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 146:sc= 1.02 USER MOD Set 1.2: A 40 TYR OH : rot 162:sc= 1.29 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 42 SER OG : rot -103:sc= 0.36 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0022 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 180:sc=-0.00473 USER MOD Single : A 70 THR OG1 : rot -160:sc= -1.37 USER MOD Single : A 79 ASN : amide:sc= -0.565 K(o=-0.57,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -3.698 10.152 -1.451 1.00 0.00 N ATOM 45 CA LEU A 4 -3.304 9.669 -2.773 1.00 0.00 C ATOM 46 C LEU A 4 -4.272 8.591 -3.263 1.00 0.00 C ATOM 47 O LEU A 4 -5.111 8.842 -4.129 1.00 0.00 O ATOM 48 CB LEU A 4 -1.882 9.100 -2.731 1.00 0.00 C ATOM 49 CG LEU A 4 -0.891 10.225 -2.411 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.212 9.694 -1.492 1.00 0.00 C ATOM 51 CD2 LEU A 4 -0.263 10.743 -3.709 1.00 0.00 C ATOM 0 HA LEU A 4 -3.333 10.512 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.815 8.316 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.633 8.643 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.420 11.037 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.915 10.496 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.231 9.328 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.739 8.879 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.441 11.543 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.263 9.929 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.045 11.126 -4.364 1.00 0.00 H new ATOM 63 N LEU A 5 -4.152 7.390 -2.699 1.00 0.00 N ATOM 64 CA LEU A 5 -5.030 6.286 -3.084 1.00 0.00 C ATOM 65 C LEU A 5 -5.229 5.331 -1.909 1.00 0.00 C ATOM 66 O LEU A 5 -4.642 5.507 -0.842 1.00 0.00 O ATOM 67 CB LEU A 5 -4.470 5.523 -4.305 1.00 0.00 C ATOM 68 CG LEU A 5 -3.210 4.719 -3.935 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.782 3.851 -5.128 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.077 5.676 -3.569 1.00 0.00 C ATOM 0 H LEU A 5 -3.464 7.158 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.995 6.708 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.232 4.849 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.232 6.230 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.432 4.078 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.890 3.283 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.587 3.163 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.564 4.490 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.187 5.103 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.857 6.321 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.378 6.287 -2.718 1.00 0.00 H new ATOM 82 N THR A 6 -6.067 4.321 -2.114 1.00 0.00 N ATOM 83 CA THR A 6 -6.336 3.349 -1.058 1.00 0.00 C ATOM 84 C THR A 6 -6.211 1.922 -1.584 1.00 0.00 C ATOM 85 O THR A 6 -5.828 1.689 -2.734 1.00 0.00 O ATOM 86 CB THR A 6 -7.750 3.548 -0.503 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.702 3.202 -1.501 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.942 5.011 -0.096 1.00 0.00 C ATOM 0 H THR A 6 -6.566 4.154 -2.988 1.00 0.00 H new ATOM 0 HA THR A 6 -5.601 3.505 -0.268 1.00 0.00 H new ATOM 0 HB THR A 6 -7.890 2.911 0.370 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.607 3.327 -1.147 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.949 5.150 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.213 5.274 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.802 5.652 -0.966 1.00 0.00 H new ATOM 96 N THR A 7 -6.559 0.966 -0.722 1.00 0.00 N ATOM 97 CA THR A 7 -6.510 -0.449 -1.088 1.00 0.00 C ATOM 98 C THR A 7 -7.334 -0.691 -2.353 1.00 0.00 C ATOM 99 O THR A 7 -6.995 -1.528 -3.184 1.00 0.00 O ATOM 100 CB THR A 7 -7.061 -1.307 0.060 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.281 -1.083 1.226 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.005 -2.792 -0.309 1.00 0.00 C ATOM 0 H THR A 7 -6.877 1.145 0.231 1.00 0.00 H new ATOM 0 HA THR A 7 -5.474 -0.728 -1.278 1.00 0.00 H new ATOM 0 HB THR A 7 -8.099 -1.029 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.630 -1.627 1.962 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.399 -3.387 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.604 -2.968 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.972 -3.080 -0.503 1.00 0.00 H new ATOM 110 N ASP A 8 -8.416 0.076 -2.489 1.00 0.00 N ATOM 111 CA ASP A 8 -9.286 -0.031 -3.664 1.00 0.00 C ATOM 112 C ASP A 8 -8.462 0.124 -4.941 1.00 0.00 C ATOM 113 O ASP A 8 -8.581 -0.669 -5.876 1.00 0.00 O ATOM 114 CB ASP A 8 -10.366 1.053 -3.631 1.00 0.00 C ATOM 115 CG ASP A 8 -11.638 0.528 -4.289 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.634 0.371 -5.499 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.597 0.291 -3.574 1.00 0.00 O ATOM 0 H ASP A 8 -8.711 0.774 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.761 -1.012 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.571 1.345 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.017 1.945 -4.152 1.00 0.00 H new ATOM 122 N ASP A 9 -7.600 1.143 -4.954 1.00 0.00 N ATOM 123 CA ASP A 9 -6.731 1.379 -6.106 1.00 0.00 C ATOM 124 C ASP A 9 -5.802 0.185 -6.290 1.00 0.00 C ATOM 125 O ASP A 9 -5.462 -0.193 -7.411 1.00 0.00 O ATOM 126 CB ASP A 9 -5.882 2.639 -5.909 1.00 0.00 C ATOM 127 CG ASP A 9 -5.615 3.284 -7.265 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.922 2.673 -8.062 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.108 4.377 -7.487 1.00 0.00 O ATOM 0 H ASP A 9 -7.486 1.809 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.360 1.514 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.399 3.341 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.940 2.385 -5.423 1.00 0.00 H new ATOM 134 N LEU A 10 -5.404 -0.409 -5.162 1.00 0.00 N ATOM 135 CA LEU A 10 -4.519 -1.578 -5.174 1.00 0.00 C ATOM 136 C LEU A 10 -5.081 -2.676 -6.083 1.00 0.00 C ATOM 137 O LEU A 10 -4.390 -3.192 -6.964 1.00 0.00 O ATOM 138 CB LEU A 10 -4.391 -2.139 -3.753 1.00 0.00 C ATOM 139 CG LEU A 10 -3.040 -2.830 -3.566 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.932 -3.321 -2.122 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.933 -4.027 -4.514 1.00 0.00 C ATOM 0 H LEU A 10 -5.680 -0.101 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.545 -1.265 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.496 -1.333 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.197 -2.847 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.237 -2.126 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.972 -3.816 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.009 -2.472 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.738 -4.025 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.968 -4.515 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.733 -4.735 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.022 -3.684 -5.545 1.00 0.00 H new ATOM 153 N ARG A 11 -6.342 -3.025 -5.847 1.00 0.00 N ATOM 154 CA ARG A 11 -7.003 -4.064 -6.632 1.00 0.00 C ATOM 155 C ARG A 11 -7.072 -3.669 -8.101 1.00 0.00 C ATOM 156 O ARG A 11 -6.692 -4.437 -8.980 1.00 0.00 O ATOM 157 CB ARG A 11 -8.428 -4.290 -6.120 1.00 0.00 C ATOM 158 CG ARG A 11 -8.817 -5.765 -6.289 1.00 0.00 C ATOM 159 CD ARG A 11 -8.813 -6.462 -4.927 1.00 0.00 C ATOM 160 NE ARG A 11 -9.702 -7.621 -4.939 1.00 0.00 N ATOM 161 CZ ARG A 11 -9.359 -8.741 -5.569 1.00 0.00 C ATOM 162 NH1 ARG A 11 -8.361 -9.458 -5.130 1.00 0.00 N ATOM 163 NH2 ARG A 11 -10.022 -9.125 -6.626 1.00 0.00 N ATOM 0 H ARG A 11 -6.925 -2.606 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.421 -4.980 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.496 -4.005 -5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.125 -3.656 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.805 -5.840 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.118 -6.260 -6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.800 -6.777 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.130 -5.762 -4.154 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.599 -7.571 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.843 -9.160 -4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.098 -10.317 -5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.803 -8.566 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.759 -9.984 -7.109 1.00 0.00 H new ATOM 177 N ARG A 12 -7.574 -2.464 -8.354 1.00 0.00 N ATOM 178 CA ARG A 12 -7.712 -1.962 -9.726 1.00 0.00 C ATOM 