USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 6 THR OG1 : rot -121:sc= -0.252 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.29 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -42:sc= 0.442 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.358 USER MOD Single : A 59 SER OG : rot -119:sc= -0.823 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -5.161 10.604 -2.159 1.00 0.00 N ATOM 45 CA LEU A 4 -4.605 9.517 -1.356 1.00 0.00 C ATOM 46 C LEU A 4 -4.968 8.166 -1.965 1.00 0.00 C ATOM 47 O LEU A 4 -5.980 8.030 -2.653 1.00 0.00 O ATOM 48 CB LEU A 4 -5.148 9.578 0.080 1.00 0.00 C ATOM 49 CG LEU A 4 -4.349 10.587 0.918 1.00 0.00 C ATOM 50 CD1 LEU A 4 -2.884 10.150 1.003 1.00 0.00 C ATOM 51 CD2 LEU A 4 -4.431 11.979 0.281 1.00 0.00 C ATOM 0 HA LEU A 4 -3.521 9.631 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.200 9.862 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.091 8.591 0.538 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.773 10.625 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.323 10.870 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.824 9.167 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.460 10.101 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.862 12.688 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.017 11.943 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.473 12.297 0.234 1.00 0.00 H new ATOM 63 N LEU A 5 -4.132 7.167 -1.698 1.00 0.00 N ATOM 64 CA LEU A 5 -4.372 5.824 -2.218 1.00 0.00 C ATOM 65 C LEU A 5 -4.906 4.920 -1.107 1.00 0.00 C ATOM 66 O LEU A 5 -4.552 5.075 0.060 1.00 0.00 O ATOM 67 CB LEU A 5 -3.070 5.229 -2.783 1.00 0.00 C ATOM 68 CG LEU A 5 -3.264 4.848 -4.255 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.516 6.110 -5.080 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.004 4.148 -4.771 1.00 0.00 C ATOM 0 H LEU A 5 -3.290 7.260 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.110 5.889 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.259 5.952 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.782 4.350 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.118 4.177 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.654 5.839 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.412 6.611 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.662 6.781 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.141 3.877 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.151 4.820 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.822 3.248 -4.184 1.00 0.00 H new ATOM 82 N THR A 6 -5.765 3.980 -1.481 1.00 0.00 N ATOM 83 CA THR A 6 -6.340 3.060 -0.503 1.00 0.00 C ATOM 84 C THR A 6 -6.222 1.618 -0.991 1.00 0.00 C ATOM 85 O THR A 6 -5.887 1.365 -2.148 1.00 0.00 O ATOM 86 CB THR A 6 -7.815 3.399 -0.254 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.371 2.464 0.660 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.592 3.346 -1.573 1.00 0.00 C ATOM 0 H THR A 6 -6.077 3.834 -2.441 1.00 0.00 H new ATOM 0 HA THR A 6 -5.786 3.166 0.430 1.00 0.00 H new ATOM 0 HB THR A 6 -7.884 4.403 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.126 2.003 0.238 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.639 3.588 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.171 4.068 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.520 2.345 -1.998 1.00 0.00 H new ATOM 96 N THR A 7 -6.508 0.674 -0.093 1.00 0.00 N ATOM 97 CA THR A 7 -6.445 -0.751 -0.428 1.00 0.00 C ATOM 98 C THR A 7 -7.325 -1.052 -1.642 1.00 0.00 C ATOM 99 O THR A 7 -6.961 -1.842 -2.519 1.00 0.00 O ATOM 100 CB THR A 7 -6.927 -1.586 0.762 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.178 -1.235 1.917 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.737 -3.072 0.463 1.00 0.00 C ATOM 0 H THR A 7 -6.785 0.869 0.869 1.00 0.00 H new ATOM 0 HA THR A 7 -5.412 -1.006 -0.663 1.00 0.00 H new ATOM 0 HB THR A 7 -7.985 -1.388 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.486 -1.767 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.082 -3.661 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.313 -3.341 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.681 -3.275 0.285 1.00 0.00 H new ATOM 110 N ASP A 8 -8.486 -0.399 -1.684 1.00 0.00 N ATOM 111 CA ASP A 8 -9.419 -0.579 -2.797 1.00 0.00 C ATOM 112 C ASP A 8 -8.727 -0.229 -4.112 1.00 0.00 C ATOM 113 O ASP A 8 -8.894 -0.911 -5.120 1.00 0.00 O ATOM 114 CB ASP A 8 -10.647 0.317 -2.620 1.00 0.00 C ATOM 115 CG ASP A 8 -11.301 0.022 -1.274 1.00 0.00 C ATOM 116 OD1 ASP A 8 -10.894 0.626 -0.296 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.200 -0.802 -1.243 1.00 0.00 O ATOM 0 H ASP A 8 -8.802 0.254 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.739 -1.621 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.356 1.366 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.358 0.142 -3.428 1.00 0.00 H new ATOM 122 N ASP A 9 -7.927 0.835 -4.074 1.00 0.00 N ATOM 123 CA ASP A 9 -7.184 1.259 -5.256 1.00 0.00 C ATOM 124 C ASP A 9 -6.156 0.194 -5.622 1.00 0.00 C ATOM 125 O ASP A 9 -5.852 -0.022 -6.794 1.00 0.00 O ATOM 126 CB ASP A 9 -6.463 2.585 -4.998 1.00 0.00 C ATOM 127 CG ASP A 9 -6.152 3.263 -6.328 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.106 2.977 -6.887 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.965 4.057 -6.770 1.00 0.00 O ATOM 0 H ASP A 9 -7.778 1.413 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.890 1.396 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.085 3.235 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.541 2.408 -4.444 1.00 0.00 H new ATOM 134 N LEU A 10 -5.629 -0.480 -4.593 1.00 0.00 N ATOM 135 CA LEU A 10 -4.637 -1.541 -4.794 1.00 0.00 C ATOM 136 C LEU A 10 -5.165 -2.592 -5.767 1.00 0.00 C ATOM 137 O LEU A 10 -4.562 -2.855 -6.803 1.00 0.00 O ATOM 138 CB LEU A 10 -4.328 -2.238 -3.461 1.00 0.00 C ATOM 139 CG LEU A 10 -2.893 -2.793 -3.450 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.670 -3.569 -2.151 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.672 -3.744 -4.634 1.00 0.00 C ATOM 0 H LEU A 10 -5.872 -0.310 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.735 -1.081 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.456 -1.533 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.037 -3.050 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.194 -1.960 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.655 -3.966 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.813 -2.903 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.383 -4.392 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.651 -4.126 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.373 -4.576 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.835 -3.206 -5.568 1.00 0.00 H new ATOM 153 N ARG A 11 -6.291 -3.197 -5.404 1.00 0.00 N ATOM 154 CA ARG A 11 -6.895 -4.237 -6.240 1.00 0.00 C ATOM 155 C ARG A 11 -7.228 -3.706 -7.634 1.00 0.00 C ATOM 156 O ARG A 11 -6.841 -4.289 -8.644 1.00 0.00 O ATOM 157 CB ARG A 11 -8.179 -4.760 -5.590 1.00 0.00 C ATOM 158 CG ARG A 11 -8.317 -6.261 -5.857 1.00 0.00 C ATOM 159 CD ARG A 11 -9.797 -6.619 -6.009 1.00 0.00 C ATOM 160 NE ARG A 11 -10.426 -6.781 -4.702 1.00 0.00 N ATOM 161 CZ ARG A 11 -10.881 -5.730 -4.026 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.101 -5.307 -4.219 1.00 0.00 N ATOM 163 NH2 ARG A 11 -10.109 -5.121 -3.167 1.00 0.00 N ATOM 0 H ARG A 11 -6.802 -2.990 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.169 -5.044 -6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.157 -4.572 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.043 -4.229 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.772 -6.532 -6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.877 -6.829 -5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.309 -5.838 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.896 -7.541 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.518 -7.714 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.706 -5.783 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.449 -4.501 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.156 -5.451 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.459 -4.315 -2.649 1.00 0.00 H new ATOM 177 N ARG A 12 -7.967 -2.601 -7.672 1.00 0.00 N ATOM 178 CA ARG A 12 -8.375 -1.996 -8.945 1.00 0.00 C ATOM 179 C ARG A 12 -7.175 -1.718 -9.856 1.00 0.00 C ATOM 180 O ARG A 12 -7.322 -1.614 -11.074 1.00 0.00 O ATOM 181 CB ARG A 12 -9.111 -0.679 -8.690 1.00 0.00 C ATOM 182 CG ARG A 12 -10.186 -0.474 -9.761 1.00 0.00 C ATOM 183 CD ARG A 12 -11.533 -0.972 -9.237 1.00 0.00 C ATOM 184 NE ARG A 12 -12.554 -0.887 -10.277 1.00 0.00 N ATOM 185 CZ ARG A 12 -13.736 -0.327 -10.033 1.00 0.00 C ATOM 186 NH1 ARG A 12 -14.621 -0.960 -9.314 1.00 0.00 N ATOM 187 NH2 ARG A 12 -14.009 0.856 -10.512 1.00 0.00 N ATOM 0 H ARG A 12 -8.296 -2.105 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.032 -2.709 -9.443 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.568 -0.692 -7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.406 0.152 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.255 0.581 -10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.916 -1.013 -10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.438 -2.003 -8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.835 -0.378 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.358 -1.263 -11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.407 -1.884 -8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.527 -0.531 -9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.316 1.351 -11.073 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.915 1.285 -10.325 1.00 0.00 H new ATOM 201 N ALA A 13 -5.992 -1.591 -9.261 1.00 0.00 N ATOM 202 CA ALA A 13 -4.786 -1.314 -10.042 1.00 0.00 C ATOM 203 C ALA A 13 -4.239 -2.593 -10.670 1.00 0.00 C ATOM 204 O ALA A 13 -4.015 -2.663 -11.879 1.00 0.00 O ATOM 205 CB ALA A 13 -3.705 -0.697 -9.153 1.00 0.00 C ATOM 0 H ALA A 13 -5.841 -1.674 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.057 -0.613 -10.832 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.814 -0.497 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.073 0.236 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.456 -1.390 -8.349 1.00 0.00 H new ATOM 211 N LEU A 14 -4.022 -3.601 -9.832 1.00 0.00 N ATOM 212 CA LEU A 14 -3.493 -4.881 -10.298 1.00 0.00 C ATOM 213 C LEU A 14 -4.391 -5.490 -11.376 1.00 0.00 C ATOM 214 O LEU A 14 -3.937 -6.281 -12.204 1.00 0.00 O ATOM 215 CB LEU A 14 -3.376 -5.859 -9.126 1.00 0.00 C ATOM 216 CG LEU A 14 -2.009 -5.690 -8.458 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.097 -6.118 -6.992 1.00 0.00 C ATOM 218 CD2 LEU A 14 -0.974 -6.559 -9.178 1.00 0.00 C ATOM 0 H LEU A 14 -4.203 -3.558 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.507 -4.699 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.171 -5.675 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.497 -6.883 -9.479 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.709 -4.644 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.123 -5.997 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.831 -5.499 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.400 -7.163 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.002 -6.437 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.276 -7.605 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.906 -6.254 -10.222 1.00 0.00 H new ATOM 230 N VAL A 15 -5.670 -5.113 -11.363 1.00 0.00 N ATOM 231 CA VAL A 15 -6.615 -5.628 -12.349 1.00 0.00 C ATOM 232 C VAL A 15 -6.427 -4.905 -13.680 1.00 0.00 C ATOM 233 O VAL A 15 -6.446 -5.519 -14.745 1.00 0.00 O ATOM 234 CB VAL A 15 -8.057 -5.430 -11.866 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.026 -6.106 -12.841 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.225 -6.053 -10.477 1.00 0.00 C ATOM 0 H VAL A 15 -6.070 -4.461 -10.689 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.426 -6.693 -12.481 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.273 -4.363 -11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.050 -5.963 -12.494 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.913 -5.664 -13.831 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.806 -7.172 -12.892 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.251 -5.911 -10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.004 -7.119 -10.527 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.540 -5.573 -9.778 1.00 0.00 H new ATOM 246 N GLU A 16 -6.244 -3.590 -13.602 1.00 0.00 N ATOM 247 CA GLU A 16 -6.049 -2.784 -14.804 1.00 0.00 C ATOM 248 C GLU A 16 -4.767 -3.192 -15.529 1.00 0.00 C ATOM 249 O GLU A 16 -4.639 -3.007 -16.740 1.00 0.00 O ATOM 250 CB GLU A 16 -5.968 -1.299 -14.445 1.00 0.00 C ATOM 251 CG GLU A 16 -7.381 -0.729 -14.314 1.00 0.00 C ATOM 252 CD GLU A 16 -7.328 0.597 -13.562 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.572 0.685 -12.608 1.00 0.00 O ATOM 254 OE2 GLU A 16 -8.043 1.505 -13.951 1.00 0.00 O ATOM 0 H GLU A 16 -6.227 -3.064 -12.729 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.902 -2.955 -15.460 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.424 -1.169 -13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.416 -0.758 -15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.818 -0.582 -15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.021 -1.434 -13.784 1.00 0.00 H new ATOM 261 N CYS A 17 -3.815 -3.748 -14.777 1.00 0.00 N ATOM 262 CA CYS A 17 -2.545 -4.176 -15.363 1.00 0.00 C ATOM 263 C CYS A 17 -2.777 -5.207 -16.465 1.00 0.00 C ATOM 264 O CYS A 17 -2.040 -5.261 -17.450 1.00 0.00 O ATOM 265 CB CYS A 17 -1.643 -4.790 -14.290 1.00 0.00 C ATOM 266 SG CYS A 17 -0.786 -3.473 -13.393 1.00 0.00 S ATOM 0 H CYS A 17 -3.898 -3.911 -13.773 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.062 -3.297 -15.789 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.238 -5.388 -13.599 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.918 -5.462 -14.750 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.022 -3.996 -12.480 1.00 0.00 H new ATOM 272 N ALA A 18 -3.811 -6.025 -16.288 1.00 0.00 N ATOM 273 CA ALA A 18 -4.134 -7.053 -17.274 1.00 0.00 C ATOM 274 C ALA A 18 -5.120 -6.510 -18.305 1.00 0.00 C ATOM 275 O ALA A 18 -4.818 -6.434 -19.496 1.00 0.00 O ATOM 276 CB ALA A 18 -4.748 -8.276 -16.592 1.00 0.00 C ATOM 0 H ALA A 18 -4.434 -5.998 -15.481 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.209 -7.344 -17.773 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.982 -9.031 -17.342 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.039 -8.686 -15.873 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.661 -7.983 -16.074 1.00 0.00 H new ATOM 400 N ASP A 29 -9.450 -9.886 2.589 1.00 0.00 N ATOM 401 CA ASP A 29 -8.321 -10.799 2.747 1.00 0.00 C ATOM 402 C ASP A 29 -7.721 -11.160 1.391 1.00 0.00 C ATOM 403 O ASP A 29 -8.058 -12.185 0.800 1.00 0.00 O ATOM 404 CB ASP A 29 -8.766 -12.083 3.450 1.00 0.00 C ATOM 405 CG ASP A 29 -7.538 -12.860 3.913 1.00 0.00 C ATOM 406 OD1 ASP A 29 -7.080 -12.603 5.015 1.00 0.00 O ATOM 407 OD2 ASP A 29 -7.076 -13.702 3.162 1.00 0.00 O ATOM 0 HA ASP A 29 -7.568 -10.293 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.400 -11.842 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.362 -12.694 2.772 1.00 0.00 H new ATOM 412 N PHE A 30 -6.821 -10.308 0.911 1.00 0.00 N ATOM 413 CA PHE A 30 -6.168 -10.548 -0.374 1.00 0.00 C ATOM 414 C PHE A 30 -4.772 -9.931 -0.381 1.00 0.00 C ATOM 415 O PHE A 30 -4.288 -9.462 -1.411 1.00 0.00 O ATOM 416 CB PHE A 30 -7.008 -9.967 -1.525 1.00 0.00 C ATOM 417 CG PHE A 30 -6.994 -8.447 -1.507 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.505 -7.746 -0.408 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.470 -7.743 -2.601 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.495 -6.345 -0.405 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.458 -6.345 -2.595 1.00 0.00 C ATOM 422 CZ PHE A 30 -6.972 -5.646 -1.499 1.00 0.00 C ATOM 0 H PHE A 30 -6.528 -9.454 1.385 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.079 -11.625 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.619 -10.325 -2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.035 -10.324 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.907 -8.285 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.075 -8.282 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.891 -5.804 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.052 -5.805 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.966 -4.566 -1.496 1.00 0.00 H new ATOM 432 N LEU A 31 -4.141 -9.920 0.786 1.00 0.00 N ATOM 433 CA LEU A 31 -2.810 -9.339 0.907 1.00 0.00 C ATOM 434 C LEU A 31 -1.873 -10.279 1.657 1.00 0.00 C ATOM 435 O LEU A 31 -1.481 -10.027 2.798 1.00 0.00 O ATOM 436 CB LEU A 31 -2.887 -7.991 1.626 1.00 0.00 C ATOM 437 CG LEU A 31 -3.896 -7.100 0.897 