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 Set 1.1: A 17 CYS SG : rot 129:sc= 0.839 USER MOD Set 1.2: A 48 THR OG1 : rot -150:sc= 0.68 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 95:sc= -1.91 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0872 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 56:sc= 0.896 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 79 ASN : amide:sc= -1.73 X(o=-1.7,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -6.263 8.746 -5.058 1.00 0.00 N ATOM 45 CA LEU A 4 -5.412 8.259 -3.976 1.00 0.00 C ATOM 46 C LEU A 4 -4.967 6.827 -4.251 1.00 0.00 C ATOM 47 O LEU A 4 -5.537 6.135 -5.094 1.00 0.00 O ATOM 48 CB LEU A 4 -6.163 8.296 -2.644 1.00 0.00 C ATOM 49 CG LEU A 4 -6.239 9.737 -2.138 1.00 0.00 C ATOM 50 CD1 LEU A 4 -7.458 9.893 -1.228 1.00 0.00 C ATOM 51 CD2 LEU A 4 -4.970 10.066 -1.349 1.00 0.00 C ATOM 0 HA LEU A 4 -4.539 8.909 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.167 7.891 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.655 7.669 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.328 10.417 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.513 10.920 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.363 9.656 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.368 9.214 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.022 11.093 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.882 9.387 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.100 9.953 -1.996 1.00 0.00 H new ATOM 63 N LEU A 5 -3.941 6.390 -3.526 1.00 0.00 N ATOM 64 CA LEU A 5 -3.425 5.035 -3.693 1.00 0.00 C ATOM 65 C LEU A 5 -3.966 4.137 -2.592 1.00 0.00 C ATOM 66 O LEU A 5 -3.266 3.795 -1.642 1.00 0.00 O ATOM 67 CB LEU A 5 -1.891 5.044 -3.649 1.00 0.00 C ATOM 68 CG LEU A 5 -1.308 5.238 -5.062 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.536 3.974 -5.891 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.981 6.429 -5.760 1.00 0.00 C ATOM 0 H LEU A 5 -3.455 6.948 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.749 4.652 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.545 5.844 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.529 4.107 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.239 5.434 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.123 4.114 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.043 3.129 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.605 3.776 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.558 6.553 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.052 6.246 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.811 7.335 -5.179 1.00 0.00 H new ATOM 82 N THR A 6 -5.233 3.771 -2.729 1.00 0.00 N ATOM 83 CA THR A 6 -5.880 2.920 -1.735 1.00 0.00 C ATOM 84 C THR A 6 -5.776 1.452 -2.130 1.00 0.00 C ATOM 85 O THR A 6 -5.269 1.111 -3.202 1.00 0.00 O ATOM 86 CB THR A 6 -7.359 3.292 -1.592 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.047 2.957 -2.790 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.490 4.793 -1.329 1.00 0.00 C ATOM 0 H THR A 6 -5.830 4.046 -3.509 1.00 0.00 H new ATOM 0 HA THR A 6 -5.370 3.074 -0.784 1.00 0.00 H new ATOM 0 HB THR A 6 -7.792 2.742 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.994 3.193 -2.700 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.543 5.054 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.963 5.049 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.057 5.347 -2.162 1.00 0.00 H new ATOM 96 N THR A 7 -6.263 0.586 -1.246 1.00 0.00 N ATOM 97 CA THR A 7 -6.232 -0.852 -1.495 1.00 0.00 C ATOM 98 C THR A 7 -6.999 -1.183 -2.771 1.00 0.00 C ATOM 99 O THR A 7 -6.568 -2.003 -3.577 1.00 0.00 O ATOM 100 CB THR A 7 -6.860 -1.609 -0.325 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.246 -1.197 0.889 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.656 -3.110 -0.519 1.00 0.00 C ATOM 0 H THR A 7 -6.682 0.853 -0.355 1.00 0.00 H new ATOM 0 HA THR A 7 -5.191 -1.156 -1.606 1.00 0.00 H new ATOM 0 HB THR A 7 -7.928 -1.393 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.649 -1.681 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.104 -3.649 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.129 -3.424 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.589 -3.330 -0.562 1.00 0.00 H new ATOM 110 N ASP A 8 -8.138 -0.522 -2.945 1.00 0.00 N ATOM 111 CA ASP A 8 -8.962 -0.740 -4.133 1.00 0.00 C ATOM 112 C ASP A 8 -8.176 -0.383 -5.393 1.00 0.00 C ATOM 113 O ASP A 8 -8.382 -0.968 -6.456 1.00 0.00 O ATOM 114 CB ASP A 8 -10.227 0.121 -4.076 1.00 0.00 C ATOM 115 CG ASP A 8 -11.188 -0.455 -3.042 1.00 0.00 C ATOM 116 OD1 ASP A 8 -10.922 -0.296 -1.862 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.175 -1.047 -3.446 1.00 0.00 O ATOM 0 H ASP A 8 -8.511 0.163 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.243 -1.793 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.969 1.148 -3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.704 0.150 -5.055 1.00 0.00 H new ATOM 122 N ASP A 9 -7.270 0.584 -5.259 1.00 0.00 N ATOM 123 CA ASP A 9 -6.452 1.015 -6.390 1.00 0.00 C ATOM 124 C ASP A 9 -5.517 -0.109 -6.831 1.00 0.00 C ATOM 125 O ASP A 9 -5.479 -0.478 -8.006 1.00 0.00 O ATOM 126 CB ASP A 9 -5.611 2.241 -6.013 1.00 0.00 C ATOM 127 CG ASP A 9 -4.913 2.785 -7.256 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.539 3.541 -7.981 1.00 0.00 O ATOM 129 OD2 ASP A 9 -3.762 2.438 -7.464 1.00 0.00 O ATOM 0 H ASP A 9 -7.085 1.080 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.124 1.274 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.247 3.010 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.873 1.970 -5.258 1.00 0.00 H new ATOM 134 N LEU A 10 -4.753 -0.645 -5.880 1.00 0.00 N ATOM 135 CA LEU A 10 -3.814 -1.720 -6.196 1.00 0.00 C ATOM 136 C LEU A 10 -4.554 -2.958 -6.729 1.00 0.00 C ATOM 137 O LEU A 10 -3.995 -3.755 -7.481 1.00 0.00 O ATOM 138 CB LEU A 10 -2.950 -2.067 -4.954 1.00 0.00 C ATOM 139 CG LEU A 10 -3.623 -3.118 -4.054 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.148 -4.507 -4.466 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.237 -2.879 -2.599 1.00 0.00 C ATOM 0 H LEU A 10 -4.764 -0.359 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.146 -1.374 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.979 -2.439 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.766 -1.161 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.705 -3.041 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.621 -5.256 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.417 -4.690 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.065 -4.569 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.717 -3.627 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.155 -2.955 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.563 -1.884 -2.295 1.00 0.00 H new ATOM 153 N ARG A 11 -5.815 -3.106 -6.323 1.00 0.00 N ATOM 154 CA ARG A 11 -6.620 -4.246 -6.757 1.00 0.00 C ATOM 155 C ARG A 11 -6.881 -4.175 -8.256 1.00 0.00 C ATOM 156 O ARG A 11 -6.579 -5.109 -8.994 1.00 0.00 O ATOM 157 CB ARG A 11 -7.963 -4.268 -6.020 1.00 0.00 C ATOM 158 CG ARG A 11 -8.403 -5.720 -5.786 1.00 0.00 C ATOM 159 CD ARG A 11 -9.880 -5.881 -6.155 1.00 0.00 C ATOM 160 NE ARG A 11 -10.733 -5.580 -5.010 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.776 -6.350 -4.710 1.00 0.00 C ATOM 162 NH1 ARG A 11 -11.585 -7.536 -4.199 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.989 -5.920 -4.928 1.00 0.00 N ATOM 0 H ARG A 11 -6.297 -2.457 -5.700 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.064 -5.155 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.874 -3.747 -5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.717 -3.739 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.793 -6.395 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.248 -5.993 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.127 -5.217 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.066 -6.900 -6.496 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.527 -4.766 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.637 -7.872 -4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.384 -8.127 -3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.137 -4.994 -5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.788 -6.510 -4.698 1.00 0.00 H new ATOM 177 N ARG A 12 -7.447 -3.054 -8.695 1.00 0.00 N ATOM 178 CA ARG A 12 -7.750 -2.864 -10.113 1.00 0.00 C ATOM 179 