USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 8 SER OG : rot 22:sc= -0.495 USER MOD Set 1.2: A 38 ASN : amide:sc= 0.514 K(o=0.019,f=-7.3!) USER MOD Single : A 1 ILE N :NH3+ -178:sc= -0.43 (180deg=-0.449) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 56:sc= 1.22 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.44 USER MOD Single : A 23 ASN : amide:sc= -2.42 K(o=-2.4,f=-6.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.11 K(o=-1.1,f=-3) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.67 K(o=-2.7,f=-4.1) USER MOD Single : A 49 MET CE :methyl -158:sc= -0.02 (180deg=-0.439) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 6.175 11.867 3.815 1.00 0.00 N ATOM 2 CA ILE A 1 6.217 12.249 2.379 1.00 0.00 C ATOM 3 C ILE A 1 7.132 11.316 1.589 1.00 0.00 C ATOM 4 O ILE A 1 6.942 11.116 0.390 1.00 0.00 O ATOM 5 CB ILE A 1 6.693 13.708 2.203 1.00 0.00 C ATOM 6 CG1 ILE A 1 6.609 14.130 0.729 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.105 13.887 2.748 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.771 13.659 -0.126 1.00 0.00 C ATOM 0 H1 ILE A 1 5.520 12.496 4.322 1.00 0.00 H new ATOM 0 H2 ILE A 1 5.849 10.883 3.903 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.127 11.954 4.225 1.00 0.00 H new ATOM 0 HA ILE A 1 5.202 12.161 1.992 1.00 0.00 H new ATOM 0 HB ILE A 1 6.031 14.357 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 1 5.682 13.743 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.554 15.217 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.419 14.922 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.120 13.639 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.788 13.228 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 1 7.630 14.001 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 1 8.702 14.067 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.817 12.570 -0.110 1.00 0.00 H new ATOM 22 N ASP A 2 8.121 10.747 2.270 1.00 0.00 N ATOM 23 CA ASP A 2 9.063 9.835 1.629 1.00 0.00 C ATOM 24 C ASP A 2 8.516 8.410 1.604 1.00 0.00 C ATOM 25 O ASP A 2 8.890 7.607 0.750 1.00 0.00 O ATOM 26 CB ASP A 2 10.409 9.864 2.356 1.00 0.00 C ATOM 27 CG ASP A 2 11.316 10.968 1.850 1.00 0.00 C ATOM 28 OD1 ASP A 2 10.830 12.106 1.682 1.00 0.00 O ATOM 29 OD2 ASP A 2 12.513 10.694 1.620 1.00 0.00 O ATOM 0 H ASP A 2 8.291 10.900 3.264 1.00 0.00 H new ATOM 0 HA ASP A 2 9.205 10.167 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.239 9.998 3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.907 8.903 2.231 1.00 0.00 H new ATOM 34 N THR A 3 7.629 8.102 2.547 1.00 0.00 N ATOM 35 CA THR A 3 7.034 6.773 2.630 1.00 0.00 C ATOM 36 C THR A 3 5.832 6.656 1.701 1.00 0.00 C ATOM 37 O THR A 3 5.608 5.614 1.085 1.00 0.00 O ATOM 38 CB THR A 3 6.614 6.469 4.068 1.00 0.00 C ATOM 39 OG1 THR A 3 7.699 6.656 4.958 1.00 0.00 O ATOM 40 CG2 THR A 3 6.103 5.058 4.256 1.00 0.00 C ATOM 0 H THR A 3 7.308 8.754 3.263 1.00 0.00 H new ATOM 0 HA THR A 3 7.784 6.046 2.317 1.00 0.00 H new ATOM 0 HB THR A 3 5.802 7.164 4.285 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.409 6.458 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.822 4.909 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.233 4.898 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.885 4.349 3.986 1.00 0.00 H new ATOM 48 N CYS A 4 5.060 7.732 1.602 1.00 0.00 N ATOM 49 CA CYS A 4 3.881 7.750 0.745 1.00 0.00 C ATOM 50 C CYS A 4 4.265 7.798 -0.734 1.00 0.00 C ATOM 51 O CYS A 4 3.403 7.705 -1.608 1.00 0.00 O ATOM 52 CB CYS A 4 2.995 8.947 1.091 1.00 0.00 C ATOM 53 SG CYS A 4 1.761 8.609 2.389 1.00 0.00 S ATOM 0 H CYS A 4 5.229 8.603 2.105 1.00 0.00 H new ATOM 0 HA CYS A 4 3.328 6.827 0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.629 9.773 1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.478 9.275 0.189 1.00 0.00 H new ATOM 58 N ARG A 5 5.559 7.951 -1.014 1.00 0.00 N ATOM 59 CA ARG A 5 6.036 8.017 -2.390 1.00 0.00 C ATOM 60 C ARG A 5 6.923 6.821 -2.739 1.00 0.00 C ATOM 61 O ARG A 5 7.206 6.578 -3.913 1.00 0.00 O ATOM 62 CB ARG A 5 6.806 9.319 -2.620 1.00 0.00 C ATOM 63 CG ARG A 5 8.087 9.422 -1.808 1.00 0.00 C ATOM 64 CD ARG A 5 9.313 9.149 -2.664 1.00 0.00 C ATOM 65 NE ARG A 5 10.312 8.355 -1.953 1.00 0.00 N ATOM 66 CZ ARG A 5 11.332 7.743 -2.548 1.00 0.00 C ATOM 67 NH1 ARG A 5 11.493 7.832 -3.862 1.00 0.00 N ATOM 68 NH2 ARG A 5 12.196 7.041 -1.827 1.00 0.00 N ATOM 0 H ARG A 5 6.291 8.031 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 5 5.163 7.990 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.050 9.405 -3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.160 10.161 -2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.162 10.417 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.053 8.712 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.012 8.625 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.756 10.095 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 5 10.222 8.265 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.833 8.372 -4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.277 7.361 -4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.078 6.970 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.978 6.572 -2.283 1.00 0.00 H new ATOM 82 N LEU A 6 7.360 6.072 -1.727 1.00 0.00 N ATOM 83 CA LEU A 6 8.212 4.911 -1.964 1.00 0.00 C ATOM 84 C LEU A 6 7.378 3.703 -2.388 1.00 0.00 C ATOM 85 O LEU A 6 6.282 3.484 -1.872 1.00 0.00 O ATOM 86 CB LEU A 6 9.044 4.578 -0.717 1.00 0.00 C ATOM 87 CG LEU A 6 8.290 3.892 0.428 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.088 2.412 0.132 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.044 4.072 1.738 1.00 0.00 C ATOM 0 H LEU A 6 7.140 6.247 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 6 8.896 5.158 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.872 3.936 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.479 5.502 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 6 7.309 4.358 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.551 1.946 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.510 2.300 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.058 1.929 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.498 3.580 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.037 3.630 