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 1 MET CE :methyl 135:sc= -0.602 (180deg=-0.561) USER MOD Set 1.2: A 66 ASN : amide:sc= -5.47! C(o=-6.1!,f=-15!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -1.11! C(o=-3.4!,f=-1.1!) USER MOD Single : A 10 THR OG1 : rot 30:sc= 0.378! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00132 USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -0.172 (180deg=-0.566) 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= -1.37 USER MOD Single : A 37 THR OG1 : rot -17:sc= 0.215! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.798 11.046 -0.822 1.00 0.00 N ATOM 2 CA MET A 1 12.329 10.957 -0.576 1.00 0.00 C ATOM 3 C MET A 1 11.653 10.153 -1.690 1.00 0.00 C ATOM 4 O MET A 1 11.502 10.621 -2.801 1.00 0.00 O ATOM 5 CB MET A 1 11.839 12.405 -0.588 1.00 0.00 C ATOM 6 CG MET A 1 11.253 12.758 0.781 1.00 0.00 C ATOM 7 SD MET A 1 10.007 14.058 0.585 1.00 0.00 S ATOM 8 CE MET A 1 9.246 13.890 2.218 1.00 0.00 C ATOM 0 H1 MET A 1 14.245 11.594 -0.059 1.00 0.00 H new ATOM 0 H2 MET A 1 14.205 10.089 -0.845 1.00 0.00 H new ATOM 0 H3 MET A 1 13.969 11.517 -1.733 1.00 0.00 H new ATOM 0 HA MET A 1 12.097 10.455 0.363 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.663 13.077 -0.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.085 12.538 -1.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.804 11.875 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.044 13.095 1.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.095 14.878 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.285 13.385 2.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.899 13.305 2.866 1.00 0.00 H new ATOM 20 N LYS A 2 11.246 8.946 -1.403 1.00 0.00 N ATOM 21 CA LYS A 2 10.581 8.116 -2.449 1.00 0.00 C ATOM 22 C LYS A 2 9.775 6.987 -1.800 1.00 0.00 C ATOM 23 O LYS A 2 9.583 6.959 -0.600 1.00 0.00 O ATOM 24 CB LYS A 2 11.725 7.546 -3.288 1.00 0.00 C ATOM 25 CG LYS A 2 11.962 8.446 -4.501 1.00 0.00 C ATOM 26 CD LYS A 2 13.423 8.900 -4.523 1.00 0.00 C ATOM 27 CE LYS A 2 14.049 8.544 -5.875 1.00 0.00 C ATOM 28 NZ LYS A 2 15.504 8.360 -5.597 1.00 0.00 N ATOM 0 H LYS A 2 11.345 8.499 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 2 9.882 8.695 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.633 7.479 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.483 6.534 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.724 7.908 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.302 9.312 -4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.483 9.975 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.976 8.419 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.609 7.635 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.885 9.336 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.998 8.114 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.899 9.243 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.631 7.595 -4.904 1.00 0.00 H new ATOM 42 N CYS A 3 9.300 6.056 -2.583 1.00 0.00 N ATOM 43 CA CYS A 3 8.504 4.933 -2.006 1.00 0.00 C ATOM 44 C CYS A 3 8.675 3.664 -2.848 1.00 0.00 C ATOM 45 O CYS A 3 8.574 3.695 -4.058 1.00 0.00 O ATOM 46 CB CYS A 3 7.054 5.412 -2.056 1.00 0.00 C ATOM 47 SG CYS A 3 6.153 4.758 -0.629 1.00 0.00 S ATOM 0 H CYS A 3 9.428 6.024 -3.594 1.00 0.00 H new ATOM 0 HA CYS A 3 8.822 4.684 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.019 6.501 -2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.582 5.080 -2.981 1.00 0.00 H new ATOM 52 N LYS A 4 8.929 2.549 -2.215 1.00 0.00 N ATOM 53 CA LYS A 4 9.103 1.276 -2.974 1.00 0.00 C ATOM 54 C LYS A 4 7.739 0.696 -3.362 1.00 0.00 C ATOM 55 O LYS A 4 6.764 0.847 -2.652 1.00 0.00 O ATOM 56 CB LYS A 4 9.830 0.335 -2.012 1.00 0.00 C ATOM 57 CG LYS A 4 8.974 0.113 -0.763 1.00 0.00 C ATOM 58 CD LYS A 4 9.139 -1.330 -0.283 1.00 0.00 C ATOM 59 CE LYS A 4 9.677 -1.333 1.150 1.00 0.00 C ATOM 60 NZ LYS A 4 9.476 -2.729 1.632 1.00 0.00 N ATOM 0 H LYS A 4 9.024 2.465 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 4 9.659 1.423 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.030 -0.618 -2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.795 0.759 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.273 0.806 0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.927 0.316 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.182 -1.850 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.822 -1.867 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.730 -1.053 1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.141 -0.618 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.821 -2.812 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.464 -2.965 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.003 -3.386 1.022 1.00 0.00 H new ATOM 74 N ILE A 5 7.662 0.033 -4.485 1.00 0.00 N ATOM 75 CA ILE A 5 6.362 -0.556 -4.920 1.00 0.00 C ATOM 76 C ILE A 5 6.564 -2.003 -5.384 1.00 0.00 C ATOM 77 O ILE A 5 7.484 -2.310 -6.120 1.00 0.00 O ATOM 78 CB ILE A 5 5.891 0.326 -6.079 1.00 0.00 C ATOM 79 CG1 ILE A 5 5.289 1.618 -5.520 1.00 0.00 C ATOM 80 CG2 ILE A 5 4.828 -0.415 -6.894 1.00 0.00 C ATOM 81 CD1 ILE A 5 6.068 2.819 -6.059 1.00 0.00 C ATOM 0 H ILE A 5 8.444 -0.126 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 5 5.631 -0.584 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 5 6.740 0.562 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.239 1.695 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.325 1.607 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.496 0.216 -7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.252 -1.337 -7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.979 -0.653 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.640 3.739 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.111 2.743 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.009 2.832 -7.147 1.00 0.00 H new ATOM 93 N CYS A 6 5.704 -2.888 -4.957 1.00 0.00 N ATOM 94 CA CYS A 6 5.828 -4.318 -5.363 1.00 0.00 C ATOM 95 C CYS A 6 4.562 -5.082 -4.958 1.00 0.00 C ATOM 96 O CYS A 6 4.196 -5.124 -3.800 1.00 0.00 O ATOM 97 CB CYS A 6 7.044 -4.842 -4.598 1.00 0.00 C ATOM 98 SG CYS A 6 6.727 -4.747 -2.818 1.00 0.00 S ATOM 0 H CYS A 6 4.917 -2.681 -4.342 1.00 0.00 H new ATOM 0 HA CYS A 6 5.946 -4.440 -6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.252 -5.872 -4.886 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.927 -4.256 -4.852 1.00 0.00 H new ATOM 103 N ASN A 7 3.883 -5.675 -5.902 1.00 0.00 N ATOM 104 CA ASN A 7 2.635 -6.422 -5.564 1.00 0.00 C ATOM 105 C ASN A 7 2.557 -7.731 -6.361 1.00 0.00 C ATOM 106 O ASN A 7 3.532 -8.444 -6.495 1.00 0.00 O ATOM 107 CB ASN A 7 1.500 -5.477 -5.961 1.00 0.00 C ATOM 108 CG ASN A 7 0.315 -5.673 -5.013 1.00 0.00 C ATOM 109 OD1 ASN A 7 0.168 -6.815 -4.398 1.00 0.00 O flip ATOM 110 ND2 ASN A 7 -0.485 -4.778 -4.829 1.00 0.00 N flip ATOM 0 H ASN A 7 4.136 -5.675 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 7 2.590 -6.700 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.843 -4.443 -5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.193 -5.672 -6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.371 -3.885 -5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.271 -4.919 -4.194 1.00 0.00 H new ATOM 117 N PHE A 8 1.402 -8.053 -6.884 1.00 0.00 N ATOM 