USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -100:sc= -0.816 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -7.14! C(o=-7.1!,f=-7.3!) USER MOD Single : A 17 MET CE :methyl -150:sc= -19.2! (180deg=-23.3!) USER MOD Single : A 19 SER OG : rot 69:sc= 1.13 USER MOD Single : A 20 MET CE :methyl 164:sc= -0.0753 (180deg=-0.227) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -41:sc= -8.22! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.77 X(o=-0.77,f=-0.32) USER MOD Single : A 38 TYR OH : rot 158:sc= -0.407! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.24! C(o=-2.2!,f=-6.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -65:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.954 K(o=-0.95,f=0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.125 7.587 -8.191 1.00 0.00 N ATOM 2 CA GLY A 1 16.862 6.126 -8.050 1.00 0.00 C ATOM 3 C GLY A 1 15.950 5.884 -6.846 1.00 0.00 C ATOM 4 O GLY A 1 14.744 5.997 -6.936 1.00 0.00 O ATOM 0 H1 GLY A 1 17.745 7.751 -9.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.226 8.090 -8.332 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.588 7.941 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.395 5.741 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.801 5.588 -7.922 1.00 0.00 H new ATOM 10 N SER A 2 16.516 5.550 -5.719 1.00 0.00 N ATOM 11 CA SER A 2 15.679 5.301 -4.511 1.00 0.00 C ATOM 12 C SER A 2 16.097 6.236 -3.373 1.00 0.00 C ATOM 13 O SER A 2 16.564 5.791 -2.343 1.00 0.00 O ATOM 14 CB SER A 2 15.952 3.846 -4.134 1.00 0.00 C ATOM 15 OG SER A 2 14.743 3.240 -3.694 1.00 0.00 O ATOM 0 H SER A 2 17.521 5.439 -5.582 1.00 0.00 H new ATOM 0 HA SER A 2 14.621 5.483 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.352 3.305 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.704 3.797 -3.347 1.00 0.00 H new ATOM 0 HG SER A 2 14.914 2.306 -3.453 1.00 0.00 H new ATOM 21 N PRO A 3 15.911 7.508 -3.601 1.00 0.00 N ATOM 22 CA PRO A 3 16.269 8.526 -2.583 1.00 0.00 C ATOM 23 C PRO A 3 15.288 8.475 -1.408 1.00 0.00 C ATOM 24 O PRO A 3 14.119 8.766 -1.564 1.00 0.00 O ATOM 25 CB PRO A 3 16.147 9.846 -3.339 1.00 0.00 C ATOM 26 CG PRO A 3 15.188 9.566 -4.452 1.00 0.00 C ATOM 27 CD PRO A 3 15.353 8.113 -4.815 1.00 0.00 C ATOM 0 HA PRO A 3 17.261 8.376 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.778 10.640 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 3 17.114 10.172 -3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.164 9.773 -4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.395 10.205 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.400 7.658 -5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.021 7.987 -5.667 1.00 0.00 H new ATOM 35 N PRO A 4 15.802 8.104 -0.264 1.00 0.00 N ATOM 36 CA PRO A 4 14.966 8.012 0.956 1.00 0.00 C ATOM 37 C PRO A 4 14.802 9.389 1.615 1.00 0.00 C ATOM 38 O PRO A 4 14.693 9.497 2.819 1.00 0.00 O ATOM 39 CB PRO A 4 15.768 7.082 1.859 1.00 0.00 C ATOM 40 CG PRO A 4 17.194 7.215 1.412 1.00 0.00 C ATOM 41 CD PRO A 4 17.194 7.734 -0.007 1.00 0.00 C ATOM 0 HA PRO A 4 13.957 7.654 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.658 7.362 2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.423 6.052 1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.736 7.897 2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.701 6.252 1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.859 8.591 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 4 17.538 6.973 -0.708 1.00 0.00 H new ATOM 49 N GLU A 5 14.784 10.440 0.840 1.00 0.00 N ATOM 50 CA GLU A 5 14.628 11.797 1.434 1.00 0.00 C ATOM 51 C GLU A 5 13.146 12.153 1.573 1.00 0.00 C ATOM 52 O GLU A 5 12.651 13.054 0.926 1.00 0.00 O ATOM 53 CB GLU A 5 15.308 12.737 0.454 1.00 0.00 C ATOM 54 CG GLU A 5 16.403 13.526 1.175 1.00 0.00 C ATOM 55 CD GLU A 5 16.558 14.900 0.520 1.00 0.00 C ATOM 56 OE1 GLU A 5 15.724 15.240 -0.302 1.00 0.00 O ATOM 57 OE2 GLU A 5 17.509 15.589 0.852 1.00 0.00 O ATOM 0 H GLU A 5 14.870 10.417 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 5 15.063 11.859 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.738 12.169 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.577 13.421 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.149 13.640 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.347 12.982 1.131 1.00 0.00 H new ATOM 64 N ALA A 6 12.434 11.454 2.412 1.00 0.00 N ATOM 65 CA ALA A 6 10.986 11.755 2.589 1.00 0.00 C ATOM 66 C ALA A 6 10.350 10.750 3.552 1.00 0.00 C ATOM 67 O ALA A 6 9.714 11.121 4.517 1.00 0.00 O ATOM 68 CB ALA A 6 10.380 11.615 1.193 1.00 0.00 C ATOM 0 H ALA A 6 12.792 10.688 2.982 1.00 0.00 H new ATOM 0 HA ALA A 6 10.819 12.747 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.311 11.822 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.858 12.323 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.538 10.600 0.828 1.00 0.00 H new ATOM 74 N ASP A 7 10.522 9.483 3.295 1.00 0.00 N ATOM 75 CA ASP A 7 9.934 8.451 4.189 1.00 0.00 C ATOM 76 C ASP A 7 10.137 7.054 3.597 1.00 0.00 C ATOM 77 O ASP A 7 9.522 6.701 2.611 1.00 0.00 O ATOM 78 CB ASP A 7 8.446 8.788 4.260 1.00 0.00 C ATOM 79 CG ASP A 7 7.924 9.110 2.858 1.00 0.00 C ATOM 80 OD1 ASP A 7 8.568 8.713 1.902 1.00 0.00 O ATOM 81 OD2 ASP A 7 6.888 9.748 2.766 1.00 0.00 O ATOM 0 H ASP A 7 11.047 9.118 2.500 1.00 0.00 H new ATOM 0 HA ASP A 7 10.401 8.449 5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.893 7.949 4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.287 9.639 4.922 1.00 0.00 H new ATOM 86 N PRO A 8 10.996 6.299 4.228 1.00 0.00 N ATOM 87 CA PRO A 8 11.282 4.921 3.764 1.00 0.00 C ATOM 88 C PRO A 8 10.112 3.993 4.103 1.00 0.00 C ATOM 89 O PRO A 8 9.955 2.942 3.515 1.00 0.00 O ATOM 90 CB PRO A 8 12.532 4.531 4.549 1.00 0.00 C ATOM 91 CG PRO A 8 12.504 5.386 5.776 1.00 0.00 C ATOM 92 CD PRO A 8 11.772 6.656 5.421 1.00 0.00 C ATOM 0 HA PRO A 8 11.424 4.851 2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.522 