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.138 5.135 1.960 1.00 0.00 H new ATOM 101 N PRO A 7 7.888 2.901 -3.342 1.00 0.00 N ATOM 102 CA PRO A 7 7.185 1.717 -3.836 1.00 0.00 C ATOM 103 C PRO A 7 7.346 0.514 -2.911 1.00 0.00 C ATOM 104 O PRO A 7 8.463 0.121 -2.575 1.00 0.00 O ATOM 105 CB PRO A 7 7.864 1.454 -5.177 1.00 0.00 C ATOM 106 CG PRO A 7 9.261 1.935 -4.986 1.00 0.00 C ATOM 107 CD PRO A 7 9.187 3.089 -4.019 1.00 0.00 C ATOM 0 HA PRO A 7 6.109 1.875 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.840 0.395 -5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.367 1.989 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.895 1.140 -4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.696 2.251 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 7 10.014 3.069 -3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.233 4.047 -4.536 1.00 0.00 H new ATOM 115 N SER A 8 6.223 -0.068 -2.505 1.00 0.00 N ATOM 116 CA SER A 8 6.238 -1.228 -1.621 1.00 0.00 C ATOM 117 C SER A 8 6.225 -2.523 -2.430 1.00 0.00 C ATOM 118 O SER A 8 5.631 -2.587 -3.507 1.00 0.00 O ATOM 119 CB SER A 8 5.037 -1.188 -0.672 1.00 0.00 C ATOM 120 OG SER A 8 5.442 -0.899 0.656 1.00 0.00 O ATOM 0 H SER A 8 5.290 0.245 -2.774 1.00 0.00 H new ATOM 0 HA SER A 8 7.155 -1.198 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.327 -0.433 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.519 -2.147 -0.696 1.00 0.00 H new ATOM 0 HG SER A 8 6.311 -0.447 0.642 1.00 0.00 H new ATOM 126 N ASP A 9 6.880 -3.555 -1.905 1.00 0.00 N ATOM 127 CA ASP A 9 6.939 -4.846 -2.583 1.00 0.00 C ATOM 128 C ASP A 9 5.772 -5.734 -2.158 1.00 0.00 C ATOM 129 O ASP A 9 5.271 -5.627 -1.039 1.00 0.00 O ATOM 130 CB ASP A 9 8.267 -5.545 -2.285 1.00 0.00 C ATOM 131 CG ASP A 9 9.295 -5.322 -3.376 1.00 0.00 C ATOM 132 OD1 ASP A 9 9.943 -4.254 -3.373 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.454 -6.216 -4.233 1.00 0.00 O ATOM 0 H ASP A 9 7.376 -3.522 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 9 6.867 -4.670 -3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.662 -5.180 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.093 -6.614 -2.167 1.00 0.00 H new ATOM 138 N ARG A 10 5.338 -6.601 -3.066 1.00 0.00 N ATOM 139 CA ARG A 10 4.221 -7.501 -2.795 1.00 0.00 C ATOM 140 C ARG A 10 4.691 -8.824 -2.199 1.00 0.00 C ATOM 141 O ARG A 10 3.909 -9.543 -1.578 1.00 0.00 O ATOM 142 CB ARG A 10 3.439 -7.774 -4.079 1.00 0.00 C ATOM 143 CG ARG A 10 2.708 -6.560 -4.624 1.00 0.00 C ATOM 144 CD ARG A 10 2.642 -6.595 -6.142 1.00 0.00 C ATOM 145 NE ARG A 10 1.916 -7.763 -6.635 1.00 0.00 N ATOM 146 CZ ARG A 10 1.616 -7.958 -7.918 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.953 -7.053 -8.829 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.980 -9.058 -8.293 1.00 0.00 N ATOM 0 H ARG A 10 5.742 -6.700 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 10 3.577 -7.008 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.126 -8.144 -4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.716 -8.567 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.699 -6.525 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.215 -5.651 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.157 -5.688 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.653 -6.600 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 10 1.623 -8.468 -5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.444 -6.204 -8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.721 -7.206 -9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.719 -9.758 -7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.751 -9.205 -9.276 1.00 0.00 H new ATOM 162 N GLY A 11 5.963 -9.150 -2.394 1.00 0.00 N ATOM 163 CA GLY A 11 6.489 -10.394 -1.870 1.00 0.00 C ATOM 164 C GLY A 11 5.769 -11.606 -2.425 1.00 0.00 C ATOM 165 O GLY A 11 4.607 -11.850 -2.100 1.00 0.00 O ATOM 0 H GLY A 11 6.636 -8.578 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.550 -10.465 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.405 -10.391 -0.783 1.00 0.00 H new ATOM 169 N ARG A 12 6.460 -12.372 -3.262 1.00 0.00 N ATOM 170 CA ARG A 12 5.877 -13.569 -3.856 1.00 0.00 C ATOM 171 C ARG A 12 5.805 -14.713 -2.844 1.00 0.00 C ATOM 172 O ARG A 12 5.283 -15.786 -3.146 1.00 0.00 O ATOM 173 CB ARG A 12 6.690 -14.004 -5.078 1.00 0.00 C ATOM 174 CG ARG A 12 6.582 -13.044 -6.252 1.00 0.00 C ATOM 175 CD ARG A 12 6.349 -13.784 -7.560 1.00 0.00 C ATOM 176 NE ARG A 12 5.629 -12.965 -8.532 1.00 0.00 N ATOM 177 CZ ARG A 12 5.591 -13.223 -9.837 1.00 0.00 C ATOM 178 NH1 ARG A 12 6.227 -14.278 -10.331 1.00 0.00 N ATOM 179 NH2 ARG A 12 4.912 -12.426 -10.652 1.00 0.00 N ATOM 0 H ARG A 12 7.422 -12.186 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 12 4.861 -13.326 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.738 -14.099 -4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.355 -14.992 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.764 -12.346 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.495 -12.453 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.308 -14.087 -7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.784 -14.696 -7.365 1.00 0.00 H new ATOM 0 HE ARG A 12 5.125 -12.147 -8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.749 -14.896 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.194 -14.471 -11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.419 -11.615 -10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.883 -12.624 -11.652 1.00 0.00 H new ATOM 193 N CYS A 13 6.329 -14.479 -1.640 1.00 0.00 N ATOM 194 CA CYS A 13 6.321 -15.493 -0.589 1.00 0.00 C ATOM 195 C CYS A 13 4.925 -16.088 -0.408 1.00 0.00 C ATOM 196 O CYS A 13 4.668 -17.221 -0.813 1.00 0.00 O ATOM 197 CB CYS A 13 6.812 -14.893 0.734 1.00 0.00 C ATOM 198 SG CYS A 13 8.347 -13.918 0.594 1.00 0.00 S ATOM 0 H CYS A 13 6.764 -13.596 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 13 6.997 -16.294 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.028 -14.257 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.973 -15.701 1.448 1.00 0.00 H new ATOM 203 N LYS A 14 4.027 -15.318 0.201 1.00 0.00 N ATOM 204 CA LYS A 14 2.661 -15.772 0.431 1.00 0.00 C ATOM 205 C LYS A 14 1.674 -15.005 -0.446 1.00 0.00 C ATOM 206 O LYS A 14 0.573 -14.673 -0.010 1.00 0.00 O ATOM 