179 C ARG A 12 -6.397 -2.067 -10.501 1.00 0.00 C ATOM 180 O ARG A 12 -6.393 -2.172 -11.728 1.00 0.00 O ATOM 181 CB ARG A 12 -8.154 -0.497 -9.711 1.00 0.00 C ATOM 182 CG ARG A 12 -8.886 -0.160 -11.018 1.00 0.00 C ATOM 183 CD ARG A 12 -8.368 1.169 -11.574 1.00 0.00 C ATOM 184 NE ARG A 12 -9.217 1.635 -12.667 1.00 0.00 N ATOM 185 CZ ARG A 12 -8.842 1.490 -13.936 1.00 0.00 C ATOM 186 NH1 ARG A 12 -7.901 2.248 -14.429 1.00 0.00 N ATOM 187 NH2 ARG A 12 -9.416 0.590 -14.686 1.00 0.00 N ATOM 0 H ARG A 12 -7.892 -1.816 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.462 -2.579 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.809 -0.314 -8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.287 0.153 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.732 -0.955 -11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.959 -0.096 -10.839 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.344 1.916 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.344 1.047 -11.928 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.111 2.078 -12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.453 2.952 -13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.614 2.137 -15.401 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.152 -0.002 -14.300 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.129 0.478 -15.658 1.00 0.00 H new ATOM 201 N ALA A 13 -5.283 -2.028 -9.777 1.00 0.00 N ATOM 202 CA ALA A 13 -3.970 -2.107 -10.413 1.00 0.00 C ATOM 203 C ALA A 13 -3.636 -3.546 -10.807 1.00 0.00 C ATOM 204 O ALA A 13 -3.163 -3.807 -11.912 1.00 0.00 O ATOM 205 CB ALA A 13 -2.885 -1.590 -9.468 1.00 0.00 C ATOM 0 H ALA A 13 -5.261 -1.943 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.003 -1.488 -11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.914 -1.656 -9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.091 -0.551 -9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.875 -2.194 -8.560 1.00 0.00 H new ATOM 211 N LEU A 14 -3.878 -4.472 -9.885 1.00 0.00 N ATOM 212 CA LEU A 14 -3.586 -5.883 -10.139 1.00 0.00 C ATOM 213 C LEU A 14 -4.593 -6.511 -11.112 1.00 0.00 C ATOM 214 O LEU A 14 -4.367 -7.606 -11.628 1.00 0.00 O ATOM 215 CB LEU A 14 -3.614 -6.669 -8.827 1.00 0.00 C ATOM 216 CG LEU A 14 -2.220 -6.654 -8.196 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.339 -6.870 -6.687 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.371 -7.773 -8.805 1.00 0.00 C ATOM 0 H LEU A 14 -4.271 -4.277 -8.964 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.595 -5.930 -10.590 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.340 -6.230 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.931 -7.695 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.746 -5.692 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.346 -6.859 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.942 -6.073 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.814 -7.832 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.378 -7.762 -8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.846 -8.735 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.284 -7.619 -9.881 1.00 0.00 H new ATOM 230 N VAL A 15 -5.704 -5.819 -11.356 1.00 0.00 N ATOM 231 CA VAL A 15 -6.729 -6.332 -12.264 1.00 0.00 C ATOM 232 C VAL A 15 -6.422 -5.922 -13.703 1.00 0.00 C ATOM 233 O VAL A 15 -6.776 -6.623 -14.649 1.00 0.00 O ATOM 234 CB VAL A 15 -8.110 -5.796 -11.866 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.195 -6.437 -12.739 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.383 -6.130 -10.393 1.00 0.00 C ATOM 0 H VAL A 15 -5.917 -4.911 -10.943 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.731 -7.420 -12.195 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.126 -4.716 -12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.172 -6.050 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.007 -6.199 -13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.179 -7.518 -12.604 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.364 -5.749 -10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.359 -7.211 -10.255 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.620 -5.667 -9.767 1.00 0.00 H new ATOM 246 N GLU A 16 -5.760 -4.776 -13.857 1.00 0.00 N ATOM 247 CA GLU A 16 -5.409 -4.281 -15.187 1.00 0.00 C ATOM 248 C GLU A 16 -4.568 -5.303 -15.957 1.00 0.00 C ATOM 249 O GLU A 16 -4.501 -5.268 -17.185 1.00 0.00 O ATOM 250 CB GLU A 16 -4.620 -2.975 -15.076 1.00 0.00 C ATOM 251 CG GLU A 16 -4.671 -2.232 -16.412 1.00 0.00 C ATOM 252 CD GLU A 16 -3.763 -1.009 -16.348 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.603 -1.175 -16.004 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.239 0.075 -16.641 1.00 0.00 O ATOM 0 H GLU A 16 -5.459 -4.179 -13.087 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.340 -4.109 -15.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.038 -2.352 -14.285 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.586 -3.185 -14.804 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.354 -2.892 -17.220 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.694 -1.928 -16.632 1.00 0.00 H new ATOM 261 N CYS A 17 -3.920 -6.212 -15.224 1.00 0.00 N ATOM 262 CA CYS A 17 -3.081 -7.234 -15.852 1.00 0.00 C ATOM 263 C CYS A 17 -3.877 -8.054 -16.868 1.00 0.00 C ATOM 264 O CYS A 17 -3.682 -7.926 -18.076 1.00 0.00 O ATOM 265 CB CYS A 17 -2.509 -8.178 -14.792 1.00 0.00 C ATOM 266 SG CYS A 17 -1.338 -7.275 -13.749 1.00 0.00 S ATOM 0 H CYS A 17 -3.959 -6.261 -14.206 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.269 -6.721 -16.368 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.314 -8.588 -14.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.011 -9.021 -15.271 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.398 -7.732 -12.533 1.00 0.00 H new ATOM 272 N ALA A 18 -4.771 -8.903 -16.364 1.00 0.00 N ATOM 273 CA ALA A 18 -5.582 -9.746 -17.242 1.00 0.00 C ATOM 274 C ALA A 18 -7.063 -9.631 -16.885 1.00 0.00 C ATOM 275 O ALA A 18 -7.796 -10.621 -16.876 1.00 0.00 O ATOM 276 CB ALA A 18 -5.149 -11.208 -17.127 1.00 0.00 C ATOM 0 H ALA A 18 -4.951 -9.025 -15.367 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.434 -9.403 -18.266 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.762 -11.822 -17.787 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.102 -11.301 -17.414 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.274 -11.545 -16.098 1.00 0.00 H new ATOM 400 N ASP A 29 -10.737 -7.664 2.930 1.00 0.00 N ATOM 401 CA ASP A 29 -9.438 -8.300 3.143 1.00 0.00 C ATOM 402 C ASP A 29 -9.138 -9.274 2.007 1.00 0.00 C ATOM 403 O ASP A 29 -9.599 -10.416 2.012 1.00 0.00 O ATOM 404 CB ASP A 29 -9.423 -9.064 4.469 1.00 0.00 C ATOM 405 CG ASP A 29 -9.263 -8.080 5.624 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.142 -7.670 5.877 1.00 0.00 O ATOM 407 OD2 ASP A 29 -10.264 -7.754 6.239 1.00 0.00 O ATOM 0 HA ASP A 29 -8.679 -7.518 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.348 -9.630 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.605 -9.785 4.476 1.00 0.00 H new ATOM 412 N PHE A 30 -8.365 -8.809 1.030 1.00 0.00 N ATOM 413 CA PHE A 30 -8.013 -9.646 -0.116 1.00 0.00 C ATOM 414 C PHE A 30 -6.527 -9.554 -0.434 1.00 0.00 C ATOM 415 O PHE A 30 -6.109 -9.799 -1.566 1.00 0.00 O ATOM 416 CB PHE A 30 -8.800 -9.215 -1.353 1.00 0.00 C ATOM 417 CG PHE A 30 -8.682 -7.717 -1.550 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.503 -7.156 -2.066 1.00 0.00 C ATOM 419 CD2 PHE A 30 -9.759 -6.888 -1.215 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.406 -5.772 -2.247 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.660 -5.503 -1.395 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.484 -4.946 -1.911 1.00 0.00 C ATOM 0 H PHE A 30 -7.973 -7.868 1.007 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.261 -10.674 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.423 -9.736 -2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.848 -9.494 -1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.670 -7.793 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.667 -7.317 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.499 -5.342 -2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.491 -4.864 -1.136 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.409 -3.878 -2.050 1.00 0.00 H new ATOM 432 N LEU A 31 -5.731 -9.199 0.565 1.00 0.00 N ATOM 433 CA LEU A 31 -4.300 -9.075 0.366 1.00 0.00 C ATOM 434 C LEU A 31 -3.565 -10.102 1.248 1.00 0.00 