3.472 4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.435 4.708 3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.002 4.869 6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.517 5.608 6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.125 6.984 6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.465 7.472 5.216 1.00 0.00 H new ATOM 100 N ARG A 9 9.287 4.375 5.040 1.00 0.00 N ATOM 101 CA ARG A 9 8.134 3.519 5.402 1.00 0.00 C ATOM 102 C ARG A 9 7.204 3.368 4.201 1.00 0.00 C ATOM 103 O ARG A 9 6.338 2.517 4.171 1.00 0.00 O ATOM 104 CB ARG A 9 7.450 4.269 6.541 1.00 0.00 C ATOM 105 CG ARG A 9 6.801 5.545 6.001 1.00 0.00 C ATOM 106 CD ARG A 9 5.816 6.095 7.035 1.00 0.00 C ATOM 107 NE ARG A 9 6.598 7.088 7.823 1.00 0.00 N ATOM 108 CZ ARG A 9 6.842 6.872 9.086 1.00 0.00 C ATOM 109 NH1 ARG A 9 7.147 5.672 9.495 1.00 0.00 N ATOM 110 NH2 ARG A 9 6.783 7.857 9.940 1.00 0.00 N ATOM 0 H ARG A 9 9.366 5.244 5.568 1.00 0.00 H new ATOM 0 HA ARG A 9 8.424 2.511 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.696 3.634 7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.177 4.518 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.566 6.289 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.283 5.334 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.957 6.562 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.430 5.301 7.674 1.00 0.00 H new ATOM 0 HE ARG A 9 6.943 7.937 7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.195 4.902 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.338 5.503 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.546 8.796 9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.974 7.688 10.928 1.00 0.00 H new ATOM 124 N LEU A 10 7.395 4.181 3.204 1.00 0.00 N ATOM 125 CA LEU A 10 6.542 4.083 1.989 1.00 0.00 C ATOM 126 C LEU A 10 6.937 2.838 1.206 1.00 0.00 C ATOM 127 O LEU A 10 6.124 1.984 0.916 1.00 0.00 O ATOM 128 CB LEU A 10 6.847 5.346 1.182 1.00 0.00 C ATOM 129 CG LEU A 10 6.317 5.211 -0.251 1.00 0.00 C ATOM 130 CD1 LEU A 10 7.321 4.424 -1.095 1.00 0.00 C ATOM 131 CD2 LEU A 10 4.968 4.481 -0.257 1.00 0.00 C ATOM 0 H LEU A 10 8.107 4.911 3.177 1.00 0.00 H new ATOM 0 HA LEU A 10 5.480 4.007 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.392 6.211 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.923 5.521 1.163 1.00 0.00 H new ATOM 0 HG LEU A 10 6.182 6.208 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.944 4.328 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.276 4.950 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.460 3.432 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.606 4.394 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.091 3.486 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.247 5.044 0.336 1.00 0.00 H new ATOM 143 N ILE A 11 8.193 2.718 0.881 1.00 0.00 N ATOM 144 CA ILE A 11 8.649 1.521 0.142 1.00 0.00 C ATOM 145 C ILE A 11 8.437 0.297 1.035 1.00 0.00 C ATOM 146 O ILE A 11 8.062 -0.763 0.576 1.00 0.00 O ATOM 147 CB ILE A 11 10.134 1.796 -0.145 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.291 2.248 -1.599 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.975 0.539 0.085 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.961 1.083 -2.535 1.00 0.00 C ATOM 0 H ILE A 11 8.920 3.400 1.097 1.00 0.00 H new ATOM 0 HA ILE A 11 8.112 1.326 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 11 10.481 2.576 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.630 3.090 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.310 2.593 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.022 0.758 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.872 0.217 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.631 -0.255 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.073 1.405 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.640 0.254 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.934 0.759 -2.365 1.00 0.00 H new ATOM 162 N GLU A 12 8.653 0.444 2.315 1.00 0.00 N ATOM 163 CA GLU A 12 8.436 -0.700 3.227 1.00 0.00 C ATOM 164 C GLU A 12 7.001 -1.189 3.074 1.00 0.00 C ATOM 165 O GLU A 12 6.754 -2.355 2.840 1.00 0.00 O ATOM 166 CB GLU A 12 8.682 -0.157 4.624 1.00 0.00 C ATOM 167 CG GLU A 12 9.877 -0.878 5.252 1.00 0.00 C ATOM 168 CD GLU A 12 10.215 -0.230 6.596 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.366 -0.251 7.472 1.00 0.00 O ATOM 170 OE2 GLU A 12 11.317 0.276 6.728 1.00 0.00 O ATOM 0 H GLU A 12 8.969 1.305 2.761 1.00 0.00 H new ATOM 0 HA GLU A 12 9.095 -1.543 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.873 0.915 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.795 -0.297 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.645 -1.934 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.738 -0.827 4.585 1.00 0.00 H new ATOM 177 N SER A 13 6.048 -0.301 3.180 1.00 0.00 N ATOM 178 CA SER A 13 4.642 -0.720 3.013 1.00 0.00 C ATOM 179 C SER A 13 4.477 -1.340 1.631 1.00 0.00 C ATOM 180 O SER A 13 4.002 -2.451 1.495 1.00 0.00 O ATOM 181 CB SER A 13 3.821 0.566 3.146 1.00 0.00 C ATOM 182 OG SER A 13 2.914 0.433 4.232 1.00 0.00 O ATOM 0 H SER A 13 6.190 0.690 3.374 1.00 0.00 H new ATOM 0 HA SER A 13 4.323 -1.462 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.481 1.417 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.275 0.760 2.223 1.00 0.00 H new ATOM 0 HG SER A 13 2.023 0.210 3.889 1.00 0.00 H new ATOM 188 N LEU A 14 4.883 -0.648 0.601 1.00 0.00 N ATOM 189 CA LEU A 14 4.758 -1.238 -0.760 1.00 0.00 C ATOM 190 C LEU A 14 5.574 -2.528 -0.826 1.00 0.00 C ATOM 191 O LEU A 14 5.267 -3.429 -1.580 1.00 0.00 O ATOM 192 CB LEU A 14 5.325 -0.185 -1.714 1.00 0.00 C ATOM 193 CG LEU A 14 4.369 0.006 -2.892 1.00 0.00 C ATOM 194 CD1 LEU A 14 4.340 -1.267 -3.739 1.00 0.00 C ATOM 195 CD2 LEU A 14 2.962 0.298 -2.366 1.00 0.00 C ATOM 0 H LEU A 14 5.290 0.286 0.642 1.00 0.00 H new ATOM 0 HA LEU A 14 3.729 -1.488 