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 180:sc= -0.452 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -95:sc= -5.56! USER MOD Single : A 40 TYR OH : rot 97:sc= -0.781 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -130:sc= -0.869 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 79 ASN : amide:sc= -0.863 X(o=-0.86,f=-0.99!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -5.478 9.737 -0.032 1.00 0.00 N ATOM 45 CA LEU A 4 -4.552 9.655 -1.158 1.00 0.00 C ATOM 46 C LEU A 4 -4.749 8.342 -1.911 1.00 0.00 C ATOM 47 O LEU A 4 -5.294 8.319 -3.015 1.00 0.00 O ATOM 48 CB LEU A 4 -3.104 9.745 -0.670 1.00 0.00 C ATOM 49 CG LEU A 4 -2.766 11.200 -0.339 1.00 0.00 C ATOM 50 CD1 LEU A 4 -3.394 11.579 1.004 1.00 0.00 C ATOM 51 CD2 LEU A 4 -1.248 11.362 -0.254 1.00 0.00 C ATOM 0 HA LEU A 4 -4.757 10.491 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.967 9.119 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.427 9.369 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.160 11.851 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.153 12.616 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.476 11.463 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.001 10.929 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.005 12.398 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.856 10.711 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.799 11.093 -1.210 1.00 0.00 H new ATOM 63 N LEU A 5 -4.302 7.247 -1.300 1.00 0.00 N ATOM 64 CA LEU A 5 -4.440 5.931 -1.921 1.00 0.00 C ATOM 65 C LEU A 5 -5.001 4.930 -0.912 1.00 0.00 C ATOM 66 O LEU A 5 -4.758 5.036 0.290 1.00 0.00 O ATOM 67 CB LEU A 5 -3.077 5.437 -2.434 1.00 0.00 C ATOM 68 CG LEU A 5 -3.209 4.946 -3.879 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.474 6.136 -4.804 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.911 4.254 -4.305 1.00 0.00 C ATOM 0 H LEU A 5 -3.847 7.243 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.127 6.016 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.345 6.243 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.710 4.630 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.038 4.242 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.568 5.784 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.398 6.631 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.646 6.841 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.005 3.905 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.083 4.959 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.719 3.404 -3.649 1.00 0.00 H new ATOM 82 N THR A 6 -5.762 3.964 -1.413 1.00 0.00 N ATOM 83 CA THR A 6 -6.360 2.953 -0.543 1.00 0.00 C ATOM 84 C THR A 6 -6.096 1.550 -1.086 1.00 0.00 C ATOM 85 O THR A 6 -5.631 1.382 -2.215 1.00 0.00 O ATOM 86 CB THR A 6 -7.874 3.179 -0.434 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.467 2.099 0.273 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.488 3.271 -1.832 1.00 0.00 C ATOM 0 H THR A 6 -5.979 3.858 -2.404 1.00 0.00 H new ATOM 0 HA THR A 6 -5.906 3.042 0.444 1.00 0.00 H new ATOM 0 HB THR A 6 -8.058 4.110 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.433 2.245 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.563 3.431 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.038 4.104 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.301 2.344 -2.373 1.00 0.00 H new ATOM 96 N THR A 7 -6.396 0.543 -0.266 1.00 0.00 N ATOM 97 CA THR A 7 -6.195 -0.847 -0.668 1.00 0.00 C ATOM 98 C THR A 7 -7.010 -1.162 -1.916 1.00 0.00 C ATOM 99 O THR A 7 -6.517 -1.781 -2.858 1.00 0.00 O ATOM 100 CB THR A 7 -6.616 -1.794 0.456 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.007 -1.381 1.672 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.170 -3.212 0.118 1.00 0.00 C ATOM 0 H THR A 7 -6.776 0.663 0.673 1.00 0.00 H new ATOM 0 HA THR A 7 -5.135 -0.987 -0.882 1.00 0.00 H new ATOM 0 HB THR A 7 -7.700 -1.772 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.277 -1.985 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.470 -3.888 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.635 -3.527 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.086 -3.236 0.009 1.00 0.00 H new ATOM 110 N ASP A 8 -8.263 -0.709 -1.922 1.00 0.00 N ATOM 111 CA ASP A 8 -9.141 -0.929 -3.074 1.00 0.00 C ATOM 112 C ASP A 8 -8.484 -0.392 -4.346 1.00 0.00 C ATOM 113 O ASP A 8 -8.697 -0.912 -5.442 1.00 0.00 O ATOM 114 CB ASP A 8 -10.482 -0.222 -2.871 1.00 0.00 C ATOM 115 CG ASP A 8 -11.110 -0.686 -1.562 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.764 -1.716 -1.575 1.00 0.00 O ATOM 117 OD2 ASP A 8 -10.927 -0.006 -0.566 1.00 0.00 O ATOM 0 H ASP A 8 -8.691 -0.193 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.310 -2.001 -3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.336 0.858 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.150 -0.440 -3.704 1.00 0.00 H new ATOM 122 N ASP A 9 -7.671 0.651 -4.178 1.00 0.00 N ATOM 123 CA ASP A 9 -6.969 1.254 -5.304 1.00 0.00 C ATOM 124 C ASP A 9 -5.884 0.310 -5.813 1.00 0.00 C ATOM 125 O ASP A 9 -5.688 0.164 -7.020 1.00 0.00 O ATOM 126 CB ASP A 9 -6.320 2.576 -4.890 1.00 0.00 C ATOM 127 CG ASP A 9 -5.828 3.312 -6.132 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.856 2.862 -6.717 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.430 4.313 -6.481 1.00 0.00 O ATOM 0 H ASP A 9 -7.485 1.092 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.697 1.441 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.038 3.193 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.488 2.388 -4.212 1.00 0.00 H new ATOM 134 N LEU A 10 -5.176 -0.334 -4.880 1.00 0.00 N ATOM 135 CA LEU A 10 -4.111 -1.266 -5.258 1.00 0.00 C ATOM 136 C LEU A 10 -4.678 -2.375 -6.156 1.00 0.00 C ATOM 137 O LEU A 10 -4.025 -2.839 -7.090 1.00 0.00 O ATOM 138 CB LEU A 10 -3.411 -1.847 -3.991 1.00 0.00 C ATOM 139 CG LEU A 10 -4.000 -3.206 -3.552 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.320 -4.329 -4.338 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.757 -3.424 -2.057 1.00 0.00 C ATOM 0 H LEU A 10 -5.317 -0.230 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.352 -0.729 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.346 -1.966 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.503 -1.134 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.072 -3.210 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.733 -5.290 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.493 -4.184 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.248 -4.315 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.176 -4.385 -1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.685 -3.417 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.237 -2.626 -1.490 1.00 0.00 H new ATOM 153 N ARG A 11 -5.905 -2.785 -5.847 1.00 0.00 N ATOM 154 CA ARG A 11 -6.569 -3.835 -6.615 1.00 0.00 C ATOM 155 C ARG A 11 -6.879 -3.349 -8.027 1.00 0.00 C ATOM 156 O ARG A 11 -6.590 -4.028 -9.010 1.00 0.00 O ATOM 157 CB ARG A 11 -7.877 -4.247 -5.933 1.00 0.00 C ATOM 158 CG ARG A 11 -8.089 -5.754 -6.089 1.00 0.00 C ATOM 159 CD ARG A 11 -9.549 -6.099 -5.793 1.00 0.00 C ATOM 160 NE ARG A 11 -10.446 -5.279 -6.603 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.021 -5.768 -7.698 1.00 0.00 C ATOM 162 NH1 ARG A 11 -11.984 -6.644 -7.593 1.00 0.00 N ATOM 163 NH2 ARG A 11 -10.625 -5.373 -8.877 1.00 0.00 N ATOM 0 H ARG A 11 -6.457 -2.410 -5.076 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.897 -4.692 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.846 -3.982 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.714 -3.705 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.829 -6.065 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.431 -6.296 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.728 -7.154 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.758 -5.940 -4.735 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.634 -4.316 -6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.295 -6.953 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.426 -7.020 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.873 -4.688 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.067 -5.749 -9.716 1.00 0.00 H new ATOM 177 N ARG A 12 -7.481 -2.166 -8.109 1.00 0.00 N ATOM 178 CA ARG A 12 -7.843 -1.582 -9.401 1.00 0.00 C ATOM 179 C ARG A 12 -6.618 -1.439 -10.307 1.00 0.00 C ATOM 180 O ARG A 12 -6.733 -1.457 -11.531 1.00 0.00 O ATOM 181 CB ARG A 12 -8.479 -0.203 -9.202 1.00 0.00 C ATOM 182 CG ARG A 12 -10.002 -0.344 -9.089 1.00 0.00 C ATOM 183 CD ARG A 12 -10.658 0.063 -10.411 1.00 0.00 C ATOM 184 NE ARG A 12 -10.674 1.517 -10.551 1.00 0.00 N ATOM 185 CZ ARG A 12 -11.326 2.101 -11.552 1.00 0.00 C ATOM 186 NH1 ARG A 12 -12.608 1.911 -11.695 1.00 0.00 N ATOM 187 NH2 ARG A 12 -10.682 2.865 -12.393 1.00 0.00 N ATOM 0 H ARG A 12 -7.728 -1.594 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.558 -2.254 -9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.080 0.265 -8.302 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.226 0.448 -10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.264 -1.373 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.376 0.282 -8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.115 -0.382 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.677 -0.323 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.178 2.093 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.111 1.314 -11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.107 2.359 -12.463 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.679 3.014 -12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.182 3.313 -13.161 1.00 0.00 H new ATOM 201 N ALA A 13 -5.447 -1.291 -9.693 1.00 0.00 N ATOM 202 CA ALA A 13 -4.212 -1.141 -10.461 1.00 0.00 C ATOM 203 C ALA A 13 -3.690 -2.501 -10.915 1.00 0.00 C ATOM 204 O ALA A 13 -3.071 -2.623 -11.972 1.00 0.00 O ATOM 205 CB ALA A 13 -3.138 -0.453 -9.617 1.00 0.00 C ATOM 0 H ALA A 13 -5.326 -1.272 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.436 -0.531 -11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.225 -0.349 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.489 0.534 -9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.933 -1.052 -8.730 1.00 0.00 H new ATOM 211 N LEU A 14 -3.945 -3.521 -10.103 1.00 0.00 N ATOM 212 CA LEU A 14 -3.493 -4.874 -10.427 1.00 0.00 C ATOM 213 C LEU A 14 -4.317 -5.467 -11.570 1.00 0.00 C ATOM 214 O LEU A 14 -3.843 -6.335 -12.304 1.00 0.00 O ATOM 215 CB LEU A 14 -3.614 -5.781 -9.199 1.00 0.00 C ATOM 216 CG LEU A 14 -2.304 -5.748 -8.408 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.606 -5.837 -6.911 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.429 -6.934 -8.822 1.00 0.00 C ATOM 0 H LEU A 14 -4.457 -3.441 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.450 -4.812 -10.737 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.440 -5.450 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.839 -6.802 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.779 -4.816 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.672 -5.813 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.229 -4.993 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.132 -6.768 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.496 -6.912 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.956 -7.865 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.211 -6.871 -9.888 1.00 0.00 H new ATOM 230 N VAL A 15 -5.554 -4.995 -11.714 1.00 0.00 N ATOM 231 CA VAL A 15 -6.430 -5.495 -12.772 1.00 0.00 C ATOM 232 C VAL A 15 -6.262 -4.663 -14.041 1.00 0.00 C ATOM 233 O VAL A 15 -6.349 -5.181 -15.155 1.00 0.00 O ATOM 234 CB VAL A 15 -7.894 -5.438 -12.328 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.773 -6.142 -13.365 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.046 -6.140 -10.975 1.00 0.00 C ATOM 0 H VAL A 15 -5.968 -4.277 -11.120 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.154 -6.529 -12.976 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.202 -4.397 -12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.815 -6.100 -13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.668 -5.645 -14.329 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.463 -7.183 -13.458 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.088 -6.099 -10.659 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.735 -7.181 -11.068 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.422 -5.640 -10.234 1.00 0.00 H new ATOM 246 N GLU A 16 -6.023 -3.366 -13.862 1.00 0.00 N ATOM 247 CA GLU A 16 -5.847 -2.469 -15.002 1.00 0.00 C ATOM 248 C GLU A 16 -4.648 -2.898 -15.842 1.00 0.00 C ATOM 249 O GLU A 16 -4.626 -2.708 -17.058 1.00 0.00 O ATOM 250 CB GLU A 16 -5.632 -1.030 -14.527 1.00 0.00 C ATOM 251 CG GLU A 16 -6.989 -0.353 -14.316 1.00 0.00 C ATOM 252 CD GLU A 16 -6.804 0.913 -13.487 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.877 1.654 -13.771 1.00 0.00 O ATOM 254 OE2 GLU A 16 -7.593 1.123 -12.580 1.00 0.00 O ATOM 0 H GLU A 16 -5.947 -2.916 -12.950 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.752 -2.520 -15.608 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.062 -1.024 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.048 -0.477 -15.262 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.438 -0.108 -15.278 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.672 -1.035 -13.810 1.00 0.00 H new ATOM 261 N CYS A 17 -3.650 -3.478 -15.182 1.00 0.00 N ATOM 262 CA CYS A 17 -2.449 -3.930 -15.882 1.00 0.00 C ATOM 263 C CYS A 17 -2.713 -5.252 -16.596 1.00 0.00 C ATOM 264 O CYS A 17 -2.295 -5.452 -17.736 1.00 0.00 O ATOM 265 CB CYS A 17 -1.293 -4.120 -14.899 1.00 0.00 C ATOM 266 SG CYS A 17 -0.456 -2.536 -14.640 1.00 0.00 S ATOM 0 H CYS A 17 -3.646 -3.645 -14.176 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.182 -3.167 -16.613 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.667 -4.505 -13.951 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.589 -4.857 -15.287 1.00 0.00 H new ATOM 0 HG CYS A 17 0.565 -2.449 -15.440 1.00 0.00 H new ATOM 272 N ALA A 18 -3.411 -6.154 -15.910 1.00 0.00 N ATOM 273 CA ALA A 18 -3.726 -7.458 -16.487 1.00 0.00 C ATOM 274 C ALA A 18 -5.047 -7.978 -15.931 1.00 0.00 C ATOM 275 O ALA A 18 -5.081 -8.659 -14.906 1.00 0.00 O ATOM 276 CB ALA A 18 -2.617 -8.464 -16.171 1.00 0.00 C ATOM 0 H ALA A 18 -3.766 -6.009 -14.965 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.809 -7.340 -17.567 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.867 -9.431 -16.608 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.675 -8.110 -16.589 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.518 -8.569 -15.091 1.00 0.00 H new ATOM 400 N ASP A 29 -9.830 -9.401 2.955 1.00 0.00 N ATOM 401 CA ASP A 29 -9.218 -10.717 3.112 1.00 0.00 C ATOM 402 C ASP A 29 -8.516 -11.136 1.820 1.00 0.00 C ATOM 403 O ASP A 29 -8.827 -12.169 1.226 1.00 0.00 O ATOM 404 CB ASP A 29 -10.281 -11.758 3.478 1.00 0.00 C ATOM 405 CG ASP A 29 -9.640 -12.874 4.296 1.00 0.00 C ATOM 406 OD1 ASP A 29 -9.073 -12.570 5.332 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.727 -14.016 3.874 1.00 0.00 O ATOM 0 HA ASP A 29 -8.483 -10.659 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.083 -11.289 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.730 -12.168 2.573 1.00 0.00 H new ATOM 412 N PHE A 30 -7.558 -10.317 1.392 1.00 0.00 N ATOM 413 CA PHE A 30 -6.815 -10.607 0.169 1.00 0.00 C ATOM 414 C PHE A 30 -5.422 -9.982 0.222 1.00 0.00 C ATOM 415 O PHE A 30 -4.857 -9.606 -0.805 1.00 0.00 O ATOM 416 CB PHE A 30 -7.579 -10.085 -1.061 1.00 0.00 C ATOM 417 CG PHE A 30 -7.582 -8.564 -1.110 1.00 0.00 C ATOM 418 CD1 PHE A 30 -8.144 -7.818 -0.063 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.028 -7.901 -2.214 1.00 0.00 C ATOM 420 CE1 PHE A 30 -8.151 -6.420 -0.123 1.00 0.00 C ATOM 421 CE2 PHE A 30 -7.035 -6.504 -2.272 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.597 -5.764 -1.227 1.00 0.00 C ATOM 0 H PHE A 30 -7.281 -9.458 1.867 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.708 -11.689 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.122 -10.479 -1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.605 -10.452 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.572 -8.323 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.594 -8.471 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.584 -5.847 0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.606 -5.997 -3.