USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 73 GLN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -1.66 K(o=-1.6,f=-8.5!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.0402 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= -0.187 USER MOD Set 3.2: A 27 SER OG : rot -63:sc= 1.2 USER MOD Single : A 4 THR OG1 : rot 143:sc= 0.453 USER MOD Single : A 10 THR OG1 : rot 80:sc= 0.758 USER MOD Single : A 15 THR OG1 : rot -78:sc= -0.473! USER MOD Single : A 16 CYS SG : rot 79:sc= -3.59! USER MOD Single : A 22 THR OG1 : rot 5:sc= 0.572 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 1.03 (180deg=0.941) USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.629 USER MOD Single : A 62 GLN : amide:sc= 0.216 X(o=0.22,f=-0.062) USER MOD Single : A 65 ASN : amide:sc=-0.00319 K(o=-0.0032,f=-0.58) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.0415 (180deg=-0.307) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.955 11.090 3.427 1.00 0.00 N ATOM 46 CA THR A 4 1.048 9.937 2.519 1.00 0.00 C ATOM 47 C THR A 4 -0.087 8.917 2.799 1.00 0.00 C ATOM 48 O THR A 4 -0.569 8.273 1.879 1.00 0.00 O ATOM 49 CB THR A 4 2.451 9.250 2.647 1.00 0.00 C ATOM 50 OG1 THR A 4 3.475 10.217 2.375 1.00 0.00 O ATOM 51 CG2 THR A 4 2.641 8.058 1.689 1.00 0.00 C ATOM 0 HA THR A 4 0.932 10.299 1.497 1.00 0.00 H new ATOM 0 HB THR A 4 2.517 8.864 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.243 10.054 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.634 7.631 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.886 7.300 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.538 8.399 0.659 1.00 0.00 H new ATOM 59 N PHE A 5 -0.568 8.872 4.066 1.00 0.00 N ATOM 60 CA PHE A 5 -1.589 7.890 4.495 1.00 0.00 C ATOM 61 C PHE A 5 -2.944 8.103 3.791 1.00 0.00 C ATOM 62 O PHE A 5 -3.443 7.184 3.138 1.00 0.00 O ATOM 63 CB PHE A 5 -1.794 7.895 6.037 1.00 0.00 C ATOM 64 CG PHE A 5 -2.933 6.969 6.488 1.00 0.00 C ATOM 65 CD1 PHE A 5 -2.811 5.581 6.383 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.144 7.484 6.960 1.00 0.00 C ATOM 67 CE1 PHE A 5 -3.854 4.753 6.730 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.183 6.646 7.314 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.037 5.281 7.195 1.00 0.00 C ATOM 0 H PHE A 5 -0.264 9.505 4.806 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.201 6.916 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.868 7.588 6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.006 8.912 6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.887 5.153 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.269 8.553 7.049 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.744 3.683 6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.109 7.060 7.684 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.851 4.625 7.467 1.00 0.00 H new ATOM 79 N ASP A 6 -3.525 9.307 3.958 1.00 0.00 N ATOM 80 CA ASP A 6 -4.891 9.637 3.455 1.00 0.00 C ATOM 81 C ASP A 6 -4.985 9.480 1.926 1.00 0.00 C ATOM 82 O ASP A 6 -6.055 9.171 1.390 1.00 0.00 O ATOM 83 CB ASP A 6 -5.310 11.068 3.889 1.00 0.00 C ATOM 84 CG ASP A 6 -4.287 12.151 3.525 1.00 0.00 C ATOM 85 OD1 ASP A 6 -4.188 12.536 2.334 1.00 0.00 O ATOM 86 OD2 ASP A 6 -3.586 12.632 4.438 1.00 0.00 O ATOM 0 H ASP A 6 -3.071 10.081 4.442 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.585 8.926 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.265 11.313 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.468 11.079 4.967 1.00 0.00 H new ATOM 91 N ARG A 7 -3.851 9.702 1.250 1.00 0.00 N ATOM 92 CA ARG A 7 -3.702 9.488 -0.190 1.00 0.00 C ATOM 93 C ARG A 7 -3.854 7.993 -0.539 1.00 0.00 C ATOM 94 O ARG A 7 -4.639 7.629 -1.420 1.00 0.00 O ATOM 95 CB ARG A 7 -2.323 10.008 -0.650 1.00 0.00 C ATOM 96 CG ARG A 7 -2.124 11.530 -0.517 1.00 0.00 C ATOM 97 CD ARG A 7 -3.106 12.312 -1.400 1.00 0.00 C ATOM 98 NE ARG A 7 -2.921 13.771 -1.315 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.769 14.680 -1.825 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.898 14.308 -2.426 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.497 15.964 -1.693 1.00 0.00 N ATOM 0 H ARG A 7 -2.999 10.041 1.698 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.486 10.038 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.550 9.504 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.175 9.727 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.257 11.824 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.102 11.789 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.985 11.996 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.126 12.063 -1.108 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.090 14.116 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.131 13.318 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.529 15.013 -2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.650 16.259 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.134 16.662 -2.076 1.00 0.00 H new ATOM 115 N VAL A 8 -3.089 7.139 0.170 1.00 0.00 N ATOM 116 CA VAL A 8 -3.163 5.666 0.017 1.00 0.00 C ATOM 117 C VAL A 8 -4.566 5.140 0.390 1.00 0.00 C ATOM 118 O VAL A 8 -5.082 4.225 -0.245 1.00 0.00 O ATOM 119 CB VAL A 8 -2.075 4.932 0.888 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.125 3.395 0.682 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.662 5.471 0.585 1.00 0.00 C ATOM 0 H VAL A 8 -2.405 7.445 0.862 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.967 5.448 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.304 5.140 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.361 2.920 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.107 3.021 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.942 3.162 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.068 4.946 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.430 5.312 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.624 6.537 0.807 1.00 0.00 H new ATOM 131 N ALA A 9 -5.179 5.771 1.409 1.00 0.00 N ATOM 132 CA ALA A 9 -6.519 5.409 1.913 1.00 0.00 C ATOM 133 C ALA A 9 -7.580 5.668 0.822 1.00 0.00 C ATOM 134 O ALA A 9 -8.480 4.853 0.607 1.00 0.00 O ATOM 135 CB ALA A 9 -6.847 6.198 3.195 1.00 0.00 C ATOM 0 H ALA A 9 -4.756 6.552 1.910 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.527 4.348 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.838 5.918 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.108 5.969 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.828 7.266 2.980 1.00 0.00 H new ATOM 141 N THR A 10 -7.446 6.829 0.149 1.00 0.00 N ATOM 142 CA THR A 10 -8.230 7.205 -1.046 1.00 0.00 C ATOM 143 C THR A 10 -8.118 6.135 -2.153 1.00 0.00 C ATOM 144 O THR A 10 -9.131 5.715 -2.731 1.00 0.00 O ATOM 145 CB THR A 10 -7.740 8.594 -1.587 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.031 9.623 -0.629 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.337 8.975 -2.955 1.00 0.00 C ATOM 0 H THR A 10 -6.776 7.546 0.427 1.00 0.00 H new ATOM 0 HA THR A 10 -9.278 7.276 -0.756 1.00 0.00 H new ATOM 0 HB THR A 10 -6.664 8.500 -1.735 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.355 9.610 0.080 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.951 9.947 -3.262 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.060 8.224 