118 CA PHE A 8 1.248 -9.316 -7.668 1.00 0.00 C ATOM 119 C PHE A 8 1.432 -10.535 -6.759 1.00 0.00 C ATOM 120 O PHE A 8 2.296 -11.360 -6.977 1.00 0.00 O ATOM 121 CB PHE A 8 2.346 -9.268 -8.732 1.00 0.00 C ATOM 122 CG PHE A 8 2.390 -7.893 -9.355 1.00 0.00 C ATOM 123 CD1 PHE A 8 1.212 -7.304 -9.832 1.00 0.00 C ATOM 124 CD2 PHE A 8 3.606 -7.209 -9.458 1.00 0.00 C ATOM 125 CE1 PHE A 8 1.252 -6.031 -10.411 1.00 0.00 C ATOM 126 CE2 PHE A 8 3.646 -5.935 -10.035 1.00 0.00 C ATOM 127 CZ PHE A 8 2.469 -5.345 -10.512 1.00 0.00 C ATOM 0 H PHE A 8 0.554 -7.492 -6.801 1.00 0.00 H new ATOM 0 HA PHE A 8 0.257 -9.401 -8.113 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.311 -9.506 -8.284 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.156 -10.019 -9.499 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.273 -7.832 -9.753 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.514 -7.665 -9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.344 -5.577 -10.780 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.585 -5.407 -10.113 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.500 -4.362 -10.957 1.00 0.00 H new ATOM 137 N ASP A 9 0.618 -10.656 -5.745 1.00 0.00 N ATOM 138 CA ASP A 9 0.736 -11.824 -4.822 1.00 0.00 C ATOM 139 C ASP A 9 2.082 -11.804 -4.088 1.00 0.00 C ATOM 140 O ASP A 9 2.430 -12.738 -3.395 1.00 0.00 O ATOM 141 CB ASP A 9 0.640 -13.053 -5.727 1.00 0.00 C ATOM 142 CG ASP A 9 -0.404 -14.019 -5.165 1.00 0.00 C ATOM 143 OD1 ASP A 9 -0.569 -14.044 -3.957 1.00 0.00 O ATOM 144 OD2 ASP A 9 -1.020 -14.718 -5.953 1.00 0.00 O ATOM 0 H ASP A 9 -0.125 -9.996 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.037 -11.815 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.366 -12.753 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.610 -13.546 -5.793 1.00 0.00 H new ATOM 149 N THR A 10 2.837 -10.747 -4.231 1.00 0.00 N ATOM 150 CA THR A 10 4.157 -10.670 -3.539 1.00 0.00 C ATOM 151 C THR A 10 4.867 -9.365 -3.909 1.00 0.00 C ATOM 152 O THR A 10 4.250 -8.325 -4.029 1.00 0.00 O ATOM 153 CB THR A 10 4.954 -11.874 -4.050 1.00 0.00 C ATOM 154 OG1 THR A 10 6.275 -11.817 -3.533 1.00 0.00 O ATOM 155 CG2 THR A 10 5.002 -11.847 -5.577 1.00 0.00 C ATOM 0 H THR A 10 2.597 -9.933 -4.797 1.00 0.00 H new ATOM 0 HA THR A 10 4.053 -10.685 -2.454 1.00 0.00 H new ATOM 0 HB THR A 10 4.472 -12.795 -3.721 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.266 -11.369 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.570 -12.705 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.988 -11.890 -5.974 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.483 -10.927 -5.910 1.00 0.00 H new ATOM 163 N CYS A 11 6.158 -9.412 -4.095 1.00 0.00 N ATOM 164 CA CYS A 11 6.904 -8.174 -4.460 1.00 0.00 C ATOM 165 C CYS A 11 8.027 -8.507 -5.446 1.00 0.00 C ATOM 166 O CYS A 11 9.191 -8.303 -5.165 1.00 0.00 O ATOM 167 CB CYS A 11 7.481 -7.656 -3.143 1.00 0.00 C ATOM 168 SG CYS A 11 6.244 -6.638 -2.301 1.00 0.00 S ATOM 0 H CYS A 11 6.728 -10.253 -4.010 1.00 0.00 H new ATOM 0 HA CYS A 11 6.266 -7.434 -4.943 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.773 -8.492 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.381 -7.071 -3.333 1.00 0.00 H new ATOM 173 N ARG A 12 7.686 -9.019 -6.598 1.00 0.00 N ATOM 174 CA ARG A 12 8.735 -9.367 -7.600 1.00 0.00 C ATOM 175 C ARG A 12 9.217 -8.106 -8.322 1.00 0.00 C ATOM 176 O ARG A 12 10.204 -8.124 -9.031 1.00 0.00 O ATOM 177 CB ARG A 12 8.045 -10.314 -8.582 1.00 0.00 C ATOM 178 CG ARG A 12 8.365 -11.763 -8.208 1.00 0.00 C ATOM 179 CD ARG A 12 7.547 -12.709 -9.089 1.00 0.00 C ATOM 180 NE ARG A 12 8.522 -13.728 -9.568 1.00 0.00 N ATOM 181 CZ ARG A 12 8.202 -14.993 -9.557 1.00 0.00 C ATOM 182 NH1 ARG A 12 7.137 -15.402 -10.192 1.00 0.00 N ATOM 183 NH2 ARG A 12 8.944 -15.849 -8.911 1.00 0.00 N ATOM 0 H ARG A 12 6.727 -9.211 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 12 9.611 -9.823 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.967 -10.152 -8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.380 -10.108 -9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.430 -11.957 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.135 -11.938 -7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.737 -13.172 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.091 -12.176 -9.923 1.00 0.00 H new ATOM 0 HE ARG A 12 9.440 -13.437 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.556 -14.733 -10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.887 -16.391 -10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.775 -15.530 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.693 -16.838 -8.903 1.00 0.00 H new ATOM 197 N ALA A 13 8.528 -7.013 -8.151 1.00 0.00 N ATOM 198 CA ALA A 13 8.947 -5.753 -8.830 1.00 0.00 C ATOM 199 C ALA A 13 9.994 -5.020 -7.988 1.00 0.00 C ATOM 200 O ALA A 13 11.142 -4.909 -8.368 1.00 0.00 O ATOM 201 CB ALA A 13 7.670 -4.919 -8.942 1.00 0.00 C ATOM 0 H ALA A 13 7.693 -6.936 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 13 9.398 -5.941 -9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.896 -3.972 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.930 -5.464 -9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.273 -4.725 -7.945 1.00 0.00 H new ATOM 207 N GLY A 14 9.607 -4.519 -6.848 1.00 0.00 N ATOM 208 CA GLY A 14 10.583 -3.794 -5.986 1.00 0.00 C ATOM 209 C GLY A 14 11.008 -2.497 -6.676 1.00 0.00 C ATOM 210 O GLY A 14 12.161 -2.118 -6.650 1.00 0.00 O ATOM 0 H GLY A 14 8.659 -4.580 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.135 -3.573 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.455 -4.421 -5.798 1.00 0.00 H new ATOM 214 N GLU A 15 10.084 -1.813 -7.294 1.00 0.00 N ATOM 215 CA GLU A 15 10.438 -0.538 -7.986 1.00 0.00 C ATOM 216 C GLU A 15 9.963 0.654 -7.154 1.00 0.00 C ATOM 217 O GLU A 15 8.810 0.745 -6.789 1.00 0.00 O ATOM 218 CB GLU A 15 9.694 -0.592 -9.321 1.00 0.00 C ATOM 219 CG GLU A 15 10.308 0.422 -10.286 1.00 0.00 C ATOM 220 CD GLU A 15 9.449 0.509 -11.550 1.00 0.00 C ATOM 221 OE1 GLU A 15 8.354 -0.029 -11.536 1.00 0.00 O ATOM 222 OE2 GLU A 15 9.899 1.114 -12.508 1.00 0.00 O ATOM 0 H GLU A 15 9.101 -2.080 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 15 11.513 -0.424 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.754 -1.595 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.637 -0.373 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.373 1.400 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.325 0.125 -10.544 1.00 0.00 H new ATOM 229 N LEU A 16 10.841 1.567 -6.841 1.00 0.00 N ATOM 230 CA LEU A 16 10.420 2.739 -6.021 1.00 0.00 C ATOM 231 C LEU A 16 9.977 3.900 -6.911 1.00 0.00 C ATOM 232 O LEU A 16 10.126 3.872 -8.116 1.00 0.00 O ATOM 233 CB LEU A 16 11.653 3.129 -5.208 1.00 0.00 C ATOM 234 CG LEU A 16 12.148 1.920 -4.415 1.00 0.00 C ATOM 235 CD1 LEU A 16 13.565 1.561 -4.865 1.00 0.00 C ATOM 236 CD2 LEU A 16 12.156 2.264 -2.925 1.00 0.00 C ATOM 0 H LEU A 16 11.824 1.554 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 16 9.570 2.496 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.440 3.488 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.410 3.947 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 16 11.487 1.071 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.919 0.699 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.559 