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.603 -4.685 -1.272 1.00 0.00 H new ATOM 432 N LEU A 31 -4.884 -9.862 1.430 1.00 0.00 N ATOM 433 CA LEU A 31 -3.566 -9.264 1.598 1.00 0.00 C ATOM 434 C LEU A 31 -2.709 -10.085 2.556 1.00 0.00 C ATOM 435 O LEU A 31 -2.439 -9.680 3.689 1.00 0.00 O ATOM 436 CB LEU A 31 -3.698 -7.834 2.118 1.00 0.00 C ATOM 437 CG LEU A 31 -4.579 -7.038 1.154 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.976 -5.705 1.792 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.807 -6.781 -0.144 1.00 0.00 C ATOM 0 H LEU A 31 -5.332 -10.166 2.295 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.076 -9.250 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.136 -7.834 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.715 -7.370 2.201 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.482 -7.608 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.603 -5.143 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.529 -5.893 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.079 -5.129 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.433 -6.214 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.903 -6.213 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.535 -7.733 -0.600 1.00 0.00 H new ATOM 451 N ASP A 32 -2.277 -11.241 2.072 1.00 0.00 N ATOM 452 CA ASP A 32 -1.433 -12.135 2.860 1.00 0.00 C ATOM 453 C ASP A 32 -0.441 -12.835 1.939 1.00 0.00 C ATOM 454 O ASP A 32 0.764 -12.860 2.194 1.00 0.00 O ATOM 455 CB ASP A 32 -2.281 -13.188 3.578 1.00 0.00 C ATOM 456 CG ASP A 32 -2.819 -12.607 4.881 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.044 -12.483 5.815 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.997 -12.293 4.926 1.00 0.00 O ATOM 0 H ASP A 32 -2.496 -11.584 1.137 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.902 -11.544 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.107 -13.502 2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.681 -14.075 3.783 1.00 0.00 H new ATOM 463 N LEU A 33 -0.970 -13.388 0.853 1.00 0.00 N ATOM 464 CA LEU A 33 -0.148 -14.080 -0.133 1.00 0.00 C ATOM 465 C LEU A 33 -0.855 -14.051 -1.486 1.00 0.00 C ATOM 466 O LEU A 33 -1.050 -15.081 -2.132 1.00 0.00 O ATOM 467 CB LEU A 33 0.097 -15.531 0.289 1.00 0.00 C ATOM 468 CG LEU A 33 -1.243 -16.222 0.551 1.00 0.00 C ATOM 469 CD1 LEU A 33 -1.158 -17.686 0.115 1.00 0.00 C ATOM 470 CD2 LEU A 33 -1.567 -16.156 2.046 1.00 0.00 C ATOM 0 H LEU A 33 -1.966 -13.370 0.633 1.00 0.00 H new ATOM 0 HA LEU A 33 0.815 -13.575 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.644 -16.060 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.714 -15.560 1.187 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.027 -15.719 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.113 -18.177 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.926 -17.736 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.374 -18.189 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.521 -16.648 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.782 -16.659 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.628 -15.114 2.359 1.00 0.00 H new ATOM 482 N ARG A 34 -1.255 -12.848 -1.895 1.00 0.00 N ATOM 483 CA ARG A 34 -1.960 -12.673 -3.161 1.00 0.00 C ATOM 484 C ARG A 34 -0.993 -12.733 -4.341 1.00 0.00 C ATOM 485 O ARG A 34 -1.258 -13.400 -5.339 1.00 0.00 O ATOM 486 CB ARG A 34 -2.693 -11.329 -3.180 1.00 0.00 C ATOM 487 CG ARG A 34 -3.712 -11.314 -4.323 1.00 0.00 C ATOM 488 CD ARG A 34 -5.098 -11.682 -3.785 1.00 0.00 C ATOM 489 NE ARG A 34 -5.805 -12.542 -4.729 1.00 0.00 N ATOM 490 CZ ARG A 34 -6.551 -13.558 -4.305 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.078 -14.388 -3.418 1.00 0.00 N ATOM 492 NH2 ARG A 34 -7.757 -13.722 -4.776 1.00 0.00 N ATOM 0 H ARG A 34 -1.104 -11.986 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.681 -13.485 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.198 -11.165 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.978 -10.516 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.741 -10.327 -4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.413 -12.019 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.998 -12.191 -2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.677 -10.776 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.726 -12.361 -5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.136 -14.258 -3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.650 -15.167 -3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.127 -13.071 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.330 -14.501 -4.451 1.00 0.00 H new ATOM 506 N PHE A 35 0.130 -12.027 -4.220 1.00 0.00 N ATOM 507 CA PHE A 35 1.129 -12.005 -5.294 1.00 0.00 C ATOM 508 C PHE A 35 1.570 -13.422 -5.675 1.00 0.00 C ATOM 509 O PHE A 35 2.049 -13.655 -6.784 1.00 0.00 O ATOM 510 CB PHE A 35 2.362 -11.200 -4.861 1.00 0.00 C ATOM 511 CG PHE A 35 2.201 -9.744 -5.255 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.001 -9.066 -4.992 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.261 -9.067 -5.875 1.00 0.00 C ATOM 514 CE1 PHE A 35 0.862 -7.720 -5.349 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.121 -7.720 -6.228 1.00 0.00 C ATOM 516 CZ PHE A 35 1.924 -7.048 -5.966 1.00 0.00 C ATOM 0 H PHE A 35 0.372 -11.469 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 35 0.665 -11.535 -6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.497 -11.280 -3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.257 -11.613 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.183 -9.584 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.186 -9.585 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.063 -7.200 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.939 -7.199 -6.703 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.818 -6.009 -6.240 1.00 0.00 H new ATOM 526 N GLU A 36 1.409 -14.363 -4.748 1.00 0.00 N ATOM 527 CA GLU A 36 1.799 -15.747 -5.009 1.00 0.00 C ATOM 528 C GLU A 36 0.584 -16.603 -5.366 1.00 0.00 C ATOM 529 O GLU A 36 0.699 -17.597 -6.082 1.00 0.00 O ATOM 530 CB GLU A 36 2.488 -16.345 -3.781 1.00 0.00 C ATOM 531 CG GLU A 36 3.990 -16.060 -3.851 1.00 0.00 C ATOM 532 CD GLU A 36 4.641 -17.002 -4.856 1.00 0.00 C ATOM 533 OE1 GLU A 36 4.983 -18.106 -4.467 1.00 0.00 O ATOM 534 OE2 GLU A 36 4.788 -16.605 -6.000 1.00 0.00 O ATOM 0 H GLU A 36 1.017 -14.197 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 36 2.489 -15.743 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.068 -15.918 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.312 -17.420 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.161 -15.024 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.442 -16.192 -2.868 1.00 0.00 H new ATOM 541 N ASP A 37 -0.582 -16.211 -4.855 1.00 0.00 N ATOM 542 CA ASP A 37 -1.811 -16.958 -5.122 1.00 0.00 C ATOM 543 C ASP A 37 -2.187 -16.867 -6.598 1.00 0.00 C ATOM 544 O ASP A 37 -2.177 -17.866 -7.318 1.00 0.00 O ATOM 545 CB ASP A 37 -2.966 -16.411 -4.281 1.00 0.00 C ATOM 546 CG ASP A 37 -4.167 -17.343 -4.397 1.00 0.00 C ATOM 547 OD1 ASP A 37 -4.798 -17.336 -5.442 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.438 -18.051 -3.442 1.00 0.00 O ATOM 0 H ASP A 37 -0.702 -15.391 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.630 -18.000 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.660 -16.323 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.235 -15.411 -4.620 1.00 0.00 H new ATOM 553 N ILE A 38 -2.522 -15.656 -7.041 1.00 0.00 N ATOM 554 CA ILE A 38 -2.906 -15.437 -8.437 1.00 0.00 C ATOM 555 C ILE A 38 -1.785 -15.898 -9.372 1.00 0.00 C ATOM 556 O ILE A 38 -2.037 -16.386 -10.474 1.00 0.00 O ATOM 557 CB ILE A 38 -3.234 -13.943 -8.662 1.00 0.00 C ATOM 558 CG1 ILE A 38 -3.908 -13.735 -10.040 1.00 0.00 C ATOM 559 CG2 ILE A 38 -1.971 -13.076 -8.533 1.00 0.00 C ATOM 560 CD1 ILE A 38 -2.915 -13.893 -11.207 1.00 0.00 C ATOM 0 H ILE A 38 -2.536 -14.818 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.797 -16.024 -8.661 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.935 -13.629 -7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.720 -14.453 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.354 -12.741 -10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.230 -12.030 -8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.549 -13.194 -7.535 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.238 -13.388 -9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.436 -13.738 -12.152 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.117 -13.157 -11.108 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.488 -14.896 -11.188 1.00 0.00 H new ATOM 572 N GLY A 39 -0.548 -15.740 -8.914 1.00 0.00 N ATOM 573 CA GLY A 39 0.605 -16.143 -9.711 1.00 0.00 C ATOM 574 C GLY A 39 1.369 -14.927 -10.224 1.00 0.00 C ATOM 575 O GLY