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.423 9.024 -2.877 1.00 0.00 H new ATOM 155 N ILE A 11 -6.870 5.700 -2.413 1.00 0.00 N ATOM 156 CA ILE A 11 -6.559 4.687 -3.433 1.00 0.00 C ATOM 157 C ILE A 11 -7.312 3.379 -3.140 1.00 0.00 C ATOM 158 O ILE A 11 -8.123 2.953 -3.947 1.00 0.00 O ATOM 159 CB ILE A 11 -5.006 4.414 -3.521 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.227 5.690 -3.987 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.689 3.192 -4.422 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.620 6.221 -5.353 1.00 0.00 C ATOM 0 H ILE A 11 -6.048 6.045 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.887 5.077 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.662 4.170 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.379 6.479 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.161 5.463 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.611 3.036 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.171 2.304 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.062 3.376 -5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.025 7.104 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.440 5.454 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.677 6.486 -5.350 1.00 0.00 H new ATOM 174 N ILE A 12 -7.068 2.815 -1.946 1.00 0.00 N ATOM 175 CA ILE A 12 -7.614 1.507 -1.509 1.00 0.00 C ATOM 176 C ILE A 12 -9.161 1.507 -1.527 1.00 0.00 C ATOM 177 O ILE A 12 -9.789 0.509 -1.897 1.00 0.00 O ATOM 178 CB ILE A 12 -7.080 1.149 -0.067 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.523 1.077 -0.073 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.699 -0.161 0.484 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.879 0.847 1.278 1.00 0.00 C ATOM 0 H ILE A 12 -6.477 3.257 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.274 0.747 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.394 1.946 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.216 0.275 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.135 2.007 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.299 -0.362 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.782 -0.055 0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.451 -0.988 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.796 0.813 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.147 1.660 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.230 -0.098 1.692 1.00 0.00 H new ATOM 193 N ALA A 13 -9.737 2.659 -1.150 1.00 0.00 N ATOM 194 CA ALA A 13 -11.192 2.880 -1.130 1.00 0.00 C ATOM 195 C ALA A 13 -11.824 2.669 -2.516 1.00 0.00 C ATOM 196 O ALA A 13 -12.836 1.985 -2.651 1.00 0.00 O ATOM 197 CB ALA A 13 -11.503 4.299 -0.621 1.00 0.00 C ATOM 0 H ALA A 13 -9.200 3.472 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.627 2.145 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.582 4.453 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.109 4.418 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.039 5.032 -1.281 1.00 0.00 H new ATOM 203 N GLU A 14 -11.233 3.292 -3.537 1.00 0.00 N ATOM 204 CA GLU A 14 -11.790 3.286 -4.902 1.00 0.00 C ATOM 205 C GLU A 14 -11.317 2.083 -5.762 1.00 0.00 C ATOM 206 O GLU A 14 -12.048 1.657 -6.660 1.00 0.00 O ATOM 207 CB GLU A 14 -11.490 4.654 -5.559 1.00 0.00 C ATOM 208 CG GLU A 14 -12.116 5.834 -4.777 1.00 0.00 C ATOM 209 CD GLU A 14 -11.799 7.216 -5.364 1.00 0.00 C ATOM 210 OE1 GLU A 14 -12.452 7.620 -6.349 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.892 7.906 -4.855 1.00 0.00 O ATOM 0 H GLU A 14 -10.361 3.813 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.869 3.146 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.411 4.795 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.872 4.655 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.198 5.703 -4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.763 5.800 -3.746 1.00 0.00 H new ATOM 218 N THR A 15 -10.118 1.524 -5.485 1.00 0.00 N ATOM 219 CA THR A 15 -9.572 0.360 -6.235 1.00 0.00 C ATOM 220 C THR A 15 -10.192 -0.952 -5.730 1.00 0.00 C ATOM 221 O THR A 15 -10.843 -1.682 -6.492 1.00 0.00 O ATOM 222 CB THR A 15 -8.010 0.276 -6.113 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.625 0.396 -4.737 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.289 1.351 -6.938 1.00 0.00 C ATOM 0 H THR A 15 -9.503 1.860 -4.744 1.00 0.00 H new ATOM 0 HA THR A 15 -9.831 0.504 -7.284 1.00 0.00 H new ATOM 0 HB THR A 15 -7.712 -0.694 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.657 1.338 -4.469 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.211 1.243 -6.814 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.547 1.235 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.596 2.339 -6.596 1.00 0.00 H new ATOM 232 N CYS A 16 -9.987 -1.230 -4.432 1.00 0.00 N ATOM 233 CA CYS A 16 -10.452 -2.455 -3.765 1.00 0.00 C ATOM 234 C CYS A 16 -11.946 -2.373 -3.388 1.00 0.00 C ATOM 235 O CYS A 16 -12.532 -3.388 -2.974 1.00 0.00 O ATOM 236 CB CYS A 16 -9.592 -2.701 -2.506 1.00 0.00 C ATOM 237 SG CYS A 16 -10.099 -4.117 -1.516 1.00 0.00 S ATOM 0 H CYS A 16 -9.485 -0.599 -3.807 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.343 -3.288 -4.459 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.555 -2.841 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.622 -1.808 -1.881 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.665 -5.211 -2.069 1.00 0.00 H new ATOM 243 N ASP A 17 -12.550 -1.172 -3.550 1.00 0.00 N ATOM 244 CA ASP A 17 -13.962 -0.912 -3.216 1.00 0.00 C ATOM 245 C ASP A 17 -14.203 -1.140 -1.706 1.00 0.00 C ATOM 246 O ASP A 17 -14.752 -2.161 -1.286 1.00 0.00 O ATOM 247 CB ASP A 17 -14.922 -1.745 -4.125 1.00 0.00 C ATOM 248 CG ASP A 17 -16.414 -1.510 -3.838 1.00 0.00 C ATOM 249 OD1 ASP A 17 -16.922 -0.403 -4.125 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.087 -2.424 -3.311 1.00 0.00 O ATOM 0 H ASP A 17 -12.064 -0.354 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.191 0.134 -3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.720 -1.502 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.700 -2.804 -3.996 1.00 0.00 H new ATOM 255 N ILE A 18 -13.677 -0.210 -0.897 1.00 0.00 N ATOM 256 CA ILE A 18 -13.805 -0.220 0.575 1.00 0.00 C ATOM 257 C ILE A 18 -14.343 1.154 1.039 1.00 0.00 C ATOM 258 O ILE A 18 -13.811 2.186 0.615 1.00 0.00 O ATOM 259 CB ILE A 18 -12.425 -0.523 1.299 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.814 -1.867 0.783 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.582 -0.537 2.853 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.528 -2.293 1.469 1.00 0.00 C ATOM 0 H ILE A 18 -13.142 0.584 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.495 -1.019 0.847 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.735 0.284 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.554 -2.657 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.624 -1.775 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.617 -0.748 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.942 0.435 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.297 -1.308 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.183 -3.235 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.766 -1.527 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.710 -2.423 2.536 