1.320 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.228 2.408 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.508 1.404 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.819 3.111 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.146 2.522 -2.606 1.00 0.00 H new ATOM 248 N LYS A 17 9.429 4.921 -6.314 1.00 0.00 N ATOM 249 CA LYS A 17 8.966 6.096 -7.101 1.00 0.00 C ATOM 250 C LYS A 17 8.829 7.307 -6.176 1.00 0.00 C ATOM 251 O LYS A 17 9.456 7.378 -5.137 1.00 0.00 O ATOM 252 CB LYS A 17 7.602 5.688 -7.657 1.00 0.00 C ATOM 253 CG LYS A 17 7.616 5.799 -9.182 1.00 0.00 C ATOM 254 CD LYS A 17 6.261 6.319 -9.667 1.00 0.00 C ATOM 255 CE LYS A 17 6.442 7.071 -10.988 1.00 0.00 C ATOM 256 NZ LYS A 17 5.545 6.375 -11.951 1.00 0.00 N ATOM 0 H LYS A 17 9.281 4.992 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 17 9.659 6.370 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.367 4.666 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.823 6.328 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.412 6.472 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.825 4.826 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.568 5.488 -9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.824 6.979 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.171 8.122 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.479 7.040 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.613 6.833 -12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.831 5.378 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.564 6.427 -11.611 1.00 0.00 H new ATOM 270 N VAL A 18 8.011 8.254 -6.538 1.00 0.00 N ATOM 271 CA VAL A 18 7.836 9.452 -5.669 1.00 0.00 C ATOM 272 C VAL A 18 6.360 9.844 -5.599 1.00 0.00 C ATOM 273 O VAL A 18 5.646 9.797 -6.581 1.00 0.00 O ATOM 274 CB VAL A 18 8.657 10.552 -6.340 1.00 0.00 C ATOM 275 CG1 VAL A 18 8.858 11.706 -5.356 1.00 0.00 C ATOM 276 CG2 VAL A 18 10.020 9.991 -6.750 1.00 0.00 C ATOM 0 H VAL A 18 7.457 8.252 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 18 8.162 9.271 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 18 8.131 10.913 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.444 12.492 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.888 12.105 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.386 11.344 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.607 10.775 -7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.547 9.632 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.879 9.166 -7.448 1.00 0.00 H new ATOM 286 N CYS A 19 5.895 10.226 -4.442 1.00 0.00 N ATOM 287 CA CYS A 19 4.462 10.618 -4.306 1.00 0.00 C ATOM 288 C CYS A 19 4.248 11.409 -3.013 1.00 0.00 C ATOM 289 O CYS A 19 3.310 11.174 -2.277 1.00 0.00 O ATOM 290 CB CYS A 19 3.697 9.296 -4.255 1.00 0.00 C ATOM 291 SG CYS A 19 2.758 9.080 -5.787 1.00 0.00 S ATOM 0 H CYS A 19 6.444 10.284 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 19 4.129 11.255 -5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.392 8.467 -4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.023 9.287 -3.399 1.00 0.00 H new ATOM 296 N ALA A 20 5.111 12.345 -2.729 1.00 0.00 N ATOM 297 CA ALA A 20 4.954 13.149 -1.483 1.00 0.00 C ATOM 298 C ALA A 20 5.549 14.546 -1.679 1.00 0.00 C ATOM 299 O ALA A 20 6.312 15.026 -0.864 1.00 0.00 O ATOM 300 CB ALA A 20 5.731 12.380 -0.415 1.00 0.00 C ATOM 0 H ALA A 20 5.917 12.588 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 20 3.908 13.285 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.664 12.909 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.308 11.382 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.777 12.300 -0.713 1.00 0.00 H new ATOM 306 N SER A 21 5.207 15.201 -2.754 1.00 0.00 N ATOM 307 CA SER A 21 5.753 16.566 -3.001 1.00 0.00 C ATOM 308 C SER A 21 4.771 17.627 -2.498 1.00 0.00 C ATOM 309 O SER A 21 5.137 18.760 -2.255 1.00 0.00 O ATOM 310 CB SER A 21 5.912 16.658 -4.517 1.00 0.00 C ATOM 311 OG SER A 21 6.125 15.356 -5.047 1.00 0.00 O ATOM 0 H SER A 21 4.573 14.850 -3.472 1.00 0.00 H new ATOM 0 HA SER A 21 6.696 16.735 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.022 17.103 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.751 17.307 -4.767 1.00 0.00 H new ATOM 0 HG SER A 21 6.226 15.411 -6.020 1.00 0.00 H new ATOM 317 N GLY A 22 3.527 17.269 -2.339 1.00 0.00 N ATOM 318 CA GLY A 22 2.522 18.257 -1.851 1.00 0.00 C ATOM 319 C GLY A 22 1.817 17.700 -0.614 1.00 0.00 C ATOM 320 O GLY A 22 2.093 18.094 0.501 1.00 0.00 O ATOM 0 H GLY A 22 3.162 16.335 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.012 19.200 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.793 18.467 -2.634 1.00 0.00 H new ATOM 324 N GLU A 23 0.906 16.783 -0.802 1.00 0.00 N ATOM 325 CA GLU A 23 0.182 16.199 0.364 1.00 0.00 C ATOM 326 C GLU A 23 -0.311 14.791 0.024 1.00 0.00 C ATOM 327 O GLU A 23 -1.496 14.524 0.011 1.00 0.00 O ATOM 328 CB GLU A 23 -1.001 17.138 0.606 1.00 0.00 C ATOM 329 CG GLU A 23 -1.482 16.993 2.052 1.00 0.00 C ATOM 330 CD GLU A 23 -2.992 17.233 2.113 1.00 0.00 C ATOM 331 OE1 GLU A 23 -3.538 17.702 1.128 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.577 16.942 3.144 1.00 0.00 O ATOM 0 H GLU A 23 0.632 16.413 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 23 0.818 16.110 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.706 18.169 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.812 16.903 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.246 15.997 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.963 17.706 2.692 1.00 0.00 H new ATOM 339 N LYS A 24 0.589 13.886 -0.251 1.00 0.00 N ATOM 340 CA LYS A 24 0.169 12.496 -0.592 1.00 0.00 C ATOM 341 C LYS A 24 1.066 11.480 0.119 1.00 0.00 C ATOM 342 O LYS A 24 2.266 11.458 -0.070 1.00 0.00 O ATOM 343 CB LYS A 24 0.335 12.392 -2.106 1.00 0.00 C ATOM 344 CG LYS A 24 -0.949 12.857 -2.793 1.00 0.00 C ATOM 345 CD LYS A 24 -2.061 11.836 -2.544 1.00 0.00 C ATOM 346 CE LYS A 24 -3.118 11.951 -3.645 1.00 0.00 C ATOM 347 NZ LYS A 24 -4.414 12.073 -2.921 1.00 0.00 N ATOM 0 H LYS A 24 1.596 14.049 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.854 12.287 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.177 13.003 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.559 11.363 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.245 13.834 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.780 12.972 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.646 10.828 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.516 12.009 -1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.936 12.819 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.109 11.076 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.094 12.593 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.788 11.124 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.266 12.587 -2.029 1.00 0.00 H new ATOM 361 N TYR A 25 0.493 10.639 0.933 1.00 0.00 N ATOM 362 CA TYR A 25 1.310 9.624 1.656 1.00 0.00 C ATOM 363 C TYR A 25 1.181 8.260 0.974 1.00 0.00 C ATOM 364 O TYR A 25 0.186 7.961 0.344 1.00 0.00 O ATOM 365 CB TYR A 25 0.719 9.570 3.065 1.00 0.00 C ATOM 366 CG TYR A 25 0.491 10.972 3.579 1.00 0.00 C ATOM 367 CD1 TYR A 25 1.273 12.030 3.101 1.00 0.00 C ATOM 368 CD2 TYR A 25 -0.503 11.211 