C ARG A 12 -6.481 -2.959 -10.957 1.00 0.00 C ATOM 180 O ARG A 12 -6.525 -3.347 -12.124 1.00 0.00 O ATOM 181 CB ARG A 12 -8.399 -1.498 -10.342 1.00 0.00 C ATOM 182 CG ARG A 12 -9.246 -1.542 -11.619 1.00 0.00 C ATOM 183 CD ARG A 12 -10.696 -1.902 -11.274 1.00 0.00 C ATOM 184 NE ARG A 12 -11.578 -0.762 -11.510 1.00 0.00 N ATOM 185 CZ ARG A 12 -11.798 0.143 -10.559 1.00 0.00 C ATOM 186 NH1 ARG A 12 -12.576 -0.145 -9.551 1.00 0.00 N ATOM 187 NH2 ARG A 12 -11.235 1.318 -10.634 1.00 0.00 N ATOM 0 H ARG A 12 -7.704 -2.269 -8.096 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.440 -3.652 -10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.022 -1.232 -9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.632 -0.729 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.212 -0.575 -12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.835 -2.276 -12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.019 -2.750 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.762 -2.210 -10.230 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.032 -0.658 -12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.015 -1.064 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.744 0.549 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.627 1.543 -11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.403 2.012 -9.905 1.00 0.00 H new ATOM 201 N ALA A 13 -5.350 -2.600 -10.355 1.00 0.00 N ATOM 202 CA ALA A 13 -4.074 -2.650 -11.064 1.00 0.00 C ATOM 203 C ALA A 13 -3.639 -4.097 -11.278 1.00 0.00 C ATOM 204 O ALA A 13 -3.031 -4.436 -12.293 1.00 0.00 O ATOM 205 CB ALA A 13 -2.991 -1.916 -10.271 1.00 0.00 C ATOM 0 H ALA A 13 -5.290 -2.275 -9.390 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.208 -2.164 -12.030 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.047 -1.963 -10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.281 -0.874 -10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.872 -2.387 -9.295 1.00 0.00 H new ATOM 211 N LEU A 14 -3.960 -4.946 -10.305 1.00 0.00 N ATOM 212 CA LEU A 14 -3.601 -6.362 -10.389 1.00 0.00 C ATOM 213 C LEU A 14 -4.555 -7.113 -11.320 1.00 0.00 C ATOM 214 O LEU A 14 -4.204 -8.155 -11.875 1.00 0.00 O ATOM 215 CB LEU A 14 -3.643 -7.006 -9.001 1.00 0.00 C ATOM 216 CG LEU A 14 -2.294 -6.809 -8.300 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.519 -6.568 -6.804 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.433 -8.062 -8.489 1.00 0.00 C ATOM 0 H LEU A 14 -4.463 -4.684 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.590 -6.425 -10.790 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.441 -6.561 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.866 -8.069 -9.089 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.786 -5.947 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.558 -6.428 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.130 -5.676 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.029 -7.428 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.474 -7.923 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.944 -8.923 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.268 -8.233 -9.553 1.00 0.00 H new ATOM 230 N VAL A 15 -5.764 -6.578 -11.488 1.00 0.00 N ATOM 231 CA VAL A 15 -6.755 -7.212 -12.356 1.00 0.00 C ATOM 232 C VAL A 15 -6.589 -6.746 -13.805 1.00 0.00 C ATOM 233 O VAL A 15 -7.026 -7.422 -14.736 1.00 0.00 O ATOM 234 CB VAL A 15 -8.176 -6.879 -11.885 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.186 -7.712 -12.678 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.313 -7.194 -10.388 1.00 0.00 C ATOM 0 H VAL A 15 -6.078 -5.717 -11.040 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.597 -8.289 -12.305 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.371 -5.819 -12.049 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.196 -7.475 -12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.093 -7.483 -13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.990 -8.772 -12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.324 -6.956 -10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.116 -8.253 -10.219 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.597 -6.597 -9.824 1.00 0.00 H new ATOM 246 N GLU A 16 -5.960 -5.586 -13.989 1.00 0.00 N ATOM 247 CA GLU A 16 -5.752 -5.049 -15.331 1.00 0.00 C ATOM 248 C GLU A 16 -4.897 -6.002 -16.162 1.00 0.00 C ATOM 249 O GLU A 16 -5.239 -6.337 -17.295 1.00 0.00 O ATOM 250 CB GLU A 16 -5.058 -3.687 -15.262 1.00 0.00 C ATOM 251 CG GLU A 16 -5.307 -2.917 -16.562 1.00 0.00 C ATOM 252 CD GLU A 16 -4.294 -1.786 -16.686 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.214 -2.037 -17.196 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.611 -0.684 -16.268 1.00 0.00 O ATOM 0 H GLU A 16 -5.590 -5.007 -13.235 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.729 -4.935 -15.801 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.435 -3.118 -14.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.988 -3.821 -15.106 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.224 -3.589 -17.416 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.320 -2.514 -16.570 1.00 0.00 H new ATOM 261 N CYS A 17 -3.778 -6.436 -15.582 1.00 0.00 N ATOM 262 CA CYS A 17 -2.879 -7.355 -16.280 1.00 0.00 C ATOM 263 C CYS A 17 -3.232 -8.818 -15.984 1.00 0.00 C ATOM 264 O CYS A 17 -2.424 -9.717 -16.218 1.00 0.00 O ATOM 265 CB CYS A 17 -1.427 -7.098 -15.859 1.00 0.00 C ATOM 266 SG CYS A 17 -0.653 -5.929 -17.006 1.00 0.00 S ATOM 0 H CYS A 17 -3.475 -6.171 -14.645 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.995 -7.176 -17.349 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.398 -6.700 -14.845 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.870 -8.035 -15.850 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.100 -4.963 -16.334 1.00 0.00 H new ATOM 272 N ALA A 18 -4.439 -9.058 -15.468 1.00 0.00 N ATOM 273 CA ALA A 18 -4.861 -10.421 -15.154 1.00 0.00 C ATOM 274 C ALA A 18 -5.537 -11.063 -16.362 1.00 0.00 C ATOM 275 O ALA A 18 -4.998 -11.984 -16.976 1.00 0.00 O ATOM 276 CB ALA A 18 -5.838 -10.423 -13.977 1.00 0.00 C ATOM 0 H ALA A 18 -5.131 -8.337 -15.262 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.972 -10.994 -14.888 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.141 -11.447 -13.758 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.353 -9.993 -13.101 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.717 -9.831 -14.233 1.00 0.00 H new ATOM 400 N ASP A 29 -9.289 -8.278 2.971 1.00 0.00 N ATOM 401 CA ASP A 29 -7.835 -8.209 3.090 1.00 0.00 C ATOM 402 C ASP A 29 -7.161 -8.500 1.751 1.00 0.00 C ATOM 403 O ASP A 29 -6.549 -7.618 1.151 1.00 0.00 O ATOM 404 CB ASP A 29 -7.337 -9.219 4.126 1.00 0.00 C ATOM 405 CG ASP A 29 -7.760 -8.770 5.520 1.00 0.00 C ATOM 406 OD1 ASP A 29 -7.100 -7.904 6.069 1.00 0.00 O ATOM 407 OD2 ASP A 29 -8.740 -9.300 6.019 1.00 0.00 O ATOM 0 HA ASP A 29 -7.578 -7.198 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.745 -10.207 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.252 -9.304 4.074 1.00 0.00 H new ATOM 412 N PHE A 30 -7.273 -9.755 1.301 1.00 0.00 N ATOM 413 CA PHE A 30 -6.668 -10.200 0.030 1.00 0.00 C ATOM 414 C PHE A 30 -5.258 -9.649 -0.156 1.00 0.00 C ATOM 415 O PHE A 30 -4.813 -9.398 -1.275 1.00 0.00 O ATOM 416 CB PHE A 30 -7.524 -9.797 -1.173 1.00 0.00 C ATOM 417 CG PHE A 30 -7.819 -8.317 -1.153 1.00 0.00 C ATOM 418 CD1 PHE A 30 -6.928 -7.409 -1.742 1.00 0.00 C ATOM 419 CD2 PHE A 30 -8.994 -7.853 -0.552 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.214 -6.039 -1.730 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.282 -6.485 -0.540 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.393 -5.578 -1.129 1.00 0.00 C ATOM 0 H PHE A 30 -7.779 -10.488 1.798 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.616 -11.287 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.006 -10.056 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.458 -10.358 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.020 -7.767 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.679 -8.552 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.528 -5.339 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.190 -6.128 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.616 -4.521 -1.120 1.00 0.00 H new ATOM 432 N LEU A 31 -4.564 -9.474 0.957 1.00 0.00 N ATOM 433 CA LEU A 31 -3.201 -8.958 0.913 1.00 0.00 C ATOM 434 C LEU A 31 -2.288 -9.778 1.824 1.00 