1.00 0.00 H new ATOM 274 N PRO A 19 -15.438 1.191 1.872 1.00 0.00 N ATOM 275 CA PRO A 19 -15.883 2.423 2.566 1.00 0.00 C ATOM 276 C PRO A 19 -14.748 3.086 3.386 1.00 0.00 C ATOM 277 O PRO A 19 -14.011 2.396 4.103 1.00 0.00 O ATOM 278 CB PRO A 19 -17.023 1.916 3.492 1.00 0.00 C ATOM 279 CG PRO A 19 -17.561 0.715 2.787 1.00 0.00 C ATOM 280 CD PRO A 19 -16.359 0.053 2.151 1.00 0.00 C ATOM 0 HA PRO A 19 -16.201 3.198 1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.647 1.661 4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.793 2.676 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -18.059 0.040 3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.298 0.998 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.903 -0.677 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.630 -0.477 1.238 1.00 0.00 H new ATOM 288 N ARG A 20 -14.622 4.424 3.266 1.00 0.00 N ATOM 289 CA ARG A 20 -13.629 5.231 4.015 1.00 0.00 C ATOM 290 C ARG A 20 -13.819 5.089 5.548 1.00 0.00 C ATOM 291 O ARG A 20 -12.847 5.187 6.308 1.00 0.00 O ATOM 292 CB ARG A 20 -13.727 6.726 3.587 1.00 0.00 C ATOM 293 CG ARG A 20 -13.189 7.052 2.171 1.00 0.00 C ATOM 294 CD ARG A 20 -11.661 6.868 2.054 1.00 0.00 C ATOM 295 NE ARG A 20 -10.914 7.627 3.086 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.868 8.433 2.856 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.469 8.690 1.622 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.236 9.001 3.868 1.00 0.00 N ATOM 0 H ARG A 20 -15.208 4.980 2.644 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.635 4.855 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.772 7.033 3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.181 7.330 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.684 6.410 1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.447 8.080 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.419 5.809 2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.335 7.189 1.065 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.222 7.527 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.959 8.273 0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.671 9.305 1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.544 8.826 4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.440 9.614 3.693 1.00 0.00 H new ATOM 312 N GLU A 21 -15.077 4.837 5.974 1.00 0.00 N ATOM 313 CA GLU A 21 -15.436 4.618 7.394 1.00 0.00 C ATOM 314 C GLU A 21 -14.744 3.350 7.958 1.00 0.00 C ATOM 315 O GLU A 21 -14.365 3.307 9.135 1.00 0.00 O ATOM 316 CB GLU A 21 -16.985 4.507 7.538 1.00 0.00 C ATOM 317 CG GLU A 21 -17.617 3.323 6.774 1.00 0.00 C ATOM 318 CD GLU A 21 -19.143 3.237 6.903 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.633 2.830 7.976 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.861 3.589 5.944 1.00 0.00 O ATOM 0 H GLU A 21 -15.875 4.780 5.341 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.085 5.472 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.233 4.414 8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.437 5.434 7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.356 3.405 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.179 2.394 7.139 1.00 0.00 H new ATOM 327 N THR A 22 -14.570 2.331 7.084 1.00 0.00 N ATOM 328 CA THR A 22 -13.958 1.029 7.436 1.00 0.00 C ATOM 329 C THR A 22 -12.492 0.947 6.959 1.00 0.00 C ATOM 330 O THR A 22 -11.937 -0.143 6.795 1.00 0.00 O ATOM 331 CB THR A 22 -14.811 -0.153 6.850 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.983 0.000 5.427 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.196 -0.233 7.526 1.00 0.00 C ATOM 0 H THR A 22 -14.853 2.391 6.106 1.00 0.00 H new ATOM 0 HA THR A 22 -13.950 0.942 8.522 1.00 0.00 H new ATOM 0 HB THR A 22 -14.268 -1.077 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.468 0.774 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.762 -1.061 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.070 -0.394 8.597 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.736 0.699 7.361 1.00 0.00 H new ATOM 341 N ILE A 23 -11.875 2.113 6.738 1.00 0.00 N ATOM 342 CA ILE A 23 -10.429 2.237 6.505 1.00 0.00 C ATOM 343 C ILE A 23 -9.807 2.836 7.770 1.00 0.00 C ATOM 344 O ILE A 23 -10.288 3.862 8.264 1.00 0.00 O ATOM 345 CB ILE A 23 -10.118 3.144 5.255 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.625 2.444 3.957 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.608 3.505 5.161 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.391 3.223 2.682 1.00 0.00 C ATOM 0 H ILE A 23 -12.368 3.006 6.715 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.006 1.255 6.293 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.651 4.087 5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.134 1.475 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.693 2.253 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.437 4.131 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.307 4.046 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.020 2.591 5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.776 2.657 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.905 4.182 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.322 3.392 2.550 1.00 0.00 H new ATOM 360 N THR A 24 -8.762 2.178 8.296 1.00 0.00 N ATOM 361 CA THR A 24 -8.006 2.636 9.484 1.00 0.00 C ATOM 362 C THR A 24 -6.493 2.419 9.250 1.00 0.00 C ATOM 363 O THR A 24 -6.115 1.579 8.431 1.00 0.00 O ATOM 364 CB THR A 24 -8.455 1.876 10.791 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.508 0.464 10.548 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.817 2.357 11.316 1.00 0.00 C ATOM 0 H THR A 24 -8.410 1.303 7.908 1.00 0.00 H new ATOM 0 HA THR A 24 -8.215 3.696 9.626 1.00 0.00 H new ATOM 0 HB THR A 24 -7.711 2.097 11.556 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.786 0.001 11.366 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.077 1.801 12.216 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.762 3.420 11.550 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.579 2.192 10.555 1.00 0.00 H new ATOM 374 N PRO A 25 -5.593 3.189 9.940 1.00 0.00 N ATOM 375 CA PRO A 25 -4.133 2.914 9.921 1.00 0.00 C ATOM 376 C PRO A 25 -3.784 1.476 10.387 1.00 0.00 C ATOM 377 O PRO A 25 -2.870 0.844 9.857 1.00 0.00 O ATOM 378 CB PRO A 25 -3.554 3.975 10.889 1.00 0.00 C ATOM 379 CG PRO A 25 -4.557 5.088 10.871 1.00 0.00 C ATOM 380 CD PRO A 25 -5.904 4.414 10.732 1.00 0.00 C ATOM 0 HA PRO A 25 -3.721 2.975 8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.429 3.570 11.893 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.574 4.319 10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.506 5.678 11.786 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.372 5.770 10.041 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.333 4.167 11.703 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.623 5.053 10.219 1.00 0.00 H new ATOM 388 N GLU A 26 -4.568 0.972 11.359 1.00 0.00 N ATOM 389 CA GLU A 26 -4.324 -0.328 12.019 1.00 0.00 C ATOM 390 C GLU A 26 -4.755 -1.519 11.134 1.00 0.00 C ATOM 391 O GLU A 26 -4.263 -2.640 11.332 1.00 0.00 O ATOM 392 CB GLU A 26 -5.069 -0.371 13.383 1.00 0.00 C ATOM 393 CG GLU A 26 -6.611 -0.370 13.274 1.00 0.00 C ATOM 394 CD GLU A 26 -7.312 0.044 14.576 