4.535 1.00 0.00 C ATOM 369 CE1 TYR A 25 1.062 13.328 3.581 1.00 0.00 C ATOM 370 CE2 TYR A 25 -0.714 12.510 5.015 1.00 0.00 C ATOM 371 CZ TYR A 25 0.069 13.568 4.538 1.00 0.00 C ATOM 372 OH TYR A 25 -0.138 14.848 5.011 1.00 0.00 O ATOM 0 H TYR A 25 -0.507 10.610 1.130 1.00 0.00 H new ATOM 0 HA TYR A 25 2.370 9.879 1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.222 9.020 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.394 9.034 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.039 11.845 2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.107 10.394 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.666 14.144 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.481 12.695 5.753 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.864 14.840 5.669 1.00 0.00 H new ATOM 382 N CYS A 26 2.176 7.424 1.103 1.00 0.00 N ATOM 383 CA CYS A 26 2.098 6.077 0.468 1.00 0.00 C ATOM 384 C CYS A 26 1.065 5.223 1.205 1.00 0.00 C ATOM 385 O CYS A 26 1.361 4.598 2.204 1.00 0.00 O ATOM 386 CB CYS A 26 3.497 5.482 0.621 1.00 0.00 C ATOM 387 SG CYS A 26 4.222 5.210 -1.015 1.00 0.00 S ATOM 0 H CYS A 26 3.036 7.614 1.618 1.00 0.00 H new ATOM 0 HA CYS A 26 1.794 6.123 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.128 6.154 1.202 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.445 4.541 1.168 1.00 0.00 H new ATOM 392 N PHE A 27 -0.146 5.203 0.726 1.00 0.00 N ATOM 393 CA PHE A 27 -1.204 4.401 1.403 1.00 0.00 C ATOM 394 C PHE A 27 -1.193 2.958 0.891 1.00 0.00 C ATOM 395 O PHE A 27 -1.219 2.709 -0.298 1.00 0.00 O ATOM 396 CB PHE A 27 -2.515 5.098 1.035 1.00 0.00 C ATOM 397 CG PHE A 27 -3.678 4.171 1.294 1.00 0.00 C ATOM 398 CD1 PHE A 27 -3.631 3.270 2.365 1.00 0.00 C ATOM 399 CD2 PHE A 27 -4.803 4.211 0.462 1.00 0.00 C ATOM 400 CE1 PHE A 27 -4.709 2.411 2.604 1.00 0.00 C ATOM 401 CE2 PHE A 27 -5.881 3.351 0.701 1.00 0.00 C ATOM 402 CZ PHE A 27 -5.835 2.451 1.771 1.00 0.00 C ATOM 0 H PHE A 27 -0.451 5.708 -0.106 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.057 4.347 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.629 6.011 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.499 5.392 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.763 3.238 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.839 4.905 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.673 1.717 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.749 3.382 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.667 1.787 1.955 1.00 0.00 H new ATOM 412 N LYS A 28 -1.162 2.007 1.784 1.00 0.00 N ATOM 413 CA LYS A 28 -1.158 0.579 1.356 1.00 0.00 C ATOM 414 C LYS A 28 -2.343 -0.154 1.988 1.00 0.00 C ATOM 415 O LYS A 28 -2.585 -0.054 3.175 1.00 0.00 O ATOM 416 CB LYS A 28 0.165 0.011 1.871 1.00 0.00 C ATOM 417 CG LYS A 28 1.295 0.408 0.918 1.00 0.00 C ATOM 418 CD LYS A 28 2.613 -0.189 1.415 1.00 0.00 C ATOM 419 CE LYS A 28 3.425 0.895 2.130 1.00 0.00 C ATOM 420 NZ LYS A 28 4.432 0.151 2.937 1.00 0.00 N ATOM 0 H LYS A 28 -1.139 2.157 2.793 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.250 0.467 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.370 0.389 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.103 -1.075 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.078 0.051 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.373 1.494 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.416 -1.019 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.182 -0.591 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.907 1.563 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.788 1.512 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.028 0.826 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.944 -0.472 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.028 -0.422 2.306 1.00 0.00 H new ATOM 434 N GLU A 29 -3.086 -0.888 1.205 1.00 0.00 N ATOM 435 CA GLU A 29 -4.257 -1.621 1.766 1.00 0.00 C ATOM 436 C GLU A 29 -4.142 -3.117 1.466 1.00 0.00 C ATOM 437 O GLU A 29 -4.138 -3.534 0.324 1.00 0.00 O ATOM 438 CB GLU A 29 -5.474 -1.024 1.058 1.00 0.00 C ATOM 439 CG GLU A 29 -6.748 -1.676 1.597 1.00 0.00 C ATOM 440 CD GLU A 29 -7.969 -1.042 0.925 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.994 -1.002 -0.293 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.857 -0.609 1.641 1.00 0.00 O ATOM 0 H GLU A 29 -2.934 -1.012 0.204 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.325 -1.521 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.509 0.054 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.397 -1.185 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.730 -2.749 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.806 -1.547 2.678 1.00 0.00 H new ATOM 449 N SER A 30 -4.053 -3.930 2.483 1.00 0.00 N ATOM 450 CA SER A 30 -3.943 -5.399 2.256 1.00 0.00 C ATOM 451 C SER A 30 -5.322 -6.051 2.379 1.00 0.00 C ATOM 452 O SER A 30 -5.936 -6.036 3.428 1.00 0.00 O ATOM 453 CB SER A 30 -3.009 -5.903 3.357 1.00 0.00 C ATOM 454 OG SER A 30 -2.549 -7.206 3.023 1.00 0.00 O ATOM 0 H SER A 30 -4.052 -3.641 3.461 1.00 0.00 H new ATOM 0 HA SER A 30 -3.563 -5.639 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.164 -5.225 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.533 -5.924 4.313 1.00 0.00 H new ATOM 0 HG SER A 30 -1.949 -7.531 3.726 1.00 0.00 H new ATOM 460 N TRP A 31 -5.815 -6.620 1.312 1.00 0.00 N ATOM 461 CA TRP A 31 -7.156 -7.269 1.361 1.00 0.00 C ATOM 462 C TRP A 31 -7.010 -8.782 1.543 1.00 0.00 C ATOM 463 O TRP A 31 -6.137 -9.406 0.971 1.00 0.00 O ATOM 464 CB TRP A 31 -7.795 -6.954 0.009 1.00 0.00 C ATOM 465 CG TRP A 31 -9.131 -6.318 0.224 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.006 -6.659 1.199 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.758 -5.244 -0.533 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.131 -5.860 1.087 1.00 0.00 N ATOM 469 CE2 TRP A 31 -11.025 -4.972 0.035 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.354 -4.487 -1.646 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -11.862 -3.983 -0.485 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -10.193 -3.491 -2.172 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.444 -3.240 -1.591 1.00 0.00 C ATOM 0 H TRP A 31 -5.346 -6.663 0.407 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.758 -6.907 2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.151 -6.286 -0.563 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.905 -7.868 -0.575 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.852 -7.428 1.942 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -11.939 -5.920 1.706 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.392 -4.672 -2.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -12.826 -3.794 -0.