0.00 C ATOM 435 O LEU A 31 -1.847 -9.314 2.876 1.00 0.00 O ATOM 436 CB LEU A 31 -3.172 -7.489 1.341 1.00 0.00 C ATOM 437 CG LEU A 31 -3.909 -6.646 0.300 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.417 -5.353 0.944 1.00 0.00 C ATOM 439 CD2 LEU A 31 -2.955 -6.307 -0.848 1.00 0.00 C ATOM 0 H LEU A 31 -4.915 -9.678 1.893 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.840 -9.037 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.641 -7.373 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.142 -7.147 1.440 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.758 -7.211 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.941 -4.756 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.099 -5.596 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.573 -4.785 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.479 -5.706 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.105 -5.745 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.601 -7.228 -1.311 1.00 0.00 H new ATOM 451 N ASP A 32 -2.011 -11.007 1.397 1.00 0.00 N ATOM 452 CA ASP A 32 -1.149 -11.898 2.167 1.00 0.00 C ATOM 453 C ASP A 32 -0.175 -12.618 1.239 1.00 0.00 C ATOM 454 O ASP A 32 1.034 -12.633 1.470 1.00 0.00 O ATOM 455 CB ASP A 32 -1.984 -12.938 2.917 1.00 0.00 C ATOM 456 CG ASP A 32 -2.467 -12.349 4.237 1.00 0.00 C ATOM 457 OD1 ASP A 32 -1.663 -12.251 5.150 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.635 -12.003 4.318 1.00 0.00 O ATOM 0 H ASP A 32 -2.368 -11.406 0.529 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.594 -11.295 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.836 -13.242 2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.389 -13.832 3.102 1.00 0.00 H new ATOM 463 N LEU A 33 -0.722 -13.213 0.182 1.00 0.00 N ATOM 464 CA LEU A 33 0.099 -13.933 -0.789 1.00 0.00 C ATOM 465 C LEU A 33 -0.463 -13.743 -2.194 1.00 0.00 C ATOM 466 O LEU A 33 -0.387 -14.639 -3.036 1.00 0.00 O ATOM 467 CB LEU A 33 0.136 -15.428 -0.459 1.00 0.00 C ATOM 468 CG LEU A 33 -1.291 -15.977 -0.385 1.00 0.00 C ATOM 469 CD1 LEU A 33 -1.293 -17.448 -0.808 1.00 0.00 C ATOM 470 CD2 LEU A 33 -1.810 -15.861 1.050 1.00 0.00 C ATOM 0 H LEU A 33 -1.721 -13.212 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 33 1.112 -13.532 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.703 -15.964 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.647 -15.588 0.491 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.935 -15.404 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.309 -17.840 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.923 -17.533 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.649 -18.020 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.826 -16.252 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.166 -16.434 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.808 -14.814 1.354 1.00 0.00 H new ATOM 482 N ARG A 34 -1.030 -12.564 -2.435 1.00 0.00 N ATOM 483 CA ARG A 34 -1.612 -12.257 -3.739 1.00 0.00 C ATOM 484 C ARG A 34 -0.545 -12.312 -4.830 1.00 0.00 C ATOM 485 O ARG A 34 -0.828 -12.665 -5.974 1.00 0.00 O ATOM 486 CB ARG A 34 -2.247 -10.863 -3.725 1.00 0.00 C ATOM 487 CG ARG A 34 -3.460 -10.847 -4.658 1.00 0.00 C ATOM 488 CD ARG A 34 -3.038 -10.346 -6.040 1.00 0.00 C ATOM 489 NE ARG A 34 -4.159 -9.697 -6.716 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.254 -10.380 -7.037 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.160 -11.449 -7.779 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.421 -9.981 -6.610 1.00 0.00 N ATOM 0 H ARG A 34 -1.099 -11.811 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.379 -13.003 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.550 -10.600 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.519 -10.117 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.884 -11.848 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.238 -10.203 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.210 -9.644 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.678 -11.181 -6.641 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.101 -8.705 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.247 -11.760 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.999 -11.974 -8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.493 -9.145 -6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.261 -10.505 -6.856 1.00 0.00 H new ATOM 506 N PHE A 35 0.685 -11.962 -4.462 1.00 0.00 N ATOM 507 CA PHE A 35 1.788 -11.977 -5.421 1.00 0.00 C ATOM 508 C PHE A 35 2.352 -13.389 -5.558 1.00 0.00 C ATOM 509 O PHE A 35 2.729 -13.819 -6.649 1.00 0.00 O ATOM 510 CB PHE A 35 2.908 -11.036 -4.968 1.00 0.00 C ATOM 511 CG PHE A 35 2.598 -9.618 -5.397 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.358 -9.044 -5.086 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.555 -8.873 -6.099 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.076 -7.729 -5.477 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.273 -7.558 -6.486 1.00 0.00 C ATOM 516 CZ PHE A 35 2.034 -6.987 -6.177 1.00 0.00 C ATOM 0 H PHE A 35 0.942 -11.668 -3.520 1.00 0.00 H new ATOM 0 HA PHE A 35 1.402 -11.642 -6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.016 -11.081 -3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.858 -11.355 -5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.619 -9.616 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.511 -9.314 -6.341 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.120 -7.288 -5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.013 -6.983 -7.024 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.817 -5.973 -6.479 1.00 0.00 H new ATOM 526 N GLU A 36 2.408 -14.104 -4.437 1.00 0.00 N ATOM 527 CA GLU A 36 2.932 -15.469 -4.439 1.00 0.00 C ATOM 528 C GLU A 36 1.787 -16.480 -4.503 1.00 0.00 C ATOM 529 O GLU A 36 1.566 -17.262 -3.577 1.00 0.00 O ATOM 530 CB GLU A 36 3.766 -15.722 -3.180 1.00 0.00 C ATOM 531 CG GLU A 36 5.195 -15.227 -3.407 1.00 0.00 C ATOM 532 CD GLU A 36 6.166 -16.096 -2.615 1.00 0.00 C ATOM 533 OE1 GLU A 36 6.313 -15.855 -1.428 1.00 0.00 O ATOM 534 OE2 GLU A 36 6.749 -16.989 -3.207 1.00 0.00 O ATOM 0 H GLU A 36 2.101 -13.767 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 36 3.565 -15.589 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.323 -15.207 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.772 -16.786 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.440 -15.264 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.285 -14.186 -3.096 1.00 0.00 H new ATOM 541 N ASP A 37 1.059 -16.452 -5.616 1.00 0.00 N ATOM 542 CA ASP A 37 -0.065 -17.365 -5.809 1.00 0.00 C ATOM 543 C ASP A 37 -0.690 -17.144 -7.181 1.00 0.00 C ATOM 544 O ASP A 37 -0.776 -18.060 -7.998 1.00 0.00 O ATOM 545 CB ASP A 37 -1.131 -17.140 -4.733 1.00 0.00 C ATOM 546 CG ASP A 37 -2.104 -18.314 -4.729 1.00 0.00 C ATOM 547 OD1 ASP A 37 -1.802 -19.307 -4.087 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.138 -18.203 -5.366 1.00 0.00 O ATOM 0 H ASP A 37 1.225 -15.812 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 37 0.310 -18.386 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.660 -17.040 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.667 -16.210 -4.925 1.00 0.00 H new ATOM 553 N ILE A 38 -1.119 -15.909 -7.424 1.00 0.00 N ATOM 554 CA ILE A 38 -1.732 -15.556 -8.701 1.00 0.00 C ATOM 555 C ILE A 38 -0.720 -15.757 -9.835 1.00 0.00 C ATOM 556 O ILE A 38 -1.070 -16.184 -10.935 1.00 0.00 O ATOM 557 CB ILE A 38 -2.228 -14.092 -8.649 1.00 0.00 C ATOM 558 CG1 ILE A 38 -3.196 -13.795 -9.816 1.00 0.00 C ATOM 559 CG2 ILE A 38 -1.047 -13.110 -8.670 1.00 0.00 C ATOM 560 CD1 ILE A 38 -2.482 -13.830 -11.176 1.00 0.00 C ATOM 0 H ILE A 38 -1.054 -15.139 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.588 -16.203 -8.891 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.769 -13.958 -7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.005 -14.526 -9.812 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.651 -12.815 -9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.423 -12.088 -8.633 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.406 -13.293 -7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.472 -13.252 -9.585 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.199 -13.616 -11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.690 -13.081 -11.191 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.050 -14.818 -11.335 1.00 0.00 H