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.437 -0.792 15.493 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.712 1.223 14.696 1.00 0.00 O ATOM 0 H GLU A 26 -5.393 1.457 11.711 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.251 -0.422 12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.757 -1.264 13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.759 0.488 13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.911 0.309 12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.949 -1.366 12.989 1.00 0.00 H new ATOM 403 N SER A 27 -5.661 -1.270 10.159 1.00 0.00 N ATOM 404 CA SER A 27 -6.229 -2.342 9.323 1.00 0.00 C ATOM 405 C SER A 27 -5.163 -2.900 8.373 1.00 0.00 C ATOM 406 O SER A 27 -4.455 -2.141 7.703 1.00 0.00 O ATOM 407 CB SER A 27 -7.473 -1.854 8.537 1.00 0.00 C ATOM 408 OG SER A 27 -7.196 -0.746 7.703 1.00 0.00 O ATOM 0 H SER A 27 -6.010 -0.338 9.936 1.00 0.00 H new ATOM 0 HA SER A 27 -6.558 -3.144 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.857 -2.673 7.929 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.259 -1.584 9.242 1.00 0.00 H new ATOM 0 HG SER A 27 -6.921 0.017 8.253 1.00 0.00 H new ATOM 414 N HIS A 28 -5.027 -4.226 8.381 1.00 0.00 N ATOM 415 CA HIS A 28 -4.124 -4.963 7.490 1.00 0.00 C ATOM 416 C HIS A 28 -4.881 -5.285 6.197 1.00 0.00 C ATOM 417 O HIS A 28 -6.001 -5.786 6.269 1.00 0.00 O ATOM 418 CB HIS A 28 -3.651 -6.263 8.184 1.00 0.00 C ATOM 419 CG HIS A 28 -2.555 -7.003 7.460 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.763 -7.603 6.250 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.280 -7.227 7.843 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.624 -8.182 5.942 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.696 -7.984 6.881 1.00 0.00 N ATOM 0 H HIS A 28 -5.549 -4.830 9.016 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.244 -4.363 7.258 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.303 -6.017 9.187 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.506 -6.929 8.298 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.812 -6.870 8.748 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.459 -8.750 5.038 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.262 -8.333 6.876 1.00 0.00 H new ATOM 431 N ALA A 29 -4.285 -4.979 5.031 1.00 0.00 N ATOM 432 CA ALA A 29 -4.907 -5.236 3.719 1.00 0.00 C ATOM 433 C ALA A 29 -5.390 -6.697 3.584 1.00 0.00 C ATOM 434 O ALA A 29 -6.584 -6.936 3.439 1.00 0.00 O ATOM 435 CB ALA A 29 -3.948 -4.867 2.583 1.00 0.00 C ATOM 0 H ALA A 29 -3.362 -4.548 4.971 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.789 -4.600 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.427 -5.064 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.694 -3.809 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.040 -5.464 2.665 1.00 0.00 H new ATOM 441 N ILE A 30 -4.467 -7.665 3.716 1.00 0.00 N ATOM 442 CA ILE A 30 -4.795 -9.095 3.541 1.00 0.00 C ATOM 443 C ILE A 30 -5.649 -9.611 4.722 1.00 0.00 C ATOM 444 O ILE A 30 -6.800 -10.024 4.535 1.00 0.00 O ATOM 445 CB ILE A 30 -3.500 -9.980 3.379 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.603 -9.452 2.212 1.00 0.00 C ATOM 447 CG2 ILE A 30 -3.869 -11.468 3.167 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.334 -10.262 1.956 1.00 0.00 C ATOM 0 H ILE A 30 -3.489 -7.486 3.943 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.374 -9.181 2.621 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.925 -9.906 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.196 -9.435 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.321 -8.422 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.958 -12.057 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.434 -11.829 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.475 -11.568 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.780 -9.818 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.713 -10.259 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.602 -11.288 1.704 1.00 0.00 H new ATOM 460 N ASP A 31 -5.077 -9.529 5.927 1.00 0.00 N ATOM 461 CA ASP A 31 -5.641 -10.123 7.159 1.00 0.00 C ATOM 462 C ASP A 31 -7.025 -9.535 7.533 1.00 0.00 C ATOM 463 O ASP A 31 -7.973 -10.286 7.785 1.00 0.00 O ATOM 464 CB ASP A 31 -4.615 -9.942 8.314 1.00 0.00 C ATOM 465 CG ASP A 31 -5.158 -10.288 9.711 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.335 -11.487 10.014 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.414 -9.355 10.513 1.00 0.00 O ATOM 0 H ASP A 31 -4.195 -9.042 6.084 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.816 -11.184 6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.745 -10.567 8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.271 -8.908 8.318 1.00 0.00 H new ATOM 472 N ASP A 32 -7.135 -8.200 7.547 1.00 0.00 N ATOM 473 CA ASP A 32 -8.345 -7.500 8.031 1.00 0.00 C ATOM 474 C ASP A 32 -9.323 -7.201 6.879 1.00 0.00 C ATOM 475 O ASP A 32 -10.469 -7.662 6.887 1.00 0.00 O ATOM 476 CB ASP A 32 -7.931 -6.196 8.757 1.00 0.00 C ATOM 477 CG ASP A 32 -9.116 -5.431 9.363 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.550 -5.777 10.486 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.621 -4.482 8.728 1.00 0.00 O ATOM 0 H ASP A 32 -6.397 -7.573 7.227 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.866 -8.151 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.223 -6.439 9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.411 -5.547 8.053 1.00 0.00 H new ATOM 484 N LEU A 33 -8.839 -6.452 5.875 1.00 0.00 N ATOM 485 CA LEU A 33 -9.675 -5.925 4.778 1.00 0.00 C ATOM 486 C LEU A 33 -10.031 -7.025 3.748 1.00 0.00 C ATOM 487 O LEU A 33 -10.984 -6.868 2.979 1.00 0.00 O ATOM 488 CB LEU A 33 -8.947 -4.731 4.097 1.00 0.00 C ATOM 489 CG LEU A 33 -8.605 -3.511 5.020 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.744 -2.466 4.269 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.893 -2.880 5.610 1.00 0.00 C ATOM 0 H LEU A 33 -7.855 -6.193 5.799 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.617 -5.574 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.019 -5.100 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.568 -4.375 3.275 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.010 -3.877 5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.522 -1.631 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.812 -2.928 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.291 -2.102 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.626 -2.036 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.534 -2.535 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.426 -3.625 6.201 1.00 0.00 H new ATOM 503 N GLY A 34 -9.251 -8.128 3.737 1.00 0.00 N ATOM 504 CA GLY A 34 -9.520 -9.283 2.855 1.00 0.00 C ATOM 505 C GLY A 34 -8.925 -9.133 1.455 1.00 0.00 C ATOM 506 O GLY A 34 -9.225 -9.926 0.556 1.00 0.00 O ATOM 0 H GLY A 34 -8.429 -8.242 4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.118 -10.184 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.598 -9.422 2.770 1.00 0.00 H new ATOM 510 N ILE A 35 -8.068 -8.122 1.288 1.00 0.00 N ATOM 511 CA ILE A 35 -7.389 -7.815 0.015 1.00 0.00 C ATOM 512 C ILE A 35 -6.291 -8.851 -0.264 1.00 0.00 C ATOM 513 O ILE A 35 -5.329 -8.946 0.493 1.00 0.00 O ATOM 514 CB ILE A 35 -6.730 -6.383 0.068 