C ATOM 435 O LEU A 31 -3.699 -11.305 1.025 1.00 0.00 O ATOM 436 CB LEU A 31 -3.876 -7.628 0.654 1.00 0.00 C ATOM 437 CG LEU A 31 -4.672 -6.686 -0.251 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.845 -5.328 0.430 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.929 -6.501 -1.573 1.00 0.00 C ATOM 0 H LEU A 31 -6.051 -8.994 1.512 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.031 -9.294 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.055 -7.385 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.807 -7.507 0.477 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.655 -7.119 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.413 -4.664 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.380 -5.458 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.865 -4.892 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.496 -5.830 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.945 -6.074 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.815 -7.467 -2.065 1.00 0.00 H new ATOM 451 N ASP A 32 -2.795 -9.641 2.247 1.00 0.00 N ATOM 452 CA ASP A 32 -2.051 -10.544 3.146 1.00 0.00 C ATOM 453 C ASP A 32 -1.394 -11.722 2.402 1.00 0.00 C ATOM 454 O ASP A 32 -1.160 -12.765 3.005 1.00 0.00 O ATOM 455 CB ASP A 32 -2.987 -11.107 4.215 1.00 0.00 C ATOM 456 CG ASP A 32 -3.087 -10.121 5.374 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.149 -10.055 6.152 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.099 -9.448 5.467 1.00 0.00 O ATOM 0 H ASP A 32 -2.670 -8.650 2.454 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.259 -9.946 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.975 -11.287 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.614 -12.067 4.571 1.00 0.00 H new ATOM 463 N LEU A 33 -1.104 -11.515 1.097 1.00 0.00 N ATOM 464 CA LEU A 33 -0.474 -12.522 0.201 1.00 0.00 C ATOM 465 C LEU A 33 -1.197 -12.518 -1.145 1.00 0.00 C ATOM 466 O LEU A 33 -2.426 -12.513 -1.198 1.00 0.00 O ATOM 467 CB LEU A 33 -0.496 -13.968 0.748 1.00 0.00 C ATOM 468 CG LEU A 33 -1.943 -14.425 1.001 1.00 0.00 C ATOM 469 CD1 LEU A 33 -2.435 -15.259 -0.187 1.00 0.00 C ATOM 470 CD2 LEU A 33 -1.997 -15.274 2.279 1.00 0.00 C ATOM 0 H LEU A 33 -1.303 -10.632 0.626 1.00 0.00 H new ATOM 0 HA LEU A 33 0.572 -12.228 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.015 -14.640 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.076 -14.022 1.674 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.582 -13.550 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.460 -15.582 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.400 -14.656 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.795 -16.133 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.022 -15.598 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.356 -16.148 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.651 -14.680 3.125 1.00 0.00 H new ATOM 482 N ARG A 34 -0.427 -12.527 -2.230 1.00 0.00 N ATOM 483 CA ARG A 34 -1.014 -12.531 -3.571 1.00 0.00 C ATOM 484 C ARG A 34 0.081 -12.566 -4.632 1.00 0.00 C ATOM 485 O ARG A 34 -0.033 -13.264 -5.640 1.00 0.00 O ATOM 486 CB ARG A 34 -1.884 -11.286 -3.790 1.00 0.00 C ATOM 487 CG ARG A 34 -2.643 -11.411 -5.118 1.00 0.00 C ATOM 488 CD ARG A 34 -4.097 -11.807 -4.846 1.00 0.00 C ATOM 489 NE ARG A 34 -4.653 -12.543 -5.977 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.802 -13.205 -5.867 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.871 -14.271 -5.115 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.859 -12.792 -6.509 1.00 0.00 N ATOM 0 H ARG A 34 0.593 -12.532 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.636 -13.422 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.589 -11.174 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.260 -10.392 -3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.609 -10.465 -5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.165 -12.158 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.150 -12.420 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.693 -10.914 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.153 -12.550 -6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.045 -14.595 -4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.751 -14.779 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.806 -11.960 -7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.739 -13.301 -6.423 1.00 0.00 H new ATOM 506 N PHE A 35 1.144 -11.805 -4.394 1.00 0.00 N ATOM 507 CA PHE A 35 2.259 -11.750 -5.336 1.00 0.00 C ATOM 508 C PHE A 35 2.914 -13.120 -5.476 1.00 0.00 C ATOM 509 O PHE A 35 3.327 -13.517 -6.567 1.00 0.00 O ATOM 510 CB PHE A 35 3.306 -10.740 -4.861 1.00 0.00 C ATOM 511 CG PHE A 35 2.947 -9.362 -5.365 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.670 -8.837 -5.125 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.890 -8.609 -6.074 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.338 -7.562 -5.594 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.556 -7.333 -6.544 1.00 0.00 C ATOM 516 CZ PHE A 35 2.280 -6.810 -6.302 1.00 0.00 C ATOM 0 H PHE A 35 1.258 -11.222 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 35 1.866 -11.440 -6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.356 -10.738 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.293 -11.026 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.942 -9.417 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.875 -9.012 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.354 -7.158 -5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.282 -6.752 -7.093 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.023 -5.825 -6.663 1.00 0.00 H new ATOM 526 N GLU A 36 3.004 -13.841 -4.362 1.00 0.00 N ATOM 527 CA GLU A 36 3.611 -15.167 -4.374 1.00 0.00 C ATOM 528 C GLU A 36 2.532 -16.246 -4.407 1.00 0.00 C ATOM 529 O GLU A 36 2.680 -17.314 -3.813 1.00 0.00 O ATOM 530 CB GLU A 36 4.486 -15.366 -3.131 1.00 0.00 C ATOM 531 CG GLU A 36 5.756 -16.130 -3.512 1.00 0.00 C ATOM 532 CD GLU A 36 6.384 -16.734 -2.260 1.00 0.00 C ATOM 533 OE1 GLU A 36 6.656 -15.983 -1.337 1.00 0.00 O ATOM 534 OE2 GLU A 36 6.583 -17.937 -2.243 1.00 0.00 O ATOM 0 H GLU A 36 2.668 -13.533 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 36 4.230 -15.248 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.747 -14.400 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.933 -15.916 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.518 -16.917 -4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.464 -15.459 -3.999 1.00 0.00 H new ATOM 541 N ASP A 37 1.442 -15.951 -5.110 1.00 0.00 N ATOM 542 CA ASP A 37 0.338 -16.899 -5.217 1.00 0.00 C ATOM 543 C ASP A 37 -0.014 -17.150 -6.681 1.00 0.00 C ATOM 544 O ASP A 37 -0.212 -18.290 -7.099 1.00 0.00 O ATOM 545 CB ASP A 37 -0.898 -16.362 -4.493 1.00 0.00 C ATOM 546 CG ASP A 37 -1.769 -17.527 -4.036 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.099 -18.357 -4.868 1.00 0.00 O ATOM 548 OD2 ASP A 37 -2.094 -17.573 -2.861 1.00 0.00 O ATOM 0 H ASP A 37 1.300 -15.073 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 37 0.653 -17.835 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.597 -15.761 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.465 -15.709 -5.156 1.00 0.00 H new ATOM 553 N ILE A 38 -0.090 -16.070 -7.455 1.00 0.00 N ATOM 554 CA ILE A 38 -0.424 -16.186 -8.876 1.00 0.00 C ATOM 555 C ILE A 38 0.826 -16.499 -9.694 1.00 0.00 C ATOM 556 O ILE A 38 0.757 -17.166 -10.726 1.00 0.00 O ATOM 557 CB ILE A 38 -1.045 -14.890 -9.410 1.00 0.00 C ATOM 558 CG1 ILE A 38 -2.091 -14.357 -8.422 1.00 0.00 C ATOM 559 CG2 ILE A 38 -1.716 -15.175 -10.757 1.00 0.00 C ATOM 560 CD1 ILE A 38 -2.640 -13.015 -8.918 1.00 0.00 C ATOM 0 H ILE A 38 0.072 -15.117 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.147 -16.996 -8.973 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.263 -14.141 -9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.904 -15.076 -8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.643 -14.235 -7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.160 -14.258 -11.143 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.972 -15.544 -11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.494 -15.927 -10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.382 -12.642 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.825 -12.296 -9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.104 -13.151 -9.895 1.00 0.00 H new ATOM 572 N GLY A 39 1.969 -16.008 -9.224 1.00 0.00 N ATOM 573 CA GLY A 39 3.230 -16.241 -9.925 1.00 0.00 C ATOM 574 C GLY A 39 4.051 -14.954 -10.075 1.00 0.00 C ATOM 575 O GLY A 39 5.178 -14.986 -10.571 1.00 0.00 O ATOM 0 H GLY A 39 2.050 -15.453 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.815 -16.983 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.025 -16.657 -10.911 1.00 0.00 H new ATOM 579 N TYR A 40 3.489 -13.818 -9.647 1.00 0.00 N ATOM 580 CA TYR A 40 4.197 -12.543 -9.751 1.00 0.00 C ATOM 581 C TYR A 40 5.510 -12.595 -8.974 1.00 0.00 C ATOM 582 O TYR A 40 5.518 -12.710 -7.749 1.00 0.00 O ATOM 583 CB TYR A 40 3.338 -11.408 -9.191 1.00 0.00 C ATOM 584 CG TYR A 40 2.227 -11.087 -10.161 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.009 -11.776 -10.083 1.00 0.00 C ATOM 586 CD2 TYR A 40 2.414 -10.102 -11.138 1.00 0.00 C ATOM 587 CE1 TYR A 40 -0.020 -11.480 -10.984 1.00 0.00 C ATOM 588 CE2 TYR A 40 1.383 -9.807 -12.039 1.00 0.00 C ATOM 589 CZ TYR A 40 0.166 -10.495 -11.962 1.00 0.00 C ATOM 590 OH TYR A 40 -0.850 -10.205 -12.851 1.00 0.00 O ATOM 0 H TYR A 40 2.559 -13.757 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 40 4.404 -12.360 -10.805 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.920 -11.697 -8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.952 -10.524 -9.020 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.865 -12.535 -9.328 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.352 -9.570 -11.197 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.958 -12.012 -10.925 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.527 -9.048 -12.794 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.684 -9.332 -13.265 1.00 0.00 H new ATOM 600 N ASP A 41 6.620 -12.511 -9.702 1.00 0.00 N ATOM 601 CA ASP A 41 7.934 -12.552 -9.066 1.00 0.00 C ATOM 602 C ASP A 41 8.534 -11.152 -8.980 1.00 0.00 C ATOM 603 O ASP A 41 9.035 -10.746 -7.931 1.00 0.00 O ATOM 604 CB ASP A 41 8.888 -13.474 -9.838 1.00 0.00 C ATOM 605 CG ASP A 41 9.045 -12.995 -11.278 1.00 0.00 C ATOM 606 OD1 ASP A 41 8.128 -13.203 -12.055 1.00 0.00 O ATOM 607 OD2 ASP A 41 10.082 -12.428 -11.581 1.00 0.00 O ATOM 0 H ASP A 41 6.638 -12.416 -10.717 1.00 0.00 H new ATOM 0 HA ASP A 41 7.803 -12.946 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.861 -13.494 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.505 -14.494 -9.828 1.00 0.00 H new ATOM 612 N SER A 42 8.475 -10.411 -10.091 1.00 0.00 N ATOM 613 CA SER A 42 9.013 -9.044 -10.130 1.00 0.00 C ATOM 614 C SER A 42 9.080 -8.529 -11.567 1.00 0.00 C ATOM 615 O SER A 42 8.869 -7.347 -11.823 1.00 0.00 O ATOM 616 CB SER A 42 10.424 -8.982 -9.525 1.00 0.00 C ATOM 617 OG SER A 42 10.328 -8.641 -8.148 1.00 0.00 O ATOM 0 H SER A 42 8.064 -10.729 -10.969 1.00 0.00 H new ATOM 0 HA SER A 42 8.340 -8.420 -9.543 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.924 -9.944 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.027 -8.244 -10.054 1.00 0.00 H new ATOM 0 HG SER A 42 10.574 -7.700 -8.026 1.00 0.00 H new ATOM 623 N LEU A 43 9.394 -9.423 -12.497 1.00 0.00 N ATOM 624 CA LEU A 43 9.506 -9.037 -13.904 1.00 0.00 C ATOM 625 C LEU A 43 8.135 -8.741 -14.517 1.00 0.00 C ATOM 626 O LEU A 43 8.035 -8.035 -15.521 1.00 0.00 O ATOM 627 CB LEU A 43 10.186 -10.155 -14.711 1.00 0.00 C ATOM 628 CG LEU A 43 11.186 -9.564 -15.717 1.00 0.00 C ATOM 629 CD1 LEU A 43 10.466 -8.612 -16.678 1.00 0.00 C ATOM 630 CD2 LEU A 43 12.284 -8.801 -14.967 1.00 0.00 C ATOM 0 H LEU A 43 9.574 -10.409 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 43 10.109 -8.130 -13.945 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.702 -10.837 -14.035 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.433 -10.739 -15.239 1.00 0.00 H new ATOM 0 HG LEU A 43 11.634 -10.377 -16.289 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.184 -8.199 -17.387 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.694 -9.158 -17.220 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.008 -7.801 -16.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.991 -8.383 -15.684 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.835 -7.994 -14.387 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.807 -9.482 -14.296 1.00 0.00 H new ATOM 642 N ALA A 44 7.082 -9.292 -13.918 1.00 0.00 N ATOM 643 CA ALA A 44 5.732 -9.079 -14.437 1.00 0.00 C ATOM 644 C ALA A 44 5.088 -7.840 -13.819 1.00 0.00 C ATOM 645 O ALA A 44 4.690 -6.913 -14.526 1.00 0.00 O ATOM 646 CB ALA A 44 4.852 -10.294 -14.138 1.00 0.00 C ATOM 0 H ALA A 44 7.134 -9.880 -13.086 1.00 0.00 H new ATOM 0 HA ALA A 44 5.815 -8.934 -15.514 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.849 -10.122 -14.530 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.280 -11.178 -14.611 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.799 -10.448 -13.060 1.00 0.00 H new ATOM 652 N LEU A 45 4.972 -7.842 -12.495 1.00 0.00 N ATOM 653 CA LEU A 45 4.353 -6.720 -11.789 1.00 0.00 C ATOM 654 C LEU A 45 5.118 -5.418 -12.024 1.00 0.00 C ATOM 655 O LEU A 45 4.523 -4.343 -12.098 1.00 0.00 O ATOM 656 CB LEU A 45 4.294 -7.003 -10.285 1.00 0.00 C ATOM 657 CG LEU A 45 5.693 -7.366 -9.765 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.300 -6.159 -9.048 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.590 -8.544 -8.784 1.00 0.00 C ATOM 0 H LEU A 45 5.294 -8.599 -11.892 1.00 0.00 H new ATOM 0 HA LEU A 45 3.343 -6.606 -12.183 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.916 -6.128 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.600 -7.820 -10.087 1.00 0.00 H new ATOM 0 HG LEU A 45 6.328 -7.649 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.293 -6.416 -8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.377 -5.323 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.663 -5.876 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.584 -8.800 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.954 -8.264 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.159 -9.406 -9.294 1.00 0.00 H new ATOM 671 N MET A 46 6.439 -5.519 -12.134 1.00 0.00 N ATOM 672 CA MET A 46 7.266 -4.330 -12.354 1.00 0.00 C ATOM 673 C MET A 46 7.126 -3.814 -13.788 1.00 0.00 C ATOM 674 O MET A 46 7.395 -2.646 -14.063 1.00 0.00 O ATOM 675 CB MET A 46 8.739 -4.641 -12.085 1.00 0.00 C ATOM 676 CG MET A 46 9.530 -3.336 -11.966 1.00 0.00 C ATOM 677 SD MET A 46 9.546 -2.791 -10.241 1.00 0.00 S ATOM 678 CE MET A 46 10.288 -1.164 -10.524 1.00 0.00 C ATOM 0 H MET A 46 6.957 -6.396 -12.076 1.00 0.00 H new ATOM 0 HA MET A 46 6.918 -3.563 -11.662 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.836 -5.221 -11.167 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.145 -5.251 -12.892 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.550 -3.484 -12.321 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.081 -2.568 -12.596 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.393 -0.642 -9.573 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.270 -1.286 -10.981 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.648 -0.583 -11.188 1.00 0.00 H new ATOM 688 N GLU A 47 6.710 -4.689 -14.702 1.00 0.00 N ATOM 689 CA GLU A 47 6.550 -4.291 -16.099 1.00 0.00 C ATOM 690 C GLU A 47 5.297 -3.439 -16.278 1.00 0.00 C ATOM 691 O GLU A 47 5.368 -2.272 -16.668 1.00 0.00 O ATOM 692 CB GLU A 47 6.446 -5.524 -16.999 1.00 0.00 C ATOM 693 CG GLU A 47 6.707 -5.120 -18.451 1.00 0.00 C ATOM 694 CD GLU A 47 8.161 -4.685 -18.603 1.00 0.00 C ATOM 695 OE1 GLU A 47 9.033 -5.489 -18.318 1.00 0.00 O ATOM 696 OE2 GLU A 47 8.381 -3.554 -19.004 1.00 0.00 O ATOM 0 H GLU A 47 6.481 -5.663 -14.505 1.00 0.00 H new ATOM 0 HA GLU A 47 7.426 -3.707 -16.380 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.168 -6.278 -16.685 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.456 -5.972 -16.907 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.495 -5.957 -19.116 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.041 -4.307 -18.739 1.00 0.00 H new ATOM 703 N THR A 48 4.144 -4.040 -15.990 1.00 0.00 N ATOM 704 CA THR A 48 2.868 -3.338 -16.125 1.00 0.00 C ATOM 705 C THR A 48 2.839 -2.084 -15.256 1.00 0.00 C ATOM 706 O THR A 48 2.439 -1.011 -15.706 1.00 0.00 O ATOM 707 CB THR A 48 1.714 -4.253 -15.712 1.00 0.00 C ATOM 708 OG1 THR A 48 1.849 -5.507 -16.364 1.00 0.00 O ATOM 709 CG2 THR A 48 0.385 -3.610 -16.107 1.00 0.00 C ATOM 0 H THR A 48 4.066 -5.003 -15.664 1.00 0.00 H new ATOM 0 HA THR A 48 2.757 -3.050 -17.170 1.00 0.00 H new ATOM 0 HB THR A 48 1.736 -4.401 -14.632 