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.873 -2.916 -3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -12.084 -2.472 -1.999 1.00 0.00 H new ATOM 484 N ARG A 32 -7.862 -9.375 2.334 1.00 0.00 N ATOM 485 CA ARG A 32 -7.780 -10.847 2.553 1.00 0.00 C ATOM 486 C ARG A 32 -8.993 -11.542 1.927 1.00 0.00 C ATOM 487 O ARG A 32 -10.112 -11.375 2.371 1.00 0.00 O ATOM 488 CB ARG A 32 -7.786 -11.021 4.073 1.00 0.00 C ATOM 489 CG ARG A 32 -7.404 -12.460 4.426 1.00 0.00 C ATOM 490 CD ARG A 32 -7.164 -12.570 5.933 1.00 0.00 C ATOM 491 NE ARG A 32 -5.933 -11.771 6.185 1.00 0.00 N ATOM 492 CZ ARG A 32 -5.669 -11.340 7.389 1.00 0.00 C ATOM 493 NH1 ARG A 32 -5.863 -12.119 8.417 1.00 0.00 N ATOM 494 NH2 ARG A 32 -5.211 -10.131 7.563 1.00 0.00 N ATOM 0 H ARG A 32 -8.612 -8.903 2.839 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.893 -11.285 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.084 -10.325 4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.773 -10.788 4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.198 -13.143 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.506 -12.753 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.011 -12.179 6.497 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.030 -13.608 6.237 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.296 -11.560 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.221 -13.064 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.657 -11.783 9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.059 -9.522 6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.005 -9.794 8.503 1.00 0.00 H new ATOM 508 N GLU A 33 -8.782 -12.316 0.898 1.00 0.00 N ATOM 509 CA GLU A 33 -9.926 -13.018 0.247 1.00 0.00 C ATOM 510 C GLU A 33 -9.906 -14.507 0.600 1.00 0.00 C ATOM 511 O GLU A 33 -8.994 -14.992 1.240 1.00 0.00 O ATOM 512 CB GLU A 33 -9.711 -12.820 -1.255 1.00 0.00 C ATOM 513 CG GLU A 33 -11.044 -12.475 -1.921 1.00 0.00 C ATOM 514 CD GLU A 33 -10.929 -12.679 -3.432 1.00 0.00 C ATOM 515 OE1 GLU A 33 -10.031 -13.391 -3.847 1.00 0.00 O ATOM 516 OE2 GLU A 33 -11.743 -12.119 -4.149 1.00 0.00 O ATOM 0 H GLU A 33 -7.869 -12.493 0.480 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.889 -12.628 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.989 -12.022 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.296 -13.726 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.837 -13.105 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.315 -11.442 -1.703 1.00 0.00 H new ATOM 523 N ALA A 34 -10.906 -15.237 0.189 1.00 0.00 N ATOM 524 CA ALA A 34 -10.945 -16.694 0.502 1.00 0.00 C ATOM 525 C ALA A 34 -10.033 -17.466 -0.456 1.00 0.00 C ATOM 526 O ALA A 34 -9.502 -18.506 -0.119 1.00 0.00 O ATOM 527 CB ALA A 34 -12.403 -17.105 0.301 1.00 0.00 C ATOM 0 H ALA A 34 -11.698 -14.888 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.597 -16.908 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.514 -18.168 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.039 -16.532 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.698 -16.908 -0.730 1.00 0.00 H new ATOM 533 N ARG A 35 -9.846 -16.966 -1.646 1.00 0.00 N ATOM 534 CA ARG A 35 -8.967 -17.672 -2.622 1.00 0.00 C ATOM 535 C ARG A 35 -7.502 -17.298 -2.379 1.00 0.00 C ATOM 536 O ARG A 35 -6.609 -17.774 -3.052 1.00 0.00 O ATOM 537 CB ARG A 35 -9.423 -17.184 -3.998 1.00 0.00 C ATOM 538 CG ARG A 35 -8.938 -18.159 -5.072 1.00 0.00 C ATOM 539 CD ARG A 35 -8.764 -17.416 -6.398 1.00 0.00 C ATOM 540 NE ARG A 35 -8.666 -18.487 -7.428 1.00 0.00 N ATOM 541 CZ ARG A 35 -9.646 -18.673 -8.269 1.00 0.00 C ATOM 542 NH1 ARG A 35 -9.854 -17.815 -9.230 1.00 0.00 N ATOM 543 NH2 ARG A 35 -10.418 -19.719 -8.150 1.00 0.00 N ATOM 0 H ARG A 35 -10.263 -16.099 -1.985 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.039 -18.756 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.510 -17.107 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.027 -16.187 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.993 -18.609 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.655 -18.972 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.608 -16.755 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.869 -16.794 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.834 -19.075 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.250 -16.998 -9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.620 -17.961 -9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.255 -20.390 -7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.184 -19.865 -8.807 1.00 0.00 H new ATOM 557 N GLY A 36 -7.248 -16.448 -1.420 1.00 0.00 N ATOM 558 CA GLY A 36 -5.843 -16.044 -1.135 1.00 0.00 C ATOM 559 C GLY A 36 -5.829 -14.636 -0.537 1.00 0.00 C ATOM 560 O GLY A 36 -6.643 -14.298 0.299 1.00 0.00 O ATOM 0 H GLY A 36 -7.953 -16.017 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.384 -16.749 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.253 -16.067 -2.052 1.00 0.00 H new ATOM 564 N THR A 37 -4.912 -13.810 -0.960 1.00 0.00 N ATOM 565 CA THR A 37 -4.850 -12.423 -0.415 1.00 0.00 C ATOM 566 C THR A 37 -4.121 -11.500 -1.394 1.00 0.00 C ATOM 567 O THR A 37 -3.368 -11.943 -2.238 1.00 0.00 O ATOM 568 CB THR A 37 -4.068 -12.546 0.893 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.748 -13.437 1.767 1.00 0.00 O ATOM 570 CG2 THR A 37 -3.953 -11.171 1.552 1.00 0.00 C ATOM 0 H THR A 37 -4.203 -14.034 -1.659 1.00 0.00 H new ATOM 0 HA THR A 37 -5.841 -11.997 -0.258 1.00 0.00 H new ATOM 0 HB THR A 37 -3.070 -12.931 0.685 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.674 -13.548 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.395 -11.260 2.484 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.432 -10.488 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.950 -10.783 1.761 1.00 0.00 H new ATOM 578 N ARG A 38 -4.339 -10.216 -1.288 1.00 0.00 N ATOM 579 CA ARG A 38 -3.658 -9.263 -2.212 1.00 0.00 C ATOM 580 C ARG A 38 -3.653 -7.857 -1.606 1.00 0.00 C ATOM 581 O ARG A 38 -4.580 -7.460 -0.932 1.00 0.00 O ATOM 582 CB ARG A 38 -4.490 -9.293 -3.496 1.00 0.00 C ATOM 583 CG ARG A 38 -3.706 -10.013 -4.597 1.00 0.00 C ATOM 584 CD ARG A 38 -4.202 -11.456 -4.718 1.00 0.00 C ATOM 585 NE ARG A 38 -4.691 -11.581 -6.118 1.00 0.00 N ATOM 586 CZ ARG A 38 -3.897 -11.295 -7.115 1.00 0.00 C ATOM 587 NH1 ARG A 38 -2.850 -12.038 -7.350 1.00 0.00 N ATOM 588 NH2 ARG A 38 -4.152 -10.266 -7.877 1.00 0.00 N ATOM 0 H ARG A 38 -4.959 -9.786 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.618 -9.534 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.437 -9.803 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.729 -8.277 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.832 -9.493 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.641 -10.002 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.401 -12.167 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.998 -11.661 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.646 -11.890 -6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.652 -12.842 -6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.230 -11.814 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.971 -9.686 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.532 -10.042 -8.656 1.00 0.00 H new ATOM 602 N ILE A 39 -2.613 -7.101 -1.838 1.00 0.00 N ATOM 603 CA ILE A 39 -2.553 -5.723 -1.269 1.00 0.00 C ATOM 604 C ILE A 39 -2.581 -4.678 -2.387 1.00 0.00 C ATOM 605 O ILE A 39 -2.441 -4.994 -3.552 1.00 0.00 O ATOM 606 CB ILE A 39 -1.225 -5.663 -0.516 1.00 0.00 C ATOM 607 CG1 ILE A 39 -1.212 -6.729 0.583 1.00 0.00 C ATOM 608 CG2 ILE A 39 -1.056 -4.280 0.115 1.00 0.00 C ATOM 609 CD1 ILE A 39 -0.012 -7.655 0.380 1.00 0.00 C ATOM 0 H ILE A 39 -1.805 -7.377 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.403 -5.512 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.406 -5.847 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.158 -6.255 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.137 -7.304 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.108 -4.238 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.064 -3.520 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.875 -4.095 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.002 -8.414 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.086 -8.138 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.909 -7.073 0.427 1.00 0.00 H new ATOM 621 N GLU A 40 -2.759 -3.432 -2.038 1.00 0.00 N ATOM 622 CA GLU A 40 -2.794 -2.361 -3.075 1.00 0.00 C ATOM 623 C GLU A 40 -2.089 -1.104 -2.556 1.00 0.00 C ATOM 624 O GLU A 40 -2.331 -0.657 -1.452 1.00 0.00 O ATOM 625 CB GLU A 40 -4.280 -2.083 -3.308 1.00 0.00 C ATOM 626 CG GLU A 40 -4.437 -0.799 -4.125 1.00 0.00 C ATOM 627 CD GLU A 40 -5.688 -0.900 -5.001 1.00 0.00 C ATOM 628 OE1 GLU A 40 -6.751 -1.146 -4.457 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.559 -0.730 -6.202 1.00 0.00 O ATOM 0 H GLU A 40 -2.882 -3.109 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.286 -2.657 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.739 -2.920 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.797 -1.985 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.515 0.061 -3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.556 -0.642 -4.747 1.00 0.00 H new ATOM 636 N ARG A 41 -1.221 -0.529 -3.343 1.00 0.00 N ATOM 637 CA ARG A 41 -0.504 0.699 -2.891 1.00 0.00 C ATOM 638 C ARG A 41 -0.786 1.860 -3.849 1.00 0.00 C ATOM 639 O ARG A 41 -1.720 1.822 -4.626 1.00 0.00 O ATOM 640 CB ARG A 41 0.984 0.332 -2.911 1.00 0.00 C ATOM 641 CG ARG A 41 1.304 -0.501 -4.156 1.00 0.00 C ATOM 642 CD ARG A 41 0.914 0.281 -5.414 1.00 0.00 C ATOM 643 NE ARG A 41 1.554 -0.457 -6.539 1.00 0.00 N ATOM 644 CZ ARG A 41 0.872 -1.346 -7.207 1.00 0.00 C ATOM 645 NH1 ARG A 41 0.611 -2.506 -6.672 1.00 0.00 N ATOM 646 NH2 ARG A 41 0.450 -1.072 -8.411 1.00 0.00 N ATOM 0 H ARG A 41 -0.977 -0.855 -4.278 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.826 1.019 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.590 1.238 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.240 -0.229 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.367 -0.742 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.763 -1.447 -4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.169 0.322 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.268 1.311 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 41 2.525 -0.267 -6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.940 -2.719 -5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.078 -3.200 -7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.654 -0.164 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.083 -1.766 -8.935 1.00 0.00 H new ATOM 660 N GLY A 42 0.012 2.891 -3.798 1.00 0.00 N ATOM 661 CA GLY A 42 -0.211 4.051 -4.707 1.00 0.00 C ATOM 662 C GLY A 42 0.094 5.352 -3.961 1.00 0.00 C ATOM 663 O GLY A 42 1.094 5.468 -3.282 1.00 0.00 O ATOM 0 H GLY A 42 0.808 2.980 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.428 3.965 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.242 4.056 -5.061 1.00 0.00 H new ATOM 667 N CYS A 43 -0.760 6.330 -4.083 1.00 0.00 N ATOM 668 CA CYS A 43 -0.516 7.624 -3.382 1.00 0.00 C ATOM 669 C CYS A 43 -1.841 8.209 -2.883 1.00 0.00 C ATOM 670 O CYS A 43 -2.705 8.564 -3.660 1.00 0.00 O ATOM 671 CB CYS A 43 0.106 8.542 -4.436 1.00 0.00 C ATOM 672 SG CYS A 43 1.403 7.652 -5.334 1.00 0.00 S ATOM 0 H CYS A 43 -1.616 6.290 -4.637 1.00 0.00 H new ATOM 0 HA CYS A 43 0.132 7.505 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.660 8.885 -5.131 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.524 9.429 -3.959 1.00 0.00 H new ATOM 677 N ALA A 44 -2.008 8.314 -1.593 1.00 0.00 N ATOM 678 CA ALA A 44 -3.278 8.877 -1.052 1.00 0.00 C ATOM 679 C ALA A 44 -3.064 9.413 0.365 1.00 0.00 C ATOM 680 O ALA A 44 -1.962 9.424 0.877 1.00 0.00 O ATOM 681 CB ALA A 44 -4.256 7.702 -1.037 1.00 0.00 C ATOM 0 H ALA A 44 -1.322 8.035 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.646 9.710 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.219 8.035 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.384 7.322 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.863 6.910 -0.399 1.00 0.00 H new ATOM 687 N ALA A 45 -4.112 9.859 1.002 1.00 0.00 N ATOM 688 CA ALA A 45 -3.974 10.395 2.386 1.00 0.00 C ATOM 689 C ALA A 45 -5.279 10.193 3.159 1.00 0.00 C ATOM 690 O ALA A 45 -5.517 10.820 4.173 1.00 0.00 O ATOM 691 CB ALA A 45 -3.685 11.885 2.205 1.00 0.00 C ATOM 0 H ALA A 45 -5.059 9.875 0.623 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.188 9.893 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.570 12.355 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.767 12.010 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.512 12.354 1.672 1.00 0.00 H new ATOM 697 N THR A 46 -6.129 9.325 2.684 1.00 0.00 N ATOM 698 CA THR A 46 -7.421 9.082 3.385 1.00 0.00 C ATOM 699 C THR A 46 -7.308 7.858 4.297 1.00 0.00 C ATOM 700 O THR A 46 -7.936 7.789 5.335 1.00 0.00 O ATOM 701 CB THR A 46 -8.434 8.827 2.268 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.135 9.664 1.160 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.845 9.130 2.775 1.00 0.00 C ATOM 0 H THR A 46 -5.984 8.772 1.839 1.00 0.00 H new ATOM 0 HA THR A 46 -7.712 9.921 4.017 1.00 0.00 H new ATOM 0 HB THR A 46 -8.380 7.783 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.782 9.501 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.565 8.948 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.073 8.485 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.904 10.173 3.085 1.00 0.00 H new ATOM 711 N CYS A 47 -6.504 6.899 3.917 1.00 0.00 N ATOM 712 CA CYS A 47 -6.330 5.676 4.746 1.00 0.00 C ATOM 713 C CYS A 47 -7.652 5.277 5.409 1.00 0.00 C ATOM 714 O CYS A 47 -7.900 5.614 6.551 1.00 0.00 O ATOM 715 CB CYS A 47 -5.288 6.056 5.798 1.00 0.00 C ATOM 716 SG CYS A 47 -3.942 7.004 5.035 1.00 0.00 S ATOM 0 H CYS A 47 -5.956 6.914 3.057 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.015 4.820 4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.756 6.645 6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.889 5.156 6.266 1.00 0.00 H new ATOM 721 N PRO A 48 -8.458 4.571 4.665 1.00 0.00 N ATOM 722 CA PRO A 48 -9.772 4.117 5.180 1.00 0.00 C ATOM 723 C PRO A 48 -9.587 2.995 6.205 1.00 0.00 C ATOM 724 O PRO A 48 -8.492 2.735 6.663 1.00 0.00 O ATOM 725 CB PRO A 48 -10.487 3.603 3.933 1.00 0.00 C ATOM 726 CG PRO A 48 -9.392 3.231 2.985 1.00 0.00 C ATOM 727 CD PRO A 48 -8.222 4.132 3.285 1.00 0.00 C ATOM 0 HA PRO A 48 -10.327 4.904 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.117 2.744 4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.136 4.368 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.114 2.184 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.718 3.354 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.275 3.601 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.183 4.977 2.598 1.00 0.00 H new ATOM 735 N LYS A 49 -10.649 2.330 6.569 1.00 0.00 N ATOM 736 CA LYS A 49 -10.533 1.226 7.565 1.00 0.00 C ATOM 737 C LYS A 49 -10.816 -0.122 6.897 1.00 0.00 C ATOM 738 O LYS A 49 -11.059 -0.197 5.708 1.00 0.00 