207 CB LYS A 14 2.288 -15.603 1.906 1.00 0.00 C ATOM 208 CG LYS A 14 2.670 -16.795 2.770 1.00 0.00 C ATOM 209 CD LYS A 14 4.044 -16.612 3.395 1.00 0.00 C ATOM 210 CE LYS A 14 4.107 -17.215 4.789 1.00 0.00 C ATOM 211 NZ LYS A 14 5.052 -16.477 5.672 1.00 0.00 N ATOM 0 H LYS A 14 4.222 -14.377 0.544 1.00 0.00 H new ATOM 0 HA LYS A 14 2.607 -16.828 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.777 -14.710 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.213 -15.438 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.927 -16.929 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.662 -17.702 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.798 -17.079 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.283 -15.550 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.112 -17.205 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.415 -18.258 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.066 -16.920 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.007 -16.508 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.744 -15.487 5.760 1.00 0.00 H new ATOM 225 N ALA A 15 2.076 -14.727 -1.684 1.00 0.00 N ATOM 226 CA ALA A 15 1.226 -13.997 -2.622 1.00 0.00 C ATOM 227 C ALA A 15 -0.179 -14.586 -2.676 1.00 0.00 C ATOM 228 O ALA A 15 -0.439 -15.531 -3.421 1.00 0.00 O ATOM 229 CB ALA A 15 1.847 -13.994 -4.008 1.00 0.00 C ATOM 0 H ALA A 15 2.985 -14.996 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 15 1.146 -12.970 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.202 -13.446 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.825 -13.514 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.961 -15.020 -4.358 1.00 0.00 H new ATOM 235 N SER A 16 -1.081 -14.021 -1.882 1.00 0.00 N ATOM 236 CA SER A 16 -2.460 -14.490 -1.839 1.00 0.00 C ATOM 237 C SER A 16 -3.343 -13.535 -1.038 1.00 0.00 C ATOM 238 O SER A 16 -4.297 -13.960 -0.387 1.00 0.00 O ATOM 239 CB SER A 16 -2.525 -15.891 -1.231 1.00 0.00 C ATOM 240 OG SER A 16 -2.360 -16.887 -2.227 1.00 0.00 O ATOM 0 H SER A 16 -0.882 -13.238 -1.260 1.00 0.00 H new ATOM 0 HA SER A 16 -2.833 -14.525 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.749 -15.998 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.483 -16.029 -0.729 1.00 0.00 H new ATOM 0 HG SER A 16 -1.522 -16.731 -2.710 1.00 0.00 H new ATOM 246 N PHE A 17 -3.021 -12.245 -1.088 1.00 0.00 N ATOM 247 CA PHE A 17 -3.791 -11.241 -0.362 1.00 0.00 C ATOM 248 C PHE A 17 -3.639 -9.863 -1.001 1.00 0.00 C ATOM 249 O PHE A 17 -2.533 -9.334 -1.102 1.00 0.00 O ATOM 250 CB PHE A 17 -3.349 -11.186 1.100 1.00 0.00 C ATOM 251 CG PHE A 17 -3.694 -12.423 1.880 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.949 -12.572 2.445 1.00 0.00 C ATOM 253 CD2 PHE A 17 -2.763 -13.435 2.045 1.00 0.00 C ATOM 254 CE1 PHE A 17 -5.270 -13.709 3.163 1.00 0.00 C ATOM 255 CE2 PHE A 17 -3.077 -14.574 2.761 1.00 0.00 C ATOM 256 CZ PHE A 17 -4.333 -14.711 3.321 1.00 0.00 C ATOM 0 H PHE A 17 -2.236 -11.872 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.842 -11.528 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.271 -11.031 1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.813 -10.324 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.685 -11.791 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.780 -13.333 1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.252 -13.813 3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.342 -15.356 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.581 -15.600 3.881 1.00 0.00 H new ATOM 266 N GLU A 18 -4.759 -9.287 -1.426 1.00 0.00 N ATOM 267 CA GLU A 18 -4.751 -7.969 -2.051 1.00 0.00 C ATOM 268 C GLU A 18 -4.550 -6.874 -1.008 1.00 0.00 C ATOM 269 O GLU A 18 -5.039 -6.978 0.117 1.00 0.00 O ATOM 270 CB GLU A 18 -6.059 -7.734 -2.809 1.00 0.00 C ATOM 271 CG GLU A 18 -7.301 -7.939 -1.957 1.00 0.00 C ATOM 272 CD GLU A 18 -8.308 -8.870 -2.606 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.959 -10.043 -2.852 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.445 -8.424 -2.868 1.00 0.00 O ATOM 0 H GLU A 18 -5.683 -9.712 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.919 -7.932 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.063 -6.718 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.100 -8.408 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.009 -8.344 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.772 -6.974 -1.770 1.00 0.00 H new ATOM 281 N ARG A 19 -3.827 -5.825 -1.387 1.00 0.00 N ATOM 282 CA ARG A 19 -3.562 -4.713 -0.483 1.00 0.00 C ATOM 283 C ARG A 19 -3.446 -3.399 -1.252 1.00 0.00 C ATOM 284 O ARG A 19 -3.254 -3.396 -2.468 1.00 0.00 O ATOM 285 CB ARG A 19 -2.280 -4.970 0.311 1.00 0.00 C ATOM 286 CG ARG A 19 -2.457 -5.975 1.439 1.00 0.00 C ATOM 287 CD ARG A 19 -1.642 -5.590 2.663 1.00 0.00 C ATOM 288 NE ARG A 19 -2.286 -6.018 3.903 1.00 0.00 N ATOM 289 CZ ARG A 19 -1.645 -6.153 5.063 1.00 0.00 C ATOM 290 NH1 ARG A 19 -0.346 -5.897 5.147 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.308 -6.547 6.143 1.00 0.00 N ATOM 0 H ARG A 19 -3.414 -5.722 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.400 -4.632 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.507 -5.330 -0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.924 -4.027 0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.511 -6.039 1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.155 -6.965 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.651 -6.039 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.502 -4.509 2.681 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.284 -6.225 3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.169 -5.595 4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.138 -6.003 6.039 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.307 -6.746 6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.819 -6.651 7.032 1.00 0.00 H new ATOM 305 N TRP A 20 -3.566 -2.287 -0.534 1.00 0.00 N ATOM 306 CA TRP A 20 -3.477 -0.966 -1.145 1.00 0.00 C ATOM 307 C TRP A 20 -2.131 -0.312 -0.840 1.00 0.00 C ATOM 308 O TRP A 20 -1.559 -0.520 0.228 1.00 0.00 O ATOM 309 CB TRP A 20 -4.615 -0.075 -0.646 1.00 0.00 C ATOM 310 CG TRP A 20 -5.967 -0.514 -1.121 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.823 -1.364 -0.481 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.618 -0.127 -2.336 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.965 -1.530 -1.224 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.864 -0.782 -2.366 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.270 0.708 -3.402 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.760 -0.627 -3.418 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.162 0.861 -4.446 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.395 0.196 -4.447 1.00 0.00 C ATOM 0 H TRP A 20 -3.725 -2.275 0.473 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.564 -1.086 -2.225 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.607 -0.064 0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.437 0.948 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.630 -1.837 0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.760 -2.115 -0.967 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.321 1.224 -3.