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.765 -5.315 0.528 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.091 -6.000 -1.289 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.197 -3.915 0.723 1.00 0.00 C ATOM 0 H ILE A 35 -7.819 -7.481 2.041 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.136 -7.843 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.927 -6.414 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.567 -5.267 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.212 -5.644 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.647 -5.007 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.318 -6.725 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.857 -5.998 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.992 -3.241 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.416 -3.942 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.776 -3.559 -0.217 1.00 0.00 H new ATOM 529 N ASP A 36 -6.426 -9.610 -1.351 1.00 0.00 N ATOM 530 CA ASP A 36 -5.404 -10.579 -1.774 1.00 0.00 C ATOM 531 C ASP A 36 -4.224 -9.841 -2.436 1.00 0.00 C ATOM 532 O ASP A 36 -4.367 -8.683 -2.837 1.00 0.00 O ATOM 533 CB ASP A 36 -6.027 -11.600 -2.754 1.00 0.00 C ATOM 534 CG ASP A 36 -7.143 -12.449 -2.114 1.00 0.00 C ATOM 535 OD1 ASP A 36 -8.293 -11.963 -2.006 1.00 0.00 O ATOM 536 OD2 ASP A 36 -6.873 -13.598 -1.695 1.00 0.00 O ATOM 0 H ASP A 36 -7.241 -9.574 -1.963 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.030 -11.116 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.432 -11.068 -3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.244 -12.261 -3.127 1.00 0.00 H new ATOM 541 N SER A 37 -3.065 -10.513 -2.568 1.00 0.00 N ATOM 542 CA SER A 37 -1.887 -9.954 -3.266 1.00 0.00 C ATOM 543 C SER A 37 -2.175 -9.705 -4.768 1.00 0.00 C ATOM 544 O SER A 37 -1.441 -8.959 -5.426 1.00 0.00 O ATOM 545 CB SER A 37 -0.682 -10.896 -3.089 1.00 0.00 C ATOM 546 OG SER A 37 -0.427 -11.129 -1.712 1.00 0.00 O ATOM 0 H SER A 37 -2.917 -11.452 -2.198 1.00 0.00 H new ATOM 0 HA SER A 37 -1.654 -8.987 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.876 -11.842 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.199 -10.460 -3.559 1.00 0.00 H new ATOM 0 HG SER A 37 0.341 -11.731 -1.619 1.00 0.00 H new ATOM 552 N LEU A 38 -3.259 -10.321 -5.292 1.00 0.00 N ATOM 553 CA LEU A 38 -3.732 -10.110 -6.668 1.00 0.00 C ATOM 554 C LEU A 38 -4.644 -8.869 -6.714 1.00 0.00 C ATOM 555 O LEU A 38 -4.532 -8.031 -7.608 1.00 0.00 O ATOM 556 CB LEU A 38 -4.505 -11.359 -7.167 1.00 0.00 C ATOM 557 CG LEU A 38 -3.787 -12.739 -7.010 1.00 0.00 C ATOM 558 CD1 LEU A 38 -4.686 -13.891 -7.523 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.401 -12.736 -7.701 1.00 0.00 C ATOM 0 H LEU A 38 -3.830 -10.981 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.874 -9.950 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.454 -11.407 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.739 -11.215 -8.222 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.612 -12.909 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.164 -14.841 -7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.613 -13.912 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.914 -13.733 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.929 -13.710 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.525 -12.530 -8.764 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.773 -11.966 -7.253 1.00 0.00 H new ATOM 571 N ASP A 39 -5.542 -8.775 -5.712 1.00 0.00 N ATOM 572 CA ASP A 39 -6.514 -7.663 -5.567 1.00 0.00 C ATOM 573 C ASP A 39 -5.785 -6.331 -5.282 1.00 0.00 C ATOM 574 O ASP A 39 -6.222 -5.255 -5.715 1.00 0.00 O ATOM 575 CB ASP A 39 -7.520 -7.995 -4.427 1.00 0.00 C ATOM 576 CG ASP A 39 -8.641 -6.947 -4.252 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.309 -6.610 -5.255 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.900 -6.510 -3.117 1.00 0.00 O ATOM 0 H ASP A 39 -5.616 -9.473 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.062 -7.548 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.973 -8.966 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.973 -8.086 -3.489 1.00 0.00 H new ATOM 583 N PHE A 40 -4.638 -6.440 -4.590 1.00 0.00 N ATOM 584 CA PHE A 40 -3.798 -5.295 -4.203 1.00 0.00 C ATOM 585 C PHE A 40 -3.070 -4.710 -5.436 1.00 0.00 C ATOM 586 O PHE A 40 -2.626 -3.573 -5.392 1.00 0.00 O ATOM 587 CB PHE A 40 -2.790 -5.710 -3.086 1.00 0.00 C ATOM 588 CG PHE A 40 -2.232 -4.549 -2.238 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.223 -3.714 -2.719 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.725 -4.292 -0.957 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.730 -2.674 -1.966 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.226 -3.248 -0.202 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.234 -2.442 -0.709 1.00 0.00 C ATOM 0 H PHE A 40 -4.264 -7.337 -4.280 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.440 -4.512 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.282 -6.420 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.954 -6.234 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.820 -3.888 -3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.506 -4.917 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.051 -2.042 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.616 -3.065 0.788 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.850 -1.624 -0.117 1.00 0.00 H new ATOM 603 N LEU A 41 -2.924 -5.500 -6.524 1.00 0.00 N ATOM 604 CA LEU A 41 -2.228 -5.048 -7.762 1.00 0.00 C ATOM 605 C LEU A 41 -2.880 -3.773 -8.358 1.00 0.00 C ATOM 606 O LEU A 41 -2.185 -2.944 -8.954 1.00 0.00 O ATOM 607 CB LEU A 41 -2.200 -6.192 -8.817 1.00 0.00 C ATOM 608 CG LEU A 41 -1.260 -7.405 -8.499 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.539 -8.594 -9.448 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.228 -6.982 -8.561 1.00 0.00 C ATOM 0 H LEU A 41 -3.277 -6.455 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.204 -4.793 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.215 -6.569 -8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.899 -5.767 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.475 -7.735 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.871 -9.420 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.574 -8.917 -9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.369 -8.284 -10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.860 -7.841 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.460 -6.612 -9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.413 -6.195 -7.830 1.00 0.00 H new ATOM 622 N ASP A 42 -4.214 -3.627 -8.170 1.00 0.00 N ATOM 623 CA ASP A 42 -4.994 -2.447 -8.612 1.00 0.00 C ATOM 624 C ASP A 42 -4.606 -1.227 -7.748 1.00 0.00 C ATOM 625 O ASP A 42 -4.397 -0.120 -8.256 1.00 0.00 O ATOM 626 CB ASP A 42 -6.525 -2.752 -8.483 1.00 0.00 C ATOM 627 CG ASP A 42 -7.437 -1.937 -9.432 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.224 -0.719 -9.590 1.00 0.00 O ATOM 629 OD2 ASP A 42 -8.376 -2.525 -10.032 1.00 0.00 O ATOM 0 H ASP A 42 -4.784 -4.332 -7.703 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.772 -2.224 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.686 -3.813 -8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.833 -2.561 -7.455 1.00 0.00 H new ATOM 634 N ILE A 43 -4.493 -1.480 -6.427 1.00 0.00 N ATOM 635 CA ILE A 43 -4.098 -0.473 -5.419 1.00 0.00 C ATOM 636 C ILE A 43 -2.694 0.076 -5.740 1.00 0.00 C ATOM 637 O ILE A 43 -2.503 1.288 -5.866 1.00 0.00 O ATOM 638 CB ILE A 43 -4.110 -1.103 -3.970 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.525 -1.667 -3.624 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.619 -0.099 -2.896 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.642 -2.328 -2.264 1.00 0.00 C ATOM 0 H ILE A 43 -4.676 -2.400 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.817 0.345 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.405 -1.934 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.246 -0.852 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.806 -2.392 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.644 -0.574 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.599 0.208 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.269 0.776 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.661 -2.686 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.951 -3.169 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.398 -1.605 -1.486 1.00 0.00 H new ATOM 653 N ALA A 44 -1.751 -0.862 -5.931 1.00 0.00 N ATOM 654 CA ALA A 44 -0.337 -0.566 -6.224 1.00 0.00 C ATOM 655 C ALA A 44 -0.206 0.247 -7.522 1.00 0.00 C ATOM 656 O ALA A 44 0.540 1.219 -7.579 1.00 0.00 O ATOM 657 CB ALA A 44 0.453 -1.878 -6.330 1.00 0.00 C ATOM 0 H ALA A 44 -1.952 -1.861 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 44 0.072 0.033 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.498 -1.657 -6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.385 -2.421 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.038 -2.489 -7.131 1.00 0.00 H new ATOM 663 N PHE A 45 -1.015 -0.131 -8.525 1.00 0.00 N ATOM 664 CA PHE A 45 -0.997 0.496 -9.865 1.00 0.00 C ATOM 665 C PHE A 45 -1.464 1.965 -9.806 1.00 0.00 C ATOM 666 O PHE A 45 -0.926 2.826 -10.513 1.00 0.00 O ATOM 667 CB PHE A 45 -1.879 -0.326 -10.840 1.00 0.00 C ATOM 668 CG PHE A 45 -1.566 -0.121 -12.319 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.358 -0.576 -12.847 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.468 0.502 -13.181 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.063 -0.411 -14.185 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.171 0.662 -14.520 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.968 0.209 -15.023 1.00 0.00 C ATOM 0 H PHE A 45 -1.702 -0.880 -8.434 1.00 0.00 H new ATOM 0 HA PHE A 45 0.030 0.498 -10.231 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.767 -1.384 -10.603 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.924 -0.069 -10.666 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.356 -1.064 -12.200 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.410 0.864 -12.797 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.878 -0.768 -14.577 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.882 1.143 -15.176 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.735 0.339 -16.070 1.00 0.00 H new ATOM 683 N ALA A 46 -2.475 2.227 -8.959 1.00 0.00 N ATOM 684 CA ALA A 46 -3.019 3.581 -8.746 1.00 0.00 C ATOM 685 C ALA A 46 -2.060 4.455 -7.911 1.00 0.00 C ATOM 686 O ALA A 46 -2.056 5.672 -8.051 1.00 0.00 O ATOM 687 CB ALA A 46 -4.391 3.500 -8.071 1.00 0.00 C ATOM 0 H ALA A 46 -2.938 1.508 -8.403 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.129 4.053 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.782 4.506 -7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.076 2.937 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.294 3.000 -7.108 1.00 0.00 H new ATOM 693 N ILE A 47 -1.272 3.815 -7.030 1.00 0.00 N ATOM 694 CA ILE A 47 -0.246 4.496 -6.195 1.00 0.00 C ATOM 695 C ILE A 47 0.940 4.961 -7.065 1.00 0.00 C ATOM 696 O ILE A 47 1.479 6.063 -6.867 1.00 0.00 O ATOM 697 CB ILE A 47 0.219 3.546 -5.020 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.952 3.371 -3.998 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.509 4.041 -4.311 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.756 2.293 -2.946 1.00 0.00 C ATOM 0 H ILE A 47 -1.322 2.809 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.685 5.387 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 47 0.473 2.581 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.112 4.322 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.863 3.149 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.776 3.346 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.323 4.095 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.334 5.030 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.628 2.260 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.631 1.326 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.132 2.518 -2.355 1.00 0.00 H new ATOM 712 N ASP A 48 1.320 4.108 -8.038 1.00 0.00 N ATOM 713 CA ASP A 48 2.312 4.439 -9.089 1.00 0.00 C ATOM 714 C ASP A 48 1.933 5.728 -9.851 1.00 0.00 C ATOM 715 O ASP A 48 2.806 6.497 -10.248 1.00 0.00 O ATOM 716 CB ASP A 48 2.474 3.256 -10.098 1.00 0.00 C ATOM 717 CG ASP A 48 3.403 2.126 -9.598 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.123 1.534 -8.546 1.00 0.00 O ATOM 719 OD2 ASP A 48 4.412 1.813 -10.276 1.00 0.00 O ATOM 0 H ASP A 48 0.946 3.163 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 48 3.263 4.610 -8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.491 2.836 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.865 3.645 -11.038 1.00 0.00 H new ATOM 724 N LYS A 49 0.628 5.950 -10.041 1.00 0.00 N ATOM 725 CA LYS A 49 0.100 7.127 -10.755 1.00 0.00 C ATOM 726 C LYS A 49 -0.002 8.347 -9.821 1.00 0.00 C ATOM 727 O LYS A 49 0.517 9.425 -10.132 1.00 0.00 O ATOM 728 CB LYS A 49 -1.290 6.797 -11.351 1.00 0.00 C ATOM 729 CG LYS A 49 -1.284 5.608 -12.326 1.00 0.00 C ATOM 730 CD LYS A 49 -2.678 5.309 -12.917 1.00 0.00 C ATOM 731 CE LYS A 49 -2.663 4.119 -13.884 1.00 0.00 C ATOM 732 NZ LYS A 49 -3.985 3.901 -14.518 1.00 0.00 N ATOM 0 H LYS A 49 -0.098 5.318 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 49 0.791 7.377 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.982 6.583 -10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.670 7.677 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.587 5.814 -13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.917 4.722 -11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.377 5.105 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.045 6.193 -13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.914 4.290 -14.657 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.366 3.219 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.930 3.088 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.696 3.712 -13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.258 4.750 -15.053 1.00 0.00 H new ATOM 746 N ALA A 50 -0.660 8.136 -8.667 1.00 0.00 N ATOM 747 CA ALA A 50 -1.040 9.206 -7.713 1.00 0.00 C ATOM 748 C ALA A 50 0.191 9.926 -7.150 1.00 0.00 C ATOM 749 O ALA A 50 0.260 11.158 -7.137 1.00 0.00 O ATOM 750 CB ALA A 50 -1.884 8.616 -6.569 1.00 0.00 C ATOM 0 H ALA A 50 -0.949 7.207 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.633 9.943 