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.464 0.760 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.305 -0.496 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 14 4.710 0.842 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.658 -1.130 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.341 -1.477 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.000 -2.103 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.281 0.434 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.622 -0.537 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.980 1.206 -1.763 1.00 0.00 H new ATOM 207 N SER A 15 6.606 -2.632 -0.032 1.00 0.00 N ATOM 208 CA SER A 15 7.422 -3.867 -0.046 1.00 0.00 C ATOM 209 C SER A 15 6.591 -5.041 0.469 1.00 0.00 C ATOM 210 O SER A 15 6.682 -6.144 -0.033 1.00 0.00 O ATOM 211 CB SER A 15 8.596 -3.583 0.891 1.00 0.00 C ATOM 212 OG SER A 15 9.560 -4.619 0.762 1.00 0.00 O ATOM 0 H SER A 15 6.914 -1.913 0.623 1.00 0.00 H new ATOM 0 HA SER A 15 7.763 -4.130 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.045 -2.620 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.247 -3.521 1.922 1.00 0.00 H new ATOM 0 HG SER A 15 10.315 -4.440 1.360 1.00 0.00 H new ATOM 218 N GLN A 16 5.782 -4.818 1.471 1.00 0.00 N ATOM 219 CA GLN A 16 4.959 -5.919 2.010 1.00 0.00 C ATOM 220 C GLN A 16 3.939 -6.383 0.969 1.00 0.00 C ATOM 221 O GLN A 16 3.466 -7.501 1.013 1.00 0.00 O ATOM 222 CB GLN A 16 4.288 -5.322 3.249 1.00 0.00 C ATOM 223 CG GLN A 16 3.070 -4.486 2.847 1.00 0.00 C ATOM 224 CD GLN A 16 1.800 -5.156 3.369 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.054 -4.566 4.125 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.518 -6.375 2.995 1.00 0.00 N ATOM 0 H GLN A 16 5.661 -3.917 1.934 1.00 0.00 H new ATOM 0 HA GLN A 16 5.542 -6.805 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.982 -6.121 3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.000 -4.701 3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.156 -3.478 3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.024 -4.389 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.144 -6.871 2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.672 -6.831 3.338 1.00 0.00 H new ATOM 235 N MET A 17 3.610 -5.552 0.020 1.00 0.00 N ATOM 236 CA MET A 17 2.643 -5.987 -1.021 1.00 0.00 C ATOM 237 C MET A 17 3.382 -6.828 -2.055 1.00 0.00 C ATOM 238 O MET A 17 2.795 -7.611 -2.775 1.00 0.00 O ATOM 239 CB MET A 17 2.106 -4.704 -1.649 1.00 0.00 C ATOM 240 CG MET A 17 0.578 -4.731 -1.618 1.00 0.00 C ATOM 241 SD MET A 17 0.015 -4.964 0.087 1.00 0.00 S ATOM 242 CE MET A 17 -1.421 -3.868 -0.006 1.00 0.00 C ATOM 0 H MET A 17 3.965 -4.601 -0.078 1.00 0.00 H new ATOM 0 HA MET A 17 1.830 -6.590 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.477 -3.836 -1.105 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.459 -4.612 -2.676 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.179 -3.800 -2.020 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.205 -5.537 -2.249 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.611 -3.433 0.975 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.225 -3.072 -0.724 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.294 -4.438 -0.325 1.00 0.00 H new ATOM 252 N LEU A 18 4.679 -6.680 -2.121 1.00 0.00 N ATOM 253 CA LEU A 18 5.465 -7.480 -3.094 1.00 0.00 C ATOM 254 C LEU A 18 5.585 -8.915 -2.589 1.00 0.00 C ATOM 255 O LEU A 18 5.874 -9.829 -3.336 1.00 0.00 O ATOM 256 CB LEU A 18 6.836 -6.804 -3.156 1.00 0.00 C ATOM 257 CG LEU A 18 7.557 -7.220 -4.438 1.00 0.00 C ATOM 258 CD1 LEU A 18 7.073 -6.353 -5.602 1.00 0.00 C ATOM 259 CD2 LEU A 18 9.065 -7.032 -4.258 1.00 0.00 C ATOM 0 H LEU A 18 5.223 -6.040 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 18 5.001 -7.522 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.720 -5.721 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.430 -7.084 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 18 7.342 -8.267 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.588 -6.650 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.999 -6.484 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.287 -5.306 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.580 -7.328 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.278 -5.985 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.412 -7.649 -3.429 1.00 0.00 H new ATOM 271 N SER A 19 5.355 -9.121 -1.322 1.00 0.00 N ATOM 272 CA SER A 19 5.445 -10.501 -0.766 1.00 0.00 C ATOM 273 C SER A 19 4.054 -11.002 -0.367 1.00 0.00 C ATOM 274 O SER A 19 3.873 -11.589 0.681 1.00 0.00 O ATOM 275 CB SER A 19 6.348 -10.377 0.460 1.00 0.00 C ATOM 276 OG SER A 19 5.553 -10.085 1.601 1.00 0.00 O ATOM 0 H SER A 19 5.109 -8.396 -0.648 1.00 0.00 H new ATOM 0 HA SER A 19 5.841 -11.214 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.900 -11.304 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.085 -9.589 0.305 1.00 0.00 H new ATOM 0 HG SER A 19 5.002 -10.864 1.824 1.00 0.00 H new ATOM 282 N MET A 20 3.070 -10.772 -1.194 1.00 0.00 N ATOM 283 CA MET A 20 1.692 -11.234 -0.859 1.00 0.00 C ATOM 284 C MET A 20 1.028 -11.894 -2.063 1.00 0.00 C ATOM 285 O MET A 20 0.619 -13.038 -2.020 1.00 0.00 O ATOM 286 CB MET A 20 0.935 -9.968 -0.478 1.00 0.00 C ATOM 287 CG MET A 20 -0.141 -10.301 0.557 1.00 0.00 C ATOM 288 SD MET A 20 0.634 -10.994 2.040 1.00 0.00 S ATOM 289 CE MET A 20 -0.114 -12.639 1.942 1.00 0.00 C ATOM 0 H MET A 20 3.160 -10.285 -2.086 1.00 0.00 H new ATOM 0 HA MET A 20 1.701 -11.975 -0.060 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.625 -9.228 -0.073 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.477 -9.526 -1.363 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.703 -9.403 0.814 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.853 -11.013 0.140 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.432 -13.326 2.588 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.154 -12.586 2.265 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.072 -12.997 0.913 1.00 0.00 H new ATOM 299 N GLY A 21 0.889 -11.160 -3.117 1.00 0.00 N ATOM 300 CA GLY A 21 0.220 -11.681 -4.328 1.00 0.00 C ATOM 301 C GLY A 21 -0.914 -10.727 -4.628 1.00 0.00 C ATOM 302 O GLY A 21 -2.053 -11.109 -4.812 1.00 0.00 O ATOM 0 H GLY A 21 1.218 -10.198 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.916 -11.733 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.155 -12.691 -4.161 1.00 0.00 H new ATOM 306 N PHE A 22 -0.601 -9.473 -4.586 1.00 0.00 N ATOM 307 CA PHE A 22 -1.631 -8.431 -4.766 1.00 0.00 C ATOM 308 C PHE A 22 -1.732 -7.899 -6.191 1.00 0.00 C ATOM 309 O PHE A 22 -1.025 -8.300 -7.093 1.00 0.00 O ATOM 310 CB PHE A 22 -1.177 -7.333 -3.814 1.00 0.00 C ATOM 311 CG PHE A 22 -1.688 -7.641 -2.438 1.00 0.00 C ATOM 312 CD1 PHE A 22 -2.023 -8.951 -2.085 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.845 -6.614 -1.523 1.00 0.00 C ATOM 314 CE1 PHE A 22 -2.514 -9.225 -0.816 1.00 0.00 C ATOM 315 CE2 PHE A 22 -2.345 -6.883 -0.251 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.679 -8.192 0.105 1.00 0.00 C ATOM 0 H PHE A 22 0.343 -9.120 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.628 -8.822 -4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.089 -7.267 -3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.552 -6.366 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.900 -9.751 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.580 -5.603 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.768 -10.238 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.474 -6.080 0.460 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.064 -8.403 1.092 1.00 0.00 H new ATOM 326 N SER A 23 -2.648 -6.991 -6.366 1.00 0.00 N ATOM 327 CA SER A 23 -2.901 -6.370 -7.686 1.00 0.00 C ATOM 328 C SER A 23 -2.608 -4.872 -7.645 1.00 0.00 C ATOM 329 O SER A 23 -1.882 -4.386 -6.802 1.00 0.00 O ATOM 330 CB SER A 23 -4.396 -6.573 -7.920 1.00 0.00 C ATOM 331 OG SER A 23 -4.591 -7.514 -8.967 1.00 0.00 O ATOM 0 H SER A 23 -3.251 -6.645 -5.619 1.00 0.00 H new ATOM 0 HA SER A 23 -2.274 -6.806 -8.464 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.873 -6.927 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.866 -5.624 -8.178 1.00 0.00 H new ATOM 0 HG SER A 23 -5.551 -7.645 -9.115 1.00 0.00 H new ATOM 337 N ASP A 24 -3.188 -4.139 -8.555 1.00 0.00 N ATOM 338 CA ASP A 24 -2.979 -2.663 -8.581 1.00 0.00 C ATOM 339 C ASP A 24 -4.263 -1.928 -9.000 1.00 0.00 C ATOM 340 O ASP A 24 -4.355 -0.725 -8.875 1.00 0.00 O ATOM 341 CB ASP A 24 -1.873 -2.437 -9.609 1.00 0.00 C ATOM 342 CG ASP A 24 -1.333 -1.013 -9.475 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.532 -0.420 -8.428 1.00 0.00 O ATOM 344 OD2 ASP A 24 -0.729 -0.539 -10.423 1.00 0.00 O ATOM 0 H ASP A 24 -3.801 -4.501 -9.286 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.713 -2.277 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.069 -3.157 -9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.260 -2.597 -10.615 1.00 0.00 H new ATOM 349 N GLU A 25 -5.248 -2.636 -9.491 1.00 0.00 N ATOM 350 CA GLU A 25 -6.518 -1.976 -9.919 1.00 0.00 C ATOM 351 C GLU A 25 -6.214 -0.646 -10.607 1.00 0.00 C ATOM 352 O GLU A 25 -5.240 -0.519 -11.324 1.00 0.00 O ATOM 353 CB GLU A 25 -7.305 -1.747 -8.628 1.00 0.00 C ATOM 354 CG GLU A 25 -8.792 -1.992 -8.889 1.00 0.00 C ATOM 355 CD GLU A 25 -8.995 -3.424 -9.386 1.00 0.00 C ATOM 356 OE1 GLU A 25 -8.058 -4.200 -9.291 1.00 0.00 O ATOM 357 OE2 GLU A 25 -10.083 -3.720 -9.852 1.00 0.00 O ATOM 0 H GLU A 25 -5.227 -3.648 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.078 -2.582 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.946 -2.417 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.150 -0.729 -8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.364 -1.829 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.164 -1.283 -9.629 1.00 0.00 H new ATOM 364 N GLY A 26 -7.026 0.351 -10.389 1.00 0.00 N ATOM 365 CA GLY A 26 -6.757 1.669 -11.028 1.00 0.00 C ATOM 366 C GLY A 26 -5.278 2.004 -10.847 1.00 0.00 C ATOM 367 O GLY A 26 -4.691 2.727 -11.627 1.00 0.00 O ATOM 0 H GLY A 26 -7.858 0.311 -9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.010 1.635 -12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.378 2.442 -10.577 1.00 0.00 H new ATOM 371 N GLY A 27 -4.673 1.474 -9.819 1.00 0.00 N ATOM 372 CA GLY A 27 -3.239 1.741 -9.571 1.00 0.00 C ATOM 373 C GLY A 27 -3.022 2.035 -8.086 1.00 0.00 C ATOM 374 O GLY A 27 -2.356 2.986 -7.728 1.00 0.00 O ATOM 0 H GLY A 27 -5.121 0.862 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.641 0.881 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.907 2.587 -10.172 1.00 0.00 H new ATOM 378 N TRP A 28 -3.583 1.239 -7.211 1.00 0.00 N ATOM 379 CA TRP A 28 -3.403 1.502 -5.765 1.00 0.00 C ATOM 380 C TRP A 28 -2.060 0.966 -5.269 1.00 0.00 C ATOM 381 O TRP A 28 -1.465 1.530 -4.376 1.00 0.00 O ATOM 382 CB TRP A 28 -4.569 0.797 -5.080 1.00 0.00 C ATOM 383 CG TRP A 28 -4.506 -0.671 -5.286 1.00 0.00 C ATOM 384 CD1 TRP A 28 -5.299 -1.359 -6.117 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.655 -1.640 -4.647 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.979 -2.701 -6.040 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.971 -2.920 -5.145 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.648 -1.535 -3.698 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.309 -4.052 -4.711 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -1.986 -2.661 -3.255 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.309 -3.922 -3.755 1.00 0.00 C ATOM 0 H TRP A 28 -4.153 0.425 -7.441 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.395 2.570 -5.546 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.554 1.018 -4.013 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.511 1.182 -5.472 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.066 -0.933 -6.747 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.437 -3.434 -6.582 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.381 -0.566 -3.