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.111 -6.095 -16.099 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.437 -4.263 -15.812 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.283 -2.648 -15.604 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.360 -3.460 -17.186 1.00 0.00 H new ATOM 717 N ALA A 49 3.264 -2.232 -14.006 1.00 0.00 N ATOM 718 CA ALA A 49 3.279 -1.105 -13.076 1.00 0.00 C ATOM 719 C ALA A 49 4.210 -0.006 -13.581 1.00 0.00 C ATOM 720 O ALA A 49 3.890 1.181 -13.509 1.00 0.00 O ATOM 721 CB ALA A 49 3.751 -1.560 -11.694 1.00 0.00 C ATOM 0 H ALA A 49 3.600 -3.112 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 49 2.264 -0.715 -13.005 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.757 -0.709 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.075 -2.326 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.758 -1.970 -11.770 1.00 0.00 H new ATOM 727 N ALA A 50 5.369 -0.415 -14.097 1.00 0.00 N ATOM 728 CA ALA A 50 6.355 0.540 -14.614 1.00 0.00 C ATOM 729 C ALA A 50 5.721 1.485 -15.631 1.00 0.00 C ATOM 730 O ALA A 50 5.944 2.696 -15.599 1.00 0.00 O ATOM 731 CB ALA A 50 7.515 -0.200 -15.283 1.00 0.00 C ATOM 0 H ALA A 50 5.649 -1.393 -14.169 1.00 0.00 H new ATOM 0 HA ALA A 50 6.726 1.120 -13.769 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.238 0.523 -15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.000 -0.851 -14.555 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.135 -0.800 -16.110 1.00 0.00 H new ATOM 737 N ARG A 51 4.924 0.919 -16.531 1.00 0.00 N ATOM 738 CA ARG A 51 4.257 1.724 -17.549 1.00 0.00 C ATOM 739 C ARG A 51 3.244 2.660 -16.899 1.00 0.00 C ATOM 740 O ARG A 51 3.114 3.822 -17.283 1.00 0.00 O ATOM 741 CB ARG A 51 3.535 0.827 -18.555 1.00 0.00 C ATOM 742 CG ARG A 51 3.441 1.548 -19.902 1.00 0.00 C ATOM 743 CD ARG A 51 2.187 1.080 -20.644 1.00 0.00 C ATOM 744 NE ARG A 51 2.493 -0.061 -21.502 1.00 0.00 N ATOM 745 CZ ARG A 51 1.908 -0.201 -22.688 1.00 0.00 C ATOM 746 NH1 ARG A 51 2.272 0.554 -23.688 1.00 0.00 N ATOM 747 NH2 ARG A 51 0.970 -1.093 -22.851 1.00 0.00 N ATOM 0 H ARG A 51 4.725 -0.080 -16.577 1.00 0.00 H new ATOM 0 HA ARG A 51 5.015 2.309 -18.069 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.072 -0.114 -18.671 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.537 0.582 -18.190 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.404 2.626 -19.748 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.329 1.342 -20.500 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.414 0.805 -19.926 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.787 1.897 -21.245 1.00 0.00 H new ATOM 0 HE ARG A 51 3.165 -0.761 -21.187 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.005 1.251 -23.560 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.823 0.447 -24.598 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.686 -1.683 -22.069 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.521 -1.201 -23.761 1.00 0.00 H new ATOM 761 N LEU A 52 2.525 2.137 -15.909 1.00 0.00 N ATOM 762 CA LEU A 52 1.521 2.932 -15.207 1.00 0.00 C ATOM 763 C LEU A 52 2.116 3.646 -13.987 1.00 0.00 C ATOM 764 O LEU A 52 1.381 4.149 -13.137 1.00 0.00 O ATOM 765 CB LEU A 52 0.366 2.043 -14.745 1.00 0.00 C ATOM 766 CG LEU A 52 -0.920 2.870 -14.681 1.00 0.00 C ATOM 767 CD1 LEU A 52 -1.683 2.732 -16.000 1.00 0.00 C ATOM 768 CD2 LEU A 52 -1.795 2.364 -13.532 1.00 0.00 C ATOM 0 H LEU A 52 2.617 1.177 -15.577 1.00 0.00 H new ATOM 0 HA LEU A 52 1.157 3.683 -15.908 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.239 1.207 -15.432 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.588 1.620 -13.765 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.669 3.918 -14.514 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.599 3.321 -15.954 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.061 3.092 -16.820 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.934 1.684 -16.168 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.711 2.953 -13.486 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.045 1.316 -13.699 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.253 2.462 -12.591 1.00 0.00 H new ATOM 780 N GLU A 53 3.449 3.692 -13.903 1.00 0.00 N ATOM 781 CA GLU A 53 4.107 4.355 -12.775 1.00 0.00 C ATOM 782 C GLU A 53 4.377 5.834 -13.074 1.00 0.00 C ATOM 783 O GLU A 53 5.227 6.457 -12.438 1.00 0.00 O ATOM 784 CB GLU A 53 5.438 3.668 -12.455 1.00 0.00 C ATOM 785 CG GLU A 53 5.860 4.007 -11.022 1.00 0.00 C ATOM 786 CD GLU A 53 7.052 3.142 -10.625 1.00 0.00 C ATOM 787 OE1 GLU A 53 8.153 3.453 -11.052 1.00 0.00 O ATOM 788 OE2 GLU A 53 6.847 2.182 -9.901 1.00 0.00 O ATOM 0 H GLU A 53 4.084 3.285 -14.590 1.00 0.00 H new ATOM 0 HA GLU A 53 3.434 4.283 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.338 2.589 -12.570 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.205 3.994 -13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.122 5.062 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.029 3.837 -10.337 1.00 0.00 H new ATOM 795 N SER A 54 3.653 6.397 -14.042 1.00 0.00 N ATOM 796 CA SER A 54 3.841 7.801 -14.391 1.00 0.00 C ATOM 797 C SER A 54 2.825 8.671 -13.658 1.00 0.00 C ATOM 798 O SER A 54 3.137 9.778 -13.219 1.00 0.00 O ATOM 799 CB SER A 54 3.680 8.006 -15.897 1.00 0.00 C ATOM 800 OG SER A 54 4.643 7.218 -16.584 1.00 0.00 O ATOM 0 H SER A 54 2.943 5.910 -14.589 1.00 0.00 H new ATOM 0 HA SER A 54 4.849 8.090 -14.094 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.674 7.725 -16.208 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.809 9.059 -16.148 1.00 0.00 H new ATOM 0 HG SER A 54 4.541 7.346 -17.550 1.00 0.00 H new ATOM 806 N ARG A 55 1.604 8.156 -13.530 1.00 0.00 N ATOM 807 CA ARG A 55 0.546 8.895 -12.845 1.00 0.00 C ATOM 808 C ARG A 55 0.928 9.143 -11.389 1.00 0.00 C ATOM 809 O ARG A 55 0.670 10.212 -10.836 1.00 0.00 O ATOM 810 CB ARG A 55 -0.778 8.124 -12.899 1.00 0.00 C ATOM 811 CG ARG A 55 -0.611 6.748 -12.246 1.00 0.00 C ATOM 812 CD ARG A 55 -1.898 5.941 -12.428 1.00 0.00 C ATOM 813 NE ARG A 55 -3.035 6.641 -11.834 1.00 0.00 N ATOM 814 CZ ARG A 55 -3.287 6.555 -10.531 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.547 7.207 -9.677 1.00 0.00 N ATOM 816 NH2 ARG A 55 -4.276 5.817 -10.105 1.00 0.00 N ATOM 0 H ARG A 55 1.325 7.242 -13.886 1.00 0.00 H new ATOM 0 HA ARG A 55 0.421 9.851 -13.354 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.557 8.687 -12.385 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.099 8.008 -13.934 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.230 6.219 -12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.386 6.861 -11.185 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.081 5.774 -13.489 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.787 4.960 -11.966 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.644 7.204 -12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.774 7.784 -10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.742 7.140 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.855 5.306 -10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.469 5.751 -9.106 1.00 0.00 H new ATOM 830 N TYR A 56 1.554 8.141 -10.777 1.00 0.00 N ATOM 831 CA TYR A 56 1.977 8.258 -9.385 1.00 0.00 C ATOM 832 C TYR A 56 3.069 9.314 -9.259 1.00 0.00 C ATOM 833 O TYR A 56 3.012 10.190 -8.398 1.00 0.00 O ATOM 834 CB TYR A 56 2.511 6.919 -8.873 1.00 0.00 C ATOM 835 CG TYR A 56 1.420 5.878 -8.955 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.537 5.703 -7.882 1.00 0.00 C ATOM 837 CD2 TYR A 56 1.290 5.089 -10.104 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.476 4.738 -7.959 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.278 4.125 -10.181 1.00 0.00 C ATOM 840 CZ TYR A 56 -0.605 3.950 -9.109 1.00 0.00 C ATOM 841 OH TYR A 56 -1.603 2.999 -9.185 1.00 0.00 O ATOM 0 H TYR A 56 1.778 7.249 -11.217 1.00 0.00 H new ATOM 0 HA TYR A 56 1.113 8.550 -8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.371 6.608 -9.466 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.854 7.022 -7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.637 6.312 -6.995 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.971 5.224 -10.931 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.157 4.602 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.178 3.516 -11.068 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.553 2.541 -10.050 1.00 0.00 H new ATOM 851 N GLY A 57 4.060 9.224 -10.142 1.00 0.00 N ATOM 852 CA GLY A 57 5.164 10.181 -10.137 1.00 0.00 