A 39 1.990 -14.971 -11.285 1.00 0.00 O ATOM 0 H GLY A 39 -0.319 -15.340 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.267 -16.765 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.274 -16.751 -10.553 1.00 0.00 H new ATOM 579 N TYR A 40 1.317 -13.838 -9.457 1.00 0.00 N ATOM 580 CA TYR A 40 2.013 -12.612 -9.843 1.00 0.00 C ATOM 581 C TYR A 40 3.481 -12.688 -9.422 1.00 0.00 C ATOM 582 O TYR A 40 3.887 -12.094 -8.422 1.00 0.00 O ATOM 583 CB TYR A 40 1.356 -11.386 -9.182 1.00 0.00 C ATOM 584 CG TYR A 40 0.565 -10.605 -10.208 1.00 0.00 C ATOM 585 CD1 TYR A 40 -0.549 -11.183 -10.831 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.947 -9.298 -10.534 1.00 0.00 C ATOM 587 CE1 TYR A 40 -1.277 -10.455 -11.778 1.00 0.00 C ATOM 588 CE2 TYR A 40 0.219 -8.571 -11.481 1.00 0.00 C ATOM 589 CZ TYR A 40 -0.894 -9.149 -12.104 1.00 0.00 C ATOM 590 OH TYR A 40 -1.612 -8.430 -13.038 1.00 0.00 O ATOM 0 H TYR A 40 0.807 -13.780 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 40 1.949 -12.509 -10.926 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.700 -11.707 -8.373 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.121 -10.748 -8.738 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.846 -12.191 -10.580 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.805 -8.851 -10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.135 -10.901 -12.258 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.515 -7.563 -11.732 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.249 -7.843 -12.580 1.00 0.00 H new ATOM 600 N ASP A 41 4.276 -13.423 -10.198 1.00 0.00 N ATOM 601 CA ASP A 41 5.696 -13.564 -9.899 1.00 0.00 C ATOM 602 C ASP A 41 6.376 -12.203 -9.958 1.00 0.00 C ATOM 603 O ASP A 41 5.844 -11.253 -10.525 1.00 0.00 O ATOM 604 CB ASP A 41 6.370 -14.519 -10.891 1.00 0.00 C ATOM 605 CG ASP A 41 6.176 -14.016 -12.320 1.00 0.00 C ATOM 606 OD1 ASP A 41 5.087 -14.178 -12.844 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.124 -13.480 -12.870 1.00 0.00 O ATOM 0 H ASP A 41 3.963 -13.924 -11.029 1.00 0.00 H new ATOM 0 HA ASP A 41 5.795 -13.978 -8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.434 -14.598 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.948 -15.519 -10.789 1.00 0.00 H new ATOM 612 N SER A 42 7.550 -12.120 -9.353 1.00 0.00 N ATOM 613 CA SER A 42 8.301 -10.865 -9.323 1.00 0.00 C ATOM 614 C SER A 42 8.681 -10.414 -10.732 1.00 0.00 C ATOM 615 O SER A 42 8.705 -9.221 -11.027 1.00 0.00 O ATOM 616 CB SER A 42 9.575 -11.027 -8.493 1.00 0.00 C ATOM 617 OG SER A 42 10.165 -12.287 -8.783 1.00 0.00 O ATOM 0 H SER A 42 8.005 -12.899 -8.877 1.00 0.00 H new ATOM 0 HA SER A 42 7.659 -10.109 -8.871 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.276 -10.223 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.342 -10.957 -7.430 1.00 0.00 H new ATOM 0 HG SER A 42 10.983 -12.395 -8.254 1.00 0.00 H new ATOM 623 N LEU A 43 8.991 -11.379 -11.593 1.00 0.00 N ATOM 624 CA LEU A 43 9.383 -11.063 -12.968 1.00 0.00 C ATOM 625 C LEU A 43 8.207 -10.513 -13.779 1.00 0.00 C ATOM 626 O LEU A 43 8.403 -9.873 -14.812 1.00 0.00 O ATOM 627 CB LEU A 43 9.925 -12.311 -13.668 1.00 0.00 C ATOM 628 CG LEU A 43 11.076 -12.899 -12.850 1.00 0.00 C ATOM 629 CD1 LEU A 43 11.375 -14.317 -13.338 1.00 0.00 C ATOM 630 CD2 LEU A 43 12.323 -12.028 -13.023 1.00 0.00 C ATOM 0 H LEU A 43 8.980 -12.374 -11.370 1.00 0.00 H new ATOM 0 HA LEU A 43 10.158 -10.299 -12.913 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.132 -13.050 -13.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.270 -12.057 -14.670 1.00 0.00 H new ATOM 0 HG LEU A 43 10.795 -12.927 -11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.195 -14.737 -12.756 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.488 -14.938 -13.216 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.655 -14.288 -14.391 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.143 -12.447 -12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.604 -11.999 -14.076 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.111 -11.017 -12.676 1.00 0.00 H new ATOM 642 N ALA A 44 6.986 -10.773 -13.316 1.00 0.00 N ATOM 643 CA ALA A 44 5.801 -10.301 -14.028 1.00 0.00 C ATOM 644 C ALA A 44 5.424 -8.886 -13.592 1.00 0.00 C ATOM 645 O ALA A 44 5.113 -8.030 -14.420 1.00 0.00 O ATOM 646 CB ALA A 44 4.616 -11.234 -13.768 1.00 0.00 C ATOM 0 H ALA A 44 6.793 -11.300 -12.464 1.00 0.00 H new ATOM 0 HA ALA A 44 6.038 -10.294 -15.092 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.741 -10.869 -14.305 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.861 -12.238 -14.114 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.401 -11.260 -12.700 1.00 0.00 H new ATOM 652 N LEU A 45 5.446 -8.651 -12.282 1.00 0.00 N ATOM 653 CA LEU A 45 5.095 -7.336 -11.749 1.00 0.00 C ATOM 654 C LEU A 45 6.291 -6.377 -11.747 1.00 0.00 C ATOM 655 O LEU A 45 6.193 -5.256 -11.255 1.00 0.00 O ATOM 656 CB LEU A 45 4.545 -7.476 -10.324 1.00 0.00 C ATOM 657 CG LEU A 45 5.630 -8.004 -9.371 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.201 -6.844 -8.555 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.019 -9.030 -8.412 1.00 0.00 C ATOM 0 H LEU A 45 5.700 -9.344 -11.578 1.00 0.00 H new ATOM 0 HA LEU A 45 4.331 -6.914 -12.402 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.184 -6.510 -9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.692 -8.155 -10.323 1.00 0.00 H new ATOM 0 HG LEU A 45 6.422 -8.472 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.970 -7.218 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.637 -6.106 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.403 -6.380 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.790 -9.402 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.226 -8.558 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.605 -9.861 -8.983 1.00 0.00 H new ATOM 671 N MET A 46 7.417 -6.820 -12.299 1.00 0.00 N ATOM 672 CA MET A 46 8.606 -5.974 -12.346 1.00 0.00 C ATOM 673 C MET A 46 8.425 -4.860 -13.372 1.00 0.00 C ATOM 674 O MET A 46 8.427 -3.676 -13.033 1.00 0.00 O ATOM 675 CB MET A 46 9.840 -6.798 -12.721 1.00 0.00 C ATOM 676 CG MET A 46 11.096 -5.939 -12.565 1.00 0.00 C ATOM 677 SD MET A 46 12.422 -6.616 -13.593 1.00 0.00 S ATOM 678 CE MET A 46 13.808 -6.044 -12.580 1.00 0.00 C ATOM 0 H MET A 46 7.532 -7.745 -12.714 1.00 0.00 H new ATOM 0 HA MET A 46 8.748 -5.541 -11.356 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.909 -7.680 -12.084 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.755 -7.153 -13.748 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.884 -4.910 -12.857 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.407 -5.917 -11.520 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.747 -6.357 -13.037 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.784 -4.956 -12.511 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.730 -6.473 -11.581 1.00 0.00 H new ATOM 688 N GLU A 47 8.273 -5.253 -14.632 1.00 0.00 N ATOM 689 CA GLU A 47 8.096 -4.282 -15.708 1.00 0.00 C ATOM 690 C GLU A 47 6.712 -3.639 -15.624 1.00 0.00 C ATOM 691 O GLU A 47 6.546 -2.448 -15.888 1.00 0.00 O ATOM 692 CB GLU A 47 8.259 -4.966 -17.074 1.00 0.00 C ATOM 693 CG GLU A 47 9.143 -4.106 -17.983 1.00 0.00 C ATOM 694 CD GLU A 47 10.598 -4.226 -17.539 1.00 0.00 C ATOM 695 OE1 GLU A 47 11.091 -5.341 -17.486 1.00 0.00 O ATOM 696 OE2 GLU A 47 11.197 -3.201 -17.258 1.00 0.00 O ATOM 0 H GLU A 47 8.269 -6.228 -14.933 1.00 0.00 H new ATOM 0 HA GLU A 47 8.857 -3.509 -15.599 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.704 -5.953 -16.946 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.283 -5.114 -17.535 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.040 -4.428 -19.019 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.823 -3.065 -17.940 1.00 0.00 H new ATOM 703 N THR A 48 5.720 -4.445 -15.250 1.00 0.00 N ATOM 704 CA THR A 48 4.350 -3.951 -15.131 1.00 0.00 C ATOM 705 C THR A 48 4.270 -2.842 -14.087 1.00 0.00 C ATOM 706 O THR A 48 3.640 -1.808 -14.305 1.00 0.00 O ATOM 707 CB THR A 48 3.408 -5.085 -14.721 1.00 0.00 C ATOM 708 OG1 THR A 48 3.599 -6.194 -15.589 1.00 0.00 O ATOM 709 CG2 THR A 48 1.959 -4.606 -14.813 1.00 0.00 C ATOM 0 H THR A 48 5.837 -5.433 -15.026 1.00 0.00 H new ATOM 0 HA THR A 48 4.049 -3.558 -16.102 1.00 0.00 H new ATOM 0 HB THR A 48 3.624 -5.384 -13.695 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.328 -6.754 -15.249 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.289 -5.415 -14.521 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.814 -3.756 -14.147 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.739 -4.305 -15.838 1.00 0.00 H new ATOM 717 N ALA A 49 4.917 -3.072 -12.949 1.00 0.00 N ATOM 718 CA ALA A 49 4.917 -2.089 -11.870 1.00 0.00 C ATOM 719 C ALA A 49 5.701 -0.847 -12.280 1.00 0.00 C ATOM 720 O ALA A 49 5.386 0.268 -11.865 1.00 0.00 O ATOM 721 CB ALA A 49 5.546 -2.678 -10.606 1.00 0.00 C ATOM 0 H ALA A 49 5.444 -3.922 -12.750 1.00 0.00 H new ATOM 0 HA ALA A 49 3.882 -1.816 -11.667 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.537 -1.930 -9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.976 -3.551 -10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.574 -2.973 -10.815 1.00 0.00 H new ATOM 727 N ALA A 50 6.729 -1.051 -13.100 1.00 0.00 N ATOM 728 CA ALA A 50 7.554 0.061 -13.562 1.00 0.00 C ATOM 729 C ALA A 50 6.715 1.039 -14.378 1.00 0.00 C ATOM 730 O ALA A 50 6.930 2.250 -14.337 1.00 0.00 O ATOM 731 CB ALA A 50 8.707 -0.449 -14.428 1.00 0.00 C ATOM 0 H ALA A 50 7.008 -1.966 -13.455 1.00 0.00 H new ATOM 0 HA ALA A 50 7.958 0.568 -12.686 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.311 0.394 -14.763 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.327 -1.130 -13.845 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.306 -0.975 -15.294 1.00 0.00 H new ATOM 737 N ARG A 51 5.753 0.496 -15.118 1.00 0.00 N ATOM 738 CA ARG A 51 4.879 1.325 -15.942 1.00 0.00 C ATOM 739 C ARG A 51 3.789 1.967 -15.087 1.00 0.00 C ATOM 740 O ARG A 51 3.332 3.075 -15.367 1.00 0.00 O ATOM 741 CB ARG A 51 4.220 0.485 -17.037 1.00 0.00 C ATOM 742 CG ARG A 51 5.298 -0.080 -17.967 1.00 0.00 C ATOM 743 CD ARG A 51 4.759 -0.137 -19.397 1.00 0.00 C ATOM 744 NE ARG A 51 4.341 1.190 -19.841 1.00 0.00 N ATOM 745 CZ ARG A 51 3.570 1.343 -20.912 1.00 0.00 C ATOM 746 NH1 ARG A 51 2.451 0.681 -21.010 1.00 0.00 N ATOM 747 NH2 ARG A 51 3.933 2.157 -21.866 1.00 0.00 N ATOM 0 H ARG A 51 5.560 -0.504 -15.164 1.00 0.00 H new ATOM 0 HA ARG A 51 5.489 2.104 -16.399 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.647 -0.328 -16.591 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.518 1.095 -17.605 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.191 0.544 -17.928 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.592 -1.077 -17.638 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.527 -0.525 -20.066 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.916 -0.826 -19.447 1.00 0.00 H new ATOM 0 HE ARG A 51 4.646 2.012 -19.320 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.167 0.046 -20.264 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.859 0.799 -21.832 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.808 2.675 -21.789 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.341 2.275 -22.689 1.00 0.00 H new ATOM 761 N LEU A 52 3.379 1.255 -14.040 1.00 0.00 N ATOM 762 CA LEU A 52 2.340 1.761 -13.145 1.00 0.00 C ATOM 763 C LEU A 52 2.837 2.985 -12.379 1.00 0.00 C ATOM 764 O LEU A 52 2.054 3.857 -12.003 1.00 0.00 O ATOM 765 CB LEU A 52 1.927 0.680 -12.143 1.00 0.00 C ATOM 766 CG LEU A 52 0.747 -0.115 -12.705 1.00 0.00 C ATOM 767 CD1 LEU A 52 0.518 -1.360 -11.848 1.00 0.00 C ATOM 768 CD2 LEU A 52 -0.512 0.757 -12.685 1.00 0.00 C ATOM 0 H LEU A 52 3.745 0.336 -13.792 1.00 0.00 H new ATOM 0 HA LEU A 52 1.481 2.042 -13.754 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.766 0.014 -11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.651 1.137 -11.193 1.00 0.00 H new ATOM 0 HG LEU A 52 0.965 -0.414 -13.730 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.323 -1.927 -12.248 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.414 -1.981 -11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.299 -1.061 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.353 0.191 -13.085 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.731 1.056 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.349 1.645 -13.295 1.00 0.00 H new ATOM 780 N GLU A 53 4.149 3.040 -12.148 1.00 0.00 N ATOM 781 CA GLU A 53 4.739 4.163 -11.422 1.00 0.00 C ATOM 782 C GLU A 53 5.171 5.284 -12.374 1.00 0.00 C ATOM 783 O GLU A 53 5.973 6.143 -12.007 1.00 0.00 O ATOM 784 CB GLU A 53 5.957 3.696 -10.622 1.00 0.00 C ATOM 785 CG GLU A 53 5.509 3.232 -9.235 1.00 0.00 C ATOM 786 CD GLU A 53 5.025 1.787 -9.310 1.00 0.00 C ATOM 787 OE1 GLU A 53 5.865 0.907 -9.412 1.00 0.00 O ATOM 788 OE2 GLU A 53 3.824 1.582 -9.267 1.00 0.00 O ATOM 0 H GLU A 53 4.816 2.329 -12.449 1.00 0.00 H new ATOM 0 HA GLU A 53 3.975 4.551 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.459 2.882 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.678 4.508 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.335 3.313 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.710 3.875 -8.866 1.00 0.00 H new ATOM 795 N SER A 54 4.633 5.279 -13.595 1.00 0.00 N ATOM 796 CA SER A 54 4.979 6.309 -14.570 1.00 0.00 C ATOM 797 C SER A 54 3.985 7.463 -14.488 1.00 0.00 C ATOM 798 O SER A 54 4.359 8.633 -14.577 1.00 0.00 O ATOM 799 CB SER A 54 4.964 5.733 -15.987 1.00 0.00 C ATOM 800 OG SER A 54 5.823 6.503 -16.817 1.00 0.00 O ATOM 0 H SER A 54 3.966 4.583 -13.927 1.00 0.00 H new ATOM 0 HA SER A 54 5.981 6.672 -14.342 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.290 4.693 -15.972 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.949 5.743 -16.385 1.00 0.00 H new ATOM 0 HG SER A 54 5.817 6.135 -17.725 1.00 0.00 H new ATOM 806 N ARG A 55 2.714 7.116 -14.311 1.00 0.00 N ATOM 807 CA ARG A 55 1.660 8.129 -14.209 1.00 0.00 C ATOM 808 C ARG A 55 1.723 8.805 -12.845 1.00 0.00 C ATOM 809 O ARG A 55 1.424 9.990 -12.704 1.00 0.00 O ATOM 810 CB ARG A 55 0.261 7.512 -14.378 1.00 0.00 C ATOM 811 CG ARG A 55 0.284 6.390 -15.424 1.00 0.00 C ATOM 812 CD ARG A 55 -0.952 6.492 -16.323 1.00 0.00 C ATOM 813 NE ARG A 55 -2.171 6.279 -15.548 1.00 0.00 N ATOM 814 CZ ARG A 55 -2.545 5.058 -15.178 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.562 4.088 -16.052 1.00 0.00 N ATOM 816 NH2 ARG A 55 -2.892 4.828 -13.941 1.00 0.00 N ATOM 0 H ARG A 55 2.387 6.153 -14.235 1.00 0.00 H new ATOM 0 HA ARG A 55 1.826 8.852 -15.007 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.086 7.118 -13.423 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.448 8.283 -14.681 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.190 6.461 -16.026 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.305 5.419 -14.929 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.983 7.473 -16.797 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.889 5.753 -17.122 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.745 7.080 -15.286 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.288 4.267 -17.018 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.849 3.151 -15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.876 5.585 -13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.179 3.891 -13.658 1.00 0.00 H new ATOM 830 N TYR A 56 2.115 8.027 -11.838 1.00 0.00 N ATOM 831 CA TYR A 56 2.216 8.543 -10.479 1.00 0.00 C ATOM 832 C TYR A 56 3.535 9.291 -10.299 1.00 0.00 C ATOM 833 O TYR A 56 3.563 10.428 -9.828 1.00 0.00 O ATOM 834 CB TYR A 56 2.141 7.396 -9.468 1.00 0.00 C ATOM 835 CG TYR A 56 0.723 6.874 -9.394 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.121 6.296 -10.525 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.006 6.966 -8.193 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.192 5.815 -10.448 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.307 6.484 -8.120 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.906 5.909 -9.247 1.00 0.00 C ATOM 841 OH TYR A 56 -3.200 5.436 -9.174 1.00 0.00 O ATOM 0 H TYR A 56 2.366 7.043 -11.938 1.00 0.00 H new ATOM 0 HA TYR A 56 1.385 9.227 -10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.819 6.595 -9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.463 7.742 -8.486 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.670 6.223 -11.452 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.467 7.409 -7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.655 5.371 -11.317 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.858 6.556 -7.194 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.550 5.578 -8.269 1.00 0.00 H new ATOM 851 N GLY A 57 4.629 8.639 -10.689 1.00 0.00 N ATOM 852 CA GLY A 57 5.957 9.245 -10.579 1.00 0.00 C ATOM 853 C GLY A 57 6.254 9.675 -9.145 1.00 0.00 C ATOM 854 O GLY A 57 6.905 