O ATOM 739 CB LYS A 49 -11.594 1.533 8.622 1.00 0.00 C ATOM 740 CG LYS A 49 -11.206 2.802 9.384 1.00 0.00 C ATOM 741 CD LYS A 49 -12.378 3.785 9.371 1.00 0.00 C ATOM 742 CE LYS A 49 -13.656 3.063 9.807 1.00 0.00 C ATOM 743 NZ LYS A 49 -14.388 4.052 10.646 1.00 0.00 N ATOM 0 H LYS A 49 -11.592 2.503 6.220 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.534 1.163 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.567 1.664 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.686 0.695 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.937 2.554 10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.329 3.260 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.173 4.620 10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.506 4.201 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.251 2.758 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.426 2.159 10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.277 3.631 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.800 4.318 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.599 4.899 10.080 1.00 0.00 H new ATOM 757 N GLY A 50 -10.789 -1.186 7.651 1.00 0.00 N ATOM 758 CA GLY A 50 -11.058 -2.526 7.058 1.00 0.00 C ATOM 759 C GLY A 50 -12.300 -3.133 7.714 1.00 0.00 C ATOM 760 O GLY A 50 -13.149 -2.431 8.225 1.00 0.00 O ATOM 0 H GLY A 50 -10.592 -1.185 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.209 -2.436 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.199 -3.180 7.206 1.00 0.00 H new ATOM 764 N SER A 51 -12.412 -4.433 7.703 1.00 0.00 N ATOM 765 CA SER A 51 -13.600 -5.085 8.327 1.00 0.00 C ATOM 766 C SER A 51 -13.308 -6.561 8.607 1.00 0.00 C ATOM 767 O SER A 51 -12.170 -6.988 8.609 1.00 0.00 O ATOM 768 CB SER A 51 -14.716 -4.944 7.293 1.00 0.00 C ATOM 769 OG SER A 51 -15.971 -4.904 7.960 1.00 0.00 O ATOM 0 H SER A 51 -11.733 -5.072 7.289 1.00 0.00 H new ATOM 0 HA SER A 51 -13.868 -4.630 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.573 -4.036 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.689 -5.781 6.595 1.00 0.00 H new ATOM 0 HG SER A 51 -16.689 -4.812 7.300 1.00 0.00 H new ATOM 775 N VAL A 52 -14.325 -7.345 8.840 1.00 0.00 N ATOM 776 CA VAL A 52 -14.099 -8.793 9.119 1.00 0.00 C ATOM 777 C VAL A 52 -13.332 -9.440 7.963 1.00 0.00 C ATOM 778 O VAL A 52 -12.563 -10.361 8.155 1.00 0.00 O ATOM 779 CB VAL A 52 -15.498 -9.398 9.237 1.00 0.00 C ATOM 780 CG1 VAL A 52 -15.383 -10.911 9.430 1.00 0.00 C ATOM 781 CG2 VAL A 52 -16.218 -8.784 10.440 1.00 0.00 C ATOM 0 H VAL A 52 -15.301 -7.047 8.849 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.509 -8.952 10.022 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.063 -9.189 8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.380 -11.344 9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.868 -11.349 8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.819 -11.120 10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.216 -9.214 10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.653 -8.994 11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.299 -7.705 10.304 1.00 0.00 H new ATOM 791 N TYR A 53 -13.534 -8.966 6.765 1.00 0.00 N ATOM 792 CA TYR A 53 -12.814 -9.556 5.599 1.00 0.00 C ATOM 793 C TYR A 53 -11.303 -9.507 5.833 1.00 0.00 C ATOM 794 O TYR A 53 -10.586 -10.435 5.520 1.00 0.00 O ATOM 795 CB TYR A 53 -13.204 -8.680 4.408 1.00 0.00 C ATOM 796 CG TYR A 53 -14.362 -9.312 3.675 1.00 0.00 C ATOM 797 CD1 TYR A 53 -14.129 -10.326 2.739 1.00 0.00 C ATOM 798 CD2 TYR A 53 -15.670 -8.884 3.931 1.00 0.00 C ATOM 799 CE1 TYR A 53 -15.203 -10.913 2.060 1.00 0.00 C ATOM 800 CE2 TYR A 53 -16.745 -9.470 3.252 1.00 0.00 C ATOM 801 CZ TYR A 53 -16.511 -10.485 2.316 1.00 0.00 C ATOM 802 OH TYR A 53 -17.570 -11.064 1.647 1.00 0.00 O ATOM 0 H TYR A 53 -14.165 -8.197 6.542 1.00 0.00 H new ATOM 0 HA TYR A 53 -13.075 -10.602 5.436 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.478 -7.682 4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -12.354 -8.563 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -13.120 -10.656 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -15.850 -8.101 4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -15.023 -11.696 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -17.754 -9.140 3.450 1.00 0.00 H new ATOM 0 HH TYR A 53 -18.408 -10.652 1.943 1.00 0.00 H new ATOM 812 N GLY A 54 -10.814 -8.428 6.381 1.00 0.00 N ATOM 813 CA GLY A 54 -9.350 -8.319 6.634 1.00 0.00 C ATOM 814 C GLY A 54 -8.761 -7.215 5.755 1.00 0.00 C ATOM 815 O GLY A 54 -7.999 -7.473 4.845 1.00 0.00 O ATOM 0 H GLY A 54 -11.365 -7.618 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.167 -8.097 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.861 -9.269 6.419 1.00 0.00 H new ATOM 819 N LEU A 55 -9.110 -5.986 6.019 1.00 0.00 N ATOM 820 CA LEU A 55 -8.570 -4.864 5.197 1.00 0.00 C ATOM 821 C LEU A 55 -7.541 -4.066 6.003 1.00 0.00 C ATOM 822 O LEU A 55 -7.886 -3.204 6.786 1.00 0.00 O ATOM 823 CB LEU A 55 -9.785 -3.997 4.869 1.00 0.00 C ATOM 824 CG LEU A 55 -10.106 -4.109 3.377 1.00 0.00 C ATOM 825 CD1 LEU A 55 -11.494 -3.525 3.107 1.00 0.00 C ATOM 826 CD2 LEU A 55 -9.061 -3.330 2.573 1.00 0.00 C ATOM 0 H LEU A 55 -9.745 -5.709 6.768 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.064 -5.215 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.643 -4.316 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.585 -2.958 5.132 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.090 -5.157 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.722 -3.605 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.239 -4.077 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.512 -2.476 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.288 -3.408 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.079 -2.282 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.071 -3.745 2.765 1.00 0.00 H new ATOM 838 N TYR A 56 -6.280 -4.347 5.818 1.00 0.00 N ATOM 839 CA TYR A 56 -5.232 -3.601 6.575 1.00 0.00 C ATOM 840 C TYR A 56 -4.875 -2.304 5.845 1.00 0.00 C ATOM 841 O TYR A 56 -4.380 -2.320 4.737 1.00 0.00 O ATOM 842 CB TYR A 56 -4.028 -4.544 6.615 1.00 0.00 C ATOM 843 CG TYR A 56 -3.259 -4.323 7.896 1.00 0.00 C ATOM 844 CD1 TYR A 56 -3.239 -3.056 8.491 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.568 -5.386 8.489 1.00 0.00 C ATOM 846 CE1 TYR A 56 -2.527 -2.851 9.679 1.00 0.00 C ATOM 847 CE2 TYR A 56 -1.855 -5.181 9.677 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.835 -3.914 10.272 1.00 0.00 C ATOM 849 OH TYR A 56 -1.133 -3.713 11.443 1.00 0.00 O ATOM 0 H TYR A 56 -5.930 -5.059 5.177 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.564 -3.321 7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.361 -5.580 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.383 -4.364 5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.773 -2.236 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.585 -6.364 8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.512 -1.873 10.138 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.321 -6.001 10.134 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.712 -4.553 11.720 1.00 0.00 H new ATOM 859 N VAL A 57 -5.126 -1.178 6.459 1.00 0.00 N ATOM 860 CA VAL A 57 -4.803 0.121 5.798 1.00 0.00 C ATOM 861 C VAL A 57 -3.642 0.811 6.520 1.00 