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.565 -5.023 -5.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.208 -2.565 -2.512 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.783 -4.796 -3.400 1.00 0.00 H new ATOM 402 N LEU A 29 -1.548 -0.091 -5.825 1.00 0.00 N ATOM 403 CA LEU A 29 -0.234 -0.567 -5.324 1.00 0.00 C ATOM 404 C LEU A 29 0.735 0.618 -5.287 1.00 0.00 C ATOM 405 O LEU A 29 1.688 0.631 -4.538 1.00 0.00 O ATOM 406 CB LEU A 29 0.225 -1.651 -6.299 1.00 0.00 C ATOM 407 CG LEU A 29 0.234 -2.991 -5.557 1.00 0.00 C ATOM 408 CD1 LEU A 29 0.849 -4.085 -6.425 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.048 -2.851 -4.270 1.00 0.00 C ATOM 0 H LEU A 29 -1.966 -0.632 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.285 -0.976 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.444 -1.697 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.220 -1.422 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.794 -3.267 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.845 -5.028 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.267 -4.194 -7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.875 -3.816 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.056 -3.803 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.070 -2.563 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.598 -2.087 -3.636 1.00 0.00 H new ATOM 421 N THR A 30 0.477 1.629 -6.073 1.00 0.00 N ATOM 422 CA THR A 30 1.358 2.832 -6.064 1.00 0.00 C ATOM 423 C THR A 30 0.694 3.969 -5.271 1.00 0.00 C ATOM 424 O THR A 30 1.349 4.714 -4.570 1.00 0.00 O ATOM 425 CB THR A 30 1.520 3.225 -7.532 1.00 0.00 C ATOM 426 OG1 THR A 30 2.184 2.179 -8.229 1.00 0.00 O ATOM 427 CG2 THR A 30 2.346 4.510 -7.631 1.00 0.00 C ATOM 0 H THR A 30 -0.308 1.673 -6.723 1.00 0.00 H new ATOM 0 HA THR A 30 2.320 2.633 -5.591 1.00 0.00 H new ATOM 0 HB THR A 30 0.538 3.392 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.288 2.428 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.461 4.789 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.837 5.312 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.329 4.346 -7.190 1.00 0.00 H new ATOM 435 N ARG A 31 -0.603 4.113 -5.390 1.00 0.00 N ATOM 436 CA ARG A 31 -1.314 5.208 -4.658 1.00 0.00 C ATOM 437 C ARG A 31 -1.919 4.688 -3.350 1.00 0.00 C ATOM 438 O ARG A 31 -1.970 5.399 -2.366 1.00 0.00 O ATOM 439 CB ARG A 31 -2.419 5.661 -5.613 1.00 0.00 C ATOM 440 CG ARG A 31 -2.628 7.170 -5.473 1.00 0.00 C ATOM 441 CD ARG A 31 -3.581 7.658 -6.568 1.00 0.00 C ATOM 442 NE ARG A 31 -4.840 6.892 -6.353 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.361 6.205 -7.333 1.00 0.00 C ATOM 444 NH1 ARG A 31 -4.904 5.014 -7.610 1.00 0.00 N ATOM 445 NH2 ARG A 31 -6.339 6.708 -8.036 1.00 0.00 N ATOM 0 H ARG A 31 -1.201 3.519 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.640 6.020 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.150 5.414 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.346 5.133 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.038 7.401 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.672 7.689 -5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.754 8.731 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.170 7.472 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.295 6.904 -5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.140 4.620 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.311 4.477 -8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.697 7.638 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.746 6.171 -8.802 1.00 0.00 H new ATOM 459 N LEU A 32 -2.377 3.458 -3.336 1.00 0.00 N ATOM 460 CA LEU A 32 -2.980 2.878 -2.093 1.00 0.00 C ATOM 461 C LEU A 32 -2.251 3.428 -0.867 1.00 0.00 C ATOM 462 O LEU A 32 -2.819 4.104 -0.033 1.00 0.00 O ATOM 463 CB LEU A 32 -2.744 1.380 -2.175 1.00 0.00 C ATOM 464 CG LEU A 32 -3.531 0.690 -1.057 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.030 0.908 -1.272 1.00 0.00 C ATOM 466 CD2 LEU A 32 -3.233 -0.811 -1.063 1.00 0.00 C ATOM 0 H LEU A 32 -2.359 2.827 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.039 3.123 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.060 1.002 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.681 1.160 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.234 1.115 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.587 0.416 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.248 1.976 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.325 0.488 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.795 -1.297 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.524 -1.236 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.167 -0.971 -0.904 1.00 0.00 H new ATOM 478 N LEU A 33 -0.970 3.156 -0.779 1.00 0.00 N ATOM 479 CA LEU A 33 -0.162 3.673 0.360 1.00 0.00 C ATOM 480 C LEU A 33 -0.429 5.166 0.505 1.00 0.00 C ATOM 481 O LEU A 33 -0.799 5.657 1.553 1.00 0.00 O ATOM 482 CB LEU A 33 1.295 3.449 -0.063 1.00 0.00 C ATOM 483 CG LEU A 33 1.982 2.449 0.869 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.048 1.271 1.135 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.258 1.941 0.205 1.00 0.00 C ATOM 0 H LEU A 33 -0.451 2.594 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.395 3.186 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.328 3.080 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.833 4.397 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 33 2.225 2.938 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.539 0.560 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.132 1.631 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.805 0.779 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.752 1.228 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.008 