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.711 -1.139 -3.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.904 1.504 -5.275 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.071 0.336 -5.277 1.00 0.00 H new ATOM 329 N TYR A 21 -1.631 0.471 -1.789 1.00 0.00 N ATOM 330 CA TYR A 21 -0.347 1.151 -1.629 1.00 0.00 C ATOM 331 C TYR A 21 -0.406 2.556 -2.216 1.00 0.00 C ATOM 332 O TYR A 21 -1.190 2.826 -3.126 1.00 0.00 O ATOM 333 CB TYR A 21 0.771 0.348 -2.308 1.00 0.00 C ATOM 334 CG TYR A 21 0.332 -0.311 -3.595 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.635 -1.303 -3.581 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.862 0.073 -4.820 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.063 -1.897 -4.746 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.433 -0.515 -5.996 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.531 -1.501 -5.951 1.00 0.00 C ATOM 340 OH TYR A 21 -0.980 -2.076 -7.119 1.00 0.00 O ATOM 0 H TYR A 21 -2.095 0.652 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.132 1.226 -0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.611 1.011 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.130 -0.417 -1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.060 -1.616 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.620 0.842 -4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.815 -2.672 -4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.850 -0.205 -6.943 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.503 -1.685 -7.881 1.00 0.00 H new ATOM 350 N PHE A 22 0.425 3.450 -1.692 1.00 0.00 N ATOM 351 CA PHE A 22 0.460 4.828 -2.168 1.00 0.00 C ATOM 352 C PHE A 22 1.443 4.982 -3.324 1.00 0.00 C ATOM 353 O PHE A 22 2.638 4.727 -3.173 1.00 0.00 O ATOM 354 CB PHE A 22 0.838 5.774 -1.027 1.00 0.00 C ATOM 355 CG PHE A 22 -0.099 6.938 -0.880 1.00 0.00 C ATOM 356 CD1 PHE A 22 -0.202 7.891 -1.881 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.876 7.078 0.258 1.00 0.00 C ATOM 358 CE1 PHE A 22 -1.065 8.963 -1.749 1.00 0.00 C ATOM 359 CE2 PHE A 22 -1.740 8.148 0.396 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.835 9.091 -0.609 1.00 0.00 C ATOM 0 H PHE A 22 1.082 3.246 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.535 5.087 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.858 5.214 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.847 6.149 -1.196 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.398 7.795 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.806 6.343 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.137 9.699 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.340 8.247 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.510 9.927 -0.504 1.00 0.00 H new ATOM 370 N ASN A 23 0.933 5.403 -4.477 1.00 0.00 N ATOM 371 CA ASN A 23 1.768 5.592 -5.658 1.00 0.00 C ATOM 372 C ASN A 23 1.695 7.033 -6.152 1.00 0.00 C ATOM 373 O ASN A 23 0.837 7.381 -6.965 1.00 0.00 O ATOM 374 CB ASN A 23 1.343 4.634 -6.772 1.00 0.00 C ATOM 375 CG ASN A 23 -0.126 4.765 -7.121 1.00 0.00 C ATOM 376 OD1 ASN A 23 -0.998 4.491 -6.297 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.408 5.184 -8.349 1.00 0.00 N ATOM 0 H ASN A 23 -0.054 5.620 -4.619 1.00 0.00 H new ATOM 0 HA ASN A 23 2.799 5.375 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.943 4.827 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.550 3.609 -6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.379 5.290 -8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.347 5.400 -9.000 1.00 0.00 H new ATOM 384 N GLY A 24 2.601 7.867 -5.654 1.00 0.00 N ATOM 385 CA GLY A 24 2.630 9.261 -6.052 1.00 0.00 C ATOM 386 C GLY A 24 1.627 10.103 -5.291 1.00 0.00 C ATOM 387 O GLY A 24 1.964 10.727 -4.285 1.00 0.00 O ATOM 0 H GLY A 24 3.318 7.601 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.631 9.661 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.425 9.335 -7.120 1.00 0.00 H new ATOM 391 N ARG A 25 0.392 10.122 -5.775 1.00 0.00 N ATOM 392 CA ARG A 25 -0.668 10.899 -5.139 1.00 0.00 C ATOM 393 C ARG A 25 -1.924 10.057 -4.912 1.00 0.00 C ATOM 394 O ARG A 25 -2.738 10.371 -4.044 1.00 0.00 O ATOM 395 CB ARG A 25 -1.011 12.121 -5.993 1.00 0.00 C ATOM 396 CG ARG A 25 -1.129 11.812 -7.478 1.00 0.00 C ATOM 397 CD ARG A 25 0.040 12.385 -8.263 1.00 0.00 C ATOM 398 NE ARG A 25 -0.166 13.792 -8.602 1.00 0.00 N ATOM 399 CZ ARG A 25 0.814 14.622 -8.952 1.00 0.00 C ATOM 400 NH1 ARG A 25 2.068 14.191 -9.010 1.00 0.00 N ATOM 401 NH2 ARG A 25 0.539 15.885 -9.245 1.00 0.00 N ATOM 0 H ARG A 25 0.098 9.609 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.300 11.226 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.952 12.546 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.244 12.882 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.172 10.733 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.063 12.223 -7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.954 12.283 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.180 11.808 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.117 14.159 -8.568 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.284 13.220 -8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.815 14.831 -9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.423 16.221 -9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.290 16.521 -9.513 1.00 0.00 H new ATOM 415 N THR A 26 -2.081 8.991 -5.693 1.00 0.00 N ATOM 416 CA THR A 26 -3.243 8.118 -5.566 1.00 0.00 C ATOM 417 C THR A 26 -2.839 6.741 -5.053 1.00 0.00 C ATOM 418 O THR A 26 -1.653 6.444 -4.910 1.00 0.00 O ATOM 419 CB THR A 26 -3.958 7.984 -6.912 1.00 0.00 C ATOM 420 OG1 THR A 26 -4.985 7.012 -6.838 1.00 0.00 O ATOM 421 CG2 THR A 26 -3.035 7.591 -8.044 1.00 0.00 C ATOM 0 H THR A 26 -1.420 8.712 -6.418 1.00 0.00 H new ATOM 0 HA THR A 26 -3.924 8.568 -4.844 1.00 0.00 H new ATOM 0 HB THR A 26 -4.364 8.973 -7.124 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.432 6.941 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.606 7.514 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.258 8.347 -8.159 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.574 6.629 -7.820 1.00 0.00 H new ATOM 429 N CYS A 27 -3.833 5.906 -4.777 1.00 0.00 N ATOM 430 CA CYS A 27 -3.582 4.559 -4.279 1.00 0.00 C ATOM 431 C CYS A 27 -3.574 3.545 -5.419 1.00 0.00 C ATOM 432 O CYS A 27 -3.843 3.886 -6.571 1.00 0.00 O ATOM 433 CB CYS A 27 -4.628 4.173 -3.232 1.00 0.00 C ATOM 434 SG CYS A 27 -3.925 3.404 -1.737 1.00 0.00 S ATOM 0 H CYS A 27 -4.820 6.137 -4.889 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.597 4.551 -3.811 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.185 5.064 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.342 3.483 -3.682 1.00 0.00 H new ATOM 439 N ALA A 28 -3.252 2.302 -5.086 1.00 0.00 N ATOM 440 CA ALA A 28 -3.189 1.230 -6.074 1.00 0.00 C ATOM 441 C ALA A 28 -3.556 -0.116 -5.447 1.00 0.00 C ATOM 442 O ALA A 28 -3.811 -0.198 -4.246 1.00 0.00 O ATOM 443 CB ALA A 28 -1.814 1.185 -6.712 1.00 0.00 C ATOM 0 H ALA A 28 -3.029 2.009 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.920 1.435 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.780 0.381 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.610 2.136 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.062 1.006 -5.944 1.00 0.00 H new ATOM 449 N LYS A 29 -3.601 -1.168 -6.266 1.00 0.00 N ATOM 450 CA LYS A 29 -3.960 -2.498 -5.778 1.00 0.00 C ATOM 451 C LYS A 29 -3.120 -3.583 -6.445 1.00 0.00 C ATOM 452 O LYS A 29 -2.883 -3.549 -7.653 1.00 0.00 O ATOM 453 CB LYS A 29 -5.447 -2.768 -6.015 1.00 0.00 C ATOM 454 CG LYS A 29 -5.850 -2.719 -7.480 1.00 0.00 C ATOM 455 CD LYS A 29 -6.892 -3.776 -7.807 1.00 0.00 C ATOM 456 CE LYS A 29 -7.981 -3.223 -8.714 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.253 -3.985 -8.582 1.00 0.00 N ATOM 0 H LYS A 29 -3.395 -1.125 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.757 -2.524 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.698 -3.748 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.033 -2.035 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.246 -1.731 -7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.970 -2.868 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.410 -4.626 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.339 -4.146 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.158 -2.175 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.643 -3.257 -9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.969 -3.577 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.090 -4.980 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.589 -3.931 -7.599 1.00 0.00 H new ATOM 471 N PHE A 30 -2.669 -4.543 -5.643 1.00 0.00 N ATOM 472 CA PHE A 30 -1.846 -5.641 -6.139 1.00 0.00 C ATOM 473 C PHE A 30 -1.975 -6.871 -5.247 1.00 0.00 C ATOM 474 O PHE A 30 -2.642 -6.830 -4.212 1.00 0.00 O ATOM 475 CB PHE A 30 -0.375 -5.213 -6.238 1.00 0.00 C ATOM 476 CG PHE A 30 0.190 -4.576 -4.987 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.466 -4.664 -3.766 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.393 -3.887 -5.042 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.067 -4.081 -2.631 1.00 0.00 C ATOM 480 CE2 PHE A 30 1.929 -3.304 -3.909 1.00 0.00 C ATOM 481 CZ PHE A 30 1.266 -3.401 -2.703 1.00 0.00 C ATOM 0 H PHE A 30 -2.861 -4.582 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.204 -5.901 -7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.227 -6.087 -6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.271 -4.510 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.405 -5.195 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.918 -3.805 -5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.455 -4.158 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.867 -2.772 -3.968 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.684 -2.946 -1.817 1.00 0.00 H new ATOM 491 N ILE A 31 -1.336 -7.965 -5.646 1.00 0.00 N ATOM 492 CA ILE A 31 -1.381 -9.192 -4.867 1.00 0.00 C ATOM 493 C ILE A 31 -0.241 -9.212 -3.858 1.00 0.00 C ATOM 494 O ILE A 31 0.886 -9.578 -4.188 1.00 0.00 O ATOM 495 CB ILE A 31 -1.286 -10.435 -5.772 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.364 -10.386 -6.856 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.412 -11.709 -4.948 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.774 -10.442 -6.310 1.00 0.00 C ATOM 0 H ILE A 31 -0.783 -8.025 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.337 -9.219 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.309 -10.437 -6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.244 -9.471 -7.435 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.216 -11.220 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.342 -12.576 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.609 -11.747 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.375 -11.718 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.485 -10.403 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.913 -11.370 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.941 -9.594 -5.646 1.00 0.00 H new ATOM 510 N TYR A 32 -0.540 -8.798 -2.632 1.00 0.00 N ATOM 511 CA TYR A 32 0.462 -8.744 -1.575 1.00 0.00 C ATOM 512 C TYR A 32 0.534 -10.064 -0.816 1.00 0.00 C ATOM 513 O TYR A 32 -0.445 -10.504 -0.213 1.00 0.00 O ATOM 514 CB TYR A 32 0.136 -7.601 -0.610 1.00 0.00 C ATOM 515 CG TYR A 32 1.124 -7.455 0.526 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.306 -6.744 0.356 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.871 -8.022 1.768 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.209 -6.605 1.393 