0.00 C ATOM 862 O VAL A 57 -3.649 0.959 7.726 1.00 0.00 O ATOM 863 CB VAL A 57 -6.079 0.953 5.923 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.785 2.400 5.524 1.00 0.00 C ATOM 865 CG2 VAL A 57 -7.154 0.379 4.998 1.00 0.00 C ATOM 0 H VAL A 57 -5.540 -1.101 7.388 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.497 -0.009 4.760 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.432 0.924 6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.695 2.994 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.018 2.810 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.432 2.429 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.064 0.972 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.801 0.408 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.364 -0.653 5.280 1.00 0.00 H new ATOM 875 N LEU A 58 -2.646 1.237 5.791 1.00 0.00 N ATOM 876 CA LEU A 58 -1.488 1.919 6.442 1.00 0.00 C ATOM 877 C LEU A 58 -0.800 2.866 5.455 1.00 0.00 C ATOM 878 O LEU A 58 -0.363 2.463 4.395 1.00 0.00 O ATOM 879 CB LEU A 58 -0.540 0.791 6.847 1.00 0.00 C ATOM 880 CG LEU A 58 0.560 1.349 7.751 1.00 0.00 C ATOM 881 CD1 LEU A 58 -0.040 1.740 9.102 1.00 0.00 C ATOM 882 CD2 LEU A 58 1.637 0.282 7.960 1.00 0.00 C ATOM 0 H LEU A 58 -2.583 1.143 4.777 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.796 2.522 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.091 0.008 7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.100 0.335 5.960 1.00 0.00 H new ATOM 0 HG LEU A 58 1.005 2.228 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.744 2.138 9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.808 2.499 8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.484 0.862 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.422 0.678 8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.193 -0.597 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.065 0.003 6.997 1.00 0.00 H new ATOM 894 N CYS A 59 -0.695 4.121 5.799 1.00 0.00 N ATOM 895 CA CYS A 59 -0.030 5.094 4.885 1.00 0.00 C ATOM 896 C CYS A 59 1.286 5.576 5.505 1.00 0.00 C ATOM 897 O CYS A 59 1.384 5.770 6.701 1.00 0.00 O ATOM 898 CB CYS A 59 -1.020 6.252 4.748 1.00 0.00 C ATOM 899 SG CYS A 59 -2.663 5.593 4.361 1.00 0.00 S ATOM 0 H CYS A 59 -1.041 4.515 6.674 1.00 0.00 H new ATOM 0 HA CYS A 59 0.215 4.657 3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.055 6.827 5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.694 6.933 3.962 1.00 0.00 H new ATOM 904 N CYS A 60 2.301 5.760 4.705 1.00 0.00 N ATOM 905 CA CYS A 60 3.611 6.217 5.257 1.00 0.00 C ATOM 906 C CYS A 60 4.081 7.495 4.554 1.00 0.00 C ATOM 907 O CYS A 60 3.538 7.896 3.543 1.00 0.00 O ATOM 908 CB CYS A 60 4.582 5.078 4.962 1.00 0.00 C ATOM 909 SG CYS A 60 5.303 4.468 6.504 1.00 0.00 S ATOM 0 H CYS A 60 2.281 5.614 3.696 1.00 0.00 H new ATOM 0 HA CYS A 60 3.542 6.445 6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.062 4.269 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.370 5.425 4.294 1.00 0.00 H new ATOM 914 N THR A 61 5.092 8.136 5.084 1.00 0.00 N ATOM 915 CA THR A 61 5.601 9.378 4.453 1.00 0.00 C ATOM 916 C THR A 61 7.094 9.577 4.759 1.00 0.00 C ATOM 917 O THR A 61 7.616 9.056 5.725 1.00 0.00 O ATOM 918 CB THR A 61 4.775 10.496 5.086 1.00 0.00 C ATOM 919 OG1 THR A 61 4.374 10.104 6.391 1.00 0.00 O ATOM 920 CG2 THR A 61 3.538 10.766 4.229 1.00 0.00 C ATOM 0 H THR A 61 5.584 7.847 5.929 1.00 0.00 H new ATOM 0 HA THR A 61 5.510 9.353 3.367 1.00 0.00 H new ATOM 0 HB THR A 61 5.376 11.403 5.147 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.845 10.821 6.800 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.949 11.564 4.681 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.847 11.066 3.228 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.934 9.861 4.166 1.00 0.00 H new ATOM 928 N THR A 62 7.774 10.346 3.946 1.00 0.00 N ATOM 929 CA THR A 62 9.230 10.617 4.177 1.00 0.00 C ATOM 930 C THR A 62 10.077 9.338 4.096 1.00 0.00 C ATOM 931 O THR A 62 9.653 8.270 4.485 1.00 0.00 O ATOM 932 CB THR A 62 9.300 11.213 5.584 1.00 0.00 C ATOM 933 OG1 THR A 62 8.388 12.298 5.684 1.00 0.00 O ATOM 934 CG2 THR A 62 10.720 11.711 5.857 1.00 0.00 C ATOM 0 H THR A 62 7.380 10.803 3.123 1.00 0.00 H new ATOM 0 HA THR A 62 9.630 11.284 3.414 1.00 0.00 H new ATOM 0 HB THR A 62 9.037 10.450 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.431 12.679 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.770 12.136 6.860 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.419 10.878 5.780 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.985 12.475 5.126 1.00 0.00 H new ATOM 942 N ASP A 63 11.287 9.468 3.601 1.00 0.00 N ATOM 943 CA ASP A 63 12.220 8.297 3.489 1.00 0.00 C ATOM 944 C ASP A 63 11.470 6.995 3.195 1.00 0.00 C ATOM 945 O ASP A 63 10.906 6.383 4.078 1.00 0.00 O ATOM 946 CB ASP A 63 12.907 8.216 4.853 1.00 0.00 C ATOM 947 CG ASP A 63 13.745 9.475 5.081 1.00 0.00 C ATOM 948 OD1 ASP A 63 13.530 10.443 4.370 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.588 9.451 5.963 1.00 0.00 O ATOM 0 H ASP A 63 11.674 10.350 3.265 1.00 0.00 H new ATOM 0 HA ASP A 63 12.923 8.428 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.161 8.116 5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.542 7.331 4.900 1.00 0.00 H new ATOM 954 N ASP A 64 11.478 6.556 1.961 1.00 0.00 N ATOM 955 CA ASP A 64 10.772 5.280 1.614 1.00 0.00 C ATOM 956 C ASP A 64 9.280 5.387 1.955 1.00 0.00 C ATOM 957 O ASP A 64 8.449 5.513 1.077 1.00 0.00 O ATOM 958 CB ASP A 64 11.444 4.209 2.473 1.00 0.00 C ATOM 959 CG ASP A 64 10.980 2.825 2.018 1.00 0.00 C ATOM 960 OD1 ASP A 64 9.966 2.753 1.344 1.00 0.00 O ATOM 961 OD2 ASP A 64 11.648 1.859 2.351 1.00 0.00 O ATOM 0 H ASP A 64 11.940 7.022 1.180 1.00 0.00 H new ATOM 0 HA ASP A 64 10.837 5.049 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.528 4.287 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.195 4.361 3.523 1.00 0.00 H new ATOM 966 N CYS A 65 8.928 5.360 3.218 1.00 0.00 N ATOM 967 CA CYS A 65 7.502 5.486 3.596 1.00 0.00 C ATOM 968 C CYS A 65 6.828 6.577 2.753 1.00 0.00 C ATOM 969 O CYS A 65 5.632 6.564 2.553 1.00 0.00 O ATOM 970 CB CYS A 65 7.536 5.892 5.070 1.00 0.00 C ATOM 971 SG CYS A 65 7.283 4.435 6.113 1.00 0.00 S ATOM 0 H CYS A 65 9.575 5.255 3.999 1.00 0.00 H new ATOM 0 HA CYS A 65 6.939 4.567 3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 65 8.493 6.358 5.306 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.762 6.633 5.271 1.00 0.00 H new ATOM 976 N ASN A 66 7.597 7.521 2.265 1.00 0.00 N ATOM 977 CA ASN A 66 7.026 8.622 1.431 1.00 0.00 C ATOM 978 C ASN A 66 5.878 8.106 0.557 1.00 0.00 C ATOM 979 O ASN A 66 6.150 7.679 -0.552 1.00 0.00 O ATOM 980 CB ASN A 66 8.190 9.087 0.555 1.00 0.00 C ATOM 981 CG ASN A 66 8.165 10.609 0.429 1.00 0.00 C ATOM 982 OD1 ASN A 66 7.495 11.283 1.187 1.00 0.00 O ATOM 983 ND2 ASN A 66 8.873 11.184 -0.504 1.00 0.00 N ATOM 984 OXT ASN A 66 4.748 8.150 1.013 1.00 0.00 O ATOM 0 H ASN A 66 8.605 7.575 2.411 1.00 0.00 H new ATOM 0 HA ASN A 66 6.615 9.425 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.136 8.764 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.120 8.630 -0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.865 12.200 -0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.435 10.618 -1.140 1.00 0.00 H new