1.452 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.926 2.780 0.012 1.00 0.00 H new ATOM 497 N GLN A 34 -0.237 5.880 -0.564 1.00 0.00 N ATOM 498 CA GLN A 34 -0.458 7.338 -0.560 1.00 0.00 C ATOM 499 C GLN A 34 -1.918 7.667 -0.225 1.00 0.00 C ATOM 500 O GLN A 34 -2.215 8.706 0.332 1.00 0.00 O ATOM 501 CB GLN A 34 -0.124 7.748 -1.990 1.00 0.00 C ATOM 502 CG GLN A 34 1.363 8.086 -2.093 1.00 0.00 C ATOM 503 CD GLN A 34 1.549 9.304 -2.999 1.00 0.00 C ATOM 504 OE1 GLN A 34 1.552 10.427 -2.534 1.00 0.00 O ATOM 505 NE2 GLN A 34 1.706 9.127 -4.282 1.00 0.00 N ATOM 0 H GLN A 34 0.071 5.500 -1.459 1.00 0.00 H new ATOM 0 HA GLN A 34 0.143 7.859 0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.372 6.940 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.724 8.610 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.769 8.291 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.913 7.235 -2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.703 8.184 -4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.831 9.932 -4.896 1.00 0.00 H new ATOM 514 N THR A 35 -2.836 6.801 -0.571 1.00 0.00 N ATOM 515 CA THR A 35 -4.267 7.083 -0.282 1.00 0.00 C ATOM 516 C THR A 35 -4.512 7.227 1.224 1.00 0.00 C ATOM 517 O THR A 35 -5.302 8.045 1.653 1.00 0.00 O ATOM 518 CB THR A 35 -5.032 5.886 -0.832 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.173 5.108 -1.651 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.224 6.374 -1.656 1.00 0.00 C ATOM 0 H THR A 35 -2.653 5.914 -1.040 1.00 0.00 H new ATOM 0 HA THR A 35 -4.587 8.021 -0.737 1.00 0.00 H new ATOM 0 HB THR A 35 -5.392 5.275 -0.004 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.622 5.701 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.770 5.516 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.885 6.967 -1.024 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.868 6.987 -2.484 1.00 0.00 H new ATOM 528 N LYS A 36 -3.855 6.440 2.032 1.00 0.00 N ATOM 529 CA LYS A 36 -4.079 6.546 3.504 1.00 0.00 C ATOM 530 C LYS A 36 -2.773 6.335 4.276 1.00 0.00 C ATOM 531 O LYS A 36 -2.645 5.406 5.048 1.00 0.00 O ATOM 532 CB LYS A 36 -5.075 5.433 3.830 1.00 0.00 C ATOM 533 CG LYS A 36 -6.492 5.902 3.497 1.00 0.00 C ATOM 534 CD LYS A 36 -6.915 5.330 2.143 1.00 0.00 C ATOM 535 CE LYS A 36 -8.163 4.462 2.321 1.00 0.00 C ATOM 536 NZ LYS A 36 -7.651 3.066 2.401 1.00 0.00 N ATOM 0 H LYS A 36 -3.179 5.734 1.741 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.449 7.532 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.834 4.536 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.007 5.167 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.185 5.578 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.529 6.991 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.119 6.140 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.105 4.737 1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.708 4.735 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.851 4.583 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.449 2.410 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.142 2.832 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.004 2.979 3.211 1.00 0.00 H new ATOM 550 N ASN A 37 -1.808 7.195 4.082 1.00 0.00 N ATOM 551 CA ASN A 37 -0.518 7.047 4.813 1.00 0.00 C ATOM 552 C ASN A 37 -0.103 5.577 4.864 1.00 0.00 C ATOM 553 O ASN A 37 -0.179 4.935 5.893 1.00 0.00 O ATOM 554 CB ASN A 37 -0.805 7.576 6.217 1.00 0.00 C ATOM 555 CG ASN A 37 0.455 7.465 7.076 1.00 0.00 C ATOM 556 OD1 ASN A 37 1.349 8.282 6.972 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.567 6.481 7.926 1.00 0.00 N ATOM 0 H ASN A 37 -1.859 7.993 3.449 1.00 0.00 H new ATOM 0 HA ASN A 37 0.298 7.586 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.131 8.615 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.618 7.009 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.404 6.398 8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.183 5.795 8.014 1.00 0.00 H new ATOM 564 N TYR A 38 0.339 5.044 3.759 1.00 0.00 N ATOM 565 CA TYR A 38 0.768 3.613 3.730 1.00 0.00 C ATOM 566 C TYR A 38 -0.175 2.752 4.564 1.00 0.00 C ATOM 567 O TYR A 38 0.230 2.045 5.464 1.00 0.00 O ATOM 568 CB TYR A 38 2.185 3.620 4.299 1.00 0.00 C ATOM 569 CG TYR A 38 2.968 4.721 3.619 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.584 5.166 2.345 1.00 0.00 C ATOM 571 CD2 TYR A 38 4.059 5.309 4.262 1.00 0.00 C ATOM 572 CE1 TYR A 38 3.285 6.187 1.720 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.761 6.340 3.633 1.00 0.00 C ATOM 574 CZ TYR A 38 4.372 6.780 2.360 1.00 0.00 C ATOM 575 OH TYR A 38 5.064 7.802 1.742 1.00 0.00 O ATOM 0 H TYR A 38 0.423 5.538 2.870 1.00 0.00 H new ATOM 0 HA TYR A 38 0.744 3.188 2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.160 3.783 5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.665 2.655 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.739 4.712 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.359 4.968 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.988 6.523 0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.604 6.799 4.128 1.00 0.00 H new ATOM 0 HH TYR A 38 5.538 8.331 2.417 1.00 0.00 H new ATOM 585 N ASP A 39 -1.436 2.802 4.245 1.00 0.00 N ATOM 586 CA ASP A 39 -2.436 1.983 4.985 1.00 0.00 C ATOM 587 C ASP A 39 -2.580 0.621 4.308 1.00 0.00 C ATOM 588 O ASP A 39 -3.586 -0.045 4.447 1.00 0.00 O ATOM 589 CB ASP A 39 -3.742 2.772 4.888 1.00 0.00 C ATOM 590 CG ASP A 39 -4.217 3.152 6.293 1.00 0.00 C ATOM 591 OD1 ASP A 39 -3.384 3.549 7.090 1.00 0.00 O ATOM 592 OD2 ASP A 39 -5.404 3.040 6.546 1.00 0.00 O ATOM 0 H ASP A 39 -1.821 3.379 3.498 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.150 1.803 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.593 3.670 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.503 2.175 4.385 1.00 0.00 H new ATOM 597 N ILE A 40 -1.580 0.195 3.577 1.00 0.00 N ATOM 598 CA ILE A 40 -1.676 -1.123 2.902 1.00 0.00 C ATOM 599 C ILE A 40 -1.857 -2.215 3.958 1.00 0.00 C ATOM 600 O ILE A 40 -2.244 -3.321 3.651 1.00 0.00 O ATOM 601 CB ILE A 40 -0.371 -1.258 2.097 1.00 0.00 C ATOM 602 CG1 ILE A 40 -0.689 -0.980 0.621 1.00 0.00 C ATOM 603 CG2 ILE A 40 0.232 -2.663 2.241 1.00 0.00 C ATOM 604 CD1 ILE A 40 0.531 -1.290 -0.253 1.00 0.00 C ATOM 0 H ILE A 40 -0.709 0.703 3.423 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.531 -1.216 2.232 1.00 0.00 H new ATOM 0 HB ILE A 40 0.360 -0.545 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.536 -1.588 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.980 0.063 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.152 -2.725 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.451 -2.859 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.479 -3.403 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.291 -1.088 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.368 -0.663 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.803 -2.339 -0.139 1.00 0.00 H new ATOM 616 N GLY A 41 -1.622 -1.901 5.205 1.00 0.00 N ATOM 617 CA GLY A 41 -1.835 -2.916 6.273 1.00 0.00 C ATOM 618 C GLY A 41 -3.342 -3.044 6.469 1.00 0.00 C ATOM 619 O GLY A 41 -3.904 -4.120 6.419 1.00 0.00 O ATOM 0 H GLY A 41 -1.294 -0.990 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.400 -3.874 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.350 -2.609 7.200 1.00 0.00 H new ATOM 623 N ALA A 42 -4.008 -1.937 6.639 1.00 0.00 N ATOM 624 CA ALA A 42 -5.478 -1.965 6.771 1.00 0.00 C ATOM 625 C ALA A 42 -6.045 -2.254 5.390 1.00 0.00 C ATOM 626 O ALA A 42 -6.990 -3.002 5.231 1.00 0.00 O ATOM 627 CB ALA A 42 -5.862 -0.564 7.248 1.00 0.00 C ATOM 0 H ALA A 42 -3.587 -1.009 6.692 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.854 -2.718 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.944 -0.505 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.377 -0.359 8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.539 0.172 6.512 1.00 0.00 H new ATOM 633 N ALA A 43 -5.431 -1.699 4.381 1.00 0.00 N ATOM 634 CA ALA A 43 -5.889 -1.981 3.003 1.00 0.00 C ATOM 635 C ALA A 43 -5.637 -3.460 2.736 1.00 0.00 C ATOM 636 O ALA A 43 -6.444 -4.134 2.134 1.00 0.00 O ATOM 637 CB ALA A 43 -5.027 -1.107 2.092 1.00 0.00 C ATOM 0 H ALA A 43 -4.635 -1.065 4.457 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.946 -1.769 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.316 -1.268 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.172 -0.058 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.977 -1.371 2.222 1.00 0.00 H new ATOM 643 N LEU A 44 -4.526 -3.974 3.224 1.00 0.00 N ATOM 644 CA LEU A 44 -4.217 -5.425 3.043 1.00 0.00 C ATOM 645 C LEU A 44 -5.513 -6.212 3.108 1.00 0.00 C ATOM 646 O LEU A 44 -5.764 -7.089 2.316 1.00 0.00 O ATOM 647 CB LEU A 44 -3.317 -5.786 4.221 1.00 0.00 C ATOM 648 CG LEU A 44 -2.082 -6.550 3.741 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.502 -7.938 3.267 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.409 -5.798 2.587 1.00 0.00 C ATOM 0 H LEU A 44 -3.822 -3.446 3.740 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.737 -5.645 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.010 -4.879 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.872 -6.393 4.937 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.374 -6.638 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.625 -8.486 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.968 -8.478 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.214 -7.843 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.531 -6.352 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.111 -5.699 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.106 -4.807 2.926 1.00 0.00 H new ATOM 662 N ASP A 45 -6.355 -5.867 4.032 1.00 0.00 N ATOM 663 CA ASP A 45 -7.655 -6.564 4.137 1.00 0.00 C ATOM 664 C ASP A 45 -8.398 -6.426 2.811 1.00 0.00 C ATOM 665 O ASP A 45 -8.786 -7.399 2.195 1.00 0.00 O ATOM 666 CB ASP A 45 -8.366 -5.859 5.315 1.00 0.00 C ATOM 667 CG ASP A 45 -9.628 -5.126 4.841 1.00 0.00 C ATOM 668 OD1 ASP A 45 -9.497 -4.017 4.348 1.00 0.00 O ATOM 669 OD2 ASP A 45 -10.703 -5.688 4.977 1.00 0.00 O ATOM 0 H ASP A 45 -6.198 -5.131 4.720 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.584 -7.635 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.632 -6.594 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.684 -5.149 5.783 1.00 0.00 H new ATOM 674 N THR A 46 -8.570 -5.228 2.361 1.00 0.00 N ATOM 675 CA THR A 46 -9.254 -5.013 1.066 1.00 0.00 C ATOM 676 C THR A 46 -8.354 -5.494 -0.058 1.00 0.00 C ATOM 677 O THR A 46 -8.810 -5.972 -1.077 1.00 0.00 O ATOM 678 CB THR A 46 -9.497 -3.492 0.967 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.681 -3.256 0.219 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.309 -2.779 0.278 1.00 0.00 C ATOM 0 H THR A 46 -8.265 -4.379 2.836 1.00 0.00 H new ATOM 0 HA THR A 46 -10.193 -5.561 0.992 1.00 0.00 H new ATOM 0 HB THR A 46 -9.599 -3.093 1.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.841 -2.291 0.155 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.509 -1.709 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.399 -2.949 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.180 -3.176 -0.729 1.00 0.00 H new ATOM 688 N ILE A 47 -7.076 -5.353 0.114 1.00 0.00 N ATOM 689 CA ILE A 47 -6.158 -5.783 -0.951 1.00 0.00 C ATOM 690 C ILE A 47 -5.926 -7.300 -0.908 1.00 0.00 C ATOM 691 O ILE A 47 -5.418 -7.878 -1.846 1.00 0.00 O ATOM 692 CB ILE A 47 -4.896 -5.005 -0.735 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.246 -3.539 -0.525 1.00 0.00 C ATOM 694 CG2 ILE A 47 -4.077 -5.111 -2.000 1.00 0.00 C ATOM 695 CD1 ILE A 47 -6.010 -3.009 -1.742 1.00 0.00 C ATOM 0 H ILE A 47 -6.634 -4.959 0.945 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.566 -5.588 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.353 -5.388 