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.770 -7.886 2.810 1.00 0.00 C ATOM 520 CZ TYR A 32 2.936 -7.177 2.617 1.00 0.00 C ATOM 521 OH TYR A 32 3.832 -7.039 3.653 1.00 0.00 O ATOM 0 H TYR A 32 -1.471 -8.494 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 32 1.434 -8.566 -2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.100 -6.666 -1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.859 -7.762 -0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.522 -6.293 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.042 -8.578 1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.124 -6.051 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.559 -8.333 3.770 1.00 0.00 H new ATOM 0 HH TYR A 32 3.488 -7.501 4.446 1.00 0.00 H new ATOM 531 N GLY A 33 1.705 -10.690 -0.857 1.00 0.00 N ATOM 532 CA GLY A 33 1.898 -11.955 -0.176 1.00 0.00 C ATOM 533 C GLY A 33 2.349 -11.786 1.262 1.00 0.00 C ATOM 534 O GLY A 33 1.873 -12.490 2.153 1.00 0.00 O ATOM 0 H GLY A 33 2.526 -10.342 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.965 -12.519 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.638 -12.544 -0.717 1.00 0.00 H new ATOM 538 N GLY A 34 3.266 -10.850 1.495 1.00 0.00 N ATOM 539 CA GLY A 34 3.754 -10.619 2.843 1.00 0.00 C ATOM 540 C GLY A 34 5.205 -10.169 2.895 1.00 0.00 C ATOM 541 O GLY A 34 5.694 -9.775 3.953 1.00 0.00 O ATOM 0 H GLY A 34 3.677 -10.251 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.131 -9.864 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.646 -11.536 3.422 1.00 0.00 H new ATOM 545 N CYS A 35 5.902 -10.228 1.762 1.00 0.00 N ATOM 546 CA CYS A 35 7.303 -9.820 1.714 1.00 0.00 C ATOM 547 C CYS A 35 7.472 -8.517 0.934 1.00 0.00 C ATOM 548 O CYS A 35 7.442 -8.505 -0.297 1.00 0.00 O ATOM 549 CB CYS A 35 8.164 -10.925 1.093 1.00 0.00 C ATOM 550 SG CYS A 35 8.149 -12.492 2.026 1.00 0.00 S ATOM 0 H CYS A 35 5.523 -10.552 0.872 1.00 0.00 H new ATOM 0 HA CYS A 35 7.636 -9.649 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.815 -11.115 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.192 -10.570 1.016 1.00 0.00 H new ATOM 555 N GLY A 36 7.648 -7.420 1.663 1.00 0.00 N ATOM 556 CA GLY A 36 7.819 -6.128 1.028 1.00 0.00 C ATOM 557 C GLY A 36 6.866 -5.081 1.571 1.00 0.00 C ATOM 558 O GLY A 36 6.281 -4.310 0.810 1.00 0.00 O ATOM 0 H GLY A 36 7.675 -7.403 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.845 -5.790 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.665 -6.232 -0.046 1.00 0.00 H new ATOM 562 N GLY A 37 6.707 -5.054 2.890 1.00 0.00 N ATOM 563 CA GLY A 37 5.817 -4.091 3.509 1.00 0.00 C ATOM 564 C GLY A 37 6.511 -3.254 4.566 1.00 0.00 C ATOM 565 O GLY A 37 6.974 -3.779 5.578 1.00 0.00 O ATOM 0 H GLY A 37 7.179 -5.682 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.407 -3.434 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.976 -4.617 3.961 1.00 0.00 H new ATOM 569 N ASN A 38 6.583 -1.948 4.331 1.00 0.00 N ATOM 570 CA ASN A 38 7.227 -1.035 5.271 1.00 0.00 C ATOM 571 C ASN A 38 6.252 0.046 5.735 1.00 0.00 C ATOM 572 O ASN A 38 5.641 -0.074 6.797 1.00 0.00 O ATOM 573 CB ASN A 38 8.470 -0.396 4.640 1.00 0.00 C ATOM 574 CG ASN A 38 8.363 -0.260 3.131 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.286 0.005 2.596 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.481 -0.443 2.439 1.00 0.00 N ATOM 0 H ASN A 38 6.204 -1.497 3.498 1.00 0.00 H new ATOM 0 HA ASN A 38 7.538 -1.613 6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.628 0.589 5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.345 -0.998 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.470 -0.366 1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.351 -0.661 2.924 1.00 0.00 H new ATOM 583 N GLY A 39 6.109 1.102 4.939 1.00 0.00 N ATOM 584 CA GLY A 39 5.205 2.182 5.297 1.00 0.00 C ATOM 585 C GLY A 39 4.337 2.641 4.138 1.00 0.00 C ATOM 586 O GLY A 39 3.524 3.552 4.292 1.00 0.00 O ATOM 0 H GLY A 39 6.601 1.229 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.564 1.855 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.786 3.027 5.665 1.00 0.00 H new ATOM 590 N ASN A 40 4.505 2.016 2.975 1.00 0.00 N ATOM 591 CA ASN A 40 3.728 2.378 1.797 1.00 0.00 C ATOM 592 C ASN A 40 2.552 1.425 1.604 1.00 0.00 C ATOM 593 O ASN A 40 1.508 1.810 1.076 1.00 0.00 O ATOM 594 CB ASN A 40 4.616 2.367 0.553 1.00 0.00 C ATOM 595 CG ASN A 40 3.890 2.865 -0.681 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.752 2.143 -1.668 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.422 4.107 -0.630 1.00 0.00 N ATOM 0 H ASN A 40 5.171 1.258 2.825 1.00 0.00 H new ATOM 0 HA ASN A 40 3.335 3.384 1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.493 2.989 0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.975 1.353 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.925 4.498 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.560 4.670 0.209 1.00 0.00 H new ATOM 604 N LYS A 41 2.728 0.179 2.033 1.00 0.00 N ATOM 605 CA LYS A 41 1.681 -0.829 1.905 1.00 0.00 C ATOM 606 C LYS A 41 0.525 -0.544 2.860 1.00 0.00 C ATOM 607 O LYS A 41 0.692 0.142 3.868 1.00 0.00 O ATOM 608 CB LYS A 41 2.251 -2.223 2.176 1.00 0.00 C ATOM 609 CG LYS A 41 2.719 -2.421 3.609 1.00 0.00 C ATOM 610 CD LYS A 41 1.946 -3.532 4.302 1.00 0.00 C ATOM 611 CE LYS A 41 2.544 -3.865 5.659 1.00 0.00 C ATOM 612 NZ LYS A 41 2.308 -2.780 6.651 1.00 0.00 N ATOM 0 H LYS A 41 3.585 -0.157 2.472 1.00 0.00 H new ATOM 0 HA LYS A 41 1.300 -0.791 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.490 -2.969 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.088 -2.402 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.783 -2.658 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.597 -1.491 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.906 -3.230 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.947 -4.423 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.111 -4.795 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.616 -4.033 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.731 -3.046 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.743 -1.898 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.285 -2.637 6.772 1.00 0.00 H new ATOM 626 N PHE A 42 -0.647 -1.077 2.531 1.00 0.00 N ATOM 627 CA PHE A 42 -1.838 -0.888 3.352 