new ATOM 572 N GLY A 39 0.538 -15.441 -9.543 1.00 0.00 N ATOM 573 CA GLY A 39 1.602 -15.583 -10.534 1.00 0.00 C ATOM 574 C GLY A 39 2.243 -14.231 -10.841 1.00 0.00 C ATOM 575 O GLY A 39 2.615 -13.950 -11.981 1.00 0.00 O ATOM 0 H GLY A 39 0.845 -15.088 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.360 -16.274 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.197 -16.015 -11.449 1.00 0.00 H new ATOM 579 N TYR A 40 2.374 -13.399 -9.810 1.00 0.00 N ATOM 580 CA TYR A 40 2.978 -12.080 -9.977 1.00 0.00 C ATOM 581 C TYR A 40 4.304 -12.016 -9.220 1.00 0.00 C ATOM 582 O TYR A 40 4.422 -11.350 -8.191 1.00 0.00 O ATOM 583 CB TYR A 40 2.037 -10.986 -9.451 1.00 0.00 C ATOM 584 CG TYR A 40 1.237 -10.409 -10.595 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.897 -9.828 -11.685 1.00 0.00 C ATOM 586 CD2 TYR A 40 -0.164 -10.452 -10.568 1.00 0.00 C ATOM 587 CE1 TYR A 40 1.158 -9.292 -12.747 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.901 -9.916 -11.629 1.00 0.00 C ATOM 589 CZ TYR A 40 -0.240 -9.336 -12.718 1.00 0.00 C ATOM 590 OH TYR A 40 -0.969 -8.808 -13.764 1.00 0.00 O ATOM 0 H TYR A 40 2.073 -13.612 -8.859 1.00 0.00 H new ATOM 0 HA TYR A 40 3.155 -11.914 -11.040 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.366 -11.401 -8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.614 -10.199 -8.965 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.976 -9.793 -11.707 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.674 -10.899 -9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.667 -8.845 -13.588 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.980 -9.950 -11.608 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.192 -9.520 -14.400 1.00 0.00 H new ATOM 600 N ASP A 41 5.299 -12.728 -9.739 1.00 0.00 N ATOM 601 CA ASP A 41 6.613 -12.756 -9.102 1.00 0.00 C ATOM 602 C ASP A 41 7.249 -11.369 -9.109 1.00 0.00 C ATOM 603 O ASP A 41 7.698 -10.875 -8.075 1.00 0.00 O ATOM 604 CB ASP A 41 7.548 -13.749 -9.806 1.00 0.00 C ATOM 605 CG ASP A 41 7.501 -13.549 -11.319 1.00 0.00 C ATOM 606 OD1 ASP A 41 6.648 -14.150 -11.951 1.00 0.00 O ATOM 607 OD2 ASP A 41 8.323 -12.802 -11.822 1.00 0.00 O ATOM 0 H ASP A 41 5.224 -13.287 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 41 6.468 -13.078 -8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.568 -13.614 -9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.256 -14.770 -9.559 1.00 0.00 H new ATOM 612 N SER A 42 7.281 -10.741 -10.284 1.00 0.00 N ATOM 613 CA SER A 42 7.866 -9.403 -10.408 1.00 0.00 C ATOM 614 C SER A 42 7.863 -8.941 -11.863 1.00 0.00 C ATOM 615 O SER A 42 7.452 -7.825 -12.172 1.00 0.00 O ATOM 616 CB SER A 42 9.309 -9.388 -9.895 1.00 0.00 C ATOM 617 OG SER A 42 9.918 -10.643 -10.169 1.00 0.00 O ATOM 0 H SER A 42 6.915 -11.129 -11.153 1.00 0.00 H new ATOM 0 HA SER A 42 7.257 -8.727 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.870 -8.586 -10.375 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.324 -9.190 -8.823 1.00 0.00 H new ATOM 0 HG SER A 42 10.842 -10.636 -9.843 1.00 0.00 H new ATOM 623 N LEU A 43 8.338 -9.809 -12.752 1.00 0.00 N ATOM 624 CA LEU A 43 8.400 -9.479 -14.176 1.00 0.00 C ATOM 625 C LEU A 43 7.016 -9.140 -14.727 1.00 0.00 C ATOM 626 O LEU A 43 6.879 -8.307 -15.622 1.00 0.00 O ATOM 627 CB LEU A 43 8.978 -10.654 -14.969 1.00 0.00 C ATOM 628 CG LEU A 43 8.155 -11.918 -14.693 1.00 0.00 C ATOM 629 CD1 LEU A 43 7.158 -12.143 -15.832 1.00 0.00 C ATOM 630 CD2 LEU A 43 9.091 -13.126 -14.596 1.00 0.00 C ATOM 0 H LEU A 43 8.683 -10.739 -12.516 1.00 0.00 H new ATOM 0 HA LEU A 43 9.045 -8.607 -14.283 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.967 -10.427 -16.035 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.019 -10.818 -14.689 1.00 0.00 H new ATOM 0 HG LEU A 43 7.614 -11.796 -13.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.575 -13.042 -15.633 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.489 -11.285 -15.905 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.699 -12.262 -16.771 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.506 -14.025 -14.400 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.632 -13.243 -15.535 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.802 -12.971 -13.784 1.00 0.00 H new ATOM 642 N ALA A 44 5.995 -9.798 -14.189 1.00 0.00 N ATOM 643 CA ALA A 44 4.626 -9.560 -14.645 1.00 0.00 C ATOM 644 C ALA A 44 4.073 -8.267 -14.049 1.00 0.00 C ATOM 645 O ALA A 44 3.468 -7.454 -14.748 1.00 0.00 O ATOM 646 CB ALA A 44 3.718 -10.723 -14.240 1.00 0.00 C ATOM 0 H ALA A 44 6.084 -10.492 -13.447 1.00 0.00 H new ATOM 0 HA ALA A 44 4.648 -9.474 -15.731 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.703 -10.530 -14.587 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.086 -11.645 -14.689 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.718 -10.823 -13.155 1.00 0.00 H new ATOM 652 N LEU A 45 4.281 -8.095 -12.747 1.00 0.00 N ATOM 653 CA LEU A 45 3.794 -6.900 -12.055 1.00 0.00 C ATOM 654 C LEU A 45 4.714 -5.691 -12.269 1.00 0.00 C ATOM 655 O LEU A 45 4.458 -4.609 -11.744 1.00 0.00 O ATOM 656 CB LEU A 45 3.676 -7.178 -10.554 1.00 0.00 C ATOM 657 CG LEU A 45 5.050 -7.556 -9.977 1.00 0.00 C ATOM 658 CD1 LEU A 45 5.649 -6.357 -9.235 1.00 0.00 C ATOM 659 CD2 LEU A 45 4.893 -8.730 -9.006 1.00 0.00 C ATOM 0 H LEU A 45 4.778 -8.759 -12.153 1.00 0.00 H new ATOM 0 HA LEU A 45 2.817 -6.661 -12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.288 -6.297 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.965 -7.986 -10.381 1.00 0.00 H new ATOM 0 HG LEU A 45 5.714 -7.843 -10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.623 -6.630 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.766 -5.523 -9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.985 -6.064 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.868 -8.997 -8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.225 -8.443 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.474 -9.586 -9.535 1.00 0.00 H new ATOM 671 N MET A 46 5.787 -5.877 -13.038 1.00 0.00 N ATOM 672 CA MET A 46 6.723 -4.783 -13.296 1.00 0.00 C ATOM 673 C MET A 46 6.135 -3.796 -14.301 1.00 0.00 C ATOM 674 O MET A 46 6.415 -2.598 -14.252 1.00 0.00 O ATOM 675 CB MET A 46 8.045 -5.324 -13.848 1.00 0.00 C ATOM 676 CG MET A 46 9.075 -4.193 -13.920 1.00 0.00 C ATOM 677 SD MET A 46 10.742 -4.890 -13.815 1.00 0.00 S ATOM 678 CE MET A 46 10.897 -5.373 -15.552 1.00 0.00 C ATOM 0 H MET A 46 6.027 -6.761 -13.487 1.00 0.00 H new ATOM 0 HA MET A 46 6.905 -4.273 -12.350 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.416 -6.126 -13.210 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.889 -5.751 -14.839 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.959 -3.639 -14.852 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.913 -3.486 -13.106 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.871 -5.834 -15.716 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.111 -6.086 -15.803 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.802 -4.491 -16.185 1.00 0.00 H new ATOM 688 N GLU A 47 5.321 -4.312 -15.218 1.00 0.00 N ATOM 689 CA GLU A 47 4.705 -3.467 -16.238 1.00 0.00 C ATOM 690 C GLU A 47 3.640 -2.563 -15.621 1.00 0.00 C ATOM 691 O GLU A 47 3.699 -1.339 -15.741 1.00 0.00 O ATOM 692 CB GLU A 47 4.057 -4.325 -17.325 1.00 0.00 C ATOM 693 CG GLU A 47 4.022 -3.545 -18.640 1.00 0.00 C ATOM 694 CD GLU A 47 2.874 -2.541 -18.604 1.00 0.00 C ATOM 695 OE1 GLU A 47 1.794 -2.921 -18.182 1.00 0.00 O ATOM 696 OE2 GLU A 47 3.092 -1.407 -18.997 1.00 0.00 O ATOM 0 H GLU A 47 5.074 -5.300 -15.277 1.00 0.00 H new ATOM 0 HA GLU A 47 5.490 -2.852 -16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.618 -5.251 -17.454 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.046 -4.603 -17.028 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.968 -3.026 -18.793 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.894 -4.230 -19.478 1.00 0.00 H new ATOM 703 N THR A 48 2.663 -3.181 -14.963 1.00 0.00 N ATOM 704 CA THR A 48 1.580 -2.427 -14.331 1.00 0.00 C ATOM 705 C THR A 48 2.131 -1.446 -13.298 1.00 0.00 C ATOM 706 O THR A 48 1.704 -0.295 -13.224 1.00 0.00 O ATOM 707 CB THR A 48 0.600 -3.383 -13.642 1.00 0.00 C ATOM 708 OG1 THR A 48 0.174 -4.370 -14.571 1.00 0.00 O ATOM 709 CG2 THR A 48 -0.613 -2.602 -13.133 1.00 0.00 C ATOM 0 H THR A 48 2.597 -4.193 -14.853 1.00 0.00 H new ATOM 0 HA THR A 48 1.062 -1.869 -15.111 1.00 0.00 H new ATOM 0 HB THR A 48 1.096 -3.864 -12.799 