10.693 -8.911 1.00 0.00 O ATOM 0 H GLY A 57 4.624 7.698 -11.082 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.713 8.533 -10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.021 10.109 -11.240 1.00 0.00 H new ATOM 858 N VAL A 58 5.765 8.891 -8.189 1.00 0.00 N ATOM 859 CA VAL A 58 5.977 9.199 -6.785 1.00 0.00 C ATOM 860 C VAL A 58 7.214 8.471 -6.254 1.00 0.00 C ATOM 861 O VAL A 58 8.020 9.041 -5.519 1.00 0.00 O ATOM 862 CB VAL A 58 4.738 8.800 -5.970 1.00 0.00 C ATOM 863 CG1 VAL A 58 4.530 7.280 -6.002 1.00 0.00 C ATOM 864 CG2 VAL A 58 4.915 9.256 -4.526 1.00 0.00 C ATOM 0 H VAL A 58 5.223 8.044 -8.362 1.00 0.00 H new ATOM 0 HA VAL A 58 6.141 10.272 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 58 3.863 9.280 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.647 7.021 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.392 6.953 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.403 6.784 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.037 8.974 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.799 8.782 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.036 10.339 -4.499 1.00 0.00 H new ATOM 874 N SER A 59 7.348 7.204 -6.633 1.00 0.00 N ATOM 875 CA SER A 59 8.486 6.402 -6.188 1.00 0.00 C ATOM 876 C SER A 59 9.578 6.383 -7.254 1.00 0.00 C ATOM 877 O SER A 59 9.321 6.097 -8.424 1.00 0.00 O ATOM 878 CB SER A 59 8.047 4.967 -5.897 1.00 0.00 C ATOM 879 OG SER A 59 8.816 4.452 -4.818 1.00 0.00 O ATOM 0 H SER A 59 6.692 6.713 -7.240 1.00 0.00 H new ATOM 0 HA SER A 59 8.879 6.853 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.986 4.942 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.181 4.346 -6.783 1.00 0.00 H new ATOM 0 HG SER A 59 9.181 3.577 -5.065 1.00 0.00 H new ATOM 885 N ILE A 60 10.802 6.691 -6.834 1.00 0.00 N ATOM 886 CA ILE A 60 11.934 6.708 -7.758 1.00 0.00 C ATOM 887 C ILE A 60 12.633 5.330 -7.892 1.00 0.00 C ATOM 888 O ILE A 60 13.184 5.039 -8.954 1.00 0.00 O ATOM 889 CB ILE A 60 12.955 7.789 -7.347 1.00 0.00 C ATOM 890 CG1 ILE A 60 13.992 7.966 -8.460 1.00 0.00 C ATOM 891 CG2 ILE A 60 13.672 7.407 -6.049 1.00 0.00 C ATOM 892 CD1 ILE A 60 13.473 8.975 -9.486 1.00 0.00 C ATOM 0 H ILE A 60 11.035 6.930 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 60 11.526 6.949 -8.740 1.00 0.00 H new ATOM 0 HB ILE A 60 12.415 8.722 -7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.936 8.312 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.189 7.009 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 60 14.385 8.187 -5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.941 7.297 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 60 14.201 6.464 -6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.211 9.101 -10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.539 8.611 -9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 60 13.298 9.934 -8.997 1.00 0.00 H new ATOM 904 N PRO A 61 12.637 4.455 -6.858 1.00 0.00 N ATOM 905 CA PRO A 61 13.302 3.143 -6.977 1.00 0.00 C ATOM 906 C PRO A 61 12.427 2.100 -7.671 1.00 0.00 C ATOM 907 O PRO A 61 11.222 2.022 -7.434 1.00 0.00 O ATOM 908 CB PRO A 61 13.545 2.762 -5.523 1.00 0.00 C ATOM 909 CG PRO A 61 12.521 3.519 -4.687 1.00 0.00 C ATOM 910 CD PRO A 61 12.001 4.682 -5.539 1.00 0.00 C ATOM 0 HA PRO A 61 14.205 3.189 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.438 1.686 -5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.559 3.023 -5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.702 2.861 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.975 3.890 -3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.913 4.672 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.284 5.647 -5.117 1.00 0.00 H new ATOM 918 N ASP A 62 13.051 1.302 -8.532 1.00 0.00 N ATOM 919 CA ASP A 62 12.324 0.265 -9.260 1.00 0.00 C ATOM 920 C ASP A 62 12.531 -1.097 -8.606 1.00 0.00 C ATOM 921 O ASP A 62 11.651 -1.957 -8.639 1.00 0.00 O ATOM 922 CB ASP A 62 12.803 0.197 -10.711 1.00 0.00 C ATOM 923 CG ASP A 62 12.461 1.503 -11.420 1.00 0.00 C ATOM 924 OD1 ASP A 62 11.294 1.708 -11.714 1.00 0.00 O ATOM 925 OD2 ASP A 62 13.370 2.281 -11.659 1.00 0.00 O ATOM 0 H ASP A 62 14.048 1.351 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 62 11.264 0.520 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.879 0.024 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.331 -0.642 -11.222 1.00 0.00 H new ATOM 930 N ASP A 63 13.706 -1.286 -8.012 1.00 0.00 N ATOM 931 CA ASP A 63 14.024 -2.550 -7.352 1.00 0.00 C ATOM 932 C ASP A 63 13.143 -2.766 -6.121 1.00 0.00 C ATOM 933 O ASP A 63 12.919 -3.899 -5.696 1.00 0.00 O ATOM 934 CB ASP A 63 15.492 -2.571 -6.921 1.00 0.00 C ATOM 935 CG ASP A 63 16.385 -2.446 -8.150 1.00 0.00 C ATOM 936 OD1 ASP A 63 16.648 -3.460 -8.773 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.793 -1.336 -8.450 1.00 0.00 O ATOM 0 H ASP A 63 14.448 -0.587 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 63 13.837 -3.351 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.691 -1.752 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.713 -3.497 -6.391 1.00 0.00 H new ATOM 942 N VAL A 64 12.647 -1.668 -5.548 1.00 0.00 N ATOM 943 CA VAL A 64 11.795 -1.757 -4.363 1.00 0.00 C ATOM 944 C VAL A 64 10.545 -2.591 -4.655 1.00 0.00 C ATOM 945 O VAL A 64 10.134 -3.427 -3.849 1.00 0.00 O ATOM 946 CB VAL A 64 11.389 -0.348 -3.897 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.554 0.348 -4.978 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.573 -0.443 -2.602 1.00 0.00 C ATOM 0 H VAL A 64 12.818 -0.719 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 64 12.360 -2.247 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 64 12.292 0.234 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.273 1.344 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.140 0.431 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.654 -0.235 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.288 0.558 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.676 -1.036 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.174 -0.919 -1.827 1.00 0.00 H new ATOM 958 N ALA A 65 9.946 -2.350 -5.817 1.00 0.00 N ATOM 959 CA ALA A 65 8.741 -3.078 -6.210 1.00 0.00 C ATOM 960 C ALA A 65 9.100 -4.433 -6.814 1.00 0.00 C ATOM 961 O ALA A 65 8.340 -5.395 -6.708 1.00 0.00 O ATOM 962 CB ALA A 65 7.942 -2.273 -7.236 1.00 0.00 C ATOM 0 H ALA A 65 10.270 -1.663 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 65 8.138 -3.231 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.048 -2.829 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.652 -1.316 -6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.556 -2.100 -8.120 1.00 0.00 H new ATOM 968 N GLY A 66 10.266 -4.498 -7.452 1.00 0.00 N ATOM 969 CA GLY A 66 10.713 -5.743 -8.072 1.00 0.00 C ATOM 970 C GLY A 66 10.865 -6.847 -7.031 1.00 0.00 C ATOM 971 O GLY A 66 10.685 -8.028 -7.328 1.00 0.00 O ATOM 0 H GLY A 66 10.911 -3.714 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.997 -6.052 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.665 -5.581 -8.577 1.00 0.00 H new ATOM 975 N ARG A 67 11.201 -6.450 -5.807 1.00 0.00 N ATOM 976 CA ARG A 67 11.377 -7.415 -4.726 1.00 0.00 C ATOM 977 C ARG A 67 10.218 -7.320 -3.734 1.00 0.00 C ATOM 978 O ARG A 67 10.411 -7.073 -2.541 1.00 0.00 O ATOM 979 CB ARG A 67 12.699 -7.160 -3.995 1.00 0.00 C ATOM 980 CG ARG A 67 13.087 -8.402 -3.191 1.00 0.00 C ATOM 981 CD ARG A 67 14.560 -8.312 -2.791 1.00 0.00 C ATOM 982 NE ARG A 67 15.035 -9.594 -2.279 1.00 0.00 N ATOM 983 CZ ARG A 67 15.437 -9.721 -1.018 1.00 0.00 C ATOM 984 NH1 ARG A 67 16.382 -8.951 -0.553 1.00 0.00 N ATOM 985 NH2 ARG A 67 14.885 -10.616 -0.245 1.00 0.00 N ATOM 0 H ARG A 67 11.356 -5.478 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 67 11.395 -8.415 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.483 -6.919 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.600 -6.301 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.462 -8.482 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.915 -9.300 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.158 -8.015 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.689 -7.541 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 67 15.059 -10.404 -2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.813 -8.251 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.690 -9.049 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.146 -11.218 