1.00 0.00 C ATOM 628 C PHE A 42 -2.859 -1.991 3.081 1.00 0.00 C ATOM 629 O PHE A 42 -2.953 -2.496 1.964 1.00 0.00 O ATOM 630 CB PHE A 42 -2.461 0.482 3.077 1.00 0.00 C ATOM 631 CG PHE A 42 -1.566 1.632 3.438 1.00 0.00 C ATOM 632 CD1 PHE A 42 -1.455 2.054 4.753 1.00 0.00 C ATOM 633 CD2 PHE A 42 -0.833 2.289 2.463 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.631 3.112 5.090 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.007 3.347 2.793 1.00 0.00 C ATOM 636 CZ PHE A 42 0.094 3.758 4.108 1.00 0.00 C ATOM 0 H PHE A 42 -0.798 -1.646 1.698 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.543 -0.938 4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.717 0.550 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.392 0.567 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.019 1.550 5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.908 1.971 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.555 3.432 6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.559 3.852 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.739 4.584 4.368 1.00 0.00 H new ATOM 646 N PRO A 43 -3.635 -2.386 4.105 1.00 0.00 N ATOM 647 CA PRO A 43 -4.643 -3.440 3.968 1.00 0.00 C ATOM 648 C PRO A 43 -5.885 -2.975 3.213 1.00 0.00 C ATOM 649 O PRO A 43 -6.378 -3.671 2.324 1.00 0.00 O ATOM 650 CB PRO A 43 -4.994 -3.778 5.416 1.00 0.00 C ATOM 651 CG PRO A 43 -4.736 -2.520 6.170 1.00 0.00 C ATOM 652 CD PRO A 43 -3.583 -1.842 5.476 1.00 0.00 C ATOM 0 HA PRO A 43 -4.268 -4.286 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.034 -4.089 5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.381 -4.598 5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.619 -1.880 6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.493 -2.733 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.693 -0.758 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.634 -2.068 5.961 1.00 0.00 H new ATOM 660 N THR A 44 -6.392 -1.799 3.571 1.00 0.00 N ATOM 661 CA THR A 44 -7.580 -1.254 2.925 1.00 0.00 C ATOM 662 C THR A 44 -7.319 0.146 2.378 1.00 0.00 C ATOM 663 O THR A 44 -6.345 0.800 2.751 1.00 0.00 O ATOM 664 CB THR A 44 -8.750 -1.217 3.910 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.282 -1.052 5.237 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.602 -2.467 3.875 1.00 0.00 C ATOM 0 H THR A 44 -5.999 -1.207 4.303 1.00 0.00 H new ATOM 0 HA THR A 44 -7.834 -1.906 2.089 1.00 0.00 H new ATOM 0 HB THR A 44 -9.363 -0.371 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.044 -1.029 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.413 -2.375 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.018 -2.596 2.876 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.989 -3.332 4.127 1.00 0.00 H new ATOM 674 N GLN A 45 -8.200 0.599 1.491 1.00 0.00 N ATOM 675 CA GLN A 45 -8.072 1.921 0.890 1.00 0.00 C ATOM 676 C GLN A 45 -8.383 3.014 1.907 1.00 0.00 C ATOM 677 O GLN A 45 -7.856 4.123 1.820 1.00 0.00 O ATOM 678 CB GLN A 45 -9.006 2.049 -0.314 1.00 0.00 C ATOM 679 CG GLN A 45 -10.478 1.937 0.044 1.00 0.00 C ATOM 680 CD GLN A 45 -11.052 3.241 0.566 1.00 0.00 C ATOM 681 OE1 GLN A 45 -11.592 3.296 1.671 1.00 0.00 O ATOM 682 NE2 GLN A 45 -10.939 4.298 -0.229 1.00 0.00 N ATOM 0 H GLN A 45 -9.011 0.069 1.173 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.041 2.043 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.831 3.009 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.757 1.275 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.039 1.624 -0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.607 1.160 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.484 4.207 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.308 5.201 0.068 1.00 0.00 H new ATOM 691 N GLU A 46 -9.242 2.696 2.871 1.00 0.00 N ATOM 692 CA GLU A 46 -9.620 3.655 3.904 1.00 0.00 C ATOM 693 C GLU A 46 -8.386 4.183 4.629 1.00 0.00 C ATOM 694 O GLU A 46 -8.282 5.377 4.908 1.00 0.00 O ATOM 695 CB GLU A 46 -10.583 3.008 4.903 1.00 0.00 C ATOM 696 CG GLU A 46 -11.910 3.739 5.027 1.00 0.00 C ATOM 697 CD GLU A 46 -12.837 3.098 6.041 1.00 0.00 C ATOM 698 OE1 GLU A 46 -12.538 3.176 7.251 1.00 0.00 O ATOM 699 OE2 GLU A 46 -13.861 2.517 5.625 1.00 0.00 O ATOM 0 H GLU A 46 -9.689 1.783 2.958 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.122 4.495 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.772 1.978 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.106 2.969 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.725 4.774 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.401 3.760 4.054 1.00 0.00 H new ATOM 706 N ALA A 47 -7.450 3.287 4.924 1.00 0.00 N ATOM 707 CA ALA A 47 -6.221 3.666 5.609 1.00 0.00 C ATOM 708 C ALA A 47 -5.283 4.414 4.669 1.00 0.00 C ATOM 709 O ALA A 47 -4.471 5.231 5.105 1.00 0.00 O ATOM 710 CB ALA A 47 -5.532 2.435 6.178 1.00 0.00 C ATOM 0 H ALA A 47 -7.520 2.294 4.699 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.480 4.333 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.615 2.734 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.196 1.941 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.290 1.747 5.368 1.00 0.00 H new ATOM 716 N CYS A 48 -5.402 4.130 3.375 1.00 0.00 N ATOM 717 CA CYS A 48 -4.567 4.774 2.366 1.00 0.00 C ATOM 718 C CYS A 48 -4.684 6.294 2.449 1.00 0.00 C ATOM 719 O CYS A 48 -3.681 6.999 2.573 1.00 0.00 O ATOM 720 CB CYS A 48 -4.968 4.294 0.968 1.00 0.00 C ATOM 721 SG CYS A 48 -3.897 4.908 -0.372 1.00 0.00 S ATOM 0 H CYS A 48 -6.070 3.457 3.000 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.529 4.500 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.958 3.204 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.993 4.606 0.770 1.00 0.00 H new ATOM 726 N MET A 49 -5.914 6.794 2.380 1.00 0.00 N ATOM 727 CA MET A 49 -6.159 8.230 2.445 1.00 0.00 C ATOM 728 C MET A 49 -6.223 8.714 3.891 1.00 0.00 C ATOM 729 O MET A 49 -5.908 9.865 4.184 1.00 0.00 O ATOM 730 CB MET A 49 -7.461 8.579 1.722 1.00 0.00 C ATOM 731 CG MET A 49 -7.364 8.468 0.209 1.00 0.00 C ATOM 732 SD MET A 49 -8.141 9.856 -0.642 1.00 0.00 S ATOM 733 CE MET A 49 -9.779 9.825 0.081 1.00 0.00 C ATOM 0 H MET A 49 -6.755 6.226 2.279 1.00 0.00 H new ATOM 0 HA MET A 49 -5.328 8.734 1.952 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.252 