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.266 -5.901 1.774 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.281 -6.611 -0.418 1.00 0.00 C ATOM 0 H LEU A 31 -4.523 -10.301 1.652 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.412 -9.186 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.190 -8.133 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.906 -7.515 1.642 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.799 -7.674 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.984 -5.273 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.708 -6.254 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.370 -5.321 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.997 -5.976 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.376 -6.041 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.032 -7.468 -1.044 1.00 0.00 H new ATOM 451 N ASP A 32 -1.518 -11.365 0.984 1.00 0.00 N ATOM 452 CA ASP A 32 -0.617 -12.361 1.555 1.00 0.00 C ATOM 453 C ASP A 32 0.145 -13.059 0.434 1.00 0.00 C ATOM 454 O ASP A 32 1.367 -13.195 0.479 1.00 0.00 O ATOM 455 CB ASP A 32 -1.401 -13.403 2.355 1.00 0.00 C ATOM 456 CG ASP A 32 -1.694 -12.856 3.747 1.00 0.00 C ATOM 457 OD1 ASP A 32 -0.753 -12.680 4.505 1.00 0.00 O ATOM 458 OD2 ASP A 32 -2.855 -12.619 4.038 1.00 0.00 O ATOM 0 H ASP A 32 -1.840 -11.580 0.040 1.00 0.00 H new ATOM 0 HA ASP A 32 0.080 -11.856 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.333 -13.645 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.828 -14.328 2.429 1.00 0.00 H new ATOM 463 N LEU A 33 -0.601 -13.486 -0.582 1.00 0.00 N ATOM 464 CA LEU A 33 -0.008 -14.157 -1.733 1.00 0.00 C ATOM 465 C LEU A 33 -0.783 -13.791 -2.997 1.00 0.00 C ATOM 466 O LEU A 33 -0.940 -14.605 -3.907 1.00 0.00 O ATOM 467 CB LEU A 33 -0.040 -15.675 -1.548 1.00 0.00 C ATOM 468 CG LEU A 33 1.132 -16.109 -0.665 1.00 0.00 C ATOM 469 CD1 LEU A 33 0.667 -16.214 0.789 1.00 0.00 C ATOM 470 CD2 LEU A 33 1.645 -17.474 -1.134 1.00 0.00 C ATOM 0 H LEU A 33 -1.614 -13.379 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 33 1.029 -13.833 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.983 -15.976 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.018 -16.171 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 33 1.932 -15.373 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.503 -16.523 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.300 -15.244 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.134 -16.950 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.480 -17.784 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.843 -18.209 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.977 -17.402 -2.170 1.00 0.00 H new ATOM 482 N ARG A 34 -1.275 -12.553 -3.034 1.00 0.00 N ATOM 483 CA ARG A 34 -2.044 -12.078 -4.183 1.00 0.00 C ATOM 484 C ARG A 34 -1.207 -12.132 -5.457 1.00 0.00 C ATOM 485 O ARG A 34 -1.702 -12.501 -6.522 1.00 0.00 O ATOM 486 CB ARG A 34 -2.523 -10.640 -3.954 1.00 0.00 C ATOM 487 CG ARG A 34 -3.691 -10.325 -4.902 1.00 0.00 C ATOM 488 CD ARG A 34 -3.434 -8.998 -5.623 1.00 0.00 C ATOM 489 NE ARG A 34 -2.898 -9.236 -6.962 1.00 0.00 N ATOM 490 CZ ARG A 34 -3.693 -9.601 -7.964 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.832 -8.989 -8.151 1.00 0.00 N ATOM 492 NH2 ARG A 34 -3.335 -10.568 -8.763 1.00 0.00 N ATOM 0 H ARG A 34 -1.156 -11.867 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.908 -12.733 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.838 -10.512 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.704 -9.942 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.807 -11.128 -5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.623 -10.269 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.362 -8.430 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.733 -8.394 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.899 -9.120 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.112 -8.231 -7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.441 -9.269 -8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.445 -11.045 -8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.945 -10.847 -9.531 1.00 0.00 H new ATOM 506 N PHE A 35 0.066 -11.762 -5.342 1.00 0.00 N ATOM 507 CA PHE A 35 0.957 -11.779 -6.501 1.00 0.00 C ATOM 508 C PHE A 35 1.088 -13.199 -7.045 1.00 0.00 C ATOM 509 O PHE A 35 0.961 -13.434 -8.245 1.00 0.00 O ATOM 510 CB PHE A 35 2.349 -11.258 -6.129 1.00 0.00 C ATOM 511 CG PHE A 35 2.348 -9.747 -6.136 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.909 -9.046 -7.268 1.00 0.00 C ATOM 513 CD2 PHE A 35 2.787 -9.044 -5.007 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.906 -7.648 -7.268 1.00 0.00 C ATOM 515 CE2 PHE A 35 2.785 -7.645 -5.010 1.00 0.00 C ATOM 516 CZ PHE A 35 2.343 -6.948 -6.140 1.00 0.00 C ATOM 0 H PHE A 35 0.500 -11.451 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 35 0.525 -11.130 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.634 -11.626 -5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.089 -11.634 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.573 -9.586 -8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.127 -9.582 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.566 -7.109 -8.140 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.125 -7.103 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.340 -5.868 -6.140 1.00 0.00 H new ATOM 526 N GLU A 36 1.340 -14.143 -6.143 1.00 0.00 N ATOM 527 CA GLU A 36 1.483 -15.541 -6.542 1.00 0.00 C ATOM 528 C GLU A 36 0.116 -16.219 -6.582 1.00 0.00 C ATOM 529 O GLU A 36 -0.236 -17.004 -5.701 1.00 0.00 O ATOM 530 CB GLU A 36 2.392 -16.288 -5.562 1.00 0.00 C ATOM 531 CG GLU A 36 3.753 -15.593 -5.497 1.00 0.00 C ATOM 532 CD GLU A 36 4.754 -16.497 -4.784 1.00 0.00 C ATOM 533 OE1 GLU A 36 4.850 -17.653 -5.160 1.00 0.00 O ATOM 534 OE2 GLU A 36 5.409 -16.019 -3.873 1.00 0.00 O ATOM 0 H GLU A 36 1.448 -13.970 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 36 1.931 -15.569 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.936 -16.311 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.515 -17.323 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.105 -15.365 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.663 -14.644 -4.968 1.00 0.00 H new ATOM 541 N ASP A 37 -0.655 -15.900 -7.619 1.00 0.00 N ATOM 542 CA ASP A 37 -1.987 -16.478 -7.770 1.00 0.00 C ATOM 543 C ASP A 37 -2.388 -16.517 -9.242 1.00 0.00 C ATOM 544 O ASP A 37 -2.738 -17.569 -9.776 1.00 0.00 O ATOM 545 CB ASP A 37 -3.017 -15.655 -6.994 1.00 0.00 C ATOM 546 CG ASP A 37 -4.191 -16.545 -6.602 1.00 0.00 C ATOM 547 OD1 ASP A 37 -4.932 -16.940 -7.488 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.332 -16.820 -5.422 1.00 0.00 O ATOM 0 H ASP A 37 -0.384 -15.252 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.961 -17.493 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.559 -15.227 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.367 -14.822 -7.604 1.00 0.00 H new ATOM 553 N ILE A 38 -2.335 -15.357 -9.893 1.00 0.00 N ATOM 554 CA ILE A 38 -2.698 -15.274 -11.307 1.00 0.00 C ATOM 555 C ILE A 38 -1.481 -15.570 -12.186 1.00 0.00 C ATOM 556 O ILE A 38 -1.598 -16.136 -13.273 1.00 0.00 O ATOM 557 CB ILE A 38 -3.272 -13.881 -11.647 1.00 0.00 C ATOM 558 CG1 ILE A 38 -2.170 -12.809 -11.609 1.00 0.00 C ATOM 559 CG2 ILE A 38 -4.352 -13.509 -10.629 1.00 0.00 C ATOM 560 CD1 ILE A 38 -1.532 -12.679 -12.998 1.00 0.00 C ATOM 0 H ILE A 38 -2.049 -14.473 -9.472 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.468 -16.020 -11.504 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.694 -13.923 -12.651 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.590 -11.852 -11.299 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.412 -13.078 -10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.756 -12.526 -10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.152 -14.248 -10.661 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.918 -13.488 -9.629 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.751 -11.919 -12.970 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.098 -13.635 -13.290 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.293 -12.390 -13.723 1.00 0.00 H new ATOM 572 N GLY A 39 -0.312 -15.166 -11.697 1.00 0.00 N ATOM 573 CA GLY A 39 0.932 -15.374 -12.433 1.00 0.00 C ATOM 574 C GLY A 39 1.860 -14.175 -12.263 1.00 0.00 C ATOM 575 O GLY A 39 2.429 -13.668 -13.230 1.00 