.00 C ATOM 799 CE1 TYR A 53 -17.636 -9.416 3.054 1.00 0.00 C ATOM 800 CE2 TYR A 53 -16.471 -9.299 0.932 1.00 0.00 C ATOM 801 CZ TYR A 53 -17.633 -9.569 1.663 1.00 0.00 C ATOM 802 OH TYR A 53 -18.776 -9.988 1.013 1.00 0.00 O ATOM 0 H TYR A 53 -14.787 -7.949 5.948 1.00 0.00 H new ATOM 0 HA TYR A 53 -14.011 -10.299 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -14.241 -7.297 4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -13.259 -8.116 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -16.480 -8.873 4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -14.417 -8.663 1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -18.533 -9.626 3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -16.468 -9.420 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 53 -18.604 -10.041 0.050 1.00 0.00 H new ATOM 812 N GLY A 54 -11.527 -8.400 5.463 1.00 0.00 N ATOM 813 CA GLY A 54 -10.043 -8.415 5.603 1.00 0.00 C ATOM 814 C GLY A 54 -9.450 -7.240 4.826 1.00 0.00 C ATOM 815 O GLY A 54 -8.604 -7.410 3.971 1.00 0.00 O ATOM 0 H GLY A 54 -11.993 -7.590 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.765 -8.348 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.640 -9.355 5.226 1.00 0.00 H new ATOM 819 N LEU A 55 -9.891 -6.046 5.115 1.00 0.00 N ATOM 820 CA LEU A 55 -9.358 -4.859 4.392 1.00 0.00 C ATOM 821 C LEU A 55 -8.322 -4.133 5.254 1.00 0.00 C ATOM 822 O LEU A 55 -8.659 -3.336 6.107 1.00 0.00 O ATOM 823 CB LEU A 55 -10.574 -3.963 4.151 1.00 0.00 C ATOM 824 CG LEU A 55 -10.842 -3.856 2.649 1.00 0.00 C ATOM 825 CD1 LEU A 55 -12.273 -4.308 2.352 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.664 -2.404 2.203 1.00 0.00 C ATOM 0 H LEU A 55 -10.598 -5.842 5.821 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.861 -5.133 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.447 -4.373 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.398 -2.973 4.571 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.141 -4.492 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.464 -4.232 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.401 -5.342 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.975 -3.672 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.855 -2.326 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.366 -1.769 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.645 -2.081 2.414 1.00 0.00 H new ATOM 838 N TYR A 56 -7.063 -4.397 5.035 1.00 0.00 N ATOM 839 CA TYR A 56 -6.009 -3.717 5.841 1.00 0.00 C ATOM 840 C TYR A 56 -5.522 -2.460 5.113 1.00 0.00 C ATOM 841 O TYR A 56 -5.507 -2.403 3.901 1.00 0.00 O ATOM 842 CB TYR A 56 -4.880 -4.740 5.962 1.00 0.00 C ATOM 843 CG TYR A 56 -3.725 -4.130 6.720 1.00 0.00 C ATOM 844 CD1 TYR A 56 -2.932 -3.147 6.116 1.00 0.00 C ATOM 845 CD2 TYR A 56 -3.449 -4.548 8.027 1.00 0.00 C ATOM 846 CE1 TYR A 56 -1.863 -2.581 6.822 1.00 0.00 C ATOM 847 CE2 TYR A 56 -2.381 -3.981 8.732 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.587 -2.998 8.130 1.00 0.00 C ATOM 849 OH TYR A 56 -0.534 -2.439 8.824 1.00 0.00 O ATOM 0 H TYR A 56 -6.719 -5.053 4.334 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.374 -3.399 6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -5.237 -5.631 6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.553 -5.055 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.144 -2.826 5.107 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.060 -5.308 8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.251 -1.822 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.169 -4.302 9.741 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.482 -2.839 9.717 1.00 0.00 H new ATOM 859 N VAL A 57 -5.127 -1.453 5.844 1.00 0.00 N