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.734 -4.661 -14.345 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.307 -3.286 -12.644 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.286 -1.846 -12.420 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.112 -2.117 -13.972 1.00 0.00 H new ATOM 717 N ALA A 49 3.082 -1.919 -12.499 1.00 0.00 N ATOM 718 CA ALA A 49 3.686 -1.081 -11.465 1.00 0.00 C ATOM 719 C ALA A 49 4.532 0.032 -12.084 1.00 0.00 C ATOM 720 O ALA A 49 4.729 1.086 -11.478 1.00 0.00 O ATOM 721 CB ALA A 49 4.571 -1.925 -10.546 1.00 0.00 C ATOM 0 H ALA A 49 3.450 -2.869 -12.545 1.00 0.00 H new ATOM 0 HA ALA A 49 2.876 -0.634 -10.889 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.014 -1.287 -9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.968 -2.698 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.363 -2.392 -11.132 1.00 0.00 H new ATOM 727 N ALA A 50 5.038 -0.212 -13.291 1.00 0.00 N ATOM 728 CA ALA A 50 5.868 0.781 -13.971 1.00 0.00 C ATOM 729 C ALA A 50 5.025 1.960 -14.448 1.00 0.00 C ATOM 730 O ALA A 50 5.487 3.101 -14.472 1.00 0.00 O ATOM 731 CB ALA A 50 6.572 0.153 -15.176 1.00 0.00 C ATOM 0 H ALA A 50 4.891 -1.076 -13.813 1.00 0.00 H new ATOM 0 HA ALA A 50 6.610 1.137 -13.257 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.186 0.905 -15.671 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.205 -0.668 -14.840 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.827 -0.226 -15.876 1.00 0.00 H new ATOM 737 N ARG A 51 3.785 1.673 -14.834 1.00 0.00 N ATOM 738 CA ARG A 51 2.887 2.721 -15.316 1.00 0.00 C ATOM 739 C ARG A 51 2.381 3.573 -14.155 1.00 0.00 C ATOM 740 O ARG A 51 2.437 4.802 -14.199 1.00 0.00 O ATOM 741 CB ARG A 51 1.687 2.107 -16.041 1.00 0.00 C ATOM 742 CG ARG A 51 1.088 3.138 -17.001 1.00 0.00 C ATOM 743 CD ARG A 51 0.059 2.457 -17.904 1.00 0.00 C ATOM 744 NE ARG A 51 0.718 1.592 -18.879 1.00 0.00 N ATOM 745 CZ ARG A 51 0.271 1.500 -20.127 1.00 0.00 C ATOM 746 NH1 ARG A 51 0.698 2.333 -21.037 1.00 0.00 N ATOM 747 NH2 ARG A 51 -0.596 0.577 -20.444 1.00 0.00 N ATOM 0 H ARG A 51 3.382 0.736 -14.824 1.00 0.00 H new ATOM 0 HA ARG A 51 3.449 3.349 -16.007 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.997 1.219 -16.592 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.936 1.788 -15.318 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.617 3.944 -16.438 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.876 3.589 -17.605 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.632 1.870 -17.298 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.533 3.211 -18.422 1.00 0.00 H new ATOM 0 HE ARG A 51 1.535 1.050 -18.597 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.375 3.055 -20.790 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.355 2.262 -21.995 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.931 -0.074 -19.734 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.939 0.507 -21.402 1.00 0.00 H new ATOM 761 N LEU A 52 1.886 2.906 -13.118 1.00 0.00 N ATOM 762 CA LEU A 52 1.367 3.609 -11.946 1.00 0.00 C ATOM 763 C LEU A 52 2.478 4.381 -11.234 1.00 0.00 C ATOM 764 O LEU A 52 2.221 5.379 -10.562 1.00 0.00 O ATOM 765 CB LEU A 52 0.744 2.619 -10.959 1.00 0.00 C ATOM 766 CG LEU A 52 -0.694 2.312 -11.381 1.00 0.00 C ATOM 767 CD1 LEU A 52 -1.208 1.101 -10.599 1.00 0.00 C ATOM 768 CD2 LEU A 52 -1.583 3.524 -11.084 1.00 0.00 C ATOM 0 H LEU A 52 1.832 1.889 -13.063 1.00 0.00 H new ATOM 0 HA LEU A 52 0.608 4.310 -12.294 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.330 1.700 -10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.757 3.036 -9.952 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.720 2.094 -12.449 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.233 0.882 -10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.576 0.238 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.182 1.319 -9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.608 3.306 -11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.556 3.742 -10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.218 4.388 -11.640 1.00 0.00 H new ATOM 780 N GLU A 53 3.715 3.906 -11.384 1.00 0.00 N ATOM 781 CA GLU A 53 4.856 4.561 -10.743 1.00 0.00 C ATOM 782 C GLU A 53 5.489 5.617 -11.655 1.00 0.00 C ATOM 783 O GLU A 53 6.653 5.978 -11.482 1.00 0.00 O ATOM 784 CB GLU A 53 5.920 3.527 -10.374 1.00 0.00 C ATOM 785 CG GLU A 53 6.836 4.101 -9.291 1.00 0.00 C ATOM 786 CD GLU A 53 6.265 3.770 -7.916 1.00 0.00 C ATOM 787 OE1 GLU A 53 6.284 2.606 -7.552 1.00 0.00 O ATOM 788 OE2 GLU A 53 5.819 4.687 -7.246 1.00 0.00 O ATOM 0 H GLU A 53 3.951 3.081 -11.936 1.00 0.00 H new ATOM 0 HA GLU A 53 4.483 5.054 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.446 2.613 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.504 3.260 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.839 3.686 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.925 5.181 -9.410 1.00 0.00 H new ATOM 795 N SER A 54 4.722 6.113 -12.625 1.00 0.00 N ATOM 796 CA SER A 54 5.239 7.125 -13.540 1.00 0.00 C ATOM 797 C SER A 54 4.761 8.511 -13.117 1.00 0.00 C ATOM 798 O SER A 54 5.560 9.432 -12.942 1.00 0.00 O ATOM 799 CB SER A 54 4.768 6.849 -14.968 1.00 0.00 C ATOM 800 OG SER A 54 5.331 5.624 -15.418 1.00 0.00 O ATOM 0 H SER A 54 3.755 5.835 -12.795 1.00 0.00 H new ATOM 0 HA SER A 54 6.328 7.087 -13.507 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.680 6.797 -15.001 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.068 7.664 -15.626 1.00 0.00 H new ATOM 0 HG SER A 54 5.094 4.906 -14.794 1.00 0.00 H new ATOM 806 N ARG A 55 3.449 8.646 -12.951 1.00 0.00 N ATOM 807 CA ARG A 55 2.870 9.923 -12.542 1.00 0.00 C ATOM 808 C ARG A 55 3.362 10.298 -11.148 1.00 0.00 C ATOM 809 O ARG A 55 3.589 11.471 -10.847 1.00 0.00 O ATOM 810 CB ARG A 55 1.341 9.836 -12.528 1.00 0.00 C ATOM 811 CG ARG A 55 0.744 11.220 -12.248 1.00 0.00 C ATOM 812 CD ARG A 55 0.612 11.998 -13.557 1.00 0.00 C ATOM 813 NE ARG A 55 -0.730 11.849 -14.112 1.00 0.00 N ATOM 814 CZ ARG A 55 -1.096 12.506 -15.209 1.00 0.00 C ATOM 815 NH1 ARG A 55 -1.622 13.696 -15.112 1.00 0.00 N ATOM 816 NH2 ARG A 55 -0.929 11.960 -16.382 1.00 0.00 N ATOM 0 H ARG A 55 2.772 7.896 -13.091 1.00 0.00 H new ATOM 0 HA ARG A 55 3.181 10.685 -13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.980 9.461 -13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.015 9.128 -11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.233 11.117 -11.775 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.379 11.767 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.824 13.053 -13.382 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.350 11.640 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.398 11.231 -13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.753 14.123 -14.195 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.903 14.200 -15.953 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.518 11.030 -16.458 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.210 12.464 -17.224 1.00 0.00 H new ATOM 830 N TYR A 56 3.523 9.287 -10.301 1.00 0.00 N ATOM 831 CA TYR A 56 3.987 9.514 -8.935 1.00 0.00 C ATOM 832 C TYR A 56 5.508 9.418 -8.874 1.00 0.00 C ATOM 833 O TYR A 56 6.189 10.359 -8.465 1.00 0.00 O ATOM 834 CB TYR A 56 3.379 8.484 -7.972 1.00 0.00 C ATOM 835 CG TYR A 56 1.886 8.371 -8.205 1.00 0.00 C ATOM 836 CD1 TYR A 56 1.090 9.525 -8.244 1.00 0.00 C ATOM 837 CD2 TYR A 56 1.299 7.111 -8.382 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.289 9.417 -8.463 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.079 7.005 -8.601 1.00 0.00 C ATOM 840 CZ TYR A 56 -0.873 8.158 -8.641 1.00 0.00 C ATOM 841 OH TYR A 56 -2.232 8.053 -8.856 1.00 0.00 O ATOM 0 H TYR A 56 3.341 8.310 -10.532 1.00 0.00 H new ATOM 0 HA TYR A 56 3.669 10.512 -8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.852 7.513 -8.119 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.573 8.780 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.540 10.497 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.910 6.221 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.902 10.306 -8.495 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.530 6.034 -8.739 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.475 7.109 -8.961 1.00 0.00 H new ATOM 851 N GLY A 57 6.035 8.269 -9.295 1.00 0.00 N ATOM 852 CA GLY A 57 7.481 8.051 -9.297 1.00 0.00 C ATOM 853 C GLY A 57 8.084 8.288 -7.913 1.00 0.00 C ATOM 854 