0.00 O ATOM 0 H GLY A 39 -0.200 -14.695 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.426 -16.277 -12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.715 -15.526 -13.490 1.00 0.00 H new ATOM 579 N TYR A 40 2.005 -13.729 -11.017 1.00 0.00 N ATOM 580 CA TYR A 40 2.864 -12.587 -10.715 1.00 0.00 C ATOM 581 C TYR A 40 3.832 -12.944 -9.592 1.00 0.00 C ATOM 582 O TYR A 40 3.427 -13.153 -8.449 1.00 0.00 O ATOM 583 CB TYR A 40 2.026 -11.383 -10.275 1.00 0.00 C ATOM 584 CG TYR A 40 1.450 -10.684 -11.483 1.00 0.00 C ATOM 585 CD1 TYR A 40 2.302 -10.169 -12.468 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.061 -10.544 -11.615 1.00 0.00 C ATOM 587 CE1 TYR A 40 1.767 -9.517 -13.585 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.472 -9.890 -12.732 1.00 0.00 C ATOM 589 CZ TYR A 40 0.380 -9.377 -13.717 1.00 0.00 C ATOM 590 OH TYR A 40 -0.147 -8.734 -14.818 1.00 0.00 O ATOM 0 H TYR A 40 1.542 -14.138 -10.205 1.00 0.00 H new ATOM 0 HA TYR A 40 3.418 -12.333 -11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.222 -11.711 -9.617 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.643 -10.690 -9.704 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.372 -10.275 -12.366 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.597 -10.940 -10.856 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.424 -9.122 -14.345 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.542 -9.781 -12.834 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.125 -8.725 -14.754 1.00 0.00 H new ATOM 600 N ASP A 41 5.118 -13.010 -9.920 1.00 0.00 N ATOM 601 CA ASP A 41 6.127 -13.342 -8.911 1.00 0.00 C ATOM 602 C ASP A 41 6.914 -12.095 -8.515 1.00 0.00 C ATOM 603 O ASP A 41 6.885 -11.671 -7.360 1.00 0.00 O ATOM 604 CB ASP A 41 7.103 -14.431 -9.403 1.00 0.00 C ATOM 605 CG ASP A 41 7.405 -14.272 -10.894 1.00 0.00 C ATOM 606 OD1 ASP A 41 6.538 -14.595 -11.691 1.00 0.00 O ATOM 607 OD2 ASP A 41 8.495 -13.831 -11.214 1.00 0.00 O ATOM 0 H ASP A 41 5.485 -12.842 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 41 5.595 -13.733 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.031 -14.375 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.675 -15.416 -9.219 1.00 0.00 H new ATOM 612 N SER A 42 7.606 -11.506 -9.486 1.00 0.00 N ATOM 613 CA SER A 42 8.390 -10.301 -9.231 1.00 0.00 C ATOM 614 C SER A 42 8.779 -9.644 -10.549 1.00 0.00 C ATOM 615 O SER A 42 8.350 -8.534 -10.856 1.00 0.00 O ATOM 616 CB SER A 42 9.663 -10.633 -8.449 1.00 0.00 C ATOM 617 OG SER A 42 9.352 -11.532 -7.393 1.00 0.00 O ATOM 0 H SER A 42 7.640 -11.840 -10.449 1.00 0.00 H new ATOM 0 HA SER A 42 7.777 -9.620 -8.641 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.404 -11.078 -9.113 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.103 -9.721 -8.046 1.00 0.00 H new ATOM 0 HG SER A 42 8.516 -11.255 -6.963 1.00 0.00 H new ATOM 623 N LEU A 43 9.595 -10.349 -11.327 1.00 0.00 N ATOM 624 CA LEU A 43 10.038 -9.832 -12.619 1.00 0.00 C ATOM 625 C LEU A 43 8.843 -9.659 -13.552 1.00 0.00 C ATOM 626 O LEU A 43 8.814 -8.754 -14.386 1.00 0.00 O ATOM 627 CB LEU A 43 11.051 -10.795 -13.262 1.00 0.00 C ATOM 628 CG LEU A 43 12.484 -10.264 -13.094 1.00 0.00 C ATOM 629 CD1 LEU A 43 12.618 -8.899 -13.777 1.00 0.00 C ATOM 630 CD2 LEU A 43 12.823 -10.132 -11.602 1.00 0.00 C ATOM 0 H LEU A 43 9.960 -11.271 -11.089 1.00 0.00 H new ATOM 0 HA LEU A 43 10.515 -8.865 -12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.966 -11.780 -12.803 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.824 -10.916 -14.321 1.00 0.00 H new ATOM 0 HG LEU A 43 13.178 -10.966 -13.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.636 -8.529 -13.654 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.395 -9.000 -14.839 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.919 -8.196 -13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.840 -9.755 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.126 -9.439 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.744 -11.108 -11.123 1.00 0.00 H new ATOM 642 N ALA A 44 7.858 -10.539 -13.399 1.00 0.00 N ATOM 643 CA ALA A 44 6.662 -10.482 -14.232 1.00 0.00 C ATOM 644 C ALA A 44 5.830 -9.251 -13.887 1.00 0.00 C ATOM 645 O ALA A 44 5.307 -8.572 -14.771 1.00 0.00 O ATOM 646 CB ALA A 44 5.806 -11.733 -14.028 1.00 0.00 C ATOM 0 H ALA A 44 7.864 -11.293 -12.713 1.00 0.00 H new ATOM 0 HA ALA A 44 6.981 -10.426 -15.273 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.918 -11.673 -14.657 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.383 -12.617 -14.299 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.506 -11.802 -12.982 1.00 0.00 H new ATOM 652 N LEU A 45 5.710 -8.971 -12.591 1.00 0.00 N ATOM 653 CA LEU A 45 4.931 -7.818 -12.146 1.00 0.00 C ATOM 654 C LEU A 45 5.800 -6.550 -12.038 1.00 0.00 C ATOM 655 O LEU A 45 5.305 -5.483 -11.678 1.00 0.00 O ATOM 656 CB LEU A 45 4.240 -8.127 -10.800 1.00 0.00 C ATOM 657 CG LEU A 45 5.214 -7.990 -9.612 1.00 0.00 C ATOM 658 CD1 LEU A 45 4.900 -6.707 -8.847 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.051 -9.178 -8.663 1.00 0.00 C ATOM 0 H LEU A 45 6.135 -9.517 -11.841 1.00 0.00 H new ATOM 0 HA LEU A 45 4.165 -7.622 -12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.398 -7.449 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.835 -9.139 -10.823 1.00 0.00 H new ATOM 0 HG LEU A 45 6.235 -7.963 -9.992 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.587 -6.607 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.013 -5.850 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.876 -6.746 -8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.742 -9.073 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.028 -9.206 -8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.266 -10.103 -9.198 1.00 0.00 H new ATOM 671 N MET A 46 7.093 -6.671 -12.352 1.00 0.00 N ATOM 672 CA MET A 46 7.994 -5.521 -12.280 1.00 0.00 C ATOM 673 C MET A 46 7.931 -4.717 -13.574 1.00 0.00 C ATOM 674 O MET A 46 8.088 -3.496 -13.570 1.00 0.00 O ATOM 675 CB MET A 46 9.436 -5.982 -12.045 1.00 0.00 C ATOM 676 CG MET A 46 10.333 -4.765 -11.798 1.00 0.00 C ATOM 677 SD MET A 46 12.069 -5.260 -11.936 1.00 0.00 S ATOM 678 CE MET A 46 12.786 -3.600 -11.839 1.00 0.00 C ATOM 0 H MET A 46 7.533 -7.540 -12.654 1.00 0.00 H new ATOM 0 HA MET A 46 7.676 -4.894 -11.447 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.478 -6.656 -11.190 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.795 -6.541 -12.909 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.108 -3.981 -12.521 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.139 -4.351 -10.808 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.872 -3.668 -11.905 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.410 -2.992 -12.662 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.509 -3.139 -10.891 1.00 0.00 H new ATOM 688 N GLU A 47 7.701 -5.415 -14.681 1.00 0.00 N ATOM 689 CA GLU A 47 7.618 -4.754 -15.980 1.00 0.00 C ATOM 690 C GLU A 47 6.298 -4.000 -16.105 1.00 0.00 C ATOM 691 O GLU A 47 6.266 -2.826 -16.477 1.00 0.00 O ATOM 692 CB GLU A 47 7.715 -5.780 -17.110 1.00 0.00 C ATOM 693 CG GLU A 47 8.085 -5.071 -18.415 1.00 0.00 C ATOM 694 CD GLU A 47 8.650 -6.084 -19.403 1.00 0.00 C ATOM 695 OE1 GLU A 47 7.864 -6.714 -20.090 1.00 0.00 O ATOM 696 OE2 GLU A 47 9.861 -6.216 -19.457 1.00 0.00 O ATOM 0 H GLU A 47 7.570 -6.426 -14.707 1.00 0.00 H new ATOM 0 HA GLU A 47 8.449 -4.052 -16.057 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.465 -6.533 -16.868 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.765 -6.302 -17.224 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.206 -4.585 -18.839 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.819 -4.289 -18.221 1.00 0.00 H new ATOM 703 N THR A 48 5.208 -4.692 -15.786 1.00 0.00 N ATOM 704 CA THR A 48 3.882 -4.086 -15.859 1.00 0.00 C ATOM 705 C THR A 48 3.746 -2.974 -14.824 1.00 0.00 C ATOM 706 O THR A 48 3.282 -1.876 -15.129 1.00 0.00 O ATOM 707 CB THR A 48 2.798 -5.135 -15.607 1.00 0.00 C ATOM 708 OG1 THR A 48 3.042 -6.271 -16.423 1.00 0.00 O ATOM 709 CG2 THR A 48 1.428 -4.546 -15.943 1.00 0.00 C ATOM 0 H THR A 48 5.215 -5.664 -15.477 1.00 0.00 H new ATOM 0 HA THR A 48 3.758 -3.670 -16.859 1.00 0.00 H new ATOM 0 HB THR A 48 2.815 -5.431 -14.558 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.349 -6.945 -16.261 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.656 -5.294 -15.763 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.242 -3.675 -15.315 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.407 -4.248 -16.991 1.00 0.00 H new ATOM 717 N ALA A 49 4.158 -3.273 -13.595 1.00 0.00 N ATOM 718 CA ALA A 49 4.080 -2.291 -12.516 1.00 0.00 C ATOM 719 C ALA A 49 5.028 -1.123 -12.777 1.00 0.00 C ATOM 720 O ALA A 49 4.802 -0.009 -12.304 1.00 0.00 O ATOM 721 CB ALA A 49 4.442 -2.934 -11.177 1.00 0.00 C ATOM 0 H ALA A 49 4.545 -4.176 -13.323 1.00 0.00 H new ATOM 0 HA ALA A 49 3.055 -1.922 -12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.378 -2.187 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.748 -3.748 -10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.458 -3.326 -11.225 1.00 0.00 H new ATOM 727 N ALA A 50 6.095 -1.386 -13.530 1.00 0.00 N ATOM 728 CA ALA A 50 7.069 -0.344 -13.843 1.00 0.00 C ATOM 729 C ALA A 50 6.438 0.725 -14.729 1.00 0.00 C ATOM 730 O ALA A 50 6.527 1.920 -14.443 1.00 0.00 O ATOM 731 CB ALA A 50 8.279 -0.939 -14.564 1.00 0.00 C ATOM 0 H ALA A 50 6.305 -2.300 -13.930 1.00 0.00 H new ATOM 0 HA ALA A 50 7.393 0.106 -12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.994 -0.148 -14.789 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.752 -1.685 -13.926 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.954 -1.409 -15.492 1.00 0.00 H new ATOM 737 N ARG A 51 5.797 0.281 -15.806 1.00 0.00 N ATOM 738 CA ARG A 51 5.149 1.208 -16.730 1.00 0.00 C ATOM 739 C ARG A 51 4.032 1.966 -16.019 1.00 0.00 C ATOM 740 O ARG A 51 3.795 3.146 -16.280 1.00 0.00 O ATOM 741 CB ARG A 51 4.558 0.453 -17.922 1.00 0.00 C ATOM 742 CG ARG A 51 5.687 -0.010 -18.846 1.00 0.00 C ATOM 743 CD ARG A 51 5.092 -0.554 -20.146 1.00 0.00 C ATOM 744 NE ARG A 51 4.564 0.533 -20.965 1.00 0.00 N ATOM 745 CZ ARG A 51 5.378 1.339 -21.641 1.00 0.00 C ATOM 746 NH1 ARG A 51 5.732 1.036 -22.860 1.00 0.00 N ATOM 747 NH2 ARG A 51 5.822 2.434 -21.086 1.00 0.00 N ATOM 0 H ARG A 51 5.712 -0.703 -16.059 1.00 0.00 H new ATOM 0 HA ARG A 51 5.901 1.912 -17.086 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.984 -0.406 -17.573 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.868 1.097 -18.468 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.359 0.821 -19.061 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.280 -0.781 -18.355 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.856 -1.097 -20.702 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.297 -1.264 -19.919 1.00 0.00 H new ATOM 0 HE ARG A 51 3.556 0.677 -21.020 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.384 0.181 -23.294 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.356 1.654 -23.378 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.545 2.672 -20.134 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.446 3.052 -21.605 1.00 0.00 H new ATOM 761 N LEU A 52 3.349 1.269 -15.116 1.00 0.00 N ATOM 762 CA LEU A 52 2.254 1.875 -14.363 1.00 0.00 C ATOM 763 C LEU A 52 2.784 2.855 -13.316 1.00 0.00 C ATOM 764 O LEU A 52 2.061 3.741 -12.861 1.00 0.00 O ATOM 765 CB LEU A 52 1.432 0.794 -13.658 1.00 0.00 C ATOM 766 CG LEU A 52 0.051 1.350 -13.307 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.990 0.232 -13.407 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.070 1.902 -11.879 1.00 0.00 C ATOM 0 H LEU A 52 3.532 0.292 -14.888 1.00 0.00 H new ATOM 0 HA LEU A 52 1.625 2.415 -15.071 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.331 -0.079 -14.303 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.944 0.465 -12.754 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.205 2.149 -14.002 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.974 0.628 -13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.005 -0.162 -14.423 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.733 -0.567 -12.712 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.914 2.298 -11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.327 1.103 -11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.811 2.698 -11.807 1.00 0.00 H new ATOM 780 N GLU A 53 4.050 2.689 -12.932 1.00 0.00 N ATOM 781 CA GLU A 53 4.651 3.570 -11.936 1.00 0.00 C ATOM 782 C GLU A 53 4.717 5.001 -12.460 1.00 0.00 C ATOM 783 O GLU A 53 4.600 5.961 -11.700 1.00 0.00 O ATOM 784 CB GLU A 53 6.065 3.101 -11.588 1.00 0.00 C ATOM 785 CG GLU A 53 6.461 3.648 -10.215 1.00 0.00 C ATOM 786 CD GLU A 53 7.533 2.755 -9.600 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.583 2.621 -10.206 1.00 0.00 O ATOM 788 OE2 GLU A 53 7.288 2.217 -8.533 1.00 0.00 O ATOM 0 H GLU A 53 4.670 1.963 -13.291 1.00 0.00 H new ATOM 0 HA GLU A 53 4.029 3.539 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.107 2.012 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.770 3.444 -12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.834 4.668 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.589 3.689 -9.563 1.00 0.00 H new ATOM 795 N SER A 54 4.904 5.132 -13.771 1.00 0.00 N ATOM 796 CA SER A 54 4.986 6.453 -14.395 1.00 0.00 C ATOM 797 C SER A 54 3.701 7.247 -14.155 1.00 0.00 C ATOM 798 O SER A 54 3.714 8.477 -14.122 1.00 0.00 O ATOM 799 CB SER A 54 5.210 6.318 -15.900 1.00 0.00 C ATOM 800 OG SER A 54 5.731 7.540 -16.408 1.00 0.00 O ATOM 0 H SER A 54 5.001 4.349 -14.418 1.00 0.00 H new ATOM 0 HA SER A 54 5.826 6.982 -13.945 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.902 5.501 -16.105 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.272 6.074 -16.399 1.00 0.00 H new ATOM 0 HG SER A 54 5.878 7.457 -17.373 1.00 0.00 H new ATOM 806 N ARG A 55 2.590 6.529 -13.990 1.00 0.00 N ATOM 807 CA ARG A 55 1.296 7.172 -13.756 1.00 0.00 C ATOM 808 C ARG A 55 1.352 8.083 -12.531 1.00 0.00 C ATOM 809 O ARG A 55 0.790 9.177 -12.528 1.00 0.00 O ATOM 810 CB ARG A 55 0.210 6.116 -13.539 1.00 0.00 C ATOM 811 CG ARG A 55 -1.169 6.783 -13.559 1.00 0.00 C ATOM 812 CD ARG A 55 -1.794 6.641 -14.950 1.00 0.00 C ATOM 813 NE ARG A 55 -3.217 6.329 -14.843 1.00 0.00 N ATOM 814 CZ ARG A 55 -4.106 7.276 -14.557 1.00 0.00 C ATOM 815 NH1 ARG A 55 -4.318 7.618 -13.316 1.00 0.00 N ATOM 816 NH2 ARG A 55 -4.766 7.863 -15.518 1.00 0.00 N ATOM 0 H ARG A 55 2.559 5.510 -14.014 1.00 0.00 H new ATOM 0 HA ARG A 55 1.059 7.770 -14.636 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.268 5.355 -14.317 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.366 5.610 -12.586 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.816 6.324 -12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.077 7.837 -13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.660 7.566 -15.511 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.284 5.854 -15.506 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.534 5.371 -14.990 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.802 7.159 -12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.000 8.344 -13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.600 7.595 -16.488 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.448 8.589 -15.299 1.00 0.00 H new ATOM 830 N TYR A 56 2.041 7.619 -11.491 1.00 0.00 N ATOM 831 CA TYR A 56 2.167 8.404 -10.266 1.00 0.00 C ATOM 832 C TYR A 56 3.367 9.343 -10.364 1.00 0.00 C ATOM 833 O TYR A 56 3.218 10.564 -10.386 1.00 0.00 O ATOM 834 CB TYR A 56 2.344 7.484 -9.054 1.00 0.00 C ATOM 835 CG TYR A 56 1.049 6.754 -8.780 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.551 5.834 -9.712 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.346 6.994 -7.593 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.647 5.158 -9.458 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.854 6.317 -7.340 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.350 5.399 -8.272 1.00 0.00 C ATOM 841 OH TYR A 56 -2.531 4.733 -8.022 1.00 0.00 O ATOM 0 H TYR A 56 2.515 6.716 -11.471 1.00 0.00 H new ATOM 0 HA TYR A 56 1.256 8.989 -10.141 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.144 6.768 -9.242 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.636 8.068 -8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.093 5.647 -10.627 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.729 7.701 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.030 4.450 -10.178 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.397 6.504 -6.425 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.509 3.854 -8.455 1.00 0.00 H new ATOM 851 N GLY A 57 4.559 8.755 -10.430 1.00 0.00 N ATOM 852 CA GLY A 57 5.784 9.544 -10.535 1.00 0.00 C ATOM 853 C GLY A 57 6.195 10.097 -9.174 1.00 0.00 C ATOM 854 O GLY A 57 6.775 11.178 -9.077 1.00 0.00 O ATOM 0 H GLY A 57 4.703 7.745 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.586 8.925 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.633 10.366 -11.235 1.00 0.00 H new ATOM 858 N VAL A 58 5.885 9.343 -8.124 1.00 0.00 N ATOM 859 CA VAL A 58 6.221 9.763 -6.773 1.00 0.00 C ATOM 860 C VAL A 58 7.660 9.368 -6.428 1.00 0.00 C ATOM 861 O VAL A 58 8.409 10.147 -5.838 1.00 0.00 O ATOM 862 CB VAL A 58 5.245 9.130 -5.770 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.405 7.603 -5.748 1.00 0.00 C ATOM 864 CG2 VAL A 58 5.518 9.688 -4.377 1.00 0.00 C ATOM 0 H VAL A 58 5.405 8.445 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 58 6.138 10.848 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 58 4.226 9.370 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.705 7.174 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.200 7.201 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.424 7.348 -5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.826 9.240 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.542 9.454 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.381 10.769 -4.385 1.00 0.00 H new ATOM 874 N SER A 59 8.030 8.147 -6.799 1.00 0.00 N ATOM 875 CA SER A 59 9.375 7.651 -6.522 1.00 0.00 C ATOM 876 C SER A 59 9.795 6.624 -7.568 1.00 0.00 C ATOM 877 O SER A 59 9.056 6.338 -8.511 1.00 0.00 O ATOM 878 CB SER A 59 9.428 7.002 -5.138 1.00 0.00 C ATOM 879 OG SER A 59 8.291 6.167 -4.969 1.00 0.00 O ATOM 0 H SER A 59 7.425 7.487 -7.288 1.00 0.00 H new ATOM 0 HA SER A 59 10.059 8.499 -6.555 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.342 6.418 -5.032 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.449 7.769 -4.364 1.00 0.00 H new ATOM 0 HG SER A 59 7.760 6.487 -4.210 1.00 0.00 H new ATOM 885 N ILE A 60 10.993 6.072 -7.392 1.00 0.00 N ATOM 886 CA ILE A 60 11.508 5.076 -8.328 1.00 0.00 C ATOM 887 C ILE A 60 12.183 3.923 -7.569 1.00 0.00 C ATOM 888 O ILE A 60 13.407 3.891 -7.443 1.00 0.00 O ATOM 889 CB ILE A 60 12.522 5.714 -9.282 1.00 0.00 C ATOM 890 CG1 ILE A 60 11.898 6.949 -9.940 1.00 0.00 C ATOM 891 CG2 ILE A 60 12.914 4.707 -10.365 1.00 0.00 C ATOM 892 CD1 ILE A 60 12.957 7.681 -10.765 1.00 0.00 C ATOM 0 H ILE A 60 11.620 6.294 -6.619 1.00 0.00 H new ATOM 0 HA ILE A 60 10.668 4.685 -8.902 1.00 0.00 H new ATOM 0 HB ILE A 60 13.409 6.007 -8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.066 6.652 -10.579 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.493 7.614 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 60 13.636 5.164 -11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.359 3.827 -9.900 1.00 0.00 H new ATOM 0 HG23 ILE A 60 12.027 4.412 -10.925 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.511 8.559 -11.232 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.774 7.992 -10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 60 13.341 7.015 -11.537 1.00 0.00 H new ATOM 904 N PRO A 61 11.396 2.960 -7.057 1.00 0.00 N ATOM 905 CA PRO A 61 11.952 1.812 -6.314 1.00 0.00 C ATOM 906 C PRO A 61 12.454 0.705 -7.238 1.00 0.00 C ATOM 907 O PRO A 61 11.717 0.197 -8.083 1.00 0.00 O ATOM 908 CB PRO A 61 10.751 1.338 -5.505 1.00 0.00 C ATOM 909 CG PRO A 61 9.500 1.810 -6.239 1.00 0.00 C ATOM 910 CD PRO A 61 9.919 2.947 -7.177 1.00 0.00 C ATOM 0 HA PRO A 61 12.821 2.081 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.755 0.252 -5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.782 1.746 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.055 0.991 -6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.747 2.155 -5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.600 2.761 -8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.482 3.899 -6.875 1.00 0.00 H new ATOM 918 N ASP A 62 13.723 0.342 -7.070 1.00 0.00 N ATOM 919 CA ASP A 62 14.322 -0.702 -7.898 1.00 0.00 C ATOM 920 C ASP A 62 14.389 -2.031 -7.147 1.00 0.00 C ATOM 921 O ASP A 62 14.082 -3.087 -7.698 1.00 0.00 O ATOM 922 CB ASP A 62 15.736 -0.301 -8.320 1.00 0.00 C ATOM 923 CG ASP A 62 15.660 0.795 -9.378 1.00 0.00 C ATOM 924 OD1 ASP A 62 14.840 0.671 -10.272 1.00 0.00 O ATOM 925 OD2 ASP A 62 16.424 1.741 -9.278 1.00 0.00 O ATOM 0 H ASP A 62 14.350 0.749 -6.377 1.00 0.00 H new ATOM 0 HA ASP A 62 13.693 -0.823 -8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.299 0.052 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.268 -1.166 -8.715 1.00 0.00 H new ATOM 930 N ASP A 63 14.817 -1.970 -5.889 1.00 0.00 N ATOM 931 CA ASP A 63 14.949 -3.181 -5.077 1.00 0.00 C ATOM 932 C ASP A 63 13.623 -3.571 -4.425 1.00 0.00 C ATOM 933 O ASP A 63 13.142 -4.692 -4.593 1.00 0.00 O ATOM 934 CB ASP A 63 15.996 -2.973 -3.982 1.00 0.00 C ATOM 935 CG ASP A 63 16.434 -4.325 -3.430 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.569 -5.139 -3.156 1.00 0.00 O ATOM 937 OD2 ASP A 63 17.630 -4.526 -3.288 1.00 0.00 O ATOM 0 H ASP A 63 15.076 -1.107 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 63 15.259 -3.985 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.856 -2.437 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.583 -2.359 -3.182 1.00 0.00 H new ATOM 942 N VAL A 64 13.047 -2.645 -3.664 1.00 0.00 N ATOM 943 CA VAL A 64 11.784 -2.915 -2.972 1.00 0.00 C ATOM 944 C VAL A 64 10.680 -3.297 -3.963 1.00 0.00 C ATOM 945 O VAL A 64 9.923 -4.241 -3.734 1.00 0.00 O ATOM 946 CB VAL A 64 11.352 -1.685 -2.154 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.081 -0.497 -3.082 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.081 -2.009 -1.359 1.00 0.00 C ATOM 0 H VAL A 64 13.426 -1.711 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 64 11.944 -3.757 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 64 12.157 -1.424 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.776 0.366 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.987 -0.254 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.286 -0.756 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.780 -1.135 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.281 -2.283 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.277 -2.840 -0.682 1.00 0.00 H new ATOM 958 N ALA A 65 10.593 -2.550 -5.058 1.00 0.00 N ATOM 959 CA ALA A 65 9.571 -2.816 -6.067 1.00 0.00 C ATOM 960 C ALA A 65 10.005 -3.950 -6.993 1.00 0.00 C ATOM 961 O ALA A 65 9.194 -4.782 -7.400 1.00 0.00 O ATOM 962 CB ALA A 65 9.305 -1.561 -6.902 1.00 0.00 C ATOM 0 H ALA A 65 11.209 -1.765 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 65 8.658 -3.108 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.541 -1.776 -7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.960 -0.757 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.224 -1.254 -7.401 1.00 0.00 H new ATOM 968 N GLY A 66 11.294 -3.974 -7.324 1.00 0.00 N ATOM 969 CA GLY A 66 11.826 -5.011 -8.207 1.00 0.00 C ATOM 970 C GLY A 66 11.575 -6.406 -7.638 1.00 0.00 C ATOM 971 O GLY A 66 11.496 -7.387 -8.380 1.00 0.00 O ATOM 0 H GLY A 66 11.983 -3.296 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.362 -4.928 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.896 -4.860 -8.346 1.00 0.00 H new ATOM 975 N ARG A 67 11.450 -6.489 -6.316 1.00 0.00 N ATOM 976 CA ARG A 67 11.209 -7.773 -5.668 1.00 0.00 C ATOM 977 C ARG A 67 10.149 -7.628 -4.576 1.00 0.00 C ATOM 978 O ARG A 67 10.446 -7.689 -3.383 1.00 0.00 O ATOM 979 CB ARG A 67 12.503 -8.309 -5.048 1.00 0.00 C ATOM 980 CG ARG A 67 12.498 -9.838 -5.094 1.00 0.00 C ATOM 981 CD ARG A 67 13.934 -10.357 -4.998 1.00 0.00 C ATOM 982 NE ARG A 67 14.458 -10.176 -3.647 1.00 0.00 N ATOM 983 CZ ARG A 67 14.340 -11.135 -2.732 1.00 0.00 C ATOM 984 NH1 ARG A 67 15.128 -12.174 -2.770 1.00 0.00 N ATOM 985 NH2 ARG A 67 13.436 -11.034 -1.795 1.00 0.00 N ATOM 0 H ARG A 67 11.511 -5.693 -5.681 1.00 0.00 H new ATOM 0 HA ARG A 67 10.854 -8.474 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.366 -7.921 -5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.594 -7.966 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.901 -10.235 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.037 -10.183 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.963 -11.413 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.566 -9.829 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 67 14.921 -9.301 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.835 -12.251 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.037 -12.909 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.821 -10.221 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.345 -11.768 -1.093 1.00 0.00 H new ATOM 999 N VAL A 68 8.903 -7.436 -5.000 1.00 0.00 N ATOM 1000 CA VAL A 68 7.808 -7.287 -4.047 1.00 0.00 C ATOM 1001 C VAL A 68 7.045 -8.607 -3.909 1.00 0.00 C ATOM 1002 O VAL A 68 6.348 -9.042 -4.826 1.00 0.00 O ATOM 1003 CB VAL A 68 6.857 -6.159 -4.486 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.184 -6.510 -5.819 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.788 -5.943 -3.408 1.00 0.00 C ATOM 0 H VAL A 68 8.629 -7.381 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 68 8.227 -7.022 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 68 7.434 -5.244 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.515 -5.701 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.946 -6.648 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.612 -7.431 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.114 -5.144 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.220 -6.863 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.268 -5.668 -2.469 1.00 0.00 H new ATOM 1015 N ASP A 69 7.195 -9.242 -2.750 1.00 0.00 N ATOM 1016 CA ASP A 69 6.527 -10.516 -2.498 1.00 0.00 C ATOM 1017 C ASP A 69 5.072 -10.291 -2.097 1.00 0.00 C ATOM 1018 O ASP A 69 4.172 -10.987 -2.568 1.00 0.00 O ATOM 1019 CB ASP A 69 7.239 -11.280 -1.380 1.00 0.00 C ATOM 1020 CG ASP A 69 8.468 -11.982 -1.947 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.294 -12.976 -2.633 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.565 -11.514 -1.687 1.00 0.00 O ATOM 0 H ASP A 69 7.767 -8.900 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 69 6.561 -11.099 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.533 -10.594 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.562 -12.010 -0.936 1.00 0.00 H new ATOM 1027 N THR A 70 4.851 -9.314 -1.223 1.00 0.00 N ATOM 1028 CA THR A 70 3.498 -9.013 -0.764 1.00 0.00 C ATOM 1029 C THR A 70 2.954 -7.767 -1.474 1.00 0.00 C ATOM 1030 O THR A 70 3.714 -6.861 -1.812 1.00 0.00 O ATOM 1031 CB THR A 70 3.486 -8.769 0.746 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.286 -7.633 1.046 1.00 0.00 O ATOM 1033 CG2 THR A 70 4.048 -9.994 1.466 1.00 0.00 C ATOM 0 H THR A 70 5.580 -8.724 -0.822 1.00 0.00 H new ATOM 0 HA THR A 70 2.867 -9.870 -0.999 1.00 0.00 H new ATOM 0 HB THR A 70 2.463 -8.592 1.078 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.278 -7.474 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.039 -9.820 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.435 -10.865 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.071 -10.172 1.136 1.00 0.00 H new ATOM 1041 N PRO A 71 1.629 -7.696 -1.703 1.00 0.00 N ATOM 1042 CA PRO A 71 1.019 -6.533 -2.374 1.00 0.00 C ATOM 1043 C PRO A 71 0.820 -5.357 -1.424 1.00 0.00 C ATOM 1044 O PRO A 71 0.867 -4.195 -1.829 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.323 -7.087 -2.835 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.650 -8.264 -1.925 1.00 0.00 C ATOM 1047 CD PRO A 71 0.664 -8.751 -1.314 1.00 0.00 C ATOM 0 HA PRO A 71 1.639 -6.138 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.098 -6.323 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.272 -7.406 -3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.348 -7.962 -1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.130 -9.063 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.592 -8.851 -0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.953 -9.726 -1.706 1.00 0.00 H new ATOM 1055 N ARG A 72 0.603 -5.678 -0.149 1.00 0.00 N ATOM 1056 CA ARG A 72 0.404 -4.648 0.870 1.00 0.00 C ATOM 1057 C ARG A 72 1.593 -3.686 0.914 1.00 0.00 C ATOM 1058 O ARG A 72 1.456 -2.532 1.315 1.00 0.00 O ATOM 1059 CB ARG A 72 0.231 -5.290 2.248 1.00 0.00 C ATOM 1060 CG ARG A 72 -0.186 -4.223 3.265 1.00 0.00 C ATOM 1061 CD ARG A 72 -0.737 -4.898 4.523 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.197 -4.926 4.497 1.00 0.00 N ATOM 1063 CZ ARG A 72 -2.909 -3.861 4.850 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -2.912 -3.461 6.093 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -3.606 -3.214 3.955 1.00 0.00 N ATOM 0 H ARG A 72 0.561 -6.635 0.201 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.496 -4.091 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.522 -6.076 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.163 -5.760 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.669 -3.597 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.942 -3.568 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.350 -5.914 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.394 -4.363 5.409 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.678 -5.776 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.368 -3.966 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.458 -2.644 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.604 -3.526 2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.152 -2.397 4.227 1.00 0.00 H new ATOM 1079 N GLU A 73 2.759 -4.174 0.494 1.00 0.00 N ATOM 1080 CA GLU A 73 3.960 -3.346 0.488 1.00 0.00 C ATOM 1081 C GLU A 73 3.913 -2.350 -0.668 1.00 0.00 C ATOM 1082 O GLU A 73 4.323 -1.198 -0.531 1.00 0.00 O ATOM 1083 CB GLU A 73 5.211 -4.214 0.346 1.00 0.00 C ATOM 1084 CG GLU A 73 6.456 -3.360 0.587 1.00 0.00 C ATOM 1085 CD GLU A 73 6.814 -3.388 2.068 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.014 -2.918 2.860 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.884 -3.879 2.391 1.00 0.00 O ATOM 0 H GLU A 73 2.896 -5.127 0.158 1.00 0.00 H new ATOM 0 HA GLU A 73 4.000 -2.806 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.178 -5.037 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.248 -4.657 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.289 -3.737 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.274 -2.335 0.265 1.00 0.00 H new ATOM 1094 N LEU A 74 3.404 -2.811 -1.810 1.00 0.00 N ATOM 1095 CA LEU A 74 3.302 -1.954 -2.990 1.00 0.00 C ATOM 1096 C LEU A 74 2.393 -0.760 -2.694 1.00 0.00 C ATOM 1097 O LEU A 74 2.709 0.382 -3.034 1.00 0.00 O ATOM 1098 CB LEU A 74 2.747 -2.752 -4.182 1.00 0.00 C ATOM 1099 CG LEU A 74 3.701 -2.641 -5.377 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.840 -3.647 -5.215 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.937 -2.944 -6.668 1.00 0.00 C ATOM 0 H LEU A 74 3.060 -3.762 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 74 4.297 -1.589 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.621 -3.798 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.762 -2.374 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 74 4.110 -1.632 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.518 -3.568 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.385 -3.435 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.430 -4.656 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.614 -2.865 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.529 -3.954 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.123 -2.229 -6.785 1.00 0.00 H new ATOM 1113 N LEU A 75 1.266 -1.038 -2.039 1.00 0.00 N ATOM 1114 CA LEU A 75 0.317 0.016 -1.682 1.00 0.00 C ATOM 1115 C LEU A 75 0.986 1.006 -0.730 1.00 0.00 C ATOM 1116 O LEU A 75 0.924 2.212 -0.931 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.929 -0.596 -1.015 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.918 0.496 -0.566 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.911 0.800 -1.688 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.686 -0.001 0.658 1.00 0.00 C ATOM 0 H LEU A 75 0.989 -1.975 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 75 0.008 0.540 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.423 -1.272 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.627 -1.192 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.364 1.403 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.605 1.573 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.370 1.148 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.466 -0.104 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.389 0.766 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.233 -0.908 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.985 -0.216 1.465 1.00 0.00 H new ATOM 1132 N ASP A 76 1.619 0.480 0.309 1.00 0.00 N ATOM 1133 CA ASP A 76 2.294 1.335 1.284 1.00 0.00 C ATOM 1134 C ASP A 76 3.553 1.982 0.692 1.00 0.00 C ATOM 1135 O