ATOM 860 CA VAL A 57 -4.644 -0.204 5.188 1.00 0.00 C ATOM 861 C VAL A 57 -3.631 0.510 6.087 1.00 0.00 C ATOM 862 O VAL A 57 -3.852 0.688 7.269 1.00 0.00 O ATOM 863 CB VAL A 57 -5.894 0.656 5.002 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.582 0.855 6.354 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.494 2.018 4.430 1.00 0.00 C ATOM 0 H VAL A 57 -5.118 -1.441 6.864 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.142 -0.404 4.241 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.579 0.158 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.473 1.468 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.866 -0.114 6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.898 1.353 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.384 2.632 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.810 2.515 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.002 1.878 3.467 1.00 0.00 H new ATOM 875 N LEU A 58 -2.521 0.919 5.536 1.00 0.00 N ATOM 876 CA LEU A 58 -1.494 1.619 6.362 1.00 0.00 C ATOM 877 C LEU A 58 -0.801 2.706 5.535 1.00 0.00 C ATOM 878 O LEU A 58 -0.158 2.428 4.543 1.00 0.00 O ATOM 879 CB LEU A 58 -0.498 0.528 6.755 1.00 0.00 C ATOM 880 CG LEU A 58 0.717 1.162 7.434 1.00 0.00 C ATOM 881 CD1 LEU A 58 0.850 0.615 8.856 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.979 0.820 6.639 1.00 0.00 C ATOM 0 H LEU A 58 -2.280 0.800 4.552 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.927 2.111 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.972 -0.186 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.184 -0.028 5.871 1.00 0.00 H new ATOM 0 HG LEU A 58 0.590 2.244 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.716 1.067 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.049 0.855 9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.978 -0.467 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.846 1.271 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.105 -0.262 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.886 1.207 5.624 1.00 0.00 H new ATOM 894 N CYS A 59 -0.922 3.943 5.939 1.00 0.00 N ATOM 895 CA CYS A 59 -0.264 5.041 5.172 1.00 0.00 C ATOM 896 C CYS A 59 1.055 5.432 5.840 1.00 0.00 C ATOM 897 O CYS A 59 1.176 5.428 7.048 1.00 0.00 O ATOM 898 CB CYS A 59 -1.248 6.211 5.207 1.00 0.00 C ATOM 899 SG CYS A 59 -2.910 5.616 4.808 1.00 0.00 S ATOM 0 H CYS A 59 -1.445 4.240 6.763 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.031 4.742 4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.243 6.674 6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.944 6.977 4.494 1.00 0.00 H new ATOM 904 N CYS A 60 2.043 5.766 5.060 1.00 0.00 N ATOM 905 CA CYS A 60 3.358 6.158 5.648 1.00 0.00 C ATOM 906 C CYS A 60 4.093 7.117 4.707 1.00 0.00 C ATOM 907 O CYS A 60 3.625 7.426 3.628 1.00 0.00 O ATOM 908 CB CYS A 60 4.163 4.855 5.830 1.00 0.00 C ATOM 909 SG CYS A 60 3.660 3.597 4.621 1.00 0.00 S ATOM 0 H CYS A 60 2.000 5.785 4.041 1.00 0.00 H new ATOM 0 HA CYS A 60 3.229 6.673 6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.227 5.064 5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.016 4.472 6.840 1.00 0.00 H new ATOM 914 N THR A 61 5.241 7.589 5.109 1.00 0.00 N ATOM 915 CA THR A 61 6.010 8.524 4.248 1.00 0.00 C ATOM 916 C THR A 61 7.496 8.459 4.605 1.00 0.00 C ATOM 917 O THR A 61 7.916 7.642 5.399 1.00 0.00 O ATOM 918 CB THR A 61 5.443 9.911 4.549 1.00 0.00 C ATOM 919 OG1 THR A 61 6.335 10.902 4.056 1.00 0.00 O ATOM 920 CG2 THR A 61 5.274 10.082 6.060 1.00 0.00 C ATOM 0 H THR A 61 5.680 7.364 6.002 1.00 0.00 H new ATOM 0 HA THR A 61 5.923 8.277 3.190 1.00 0.00 H new ATOM 0 HB THR A 61 4.473 10.019 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.972 