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.852 -3.425 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.337 -2.957 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.147 -4.555 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.850 -6.158 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.642 -4.697 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.258 -1.959 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.389 -3.107 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.927 -3.583 -1.874 1.00 0.00 H new ATOM 707 N GLN A 48 -6.326 -7.979 0.139 1.00 0.00 N ATOM 708 CA GLN A 48 -6.151 -9.447 0.118 1.00 0.00 C ATOM 709 C GLN A 48 -7.476 -10.077 -0.310 1.00 0.00 C ATOM 710 O GLN A 48 -7.555 -11.256 -0.592 1.00 0.00 O ATOM 711 CB GLN A 48 -5.746 -9.896 1.514 1.00 0.00 C ATOM 712 CG GLN A 48 -4.590 -10.902 1.401 1.00 0.00 C ATOM 713 CD GLN A 48 -4.983 -12.034 0.443 1.00 0.00 C ATOM 714 OE1 GLN A 48 -6.048 -12.603 0.571 1.00 0.00 O ATOM 715 NE2 GLN A 48 -4.164 -12.399 -0.518 1.00 0.00 N ATOM 0 H GLN A 48 -6.752 -7.588 0.979 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.376 -9.755 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.440 -9.037 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.594 -10.353 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.693 -10.401 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.352 -11.310 2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.268 -11.925 -0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.425 -13.156 -1.150 1.00 0.00 H new ATOM 724 N TYR A 49 -8.516 -9.280 -0.390 1.00 0.00 N ATOM 725 CA TYR A 49 -9.831 -9.810 -0.831 1.00 0.00 C ATOM 726 C TYR A 49 -10.089 -11.190 -0.218 1.00 0.00 C ATOM 727 O TYR A 49 -10.722 -12.037 -0.817 1.00 0.00 O ATOM 728 CB TYR A 49 -9.690 -9.902 -2.348 1.00 0.00 C ATOM 729 CG TYR A 49 -9.162 -8.590 -2.891 1.00 0.00 C ATOM 730 CD1 TYR A 49 -7.783 -8.326 -2.879 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.049 -7.639 -3.408 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.295 -7.109 -3.384 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.561 -6.426 -3.913 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.186 -6.161 -3.900 1.00 0.00 C ATOM 735 OH TYR A 49 -7.709 -4.966 -4.397 1.00 0.00 O ATOM 0 H TYR A 49 -8.503 -8.285 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.669 -9.185 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.013 -10.715 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.655 -10.132 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.097 -9.059 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.110 -7.840 -3.418 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.234 -6.905 -3.374 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.247 -5.694 -4.313 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.459 -4.422 -4.717 1.00 0.00 H new ATOM 745 N SER A 50 -9.604 -11.420 0.971 1.00 0.00 N ATOM 746 CA SER A 50 -9.820 -12.745 1.623 1.00 0.00 C ATOM 747 C SER A 50 -9.622 -13.875 0.608 1.00 0.00 C ATOM 748 O SER A 50 -10.433 -14.773 0.500 1.00 0.00 O ATOM 749 CB SER A 50 -11.265 -12.714 2.116 1.00 0.00 C ATOM 750 OG SER A 50 -11.632 -14.008 2.577 1.00 0.00 O ATOM 0 H SER A 50 -9.067 -10.749 1.520 1.00 0.00 H new ATOM 0 HA SER A 50 -9.116 -12.923 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.372 -11.985 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.929 -12.400 1.311 1.00 0.00 H new ATOM 0 HG SER A 50 -11.628 -14.636 1.825 1.00 0.00 H new ATOM 756 N LYS A 51 -8.548 -13.839 -0.133 1.00 0.00 N ATOM 757 CA LYS A 51 -8.299 -14.912 -1.136 1.00 0.00 C ATOM 758 C LYS A 51 -9.524 -15.093 -2.037 1.00 0.00 C ATOM 759 O LYS A 51 -10.387 -15.908 -1.771 1.00 0.00 O ATOM 760 CB LYS A 51 -8.052 -16.173 -0.310 1.00 0.00 C ATOM 761 CG LYS A 51 -6.570 -16.259 0.057 1.00 0.00 C ATOM 762 CD LYS A 51 -6.376 -15.805 1.505 1.00 0.00 C ATOM 763 CE LYS A 51 -5.839 -16.971 2.340 1.00 0.00 C ATOM 764 NZ LYS A 51 -6.986 -17.396 3.191 1.00 0.00 N ATOM 0 H LYS A 51 -7.833 -13.113 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.458 -14.679 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.661 -16.154 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.349 -17.056 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.213 -17.281 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.981 -15.633 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.681 -14.966 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.322 -15.455 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.496 -17.787 1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.989 -16.662 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.695 -18.193 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.287 -16.601 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.778 -17.691 2.585 1.00 0.00 H new ATOM 778 N HIS A 52 -9.609 -14.341 -3.101 1.00 0.00 N ATOM 779 CA HIS A 52 -10.780 -14.474 -4.016 1.00 0.00 C ATOM 780 C HIS A 52 -10.807 -15.871 -4.640 1.00 0.00 C ATOM 781 O HIS A 52 -11.869 -16.283 -5.078 1.00 0.00 O ATOM 782 CB HIS A 52 -10.567 -13.408 -5.092 1.00 0.00 C ATOM 783 CG HIS A 52 -9.311 -13.714 -5.861 1.00 0.00 C ATOM 784 ND1 HIS A 52 -9.338 -14.266 -7.132 1.00 0.00 N ATOM 785 CD2 HIS A 52 -7.983 -13.550 -5.552 1.00 0.00 C ATOM 786 CE1 HIS A 52 -8.064 -14.411 -7.538 1.00 0.00 C ATOM 787 NE2 HIS A 52 -7.197 -13.991 -6.612 1.00 0.00 N ATOM 788 OXT HIS A 52 -9.766 -16.506 -4.670 1.00 0.00 O ATOM 0 H HIS A 52 -8.920 -13.641 -3.376 1.00 0.00 H new ATOM 0 HA HIS A 52 -11.728 -14.341 -3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.422 -13.382 -5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.494 -12.422 -4.633 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.606 -13.141 -4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.777 -14.818 -8.496 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.179 -13.993 -6.670 1.00 0.00 H new TER 796 HIS A 52