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.193 -10.714 0.722 1.00 0.00 H new ATOM 999 N VAL A 68 9.006 -7.520 -4.243 1.00 0.00 N ATOM 1000 CA VAL A 68 7.815 -7.456 -3.400 1.00 0.00 C ATOM 1001 C VAL A 68 7.096 -8.808 -3.389 1.00 0.00 C ATOM 1002 O VAL A 68 6.565 -9.255 -4.405 1.00 0.00 O ATOM 1003 CB VAL A 68 6.860 -6.355 -3.896 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.353 -6.681 -5.305 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.667 -6.235 -2.944 1.00 0.00 C ATOM 0 H VAL A 68 8.822 -7.726 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 68 8.127 -7.215 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 68 7.404 -5.411 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.679 -5.893 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.199 -6.751 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.820 -7.632 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.995 -5.454 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.133 -7.185 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.022 -5.980 -1.946 1.00 0.00 H new ATOM 1015 N ASP A 69 7.089 -9.452 -2.225 1.00 0.00 N ATOM 1016 CA ASP A 69 6.435 -10.752 -2.089 1.00 0.00 C ATOM 1017 C ASP A 69 5.054 -10.620 -1.433 1.00 0.00 C ATOM 1018 O ASP A 69 4.419 -11.623 -1.107 1.00 0.00 O ATOM 1019 CB ASP A 69 7.294 -11.692 -1.241 1.00 0.00 C ATOM 1020 CG ASP A 69 7.605 -11.029 0.096 1.00 0.00 C ATOM 1021 OD1 ASP A 69 6.668 -10.724 0.816 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.775 -10.835 0.381 1.00 0.00 O ATOM 0 H ASP A 69 7.523 -9.101 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 69 6.312 -11.160 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.770 -12.634 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.220 -11.929 -1.766 1.00 0.00 H new ATOM 1027 N THR A 70 4.589 -9.383 -1.245 1.00 0.00 N ATOM 1028 CA THR A 70 3.284 -9.160 -0.630 1.00 0.00 C ATOM 1029 C THR A 70 2.557 -8.010 -1.334 1.00 0.00 C ATOM 1030 O THR A 70 3.196 -7.098 -1.857 1.00 0.00 O ATOM 1031 CB THR A 70 3.441 -8.818 0.854 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.637 -8.073 1.042 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.507 -10.107 1.674 1.00 0.00 C ATOM 0 H THR A 70 5.090 -8.534 -1.506 1.00 0.00 H new ATOM 0 HA THR A 70 2.702 -10.076 -0.729 1.00 0.00 H new ATOM 0 HB THR A 70 2.587 -8.226 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.739 -7.852 1.991 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.619 -9.861 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.590 -10.678 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.360 -10.702 1.348 1.00 0.00 H new ATOM 1041 N PRO A 71 1.214 -8.032 -1.364 1.00 0.00 N ATOM 1042 CA PRO A 71 0.436 -6.965 -2.022 1.00 0.00 C ATOM 1043 C PRO A 71 0.300 -5.723 -1.148 1.00 0.00 C ATOM 1044 O PRO A 71 0.414 -4.594 -1.623 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.919 -7.629 -2.227 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.032 -8.737 -1.189 1.00 0.00 C ATOM 1047 CD PRO A 71 0.390 -9.098 -0.749 1.00 0.00 C ATOM 0 HA PRO A 71 0.904 -6.608 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.725 -6.905 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.001 -8.035 -3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.625 -8.406 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.536 -9.607 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.486 -9.106 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.682 -10.087 -1.102 1.00 0.00 H new ATOM 1055 N ARG A 72 0.056 -5.948 0.140 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.094 -4.843 1.085 1.00 0.00 C ATOM 1057 C ARG A 72 1.163 -3.976 1.111 1.00 0.00 C ATOM 1058 O ARG A 72 1.105 -2.788 1.428 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.358 -5.378 2.494 1.00 0.00 C ATOM 1060 CG ARG A 72 -0.818 -4.233 3.398 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.347 -4.194 3.435 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.870 -5.323 4.200 1.00 0.00 N ATOM 1063 CZ ARG A 72 -3.838 -5.153 5.096 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.891 -4.444 4.792 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -3.735 -5.696 6.278 1.00 0.00 N ATOM 0 H ARG A 72 -0.042 -6.876 0.552 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.940 -4.239 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.119 -6.158 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.547 -5.832 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.423 -4.369 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.428 -3.285 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.682 -3.258 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.742 -4.221 2.419 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.487 -6.256 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.971 -4.021 3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.634 -4.313 5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.912 -6.251 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.477 -5.566 6.965 1.00 0.00 H new ATOM 1079 N GLU A 73 2.301 -4.581 0.777 1.00 0.00 N ATOM 1080 CA GLU A 73 3.566 -3.852 0.766 1.00 0.00 C ATOM 1081 C GLU A 73 3.590 -2.836 -0.372 1.00 0.00 C ATOM 1082 O GLU A 73 3.979 -1.686 -0.186 1.00 0.00 O ATOM 1083 CB GLU A 73 4.739 -4.819 0.594 1.00 0.00 C ATOM 1084 CG GLU A 73 6.018 -4.176 1.135 1.00 0.00 C ATOM 1085 CD GLU A 73 7.000 -5.265 1.550 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.346 -6.077 0.708 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.394 -5.272 2.706 1.00 0.00 O ATOM 0 H GLU A 73 2.373 -5.564 0.513 1.00 0.00 H new ATOM 0 HA GLU A 73 3.660 -3.331 1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.536 -5.750 1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.864 -5.071 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.467 -3.538 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.784 -3.538 1.988 1.00 0.00 H new ATOM 1094 N LEU A 74 3.170 -3.279 -1.558 1.00 0.00 N ATOM 1095 CA LEU A 74 3.149 -2.404 -2.733 1.00 0.00 C ATOM 1096 C LEU A 74 2.346 -1.131 -2.456 1.00 0.00 C ATOM 1097 O LEU A 74 2.778 -0.025 -2.780 1.00 0.00 O ATOM 1098 CB LEU A 74 2.533 -3.135 -3.930 1.00 0.00 C ATOM 1099 CG LEU A 74 3.185 -2.642 -5.223 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.581 -3.254 -5.357 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.328 -3.064 -6.419 1.00 0.00 C ATOM 0 H LEU A 74 2.842 -4.229 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 74 4.179 -2.130 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.677 -4.210 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.458 -2.959 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 74 3.265 -1.555 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.045 -2.903 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.192 -2.955 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.501 -4.341 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.792 -2.713 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.248 -4.151 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.333 -2.629 -6.325 1.00 0.00 H new ATOM 1113 N LEU A 75 1.176 -1.304 -1.847 1.00 0.00 N ATOM 1114 CA LEU A 75 0.319 -0.166 -1.521 1.00 0.00 C ATOM 1115 C LEU A 75 1.031 0.773 -0.549 1.00 0.00 C ATOM 1116 O LEU A 75 1.030 1.985 -0.727 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.990 -0.661 -0.890 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.908 0.520 -0.545 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.856 0.791 -1.711 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.719 0.173 0.703 1.00 0.00 C ATOM 0 H LEU A 75 0.801 -2.212 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 75 0.096 0.376 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.499 -1.335 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.771 -1.233 0.012 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.307 1.410 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.507 1.630 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.277 1.032 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.462 -0.095 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.374 1.007 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.321 -0.715 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.042 -0.021 1.535 1.00 0.00 H new ATOM 1132 N ASP A 76 1.614 0.200 0.490 1.00 0.00 N ATOM 1133 CA ASP A 76 2.311 1.001 1.495 1.00 0.00 C ATOM 1134 C ASP A 76 3.596 1.628 