11.792 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.870 11.072 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.590 9.322 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.242 9.974 6.549 1.00 0.00 H new ATOM 928 N THR A 62 8.296 9.310 4.024 1.00 0.00 N ATOM 929 CA THR A 62 9.755 9.286 4.334 1.00 0.00 C ATOM 930 C THR A 62 10.309 7.873 4.131 1.00 0.00 C ATOM 931 O THR A 62 10.105 6.993 4.944 1.00 0.00 O ATOM 932 CB THR A 62 9.856 9.697 5.803 1.00 0.00 C ATOM 933 OG1 THR A 62 9.125 10.898 6.008 1.00 0.00 O ATOM 934 CG2 THR A 62 11.324 9.921 6.171 1.00 0.00 C ATOM 0 H THR A 62 8.005 10.019 3.351 1.00 0.00 H new ATOM 0 HA THR A 62 10.328 9.951 3.688 1.00 0.00 H new ATOM 0 HB THR A 62 9.442 8.908 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.187 11.162 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.396 10.214 7.218 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.884 8.999 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.740 10.710 5.544 1.00 0.00 H new ATOM 942 N ASP A 63 11.005 7.649 3.051 1.00 0.00 N ATOM 943 CA ASP A 63 11.568 6.292 2.796 1.00 0.00 C ATOM 944 C ASP A 63 10.436 5.289 2.556 1.00 0.00 C ATOM 945 O ASP A 63 9.451 5.267 3.268 1.00 0.00 O ATOM 946 CB ASP A 63 12.342 5.936 4.067 1.00 0.00 C ATOM 947 CG ASP A 63 13.463 4.954 3.722 1.00 0.00 C ATOM 948 OD1 ASP A 63 13.975 5.034 2.619 1.00 0.00 O ATOM 949 OD2 ASP A 63 13.790 4.139 4.570 1.00 0.00 O ATOM 0 H ASP A 63 11.208 8.346 2.334 1.00 0.00 H new ATOM 0 HA ASP A 63 12.207 6.269 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.759 6.837 4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.670 5.494 4.803 1.00 0.00 H new ATOM 954 N ASP A 64 10.571 4.457 1.560 1.00 0.00 N ATOM 955 CA ASP A 64 9.503 3.449 1.271 1.00 0.00 C ATOM 956 C ASP A 64 8.175 4.134 0.911 1.00 0.00 C ATOM 957 O ASP A 64 7.769 4.135 -0.234 1.00 0.00 O ATOM 958 CB ASP A 64 9.355 2.650 2.567 1.00 0.00 C ATOM 959 CG ASP A 64 10.035 1.290 2.410 1.00 0.00 C ATOM 960 OD1 ASP A 64 10.942 1.193 1.600 1.00 0.00 O ATOM 961 OD2 ASP A 64 9.639 0.367 3.104 1.00 0.00 O ATOM 0 H ASP A 64 11.374 4.429 0.932 1.00 0.00 H new ATOM 0 HA ASP A 64 9.764 2.819 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.801 3.198 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.300 2.515 2.805 1.00 0.00 H new ATOM 966 N CYS A 65 7.487 4.715 1.866 1.00 0.00 N ATOM 967 CA CYS A 65 6.195 5.383 1.539 1.00 0.00 C ATOM 968 C CYS A 65 6.431 6.843 1.150 1.00 0.00 C ATOM 969 O CYS A 65 5.540 7.666 1.220 1.00 0.00 O ATOM 970 CB CYS A 65 5.373 5.298 2.821 1.00 0.00 C ATOM 971 SG CYS A 65 5.178 3.564 3.294 1.00 0.00 S ATOM 0 H CYS A 65 7.764 4.754 2.847 1.00 0.00 H new ATOM 0 HA CYS A 65 5.690 4.911 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.866 5.851 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.396 5.758 2.671 1.00 0.00 H new ATOM 976 N ASN A 66 7.624 7.170 0.738 1.00 0.00 N ATOM 977 CA ASN A 66 7.914 8.578 0.343 1.00 0.00 C ATOM 978 C ASN A 66 7.844 8.723 -1.179 1.00 0.00 C ATOM 979 O ASN A 66 6.773 8.515 -1.725 1.00 0.00 O ATOM 980 CB ASN A 66 9.334 8.843 0.843 1.00 0.00 C ATOM 981 CG ASN A 66 10.310 7.913 0.120 1.00 0.00 C ATOM 982 OD1 ASN A 66 10.088 6.720 0.047 1.00 0.00 O ATOM 983 ND2 ASN A 66 11.388 8.411 -0.422 1.00 0.00 N ATOM 984 OXT ASN A 66 8.862 9.039 -1.772 1.00 0.00 O ATOM 0 H ASN A 66 8.410 6.525 0.658 1.00 0.00 H new ATOM 0 HA ASN A 66 7.196 9.283 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.606 9.883 0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.389 8.680 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.044 7.799 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.574 9.412 -0.361 1.00 0.00 H new