C ATOM 853 C GLY A 57 6.198 9.840 -9.067 1.00 0.00 C ATOM 854 O GLY A 57 6.938 10.709 -8.607 1.00 0.00 O ATOM 0 H GLY A 57 4.122 8.506 -10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.642 10.191 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.776 11.184 -9.962 1.00 0.00 H new ATOM 858 N VAL A 58 6.249 8.568 -8.673 1.00 0.00 N ATOM 859 CA VAL A 58 7.198 8.138 -7.663 1.00 0.00 C ATOM 860 C VAL A 58 8.312 7.311 -8.304 1.00 0.00 C ATOM 861 O VAL A 58 8.156 6.772 -9.400 1.00 0.00 O ATOM 862 CB VAL A 58 6.476 7.313 -6.589 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.824 6.078 -7.221 1.00 0.00 C ATOM 864 CG2 VAL A 58 7.471 6.871 -5.518 1.00 0.00 C ATOM 0 H VAL A 58 5.648 7.828 -9.037 1.00 0.00 H new ATOM 0 HA VAL A 58 7.642 9.017 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 58 5.703 7.932 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.315 5.500 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.102 6.393 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.591 5.461 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.952 6.286 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.251 6.262 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.921 7.749 -5.055 1.00 0.00 H new ATOM 874 N SER A 59 9.437 7.221 -7.604 1.00 0.00 N ATOM 875 CA SER A 59 10.577 6.458 -8.109 1.00 0.00 C ATOM 876 C SER A 59 11.643 6.292 -7.029 1.00 0.00 C ATOM 877 O SER A 59 12.839 6.237 -7.321 1.00 0.00 O ATOM 878 CB SER A 59 11.196 7.164 -9.316 1.00 0.00 C ATOM 879 OG SER A 59 11.916 8.306 -8.873 1.00 0.00 O ATOM 0 H SER A 59 9.586 7.660 -6.696 1.00 0.00 H new ATOM 0 HA SER A 59 10.214 5.474 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.861 6.484 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.416 7.461 -10.018 1.00 0.00 H new ATOM 0 HG SER A 59 12.316 8.760 -9.644 1.00 0.00 H new ATOM 885 N ILE A 60 11.199 6.213 -5.776 1.00 0.00 N ATOM 886 CA ILE A 60 12.130 6.056 -4.658 1.00 0.00 C ATOM 887 C ILE A 60 12.391 4.572 -4.336 1.00 0.00 C ATOM 888 O ILE A 60 13.543 4.186 -4.137 1.00 0.00 O ATOM 889 CB ILE A 60 11.610 6.759 -3.396 1.00 0.00 C ATOM 890 CG1 ILE A 60 11.151 8.179 -3.746 1.00 0.00 C ATOM 891 CG2 ILE A 60 12.734 6.836 -2.362 1.00 0.00 C ATOM 892 CD1 ILE A 60 10.485 8.816 -2.525 1.00 0.00 C ATOM 0 H ILE A 60 10.215 6.254 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 60 13.067 6.519 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 60 10.770 6.196 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 60 12.003 8.780 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.452 8.151 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 60 12.369 7.335 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.065 5.829 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 60 13.571 7.400 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.159 9.826 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.623 8.219 -2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.198 8.858 -1.702 1.00 0.00 H new ATOM 904 N PRO A 61 11.351 3.715 -4.272 1.00 0.00 N ATOM 905 CA PRO A 61 11.552 2.286 -3.962 1.00 0.00 C ATOM 906 C PRO A 61 11.981 1.472 -5.182 1.00 0.00 C ATOM 907 O PRO A 61 11.153 1.061 -5.994 1.00 0.00 O ATOM 908 CB PRO A 61 10.172 1.856 -3.487 1.00 0.00 C ATOM 909 CG PRO A 61 9.167 2.826 -4.096 1.00 0.00 C ATOM 910 CD PRO A 61 9.934 4.087 -4.499 1.00 0.00 C ATOM 0 HA PRO A 61 12.348 2.126 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.958 0.834 -3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.116 1.876 -2.399 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.680 2.380 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.383 3.067 -3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.750 4.353 -5.540 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.642 4.945 -3.894 1.00 0.00 H new ATOM 918 N ASP A 62 13.287 1.245 -5.296 1.00 0.00 N ATOM 919 CA ASP A 62 13.821 0.479 -6.419 1.00 0.00 C ATOM 920 C ASP A 62 14.107 -0.959 -5.997 1.00 0.00 C ATOM 921 O ASP A 62 13.853 -1.903 -6.746 1.00 0.00 O ATOM 922 CB ASP A 62 15.118 1.110 -6.930 1.00 0.00 C ATOM 923 CG ASP A 62 14.791 2.347 -7.759 1.00 0.00 C ATOM 924 OD1 ASP A 62 14.299 3.306 -7.188 1.00 0.00 O ATOM 925 OD2 ASP A 62 15.039 2.318 -8.953 1.00 0.00 O ATOM 0 H ASP A 62 13.988 1.576 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 62 13.074 0.485 -7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.758 1.381 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.671 0.391 -7.534 1.00 0.00 H new ATOM 930 N ASP A 63 14.642 -1.114 -4.791 1.00 0.00 N ATOM 931 CA ASP A 63 14.967 -2.442 -4.277 1.00 0.00 C ATOM 932 C ASP A 63 13.752 -3.073 -3.605 1.00 0.00 C ATOM 933 O ASP A 63 13.411 -4.227 -3.867 1.00 0.00 O ATOM 934 CB ASP A 63 16.111 -2.358 -3.265 1.00 0.00 C ATOM 935 CG ASP A 63 17.368 -1.842 -3.957 1.00 0.00 C ATOM 936 OD1 ASP A 63 17.608 -2.246 -5.083 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.070 -1.049 -3.352 1.00 0.00 O ATOM 0 H ASP A 63 14.859 -0.346 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 63 15.272 -3.061 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.837 -1.695 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.299 -3.340 -2.831 1.00 0.00 H new ATOM 942 N VAL A 64 13.102 -2.309 -2.729 1.00 0.00 N ATOM 943 CA VAL A 64 11.926 -2.812 -2.021 1.00 0.00 C ATOM 944 C VAL A 64 10.821 -3.178 -3.015 1.00 0.00 C ATOM 945 O VAL A 64 10.185 -4.225 -2.901 1.00 0.00 O ATOM 946 CB VAL A 64 11.409 -1.762 -1.022 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.953 -0.500 -1.762 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.233 -2.341 -0.226 1.00 0.00 C ATOM 0 H VAL A 64 13.365 -1.352 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 64 12.214 -3.707 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 64 12.218 -1.499 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.590 0.233 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.792 -0.080 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.152 -0.755 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.869 -1.595 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.430 -2.614 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.563 -3.226 0.318 1.00 0.00 H new ATOM 958 N ALA A 65 10.609 -2.302 -3.991 1.00 0.00 N ATOM 959 CA ALA A 65 9.587 -2.540 -5.006 1.00 0.00 C ATOM 960 C ALA A 65 10.101 -3.523 -6.052 1.00 0.00 C ATOM 961 O ALA A 65 9.337 -4.302 -6.623 1.00 0.00 O ATOM 962 CB ALA A 65 9.199 -1.233 -5.699 1.00 0.00 C ATOM 0 H ALA A 65 11.125 -1.429 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 65 8.711 -2.957 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.436 -1.433 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.807 -0.533 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.077 -0.801 -6.178 1.00 0.00 H new ATOM 968 N GLY A 66 11.409 -3.479 -6.294 1.00 0.00 N ATOM 969 CA GLY A 66 12.024 -4.372 -7.272 1.00 0.00 C ATOM 970 C GLY A 66 11.842 -5.834 -6.872 1.00 0.00 C ATOM 971 O GLY A 66 11.846 -6.725 -7.721 1.00 0.00 O ATOM 0 H GLY A 66 12.057 -2.842 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.581 -4.202 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.087 -4.145 -7.359 1.00 0.00 H new ATOM 975 N ARG A 67 11.687 -6.076 -5.571 1.00 0.00 N ATOM 976 CA ARG A 67 11.509 -7.438 -5.078 1.00 0.00 C ATOM 977 C ARG A 67 10.367 -7.497 -4.060 1.00 0.00 C ATOM 978 O ARG A 67 10.556 -7.880 -2.904 1.00 0.00 O ATOM 979 CB ARG A 67 12.800 -7.943 -4.426 1.00 0.00 C ATOM 980 CG ARG A 67 13.754 -8.452 -5.508 1.00 0.00 C ATOM 981 CD ARG A 67 15.029 -8.986 -4.854 1.00 0.00 C ATOM 982 NE ARG A 67 15.802 -9.781 -5.804 1.00 0.00 N ATOM 983 CZ ARG A 67 16.275 -10.979 -5.470 1.00 0.00 C ATOM 984 NH1 ARG A 67 15.511 -12.033 -5.572 1.00 0.00 N ATOM 985 NH2 ARG A 67 17.500 -11.102 -5.039 1.00 0.00 N ATOM 0 H ARG A 67 11.681 -5.356 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 67 11.262 -8.075 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.272 -7.140 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.575 -8.742 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.274 -9.239 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.998 -7.647 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.633 -8.155 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.772 -9.595 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 67 15.982 -9.412 -6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.552 -11.938 -5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.873 -12.952 -5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.097 -10.279 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.861 -12.021 -4.783 1.00 0.00 H new ATOM 999 N VAL A 68 9.174 -7.115 -4.510 1.00 0.00 N ATOM 1000 CA VAL A 68 8.002 -7.130 -3.639 1.00 0.00 C ATOM 1001 C VAL A 68 7.433 -8.549 -3.554 1.00 0.00 C ATOM 1002 O VAL A 68 7.322 -9.248 -4.561 1.00 0.00 O ATOM 1003 CB VAL A 68 6.933 -6.157 -4.166 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.479 -6.585 -5.566 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.725 -6.137 -3.218 1.00 0.00 C ATOM 0 H VAL A 68 8.994 -6.795 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 68 8.300 -6.809 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 68 7.365 -5.157 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.722 -5.891 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.333 -6.580 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.058 -7.589 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.974 -5.445 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.297 -7.137 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.045 -5.814 -2.227 1.00 0.00 H new ATOM 1015 N ASP A 69 7.091 -8.969 -2.339 1.00 0.00 N ATOM 1016 CA ASP A 69 6.552 -10.312 -2.132 1.00 0.00 C ATOM 1017 C ASP A 69 5.095 -10.268 -1.674 1.00 0.00 C ATOM 1018 O ASP A 69 4.349 -11.230 -1.858 1.00 0.00 O ATOM 1019 CB ASP A 69 7.378 -11.057 -1.081 1.00 0.00 C ATOM 1020 CG ASP A 69 8.601 -11.681 -1.744 1.00 0.00 C ATOM 1021 OD1 ASP A 69 9.381 -10.939 -2.319 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.739 -12.890 -1.668 1.00 0.00 O ATOM 0 H ASP A 69 7.176 -8.408 -1.492 1.00 0.00 H new ATOM 0 HA ASP A 69 6.603 -10.833 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.689 -10.370 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.773 -11.831 -0.609 1.00 0.00 H new ATOM 1027 N THR A 70 4.693 -9.152 -1.068 1.00 0.00 N ATOM 1028 CA THR A 70 3.319 -9.019 -0.589 1.00 0.00 C ATOM 1029 C THR A 70 2.548 -7.998 -1.435 1.00 0.00 C ATOM 1030 O THR A 70 3.145 -7.102 -2.031 1.00 0.00 O ATOM 1031 CB THR A 70 3.301 -8.573 0.877 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.492 -7.852 1.165 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.213 -9.799 1.786 1.00 0.00 C ATOM 0 H THR A 70 5.287 -8.340 -0.899 1.00 0.00 H new ATOM 0 HA THR A 70 2.839 -9.994 -0.676 1.00 0.00 H new ATOM 0 HB THR A 70 2.436 -7.933 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.641 -7.841 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.200 -9.479 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.300 -10.351 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.076 -10.442 1.614 1.00 0.00 H new ATOM 1041 N PRO A 71 1.209 -8.120 -1.498 1.00 0.00 N ATOM 1042 CA PRO A 71 0.374 -7.190 -2.280 1.00 0.00 C ATOM 1043 C PRO A 71 0.086 -5.897 -1.523 1.00 0.00 C ATOM 1044 O PRO A 71 0.403 -4.805 -1.990 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.900 -7.994 -2.492 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.968 -9.027 -1.373 1.00 0.00 C ATOM 1047 CD PRO A 71 0.444 -9.179 -0.800 1.00 0.00 C ATOM 0 HA PRO A 71 0.853 -6.865 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.774 -7.344 -2.470 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.890 -8.482 -3.467 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.664 -8.707 -0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.332 -9.981 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.457 -9.039 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.854 -10.169 -0.998 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.519 -6.035 -0.344 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.840 -4.865 0.477 1.00 0.00 C ATOM 1057 C ARG A 72 0.420 -4.052 0.786 1.00 0.00 C ATOM 1058 O ARG A 72 0.354 -2.841 1.002 1.00 0.00 O ATOM 1059 CB ARG A 72 -1.477 -5.294 1.799 1.00 0.00 C ATOM 1060 CG ARG A 72 -2.030 -4.065 2.524 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.488 -4.462 3.928 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.661 -3.688 4.325 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.785 -4.294 4.699 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.225 -5.323 4.028 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -5.446 -3.859 5.738 1.00 0.00 N ATOM 0 H ARG A 72 -0.794 -6.930 0.061 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.540 -4.251 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.277 -6.010 1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.739 -5.796 2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.265 -3.291 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.865 -3.644 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.723 -5.526 3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.679 -4.298 4.640 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.618 -2.669 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.707 -5.662 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.087 -5.788 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.101 -3.055 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.308 -4.323 6.025 1.00 0.00 H new ATOM 1079 N GLU A 73 1.567 -4.731 0.812 1.00 0.00 N ATOM 1080 CA GLU A 73 2.832 -4.058 1.103 1.00 0.00 C ATOM 1081 C GLU A 73 3.170 -3.051 0.010 1.00 0.00 C ATOM 1082 O GLU A 73 3.683 -1.971 0.285 1.00 0.00 O ATOM 1083 CB GLU A 73 3.973 -5.073 1.217 1.00 0.00 C ATOM 1084 CG GLU A 73 5.236 -4.369 1.723 1.00 0.00 C ATOM 1085 CD GLU A 73 5.218 -4.319 3.247 1.00 0.00 C ATOM 1086 OE1 GLU A 73 4.155 -4.087 3.800 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.267 -4.513 3.839 1.00 0.00 O ATOM 0 H GLU A 73 1.646 -5.733 0.638 1.00 0.00 H new ATOM 0 HA GLU A 73 2.717 -3.536 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.693 -5.875 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.164 -5.532 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.123 -4.899 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.289 -3.359 1.317 1.00 0.00 H new ATOM 1094 N LEU A 74 2.880 -3.414 -1.233 1.00 0.00 N ATOM 1095 CA LEU A 74 3.160 -2.523 -2.355 1.00 0.00 C ATOM 1096 C LEU A 74 2.343 -1.237 -2.226 1.00 0.00 C ATOM 1097 O LEU A 74 2.769 -0.167 -2.663 1.00 0.00 O ATOM 1098 CB LEU A 74 2.812 -3.206 -3.680 1.00 0.00 C ATOM 1099 CG LEU A 74 3.684 -2.631 -4.799 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.965 -3.459 -4.926 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.915 -2.681 -6.121 1.00 0.00 C ATOM 0 H LEU A 74 2.457 -4.306 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 74 4.223 -2.283 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.970 -4.281 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.758 -3.055 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 74 3.940 -1.598 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.586 -3.049 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.514 -3.426 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.709 -4.492 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.535 -2.272 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.659 -3.715 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.002 -2.092 -6.033 1.00 0.00 H new ATOM 1113 N LEU A 75 1.161 -1.356 -1.622 1.00 0.00 N ATOM 1114 CA LEU A 75 0.282 -0.202 -1.438 1.00 0.00 C ATOM 1115 C LEU A 75 0.855 0.753 -0.395 1.00 0.00 C ATOM 1116 O LEU A 75 0.934 1.951 -0.628 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.118 -0.673 -1.006 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.064 0.517 -0.769 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.879 0.795 -2.032 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.021 0.178 0.374 1.00 0.00 C ATOM 0 H LEU A 75 0.792 -2.233 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 75 0.206 0.329 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.537 -1.325 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.039 -1.264 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.474 1.398 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.546 1.639 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.205 1.031 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.468 -0.086 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.694 1.018 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.603 -0.705 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.449 -0.021 1.280 1.00 0.00 H new ATOM 1132 N ASP A 76 1.233 0.225 0.761 1.00 0.00 N ATOM 1133 CA ASP A 76 1.778 1.081 