0.937 1.00 0.00 C ATOM 1135 O ASP A 76 4.198 2.490 1.576 1.00 0.00 O ATOM 1136 CB ASP A 76 2.665 0.138 2.707 1.00 0.00 C ATOM 1137 CG ASP A 76 2.668 1.000 3.965 1.00 0.00 C ATOM 1138 OD1 ASP A 76 3.636 1.716 4.165 1.00 0.00 O ATOM 1139 OD2 ASP A 76 1.704 0.932 4.709 1.00 0.00 O ATOM 0 H ASP A 76 1.622 -0.805 0.664 1.00 0.00 H new ATOM 0 HA ASP A 76 1.635 1.804 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.944 -0.673 2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.644 -0.321 2.566 1.00 0.00 H new ATOM 1144 N LEU A 77 4.017 1.193 -0.253 1.00 0.00 N ATOM 1145 CA LEU A 77 5.235 1.732 -0.857 1.00 0.00 C ATOM 1146 C LEU A 77 4.936 3.012 -1.632 1.00 0.00 C ATOM 1147 O LEU A 77 5.426 4.089 -1.297 1.00 0.00 O ATOM 1148 CB LEU A 77 5.852 0.714 -1.817 1.00 0.00 C ATOM 1149 CG LEU A 77 6.569 -0.366 -1.013 1.00 0.00 C ATOM 1150 CD1 LEU A 77 6.825 -1.584 -1.904 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.903 0.182 -0.501 1.00 0.00 C ATOM 0 H LEU A 77 3.542 0.482 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 77 5.934 1.950 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.076 0.266 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.553 1.209 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 77 5.948 -0.661 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.337 -2.355 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.875 -1.975 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.445 -1.291 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.416 -0.589 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.524 0.478 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.720 1.048 0.135 1.00 0.00 H new ATOM 1163 N ILE A 78 4.130 2.872 -2.677 1.00 0.00 N ATOM 1164 CA ILE A 78 3.766 4.017 -3.511 1.00 0.00 C ATOM 1165 C ILE A 78 2.992 5.047 -2.692 1.00 0.00 C ATOM 1166 O ILE A 78 3.195 6.254 -2.823 1.00 0.00 O ATOM 1167 CB ILE A 78 2.899 3.561 -4.694 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.621 2.451 -5.478 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.619 4.745 -5.624 1.00 0.00 C ATOM 1170 CD1 ILE A 78 4.969 2.962 -6.005 1.00 0.00 C ATOM 0 H ILE A 78 3.717 1.986 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 78 4.684 4.469 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 78 1.955 3.174 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.779 1.586 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.999 2.120 -6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.004 4.413 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.092 5.524 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.561 5.142 -6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.469 2.166 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.803 3.813 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.594 3.270 -5.167 1.00 0.00 H new ATOM 1182 N ASN A 79 2.099 4.545 -1.853 1.00 0.00 N ATOM 1183 CA ASN A 79 1.276 5.403 -1.005 1.00 0.00 C ATOM 1184 C ASN A 79 2.131 6.126 0.031 1.00 0.00 C ATOM 1185 O ASN A 79 1.808 7.235 0.455 1.00 0.00 O ATOM 1186 CB ASN A 79 0.220 4.566 -0.281 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.879 5.472 0.268 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.720 6.692 0.332 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.999 4.938 0.671 1.00 0.00 N ATOM 0 H ASN A 79 1.923 3.547 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 79 0.791 6.141 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.209 3.835 -0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.682 4.007 0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.743 5.531 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.131 3.928 0.618 1.00 0.00 H new ATOM 1196 N GLY A 80 3.220 5.483 0.441 1.00 0.00 N ATOM 1197 CA GLY A 80 4.111 6.076 1.435 1.00 0.00 C ATOM 1198 C GLY A 80 4.820 7.303 0.872 1.00 0.00 C ATOM 1199 O GLY A 80 4.806 8.375 1.476 1.00 0.00 O ATOM 0 H GLY A 80 3.505 4.563 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.539 6.356 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.849 5.339 1.753 1.00 0.00 H new ATOM 1203 N ALA A 81 5.441 7.133 -0.290 1.00 0.00 N ATOM 1204 CA ALA A 81 6.158 8.236 -0.927 1.00 0.00 C ATOM 1205 C ALA A 81 5.199 9.371 -1.272 1.00 0.00 C ATOM 1206 O ALA A 81 5.573 10.543 -1.259 1.00 0.00 O ATOM 1207 CB ALA A 81 6.846 7.759 -2.209 1.00 0.00 C ATOM 0 H ALA A 81 5.464 6.254 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 81 6.909 8.597 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.375 8.593 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.556 6.968 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.098 7.376 -2.903 1.00 0.00 H new ATOM 1213 N LEU A 82 3.957 9.009 -1.584 1.00 0.00 N ATOM 1214 CA LEU A 82 2.948 10.005 -1.935 1.00 0.00 C ATOM 1215 C LEU A 82 2.502 10.781 -0.698 1.00 0.00 C ATOM 1216 O LEU A 82 2.113 11.946 -0.786 1.00 0.00 O ATOM 1217 CB LEU A 82 1.728 9.331 -2.566 1.00 0.00 C ATOM 1218 CG LEU A 82 1.056 10.300 -3.539 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.911 10.431 -4.802 1.00 0.00 C ATOM 1220 CD2 LEU A 82 -0.328 9.768 -3.916 1.00 0.00 C ATOM 0 H LEU A 82 3.627 8.044 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 82 3.395 10.694 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.031 8.424 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.023 9.031 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 82 0.954 11.276 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.432 11.122 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.898 10.810 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.013 9.454 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.807 10.459 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.226 8.791 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.939 9.674 -3.018 1.00 0.00 H new ATOM 1232 N ALA A 83 2.561 10.122 0.457 1.00 0.00 N ATOM 1233 CA ALA A 83 2.158 10.757 1.708 1.00 0.00 C ATOM 1234 C ALA A 83 3.118 11.886 2.068 1.00 0.00 C ATOM 1235 O ALA A 83 2.724 12.893 2.656 1.00 0.00 O ATOM 1236 CB ALA A 83 2.145 9.733 2.845 1.00 0.00 C ATOM 0 H ALA A 83 2.881 9.158 0.552 1.00 0.00 H new ATOM 0 HA ALA A 83 1.156 11.164 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.843 10.222 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.440 8.936 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.143 9.311 2.966 1.00 0.00 H new ATOM 1242 N GLU A 84 4.385 11.704 1.707 1.00 0.00 N ATOM 1243 CA GLU A 84 5.400 12.713 1.997 1.00 0.00 C ATOM 1244 C GLU A 84 5.169 13.964 1.154 1.00 0.00 C ATOM 1245 O GLU A 84 5.339 15.087 1.627 1.00 0.00 O ATOM 1246 CB GLU A 84 6.797 12.165 1.702 1.00 0.00 C ATOM 1247 CG GLU A 84 7.141 11.069 2.712 1.00 0.00 C ATOM 1248 CD GLU A 84 8.648 10.840 2.722 1.00 0.00 C ATOM 1249 OE1 GLU A 84 9.166 10.394 1.711 1.00 0.00 O ATOM 1250 OE2 GLU A 84 9.263 11.114 3.739 1.00 0.00 O ATOM 0 H GLU A 84 4.731 10.878 1.219 1.00 0.00 H new ATOM 0 HA GLU A 84 5.325 12.970 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.835 11.765 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.533 12.968 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.800 11.356 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.624 10.145 2.452 1.00 0.00 H new ATOM 1257 N ALA A 85 4.778 13.755 -0.100 1.00 0.00 N ATOM 1258 CA ALA A 85 4.527 14.875 -1.004 1.00 0.00 C ATOM 1259 C ALA A 85 3.332 15.691 -0.523 1.00 0.00 C ATOM 1260 O ALA A 85 3.483 16.813 -0.038 1.00 0.00 O ATOM 1261 CB ALA A 85 4.246 14.369 -2.422 1.00 0.00 C ATOM 0 H ALA A 85 4.629 12.833 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 85 5.417 15.504 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.061 15.217 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.107 13.808 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.369 13.721 -2.410 1.00 0.00 H new ATOM 1267 N ALA A 86 2.140 15.115 -0.660 1.00 0.00 N ATOM 1268 CA ALA A 86 0.921 15.798 -0.235 1.00 0.00 C ATOM 1269 C ALA A 86 -0.245 14.817 -0.171 1.00 0.00 C ATOM 1270 O ALA A 86 -0.647 14.476 0.928 1.00 0.00 O ATOM 1271 CB ALA A 86 0.571 16.926 -1.207 1.00 0.00 C ATOM 1272 OXT ALA A 86 -0.717 14.421 -1.224 1.00 0.00 O ATOM 0 H ALA A 86 1.993 14.187 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 86 1.099 16.216 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.340 17.423 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.388 17.647 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.415 16.512 -2.203 1.00 0.00 H new