O GLY A 57 8.667 9.339 -7.648 1.00 0.00 O ATOM 0 H GLY A 57 5.487 7.480 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.696 7.032 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.950 8.720 -10.019 1.00 0.00 H new ATOM 858 N VAL A 58 7.942 7.297 -7.037 1.00 0.00 N ATOM 859 CA VAL A 58 8.481 7.402 -5.687 1.00 0.00 C ATOM 860 C VAL A 58 10.005 7.547 -5.745 1.00 0.00 C ATOM 861 O VAL A 58 10.622 7.300 -6.781 1.00 0.00 O ATOM 862 CB VAL A 58 8.082 6.162 -4.871 1.00 0.00 C ATOM 863 CG1 VAL A 58 8.713 4.902 -5.474 1.00 0.00 C ATOM 864 CG2 VAL A 58 8.536 6.319 -3.422 1.00 0.00 C ATOM 0 H VAL A 58 7.462 6.419 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 58 8.069 8.285 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 58 6.997 6.064 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.422 4.032 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.368 4.778 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.799 4.999 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.248 5.435 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.619 6.434 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.065 7.200 -2.987 1.00 0.00 H new ATOM 874 N SER A 59 10.601 7.969 -4.634 1.00 0.00 N ATOM 875 CA SER A 59 12.050 8.166 -4.585 1.00 0.00 C ATOM 876 C SER A 59 12.799 6.875 -4.919 1.00 0.00 C ATOM 877 O SER A 59 13.834 6.904 -5.585 1.00 0.00 O ATOM 878 CB SER A 59 12.474 8.643 -3.196 1.00 0.00 C ATOM 879 OG SER A 59 12.449 10.064 -3.161 1.00 0.00 O ATOM 0 H SER A 59 10.112 8.180 -3.764 1.00 0.00 H new ATOM 0 HA SER A 59 12.303 8.921 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.803 8.237 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.475 8.279 -2.963 1.00 0.00 H new ATOM 0 HG SER A 59 12.719 10.374 -2.271 1.00 0.00 H new ATOM 885 N ILE A 60 12.279 5.745 -4.449 1.00 0.00 N ATOM 886 CA ILE A 60 12.931 4.461 -4.712 1.00 0.00 C ATOM 887 C ILE A 60 11.893 3.359 -4.970 1.00 0.00 C ATOM 888 O ILE A 60 11.585 2.569 -4.076 1.00 0.00 O ATOM 889 CB ILE A 60 13.812 4.053 -3.526 1.00 0.00 C ATOM 890 CG1 ILE A 60 14.754 5.206 -3.166 1.00 0.00 C ATOM 891 CG2 ILE A 60 14.639 2.822 -3.904 1.00 0.00 C ATOM 892 CD1 ILE A 60 15.537 4.855 -1.898 1.00 0.00 C ATOM 0 H ILE A 60 11.425 5.688 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 60 13.550 4.582 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 60 13.179 3.819 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.443 5.397 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.182 6.121 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 60 15.266 2.532 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.971 2.000 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 60 15.270 3.057 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 60 16.206 5.677 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.841 4.686 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 60 16.121 3.951 -2.070 1.00 0.00 H new ATOM 904 N PRO A 61 11.346 3.280 -6.196 1.00 0.00 N ATOM 905 CA PRO A 61 10.351 2.247 -6.540 1.00 0.00 C ATOM 906 C PRO A 61 10.988 0.919 -6.931 1.00 0.00 C ATOM 907 O PRO A 61 10.429 -0.152 -6.703 1.00 0.00 O ATOM 908 CB PRO A 61 9.638 2.867 -7.736 1.00 0.00 C ATOM 909 CG PRO A 61 10.600 3.875 -8.358 1.00 0.00 C ATOM 910 CD PRO A 61 11.671 4.201 -7.309 1.00 0.00 C ATOM 0 HA PRO A 61 9.701 2.002 -5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.362 2.100 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.716 3.357 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.058 3.463 -9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.068 4.779 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.676 4.029 -7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.623 5.244 -6.996 1.00 0.00 H new ATOM 918 N ASP A 62 12.160 1.013 -7.532 1.00 0.00 N ATOM 919 CA ASP A 62 12.888 -0.174 -7.977 1.00 0.00 C ATOM 920 C ASP A 62 13.210 -1.106 -6.808 1.00 0.00 C ATOM 921 O ASP A 62 13.425 -2.303 -6.999 1.00 0.00 O ATOM 922 CB ASP A 62 14.196 0.230 -8.658 1.00 0.00 C ATOM 923 CG ASP A 62 13.933 0.537 -10.128 1.00 0.00 C ATOM 924 OD1 ASP A 62 13.064 1.350 -10.397 1.00 0.00 O ATOM 925 OD2 ASP A 62 14.606 -0.044 -10.964 1.00 0.00 O ATOM 0 H ASP A 62 12.633 1.896 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 62 12.246 -0.702 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.620 1.104 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.927 -0.573 -8.569 1.00 0.00 H new ATOM 930 N ASP A 63 13.256 -0.550 -5.599 1.00 0.00 N ATOM 931 CA ASP A 63 13.571 -1.354 -4.421 1.00 0.00 C ATOM 932 C ASP A 63 12.513 -2.439 -4.193 1.00 0.00 C ATOM 933 O ASP A 63 12.712 -3.601 -4.556 1.00 0.00 O ATOM 934 CB ASP A 63 13.672 -0.464 -3.176 1.00 0.00 C ATOM 935 CG ASP A 63 15.114 0.003 -2.998 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.763 0.250 -4.001 1.00 0.00 O ATOM 937 OD2 ASP A 63 15.546 0.107 -1.863 1.00 0.00 O ATOM 0 H ASP A 63 13.082 0.437 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 63 14.532 -1.837 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.010 0.396 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.346 -1.016 -2.294 1.00 0.00 H new ATOM 942 N VAL A 64 11.392 -2.061 -3.579 1.00 0.00 N ATOM 943 CA VAL A 64 10.332 -3.026 -3.303 1.00 0.00 C ATOM 944 C VAL A 64 9.759 -3.592 -4.604 1.00 0.00 C ATOM 945 O VAL A 64 9.617 -4.804 -4.751 1.00 0.00 O ATOM 946 CB VAL A 64 9.214 -2.387 -2.460 1.00 0.00 C ATOM 947 CG1 VAL A 64 8.535 -1.254 -3.233 1.00 0.00 C ATOM 948 CG2 VAL A 64 8.171 -3.448 -2.095 1.00 0.00 C ATOM 0 H VAL A 64 11.197 -1.109 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 64 10.767 -3.846 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 64 9.658 -1.978 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.748 -0.816 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.272 -0.489 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.101 -1.649 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.381 -2.992 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.742 -3.865 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.646 -4.243 -1.521 1.00 0.00 H new ATOM 958 N ALA A 65 9.442 -2.707 -5.549 1.00 0.00 N ATOM 959 CA ALA A 65 8.886 -3.143 -6.832 1.00 0.00 C ATOM 960 C ALA A 65 9.827 -4.130 -7.519 1.00 0.00 C ATOM 961 O ALA A 65 9.391 -5.024 -8.244 1.00 0.00 O ATOM 962 CB ALA A 65 8.657 -1.946 -7.757 1.00 0.00 C ATOM 0 H ALA A 65 9.558 -1.698 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 65 7.933 -3.632 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.244 -2.292 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.959 -1.252 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.605 -1.440 -7.938 1.00 0.00 H new ATOM 968 N GLY A 66 11.124 -3.963 -7.272 1.00 0.00 N ATOM 969 CA GLY A 66 12.117 -4.854 -7.860 1.00 0.00 C ATOM 970 C GLY A 66 11.972 -6.254 -7.279 1.00 0.00 C ATOM 971 O GLY A 66 12.086 -7.254 -7.989 1.00 0.00 O ATOM 0 H GLY A 66 11.507 -3.229 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.993 -4.886 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.120 -4.473 -7.666 1.00 0.00 H new ATOM 975 N ARG A 67 11.713 -6.311 -5.975 1.00 0.00 N ATOM 976 CA ARG A 67 11.546 -7.593 -5.297 1.00 0.00 C ATOM 977 C ARG A 67 10.384 -7.527 -4.301 1.00 0.00 C ATOM 978 O ARG A 67 10.578 -7.624 -3.088 1.00 0.00 O ATOM 979 CB ARG A 67 12.830 -7.974 -4.551 1.00 0.00 C ATOM 980 CG ARG A 67 13.734 -8.803 -5.467 1.00 0.00 C ATOM 981 CD ARG A 67 15.202 -8.522 -5.132 1.00 0.00 C ATOM 982 NE ARG A 67 15.995 -9.746 -5.217 1.00 0.00 N ATOM 983 CZ ARG A 67 17.322 -9.709 -5.145 1.00 0.00 C ATOM 984 NH1 ARG A 67 17.906 -9.079 -4.163 1.00 0.00 N ATOM 985 NH2 ARG A 67 18.042 -10.303 -6.057 1.00 0.00 N ATOM 0 H ARG A 67 11.615 -5.494 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 67 11.329 -8.349 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.353 -7.075 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.585 -8.543 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.519 -9.864 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.535 -8.557 -6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.601 -7.776 -5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.277 -8.103 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 67 15.523 -10.643 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.344 -8.614 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.924 -9.051 -4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.587 -10.796 