ASP A 76 4.151 2.863 1.308 1.00 0.00 O ATOM 1136 CB ASP A 76 2.693 0.525 2.520 1.00 0.00 C ATOM 1137 CG ASP A 76 2.769 1.449 3.730 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.812 2.170 3.962 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.783 1.422 4.407 1.00 0.00 O ATOM 0 H ASP A 76 1.681 -0.520 0.500 1.00 0.00 H new ATOM 0 HA ASP A 76 1.591 2.120 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.966 -0.267 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.657 0.042 2.356 1.00 0.00 H new ATOM 1144 N LEU A 77 3.959 1.539 -0.502 1.00 0.00 N ATOM 1145 CA LEU A 77 5.152 2.093 -1.137 1.00 0.00 C ATOM 1146 C LEU A 77 4.839 3.415 -1.834 1.00 0.00 C ATOM 1147 O LEU A 77 5.400 4.457 -1.494 1.00 0.00 O ATOM 1148 CB LEU A 77 5.715 1.110 -2.166 1.00 0.00 C ATOM 1149 CG LEU A 77 7.164 1.479 -2.486 1.00 0.00 C ATOM 1150 CD1 LEU A 77 8.076 0.990 -1.359 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.579 0.816 -3.801 1.00 0.00 C ATOM 0 H LEU A 77 3.487 0.811 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 77 5.890 2.269 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.665 0.093 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.113 1.134 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 77 7.251 2.561 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.109 1.253 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.780 1.461 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.989 -0.092 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.612 1.078 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.492 -0.266 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.929 1.163 -4.604 1.00 0.00 H new ATOM 1163 N ILE A 78 3.941 3.364 -2.815 1.00 0.00 N ATOM 1164 CA ILE A 78 3.571 4.571 -3.553 1.00 0.00 C ATOM 1165 C ILE A 78 2.744 5.498 -2.667 1.00 0.00 C ATOM 1166 O ILE A 78 2.940 6.714 -2.652 1.00 0.00 O ATOM 1167 CB ILE A 78 2.756 4.209 -4.799 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.531 3.188 -5.635 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.510 5.466 -5.637 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.574 2.482 -6.596 1.00 0.00 C ATOM 0 H ILE A 78 3.462 2.515 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 78 4.487 5.078 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 78 1.800 3.784 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.323 3.686 -6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.012 2.459 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.930 5.205 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.959 6.196 -5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.466 5.893 -5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.127 1.755 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.798 1.970 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.114 3.217 -7.257 1.00 0.00 H new ATOM 1182 N ASN A 79 1.818 4.900 -1.933 1.00 0.00 N ATOM 1183 CA ASN A 79 0.944 5.652 -1.035 1.00 0.00 C ATOM 1184 C ASN A 79 1.761 6.403 0.015 1.00 0.00 C ATOM 1185 O ASN A 79 1.545 7.591 0.255 1.00 0.00 O ATOM 1186 CB ASN A 79 -0.018 4.696 -0.327 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.054 5.483 0.467 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.895 6.680 0.704 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.121 4.868 0.896 1.00 0.00 N ATOM 0 H ASN A 79 1.649 3.894 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 79 0.383 6.372 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.516 4.061 -1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.538 4.037 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.825 5.379 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.252 3.876 0.699 1.00 0.00 H new ATOM 1196 N GLY A 80 2.700 5.697 0.639 1.00 0.00 N ATOM 1197 CA GLY A 80 3.541 6.308 1.666 1.00 0.00 C ATOM 1198 C GLY A 80 4.435 7.388 1.066 1.00 0.00 C ATOM 1199 O GLY A 80 4.773 8.371 1.726 1.00 0.00 O ATOM 0 H GLY A 80 2.897 4.713 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.914 6.741 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.156 5.543 2.140 1.00 0.00 H new ATOM 1203 N ALA A 81 4.818 7.192 -0.191 1.00 0.00 N ATOM 1204 CA ALA A 81 5.680 8.154 -0.874 1.00 0.00 C ATOM 1205 C ALA A 81 4.929 9.454 -1.155 1.00 0.00 C ATOM 1206 O ALA A 81 5.525 10.530 -1.212 1.00 0.00 O ATOM 1207 CB ALA A 81 6.185 7.572 -2.196 1.00 0.00 C ATOM 0 H ALA A 81 4.549 6.385 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 81 6.526 8.365 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.826 8.300 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.753 6.663 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.336 7.338 -2.838 1.00 0.00 H new ATOM 1213 N LEU A 82 3.614 9.346 -1.332 1.00 0.00 N ATOM 1214 CA LEU A 82 2.794 10.523 -1.611 1.00 0.00 C ATOM 1215 C LEU A 82 2.498 11.287 -0.323 1.00 0.00 C ATOM 1216 O LEU A 82 2.379 12.513 -0.326 1.00 0.00 O ATOM 1217 CB LEU A 82 1.471 10.113 -2.261 1.00 0.00 C ATOM 1218 CG LEU A 82 1.635 10.092 -3.781 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.409 9.433 -4.417 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.766 11.526 -4.298 1.00 0.00 C ATOM 0 H LEU A 82 3.098 8.467 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 82 3.351 11.164 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.167 9.129 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.683 10.811 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 82 2.529 9.526 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.525 9.418 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.312 8.412 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.485 9.999 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.883 11.513 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.871 12.090 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.638 11.998 -3.845 1.00 0.00 H new ATOM 1232 N ALA A 83 2.380 10.551 0.777 1.00 0.00 N ATOM 1233 CA ALA A 83 2.093 11.168 2.070 1.00 0.00 C ATOM 1234 C ALA A 83 3.209 12.134 2.461 1.00 0.00 C ATOM 1235 O ALA A 83 2.955 13.286 2.812 1.00 0.00 O ATOM 1236 CB ALA A 83 1.959 10.099 3.156 1.00 0.00 C ATOM 0 H ALA A 83 2.477 9.536 0.802 1.00 0.00 H new ATOM 0 HA ALA A 83 1.154 11.714 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.745 10.577 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.146 9.420 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.890 9.538 3.231 1.00 0.00 H new ATOM 1242 N GLU A 84 4.446 11.649 2.396 1.00 0.00 N ATOM 1243 CA GLU A 84 5.599 12.474 2.746 1.00 0.00 C ATOM 1244 C GLU A 84 5.676 13.704 1.842 1.00 0.00 C ATOM 1245 O GLU A 84 6.161 14.760 2.247 1.00 0.00 O ATOM 1246 CB GLU A 84 6.893 11.659 2.612 1.00 0.00 C ATOM 1247 CG GLU A 84 7.776 11.881 3.842 1.00 0.00 C ATOM 1248 CD GLU A 84 7.528 10.769 4.856 1.00 0.00 C ATOM 1249 OE1 GLU A 84 7.389 9.632 4.436 1.00 0.00 O ATOM 1250 OE2 GLU A 84 7.480 11.071 6.037 1.00 0.00 O ATOM 0 H GLU A 84 4.675 10.698 2.107 1.00 0.00 H new ATOM 0 HA GLU A 84 5.482 12.801 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.657 10.600 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.429 11.956 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.826 11.894 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.557 12.851 4.289 1.00 0.00 H new ATOM 1257 N ALA A 85 5.192 13.554 0.610 1.00 0.00 N ATOM 1258 CA ALA A 85 5.210 14.658 -0.346 1.00 0.00 C ATOM 1259 C ALA A 85 3.858 15.371 -0.365 1.00 0.00 C ATOM 1260 O ALA A 85 3.337 15.725 -1.423 1.00 0.00 O ATOM 1261 CB ALA A 85 5.527 14.139 -1.752 1.00 0.00 C ATOM 0 H ALA A 85 4.787 12.688 0.254 1.00 0.00 H new ATOM 0 HA ALA A 85 5.983 15.362 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.537 14.973 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.504 13.655 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.766 13.419 -2.054 1.00 0.00 H new ATOM 1267 N ALA A 86 3.298 15.580 0.824 1.00 0.00 N ATOM 1268 CA ALA A 86 2.008 16.253 0.938 1.00 0.00 C ATOM 1269 C ALA A 86 1.874 16.915 2.306 1.00 0.00 C ATOM 1270 O ALA A 86 2.641 16.567 3.188 1.00 0.00 O ATOM 1271 CB ALA A 86 0.864 15.254 0.752 1.00 0.00 C ATOM 1272 OXT ALA A 86 1.004 17.758 2.451 1.00 0.00 O ATOM 0 H ALA A 86 3.712 15.297 1.712 1.00 0.00 H new ATOM 0 HA ALA A 86 1.954 17.013 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.090 15.773 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.938 14.796 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.928 14.481 1.517 1.00 0.00 H new