1.816 1.00 0.00 C ATOM 1134 C ASP A 76 3.130 1.673 1.418 1.00 0.00 C ATOM 1135 O ASP A 76 3.563 2.692 1.958 1.00 0.00 O ATOM 1136 CB ASP A 76 1.924 0.303 3.130 1.00 0.00 C ATOM 1137 CG ASP A 76 2.886 -0.874 2.986 1.00 0.00 C ATOM 1138 OD1 ASP A 76 3.938 -0.703 2.394 1.00 0.00 O ATOM 1139 OD2 ASP A 76 2.561 -1.929 3.499 1.00 0.00 O ATOM 0 H ASP A 76 1.177 -0.767 0.993 1.00 0.00 H new ATOM 0 HA ASP A 76 1.073 1.899 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.283 0.973 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.947 -0.062 3.447 1.00 0.00 H new ATOM 1144 N LEU A 77 3.794 1.015 0.479 1.00 0.00 N ATOM 1145 CA LEU A 77 5.106 1.461 0.016 1.00 0.00 C ATOM 1146 C LEU A 77 4.997 2.704 -0.868 1.00 0.00 C ATOM 1147 O LEU A 77 5.459 3.783 -0.500 1.00 0.00 O ATOM 1148 CB LEU A 77 5.787 0.345 -0.786 1.00 0.00 C ATOM 1149 CG LEU A 77 7.301 0.354 -0.540 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.893 1.720 -0.904 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.585 0.049 0.933 1.00 0.00 C ATOM 0 H LEU A 77 3.449 0.171 0.021 1.00 0.00 H new ATOM 0 HA LEU A 77 5.697 1.708 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.372 -0.622 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.584 0.477 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 77 7.763 -0.409 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.968 1.710 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.703 1.930 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.429 2.493 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.661 0.056 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.113 0.806 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.184 -0.933 1.185 1.00 0.00 H new ATOM 1163 N ILE A 78 4.396 2.535 -2.044 1.00 0.00 N ATOM 1164 CA ILE A 78 4.250 3.651 -2.984 1.00 0.00 C ATOM 1165 C ILE A 78 3.395 4.765 -2.379 1.00 0.00 C ATOM 1166 O ILE A 78 3.712 5.948 -2.500 1.00 0.00 O ATOM 1167 CB ILE A 78 3.605 3.169 -4.291 1.00 0.00 C ATOM 1168 CG1 ILE A 78 4.432 2.021 -4.876 1.00 0.00 C ATOM 1169 CG2 ILE A 78 3.558 4.319 -5.304 1.00 0.00 C ATOM 1170 CD1 ILE A 78 3.527 1.110 -5.708 1.00 0.00 C ATOM 0 H ILE A 78 4.006 1.650 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 78 5.245 4.043 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 78 2.591 2.826 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.236 2.417 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.900 1.451 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.099 3.970 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.970 5.141 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.571 4.665 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.117 0.293 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.739 0.703 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.080 1.684 -6.519 1.00 0.00 H new ATOM 1182 N ASN A 79 2.304 4.368 -1.736 1.00 0.00 N ATOM 1183 CA ASN A 79 1.391 5.328 -1.115 1.00 0.00 C ATOM 1184 C ASN A 79 2.115 6.172 -0.070 1.00 0.00 C ATOM 1185 O ASN A 79 1.761 7.326 0.171 1.00 0.00 O ATOM 1186 CB ASN A 79 0.230 4.584 -0.452 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.907 5.545 -0.127 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.740 6.765 -0.175 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.070 5.057 0.202 1.00 0.00 N ATOM 0 H ASN A 79 2.028 3.392 -1.629 1.00 0.00 H new ATOM 0 HA ASN A 79 1.010 5.989 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.130 3.797 -1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.576 4.099 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.843 5.685 0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.207 4.047 0.241 1.00 0.00 H new ATOM 1196 N GLY A 80 3.136 5.584 0.549 1.00 0.00 N ATOM 1197 CA GLY A 80 3.906 6.292 1.568 1.00 0.00 C ATOM 1198 C GLY A 80 4.969 7.185 0.931 1.00 0.00 C ATOM 1199 O GLY A 80 5.368 8.200 1.502 1.00 0.00 O ATOM 0 H GLY A 80 3.447 4.630 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.237 6.897 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.382 5.572 2.234 1.00 0.00 H new ATOM 1203 N ALA A 81 5.427 6.796 -0.257 1.00 0.00 N ATOM 1204 CA ALA A 81 6.449 7.569 -0.960 1.00 0.00 C ATOM 1205 C ALA A 81 5.909 8.937 -1.361 1.00 0.00 C ATOM 1206 O ALA A 81 6.478 9.972 -1.016 1.00 0.00 O ATOM 1207 CB ALA A 81 6.907 6.829 -2.218 1.00 0.00 C ATOM 0 H ALA A 81 5.111 5.960 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 81 7.294 7.698 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.668 7.418 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.324 5.861 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.056 6.680 -2.882 1.00 0.00 H new ATOM 1213 N LEU A 82 4.801 8.929 -2.098 1.00 0.00 N ATOM 1214 CA LEU A 82 4.187 10.175 -2.549 1.00 0.00 C ATOM 1215 C LEU A 82 3.767 11.027 -1.355 1.00 0.00 C ATOM 1216 O LEU A 82 3.823 12.255 -1.402 1.00 0.00 O ATOM 1217 CB LEU A 82 2.959 9.880 -3.412 1.00 0.00 C ATOM 1218 CG LEU A 82 3.389 9.124 -4.670 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.233 8.251 -5.160 1.00 0.00 C ATOM 1220 CD2 LEU A 82 3.767 10.126 -5.762 1.00 0.00 C ATOM 0 H LEU A 82 4.314 8.083 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 82 4.923 10.721 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.238 9.288 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.462 10.811 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 82 4.248 8.495 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.539 7.712 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.961 7.537 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.374 8.881 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.074 9.588 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.907 10.755 -5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.590 10.750 -5.414 1.00 0.00 H new ATOM 1232 N ALA A 83 3.351 10.358 -0.284 1.00 0.00 N ATOM 1233 CA ALA A 83 2.928 11.062 0.923 1.00 0.00 C ATOM 1234 C ALA A 83 4.103 11.823 1.531 1.00 0.00 C ATOM 1235 O ALA A 83 3.931 12.889 2.124 1.00 0.00 O ATOM 1236 CB ALA A 83 2.384 10.074 1.957 1.00 0.00 C ATOM 0 H ALA A 83 3.298 9.341 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 83 2.142 11.765 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.073 10.616 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.529 9.544 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.162 9.357 2.220 1.00 0.00 H new ATOM 1242 N GLU A 84 5.300 11.263 1.374 1.00 0.00 N ATOM 1243 CA GLU A 84 6.504 11.895 1.908 1.00 0.00 C ATOM 1244 C GLU A 84 7.328 12.509 0.780 1.00 0.00 C ATOM 1245 O GLU A 84 8.557 12.552 0.841 1.00 0.00 O ATOM 1246 CB GLU A 84 7.359 10.867 2.650 1.00 0.00 C ATOM 1247 CG GLU A 84 6.659 10.465 3.949 1.00 0.00 C ATOM 1248 CD GLU A 84 6.883 11.543 5.004 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.016 11.703 5.429 1.00 0.00 O ATOM 1250 OE2 GLU A 84 5.918 12.194 5.373 1.00 0.00 O ATOM 0 H GLU A 84 5.462 10.382 0.887 1.00 0.00 H new ATOM 0 HA GLU A 84 6.197 12.679 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.518 9.990 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.342 11.285 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.592 10.330 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.047 9.510 4.302 1.00 0.00 H new ATOM 1257 N ALA A 85 6.635 12.987 -0.251 1.00 0.00 N ATOM 1258 CA ALA A 85 7.307 13.601 -1.393 1.00 0.00 C ATOM 1259 C ALA A 85 7.047 15.105 -1.419 1.00 0.00 C ATOM 1260 O ALA A 85 7.964 15.905 -1.601 1.00 0.00 O ATOM 1261 CB ALA A 85 6.807 12.988 -2.703 1.00 0.00 C ATOM 0 H ALA A 85 5.618 12.962 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 85 8.377 13.417 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.319 13.458 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.012 11.918 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.733 13.152 -2.795 1.00 0.00 H new ATOM 1267 N ALA A 86 5.783 15.478 -1.237 1.00 0.00 N ATOM 1268 CA ALA A 86 5.408 16.890 -1.241 1.00 0.00 C ATOM 1269 C ALA A 86 5.390 17.439 0.182 1.00 0.00 C ATOM 1270 O ALA A 86 5.086 16.678 1.085 1.00 0.00 O ATOM 1271 CB ALA A 86 4.023 17.076 -1.863 1.00 0.00 C ATOM 1272 OXT ALA A 86 5.680 18.613 0.347 1.00 0.00 O ATOM 0 H ALA A 86 5.009 14.831 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 86 6.146 17.432 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.761 18.134 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.033 16.710 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.287 16.517 -1.286 1.00 0.00 H new