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.060 -10.274 -6.002 1.00 0.00 H new ATOM 999 N VAL A 68 9.168 -7.365 -4.824 1.00 0.00 N ATOM 1000 CA VAL A 68 7.992 -7.294 -3.960 1.00 0.00 C ATOM 1001 C VAL A 68 7.310 -8.661 -3.871 1.00 0.00 C ATOM 1002 O VAL A 68 6.762 -9.167 -4.851 1.00 0.00 O ATOM 1003 CB VAL A 68 6.988 -6.237 -4.466 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.411 -6.641 -5.828 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.846 -6.092 -3.453 1.00 0.00 C ATOM 0 H VAL A 68 8.974 -7.282 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 68 8.328 -6.998 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 68 7.511 -5.287 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.706 -5.881 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.220 -6.732 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.897 -7.598 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.136 -5.346 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.338 -7.050 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.251 -5.778 -2.491 1.00 0.00 H new ATOM 1015 N ASP A 69 7.346 -9.247 -2.679 1.00 0.00 N ATOM 1016 CA ASP A 69 6.725 -10.551 -2.462 1.00 0.00 C ATOM 1017 C ASP A 69 5.311 -10.374 -1.914 1.00 0.00 C ATOM 1018 O ASP A 69 4.423 -11.185 -2.175 1.00 0.00 O ATOM 1019 CB ASP A 69 7.544 -11.384 -1.475 1.00 0.00 C ATOM 1020 CG ASP A 69 7.017 -12.815 -1.457 1.00 0.00 C ATOM 1021 OD1 ASP A 69 5.949 -13.025 -0.906 1.00 0.00 O ATOM 1022 OD2 ASP A 69 7.688 -13.679 -1.994 1.00 0.00 O ATOM 0 H ASP A 69 7.794 -8.846 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 69 6.686 -11.070 -3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.596 -11.376 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.482 -10.950 -0.477 1.00 0.00 H new ATOM 1027 N THR A 70 5.114 -9.299 -1.154 1.00 0.00 N ATOM 1028 CA THR A 70 3.804 -9.017 -0.575 1.00 0.00 C ATOM 1029 C THR A 70 3.107 -7.905 -1.369 1.00 0.00 C ATOM 1030 O THR A 70 3.769 -7.011 -1.895 1.00 0.00 O ATOM 1031 CB THR A 70 3.947 -8.575 0.882 1.00 0.00 C ATOM 1032 OG1 THR A 70 5.187 -7.902 1.051 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.898 -9.798 1.798 1.00 0.00 C ATOM 0 H THR A 70 5.837 -8.616 -0.927 1.00 0.00 H new ATOM 0 HA THR A 70 3.208 -9.929 -0.618 1.00 0.00 H new ATOM 0 HB THR A 70 3.129 -7.902 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.280 -7.616 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.000 -9.480 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.946 -10.312 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.713 -10.475 1.544 1.00 0.00 H new ATOM 1041 N PRO A 71 1.769 -7.937 -1.469 1.00 0.00 N ATOM 1042 CA PRO A 71 1.024 -6.905 -2.215 1.00 0.00 C ATOM 1043 C PRO A 71 0.830 -5.627 -1.402 1.00 0.00 C ATOM 1044 O PRO A 71 0.967 -4.517 -1.916 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.313 -7.586 -2.467 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.481 -8.647 -1.387 1.00 0.00 C ATOM 1047 CD PRO A 71 0.915 -8.982 -0.855 1.00 0.00 C ATOM 0 HA PRO A 71 1.543 -6.584 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.128 -6.863 -2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.335 -8.038 -3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.120 -8.280 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.961 -9.537 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.951 -8.944 0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.229 -9.983 -1.149 1.00 0.00 H new ATOM 1055 N ARG A 72 0.510 -5.803 -0.123 1.00 0.00 N ATOM 1056 CA ARG A 72 0.295 -4.664 0.767 1.00 0.00 C ATOM 1057 C ARG A 72 1.546 -3.786 0.853 1.00 0.00 C ATOM 1058 O ARG A 72 1.470 -2.622 1.243 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.070 -5.147 2.172 1.00 0.00 C ATOM 1060 CG ARG A 72 -0.955 -4.104 2.859 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.971 -4.810 3.760 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.952 -3.857 4.274 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.227 -4.204 4.431 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.586 -4.928 5.456 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -5.120 -3.820 3.561 1.00 0.00 N ATOM 0 H ARG A 72 0.394 -6.715 0.319 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.524 -4.075 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.593 -6.102 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.835 -5.313 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.342 -3.423 3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.472 -3.502 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.478 -5.595 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.455 -5.293 4.590 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.655 -2.912 4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.889 -5.228 6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.564 -5.193 5.576 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.841 -3.254 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.097 -4.086 3.682 1.00 0.00 H new ATOM 1079 N GLU A 73 2.701 -4.349 0.493 1.00 0.00 N ATOM 1080 CA GLU A 73 3.952 -3.594 0.545 1.00 0.00 C ATOM 1081 C GLU A 73 4.025 -2.592 -0.605 1.00 0.00 C ATOM 1082 O GLU A 73 4.454 -1.452 -0.426 1.00 0.00 O ATOM 1083 CB GLU A 73 5.152 -4.537 0.460 1.00 0.00 C ATOM 1084 CG GLU A 73 6.409 -3.807 0.935 1.00 0.00 C ATOM 1085 CD GLU A 73 6.503 -3.891 2.454 1.00 0.00 C ATOM 1086 OE1 GLU A 73 5.624 -3.360 3.112 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.451 -4.487 2.937 1.00 0.00 O ATOM 0 H GLU A 73 2.795 -5.311 0.167 1.00 0.00 H new ATOM 0 HA GLU A 73 3.978 -3.058 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.978 -5.421 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.285 -4.882 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.294 -4.252 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.378 -2.764 0.619 1.00 0.00 H new ATOM 1094 N LEU A 74 3.600 -3.030 -1.789 1.00 0.00 N ATOM 1095 CA LEU A 74 3.620 -2.163 -2.971 1.00 0.00 C ATOM 1096 C LEU A 74 2.783 -0.905 -2.720 1.00 0.00 C ATOM 1097 O LEU A 74 3.264 0.222 -2.864 1.00 0.00 O ATOM 1098 CB LEU A 74 3.065 -2.919 -4.192 1.00 0.00 C ATOM 1099 CG LEU A 74 4.130 -3.000 -5.291 1.00 0.00 C ATOM 1100 CD1 LEU A 74 3.903 -4.259 -6.130 1.00 0.00 C ATOM 1101 CD2 LEU A 74 4.028 -1.767 -6.191 1.00 0.00 C ATOM 0 H LEU A 74 3.241 -3.970 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 74 4.651 -1.871 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.757 -3.923 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.178 -2.411 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 74 5.119 -3.039 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.660 -4.317 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.973 -5.139 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.914 -4.219 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.785 -1.824 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.038 -1.730 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.188 -0.868 -5.596 1.00 0.00 H new ATOM 1113 N LEU A 75 1.525 -1.118 -2.334 1.00 0.00 N ATOM 1114 CA LEU A 75 0.615 -0.007 -2.052 1.00 0.00 C ATOM 1115 C LEU A 75 1.194 0.908 -0.969 1.00 0.00 C ATOM 1116 O LEU A 75 1.197 2.124 -1.112 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.745 -0.558 -1.581 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.720 0.583 -1.239 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.568 0.921 -2.462 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.637 0.136 -0.098 1.00 0.00 C ATOM 0 H LEU A 75 1.114 -2.043 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 75 0.484 0.572 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.176 -1.186 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.600 -1.191 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.154 1.464 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.257 1.729 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.919 1.234 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.135 0.041 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.330 0.941 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.199 -0.745 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.036 -0.106 0.778 1.00 0.00 H new ATOM 1132 N ASP A 76 1.652 0.310 0.121 1.00 0.00 N ATOM 1133 CA ASP A 76 2.198 1.087 1.236 1.00 0.00 C ATOM 1134 C ASP A 76 3.401 1.934 0.817 1.00 0.00 C ATOM 1135 O ASP A 76 3.725 2.926 1.470 1.00 0.00 O ATOM 1136 CB ASP