7.919 2.077 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.752 9.596 1.986 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.315 8.411 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.835 7.539 -0.114 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.480 10.331 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 49 -10.095 8.791 0.222 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.761 10.334 1.045 1.00 0.00 H new ATOM 743 N LYS A 50 -6.636 7.831 4.793 1.00 0.00 N ATOM 744 CA LYS A 50 -6.741 8.179 6.206 1.00 0.00 C ATOM 745 C LYS A 50 -5.362 8.335 6.847 1.00 0.00 C ATOM 746 O LYS A 50 -5.241 8.850 7.959 1.00 0.00 O ATOM 747 CB LYS A 50 -7.544 7.112 6.953 1.00 0.00 C ATOM 748 CG LYS A 50 -7.821 7.462 8.408 1.00 0.00 C ATOM 749 CD LYS A 50 -9.253 7.932 8.608 1.00 0.00 C ATOM 750 CE LYS A 50 -9.309 9.239 9.382 1.00 0.00 C ATOM 751 NZ LYS A 50 -10.705 9.733 9.540 1.00 0.00 N ATOM 0 H LYS A 50 -6.903 6.872 4.573 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.257 9.137 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.493 6.957 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.002 6.167 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.633 6.590 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.133 8.242 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.733 8.062 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.816 7.167 9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.861 9.098 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.714 9.992 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.699 10.626 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.125 9.893 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.267 9.026 10.055 1.00 0.00 H new ATOM 765 N ARG A 51 -4.322 7.885 6.151 1.00 0.00 N ATOM 766 CA ARG A 51 -2.965 7.976 6.677 1.00 0.00 C ATOM 767 C ARG A 51 -2.185 9.122 6.034 1.00 0.00 C ATOM 768 O ARG A 51 -1.409 9.803 6.704 1.00 0.00 O ATOM 769 CB ARG A 51 -2.224 6.657 6.458 1.00 0.00 C ATOM 770 CG ARG A 51 -2.500 5.618 7.532 1.00 0.00 C ATOM 771 CD ARG A 51 -1.385 5.574 8.564 1.00 0.00 C ATOM 772 NE ARG A 51 -1.489 6.665 9.531 1.00 0.00 N ATOM 773 CZ ARG A 51 -0.710 6.782 10.603 1.00 0.00 C ATOM 774 NH1 ARG A 51 0.231 5.878 10.850 1.00 0.00 N ATOM 775 NH2 ARG A 51 -0.870 7.805 11.431 1.00 0.00 N ATOM 0 H ARG A 51 -4.392 7.457 5.228 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.040 8.179 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.506 6.248 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.153 6.854 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.445 5.845 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.609 4.636 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.415 4.620 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.421 5.629 8.058 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.201 7.379 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.359 5.089 10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.826 5.973 11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.591 8.503 11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.272 7.894 12.253 1.00 0.00 H new ATOM 789 N CYS A 52 -2.378 9.323 4.734 1.00 0.00 N ATOM 790 CA CYS A 52 -1.672 10.382 4.017 1.00 0.00 C ATOM 791 C CYS A 52 -2.607 11.525 3.628 1.00 0.00 C ATOM 792 O CYS A 52 -2.189 12.680 3.556 1.00 0.00 O ATOM 793 CB CYS A 52 -0.999 9.813 2.766 1.00 0.00 C ATOM 794 SG CYS A 52 0.729 10.350 2.543 1.00 0.00 S ATOM 0 H CYS A 52 -3.013 8.771 4.158 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.914 10.785 4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.027 8.724 2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.576 10.108 1.890 1.00 0.00 H new ATOM 799 N ALA A 53 -3.870 11.202 3.375 1.00 0.00 N ATOM 800 CA ALA A 53 -4.852 12.210 2.991 1.00 0.00 C ATOM 801 C ALA A 53 -5.482 12.864 4.216 1.00 0.00 C ATOM 802 O ALA A 53 -5.938 14.006 4.154 1.00 0.00 O ATOM 803 CB ALA A 53 -5.925 11.595 2.106 1.00 0.00 C ATOM 0 H ALA A 53 -4.238 10.252 3.429 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.334 12.986 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.650 12.360 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.465 11.187 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.430 10.796 2.649 1.00 0.00 H new ATOM 809 N LYS A 54 -5.504 12.137 5.328 1.00 0.00 N ATOM 810 CA LYS A 54 -6.080 12.654 6.564 1.00 0.00 C ATOM 811 C LYS A 54 -4.988 13.118 7.522 1.00 0.00 C ATOM 812 O LYS A 54 -4.933 14.290 7.896 1.00 0.00 O ATOM 813 CB LYS A 54 -6.947 11.587 7.235 1.00 0.00 C ATOM 814 CG LYS A 54 -8.286 11.372 6.549 1.00 0.00 C ATOM 815 CD LYS A 54 -9.261 12.496 6.863 1.00 0.00 C ATOM 816 CE LYS A 54 -10.325 12.628 5.785 1.00 0.00 C ATOM 817 NZ LYS A 54 -11.667 12.919 6.362 1.00 0.00 N ATOM 0 H LYS A 54 -5.131 11.190 5.399 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.704 13.511 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.401 10.644 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.121 11.872 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.137 11.309 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.711 10.421 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.738 12.307 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.717 13.436 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.046 13.424 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.371 11.706 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.364 13.002 5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.945 12.147 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.630 13.812 6.894 1.00 0.00 H new ATOM 831 N ALA A 55 -4.121 12.191 7.917 1.00 0.00 N ATOM 832 CA ALA A 55 -3.030 12.506 8.833 1.00 0.00 C ATOM 833 C ALA A 55 -2.113 13.575 8.247 1.00 0.00 C ATOM 834 O ALA A 55 -2.385 14.032 7.118 1.00 0.00 O ATOM 835 CB ALA A 55 -2.238 11.249 9.159 1.00 0.00 C ATOM 836 OXT ALA A 55 -1.132 13.946 8.924 1.00 0.00 O ATOM 0 H ALA A 55 -4.153 11.216 7.618 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.461 12.900 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.427 11.497 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.895 10.516 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.824 10.832 8.241 1.00 0.00 H new TER 842 ALA A 55