A 76 2.621 0.157 2.374 1.00 0.00 C ATOM 1137 CG ASP A 76 2.618 0.926 3.690 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.562 1.402 4.072 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.672 1.028 4.296 1.00 0.00 O ATOM 0 H ASP A 76 1.659 -0.700 0.262 1.00 0.00 H new ATOM 0 HA ASP A 76 1.406 1.758 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.940 -0.692 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.615 -0.245 2.178 1.00 0.00 H new ATOM 1144 N LEU A 77 4.069 1.535 -0.260 1.00 0.00 N ATOM 1145 CA LEU A 77 5.242 2.279 -0.719 1.00 0.00 C ATOM 1146 C LEU A 77 4.839 3.528 -1.498 1.00 0.00 C ATOM 1147 O LEU A 77 5.093 4.655 -1.070 1.00 0.00 O ATOM 1148 CB LEU A 77 6.120 1.405 -1.622 1.00 0.00 C ATOM 1149 CG LEU A 77 7.600 1.779 -1.451 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.816 3.269 -1.747 1.00 0.00 C ATOM 1151 CD2 LEU A 77 8.042 1.474 -0.019 1.00 0.00 C ATOM 0 H LEU A 77 3.828 0.719 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 77 5.800 2.573 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.973 0.353 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.824 1.533 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 77 8.193 1.192 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.870 3.516 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.513 3.484 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.218 3.867 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.092 1.739 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.438 2.054 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.911 0.411 0.184 1.00 0.00 H new ATOM 1163 N ILE A 78 4.224 3.314 -2.660 1.00 0.00 N ATOM 1164 CA ILE A 78 3.801 4.425 -3.523 1.00 0.00 C ATOM 1165 C ILE A 78 2.973 5.460 -2.747 1.00 0.00 C ATOM 1166 O ILE A 78 3.095 6.665 -2.973 1.00 0.00 O ATOM 1167 CB ILE A 78 2.972 3.888 -4.699 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.808 2.868 -5.486 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.572 5.037 -5.632 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.912 1.714 -5.943 1.00 0.00 C ATOM 0 H ILE A 78 4.007 2.388 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 78 4.700 4.916 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 78 2.072 3.412 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.268 3.348 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.618 2.488 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.985 4.644 -6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.978 5.764 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.469 5.520 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.506 0.991 -6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.473 1.227 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.118 2.101 -6.581 1.00 0.00 H new ATOM 1182 N ASN A 79 2.127 4.978 -1.847 1.00 0.00 N ATOM 1183 CA ASN A 79 1.278 5.869 -1.057 1.00 0.00 C ATOM 1184 C ASN A 79 2.130 6.804 -0.203 1.00 0.00 C ATOM 1185 O ASN A 79 1.856 8.000 -0.105 1.00 0.00 O ATOM 1186 CB ASN A 79 0.354 5.055 -0.143 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.038 5.679 -0.116 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.215 6.845 -0.472 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.049 4.958 0.284 1.00 0.00 N ATOM 0 H ASN A 79 2.008 3.985 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 79 0.677 6.461 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.293 4.026 -0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.765 5.021 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.986 5.360 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.902 3.993 0.579 1.00 0.00 H new ATOM 1196 N GLY A 80 3.165 6.242 0.415 1.00 0.00 N ATOM 1197 CA GLY A 80 4.054 7.032 1.263 1.00 0.00 C ATOM 1198 C GLY A 80 4.733 8.136 0.461 1.00 0.00 C ATOM 1199 O GLY A 80 4.972 9.234 0.964 1.00 0.00 O ATOM 0 H GLY A 80 3.408 5.254 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.486 7.470 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.809 6.384 1.708 1.00 0.00 H new ATOM 1203 N ALA A 81 5.045 7.831 -0.796 1.00 0.00 N ATOM 1204 CA ALA A 81 5.699 8.804 -1.666 1.00 0.00 C ATOM 1205 C ALA A 81 4.801 10.018 -1.882 1.00 0.00 C ATOM 1206 O ALA A 81 5.251 11.162 -1.818 1.00 0.00 O ATOM 1207 CB ALA A 81 6.024 8.177 -3.022 1.00 0.00 C ATOM 0 H ALA A 81 4.858 6.928 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 81 6.623 9.119 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.511 8.917 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.690 7.326 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.103 7.841 -3.497 1.00 0.00 H new ATOM 1213 N LEU A 82 3.524 9.754 -2.142 1.00 0.00 N ATOM 1214 CA LEU A 82 2.564 10.832 -2.371 1.00 0.00 C ATOM 1215 C LEU A 82 2.379 11.666 -1.106 1.00 0.00 C ATOM 1216 O LEU A 82 2.120 12.867 -1.172 1.00 0.00 O ATOM 1217 CB LEU A 82 1.209 10.262 -2.794 1.00 0.00 C ATOM 1218 CG LEU A 82 1.243 9.923 -4.286 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.232 8.814 -4.581 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.883 11.169 -5.098 1.00 0.00 C ATOM 0 H LEU A 82 3.132 8.814 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 82 2.957 11.465 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.980 9.369 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.419 10.985 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 82 2.243 9.585 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.256 8.573 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.486 7.926 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.768 9.151 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.907 10.930 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.117 11.506 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.602 11.960 -4.888 1.00 0.00 H new ATOM 1232 N ALA A 83 2.515 11.016 0.047 1.00 0.00 N ATOM 1233 CA ALA A 83 2.360 11.711 1.324 1.00 0.00 C ATOM 1234 C ALA A 83 3.414 12.803 1.464 1.00 0.00 C ATOM 1235 O ALA A 83 3.123 13.916 1.903 1.00 0.00 O ATOM 1236 CB ALA A 83 2.500 10.730 2.489 1.00 0.00 C ATOM 0 H ALA A 83 2.729 10.022 0.125 1.00 0.00 H new ATOM 0 HA ALA A 83 1.366 12.158 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.382 11.265 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.733 9.960 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.485 10.265 2.457 1.00 0.00 H new ATOM 1242 N GLU A 84 4.644 12.472 1.083 1.00 0.00 N ATOM 1243 CA GLU A 84 5.741 13.432 1.165 1.00 0.00 C ATOM 1244 C GLU A 84 6.010 14.049 -0.204 1.00 0.00 C ATOM 1245 O GLU A 84 7.146 14.384 -0.539 1.00 0.00 O ATOM 1246 CB GLU A 84 7.015 12.747 1.662 1.00 0.00 C ATOM 1247 CG GLU A 84 7.024 12.730 3.192 1.00 0.00 C ATOM 1248 CD GLU A 84 8.198 11.892 3.686 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.168 10.689 3.484 1.00 0.00 O ATOM 1250 OE2 GLU A 84 9.110 12.466 4.257 1.00 0.00 O ATOM 0 H GLU A 84 4.905 11.556 0.718 1.00 0.00 H new ATOM 0 HA GLU A 84 5.453 14.215 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.067 11.729 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.893 13.274 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.102 13.747 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.087 12.319 3.567 1.00 0.00 H new ATOM 1257 N ALA A 85 4.948 14.194 -0.994 1.00 0.00 N ATOM 1258 CA ALA A 85 5.076 14.773 -2.329 1.00 0.00 C ATOM 1259 C ALA A 85 4.367 16.122 -2.393 1.00 0.00 C ATOM 1260 O ALA A 85 4.916 17.105 -2.891 1.00 0.00 O ATOM 1261 CB ALA A 85 4.469 13.840 -3.377 1.00 0.00 C ATOM 0 H ALA A 85 3.999 13.922 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 85 6.137 14.910 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.573 14.287 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.988 12.882 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.412 13.685 -3.158 1.00 0.00 H new ATOM 1267 N ALA A 86 3.139 16.156 -1.882 1.00 0.00 N ATOM 1268 CA ALA A 86 2.357 17.389 -1.884 1.00 0.00 C ATOM 1269 C ALA A 86 1.149 17.255 -0.963 1.00 0.00 C ATOM 1270 O ALA A 86 0.210 16.575 -1.346 1.00 0.00 O ATOM 1271 CB ALA A 86 1.873 17.715 -3.298 1.00 0.00 C ATOM 1272 OXT ALA A 86 1.179 17.833 0.110 1.00 0.00 O ATOM 0 H ALA A 86 2.668 15.353 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 86 2.999 18.194 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.292 18.637 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.732 17.840 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.249 16.900 -3.666 1.00 0.00 H new