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.159 9.409 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.787 8.164 -6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.305 7.857 -6.044 1.00 0.00 H new ATOM 756 N PHE A 51 1.157 9.130 -6.681 1.00 0.00 N ATOM 757 CA PHE A 51 2.425 9.638 -6.123 1.00 0.00 C ATOM 758 C PHE A 51 3.489 9.814 -7.233 1.00 0.00 C ATOM 759 O PHE A 51 4.532 10.446 -7.008 1.00 0.00 O ATOM 760 CB PHE A 51 2.945 8.674 -5.030 1.00 0.00 C ATOM 761 CG PHE A 51 1.980 8.454 -3.861 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.936 7.535 -3.957 1.00 0.00 C ATOM 763 CD2 PHE A 51 2.120 9.159 -2.665 1.00 0.00 C ATOM 764 CE1 PHE A 51 0.067 7.330 -2.906 1.00 0.00 C ATOM 765 CE2 PHE A 51 1.249 8.953 -1.617 1.00 0.00 C ATOM 766 CZ PHE A 51 0.227 8.035 -1.737 1.00 0.00 C ATOM 0 H PHE A 51 1.086 8.112 -6.675 1.00 0.00 H new ATOM 0 HA PHE A 51 2.237 10.615 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.164 7.710 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.886 9.062 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.806 6.974 -4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.921 9.875 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.738 6.617 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.367 9.511 -0.700 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.449 7.870 -0.911 1.00 0.00 H new ATOM 776 N GLY A 52 3.230 9.219 -8.421 1.00 0.00 N ATOM 777 CA GLY A 52 4.160 9.277 -9.562 1.00 0.00 C ATOM 778 C GLY A 52 5.382 8.375 -9.386 1.00 0.00 C ATOM 779 O GLY A 52 6.334 8.431 -10.173 1.00 0.00 O ATOM 0 H GLY A 52 2.378 8.691 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.630 8.988 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.492 10.306 -9.700 1.00 0.00 H new ATOM 783 N ILE A 53 5.320 7.504 -8.366 1.00 0.00 N ATOM 784 CA ILE A 53 6.442 6.646 -7.950 1.00 0.00 C ATOM 785 C ILE A 53 6.320 5.256 -8.582 1.00 0.00 C ATOM 786 O ILE A 53 5.498 5.034 -9.472 1.00 0.00 O ATOM 787 CB ILE A 53 6.501 6.517 -6.379 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.194 5.850 -5.824 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.763 7.896 -5.737 1.00 0.00 C ATOM 790 CD1 ILE A 53 5.174 5.609 -4.323 1.00 0.00 C ATOM 0 H ILE A 53 4.481 7.374 -7.801 1.00 0.00 H new ATOM 0 HA ILE A 53 7.365 7.112 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 53 7.332 5.865 -6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.345 6.481 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.050 4.896 -6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.801 7.791 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.713 8.290 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.960 8.582 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.229 5.145 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.998 4.949 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.282 6.560 -3.800 1.00 0.00 H new ATOM 802 N LYS A 54 7.183 4.345 -8.133 1.00 0.00 N ATOM 803 CA LYS A 54 7.067 2.917 -8.402 1.00 0.00 C ATOM 804 C LYS A 54 6.833 2.196 -7.074 1.00 0.00 C ATOM 805 O LYS A 54 7.681 2.260 -6.181 1.00 0.00 O ATOM 806 CB LYS A 54 8.350 2.400 -9.095 1.00 0.00 C ATOM 807 CG LYS A 54 8.359 0.886 -9.400 1.00 0.00 C ATOM 808 CD LYS A 54 9.667 0.430 -10.079 1.00 0.00 C ATOM 809 CE LYS A 54 9.711 -1.086 -10.327 1.00 0.00 C ATOM 810 NZ LYS A 54 11.003 -1.508 -10.916 1.00 0.00 N ATOM 0 H LYS A 54 7.994 4.585 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 54 6.229 2.724 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.486 2.945 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.206 2.634 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.222 0.331 -8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.514 0.643 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.779 0.953 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.514 0.716 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.550 -1.613 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.897 -1.369 -10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.995 -2.537 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.145 -1.024 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.778 -1.260 -10.268 1.00 0.00 H new ATOM 824 N LEU A 55 5.653 1.582 -6.917 1.00 0.00 N ATOM 825 CA LEU A 55 5.385 0.622 -5.845 1.00 0.00 C ATOM 826 C LEU A 55 5.515 -0.776 -6.473 1.00 0.00 C ATOM 827 O LEU A 55 4.569 -1.249 -7.121 1.00 0.00 O ATOM 828 CB LEU A 55 3.976 0.861 -5.196 1.00 0.00 C ATOM 829 CG LEU A 55 3.668 0.086 -3.851 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.489 0.714 -3.099 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.393 -1.428 -4.052 1.00 0.00 C ATOM 0 H LEU A 55 4.856 1.740 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 55 6.095 0.736 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.867 1.929 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.215 0.588 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 55 4.578 0.178 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.305 0.157 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.724 1.750 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.599 0.682 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.190 -1.892 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.530 -1.557 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.265 -1.899 -4.505 1.00 0.00 H new ATOM 843 N PRO A 56 6.688 -1.466 -6.315 1.00 0.00 N ATOM 844 CA PRO A 56 6.862 -2.834 -6.804 1.00 0.00 C ATOM 845 C PRO A 56 6.248 -3.846 -5.808 1.00 0.00 C ATOM 846 O PRO A 56 6.923 -4.352 -4.905 1.00 0.00 O ATOM 847 CB PRO A 56 8.398 -2.947 -6.955 1.00 0.00 C ATOM 848 CG PRO A 56 8.955 -2.050 -5.881 1.00 0.00 C ATOM 849 CD PRO A 56 7.921 -0.962 -5.640 1.00 0.00 C ATOM 0 HA PRO A 56 6.354 -3.055 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.734 -3.976 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.723 -2.628 -7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.145 -2.613 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.906 -1.618 -6.193 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.754 -0.802 -4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.242 -0.009 -6.059 1.00 0.00 H new ATOM 857 N LEU A 57 4.939 -4.092 -5.973 1.00 0.00 N ATOM 858 CA LEU A 57 4.166 -4.980 -5.092 1.00 0.00 C ATOM 859 C LEU A 57 4.628 -6.428 -5.242 1.00 0.00 C ATOM 860 O LEU A 57 4.722 -7.132 -4.262 1.00 0.00 O ATOM 861 CB LEU A 57 2.650 -4.907 -5.384 1.00 0.00 C ATOM 862 CG LEU A 57 1.769 -5.861 -4.510 1.00 0.00 C ATOM 863 CD1 LEU A 57 1.847 -5.496 -3.010 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.328 -5.911 -5.024 1.00 0.00 C ATOM 0 H LEU A 57 4.386 -3.679 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 57 4.342 -4.638 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.313 -3.882 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.484 -5.143 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 57 2.175 -6.868 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.222 -6.180 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.879 -5.575 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.494 -4.475 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.259 -6.582 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.105 -4.911 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.321 -6.276 -6.051 1.00 0.00 H new ATOM 876 N GLU A 58 4.904 -6.837 -6.485 1.00 0.00 N ATOM 877 CA GLU A 58 5.314 -8.215 -6.833 1.00 0.00 C ATOM 878 C GLU A 58 6.668 -8.572 -6.178 1.00 0.00 C ATOM 879 O GLU A 58 6.917 -9.729 -5.826 1.00 0.00 O ATOM 880 CB GLU A 58 5.365 -8.351 -8.375 1.00 0.00 C ATOM 881 CG GLU A 58 6.305 -7.342 -9.074 1.00 0.00 C ATOM 882 CD GLU A 58 6.097 -7.270 -10.591 1.00 0.00 C ATOM 883 OE1 GLU A 58 6.710 -8.066 -11.333 1.00 0.00 O ATOM 884 OE2 GLU A 58 5.298 -6.416 -11.044 1.00 0.00 O ATOM 0 H GLU A 58 4.850 -6.217 -7.293 1.00 0.00 H new ATOM 0 HA GLU A 58 4.583 -8.924 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.684 -9.362 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.358 -8.226 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.148 -6.352 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.339 -7.617 -8.869 1.00 0.00 H new ATOM 891 N LYS A 59 7.516 -7.547 -6.006 1.00 0.00 N ATOM 892 CA LYS A 59 8.784 -7.615 -5.257 1.00 0.00 C ATOM 893 C LYS A 59 8.506 -7.880 -3.762 1.00 0.00 C ATOM 894 O LYS A 59 9.097 -8.785 -3.160 1.00 0.00 O ATOM 895 CB LYS A 59 9.544 -6.271 -5.465 1.00 0.00 C ATOM 896 CG LYS A 59 10.693 -5.979 -4.478 1.00 0.00 C ATOM 897 CD LYS A 59 11.322 -4.585 -4.707 1.00 0.00 C ATOM 898 CE LYS A 59 12.200 -4.118 -3.536 1.00 0.00 C ATOM 899 NZ LYS A 59 13.366 -5.006 -3.301 1.00 0.00 N ATOM 0 H LYS A 59 7.335 -6.621 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 59 9.400 -8.437 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.950 -6.260 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.823 -5.456 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.317 -6.042 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.462 -6.744 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.923 -4.609 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.527 -3.857 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.554 -3.106 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.595 -4.073 -2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.011 -4.558 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.038 -5.917 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.867 -5.166 -4.198 1.00 0.00 H new ATOM 913 N TRP A 60 7.565 -7.095 -3.203 1.00 0.00 N ATOM 914 CA TRP A 60 7.158 -7.180 -1.784 1.00 0.00 C ATOM 915 C TRP A 60 6.527 -8.553 -1.477 1.00 0.00 C ATOM 916 O TRP A 60 6.860 -9.179 -0.480 1.00 0.00 O ATOM 917 CB TRP A 60 6.173 -6.029 -1.437 1.00 0.00 C ATOM 918 CG TRP A 60 6.767 -4.632 -1.505 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.051 -4.286 -1.840 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.099 -3.401 -1.197 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.211 -2.932 -1.772 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.034 -2.363 -1.372 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.801 -3.075 -0.785 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.719 -1.026 -1.150 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.488 -1.750 -0.563 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.443 -0.737 -0.750 1.00 0.00 C ATOM 0 H TRP A 60 7.061 -6.378 -3.726 1.00 0.00 H new ATOM 0 HA TRP A 60 8.047 -7.073 -1.162 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.324 -6.080 -2.119 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.785 -6.194 -0.432 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.826 -4.985 -2.118 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.071 -2.426 -1.985 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.059 -3.847 -0.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.454 -0.246 -1.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.492 -1.487 -0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.164 0.291 -0.574 1.00 0.00 H new ATOM 937 N THR A 61 5.657 -9.015 -2.390 1.00 0.00 N ATOM 938 CA THR A 61 4.966 -10.306 -2.329 1.00 0.00 C ATOM 939 C THR A 61 5.964 -11.469 -2.293 1.00 0.00 C ATOM 940 O THR A 61 5.857 -12.347 -1.441 1.00 0.00 O ATOM 941 CB THR A 61 3.991 -10.448 -3.553 1.00 0.00 C ATOM 942 OG1 THR A 61 3.014 -9.386 -3.526 1.00 0.00 O ATOM 943 CG2 THR A 61 3.269 -11.807 -3.591 1.00 0.00 C ATOM 0 H THR A 61 5.409 -8.477 -3.220 1.00 0.00 H new ATOM 0 HA THR A 61 4.385 -10.343 -1.407 1.00 0.00 H new ATOM 0 HB THR A 61 4.603 -10.382 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.443 -8.540 -3.773 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.610 -11.845 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.005 -12.608 -3.659 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.680 -11.932 -2.682 1.00 0.00 H new ATOM 951 N GLN A 62 6.978 -11.417 -3.172 1.00 0.00 N ATOM 952 CA GLN A 62 8.004 -12.456 -3.286 1.00 0.00 C ATOM 953 C GLN A 62 8.853 -12.534 -2.008 1.00 0.00 C ATOM 954 O GLN A 62 9.081 -13.618 -1.494 1.00 0.00 O ATOM 955 CB GLN A 62 8.896 -12.207 -4.536 1.00 0.00 C ATOM 956 CG GLN A 62 9.998 -13.267 -4.771 1.00 0.00 C ATOM 957 CD GLN A 62 9.453 -14.706 -4.860 1.00 0.00 C ATOM 958 OE1 GLN A 62 9.055 -15.165 -5.928 1.00 0.00 O ATOM 959 NE2 GLN A 62 9.470 -15.443 -3.751 1.00 0.00 N ATOM 0 H GLN A 62 7.106 -10.645 -3.827 1.00 0.00 H new ATOM 0 HA GLN A 62 7.505 -13.417 -3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.257 -12.167 -5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.368 -11.229 -4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.529 -13.030 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.725 -13.211 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.805 -15.040 -2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.148 -16.411 -3.777 1.00 0.00 H new ATOM 968 N GLU A 63 9.270 -11.371 -1.484 1.00 0.00 N ATOM 969 CA GLU A 63 10.181 -11.295 -0.323 1.00 0.00 C ATOM 970 C GLU A 63 9.469 -11.628 0.997 1.00 0.00 C ATOM 971 O GLU A 63 10.107 -12.101 1.933 1.00 0.00 O ATOM 972 CB GLU A 63 10.868 -9.913 -0.267 1.00 0.00 C ATOM 973 CG GLU A 63 11.861 -9.698 -1.422 1.00 0.00 C ATOM 974 CD GLU A 63 12.601 -8.362 -1.340 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.326 -8.137 -0.348 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.474 -7.540 -2.258 1.00 0.00 O ATOM 0 H GLU A 63 8.989 -10.460 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 63 10.951 -12.055 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.108 -9.132 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.393 -9.811 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.589 -10.510 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.324 -9.751 -2.369 1.00 0.00 H new ATOM 983 N VAL A 64 8.148 -11.402 1.071 1.00 0.00 N ATOM 984 CA VAL A 64 7.338 -11.859 2.217 1.00 0.00 C ATOM 985 C VAL A 64 7.166 -13.389 2.149 1.00 0.00 C ATOM 986 O VAL A 64 7.309 -14.088 3.156 1.00 0.00 O ATOM 987 CB VAL A 64 5.942 -11.148 2.297 1.00 0.00 C ATOM 988 CG1 VAL A 64 5.084 -11.736 3.437 1.00 0.00 C ATOM 989 CG2 VAL A 64 6.106 -9.628 2.488 1.00 0.00 C ATOM 0 H VAL A 64 7.617 -10.907 0.354 1.00 0.00 H new ATOM 0 HA VAL A 64 7.873 -11.587 3.127 1.00 0.00 H new ATOM 0 HB VAL A 64 5.429 -11.325 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.122 -11.225 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.924 -12.800 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.599 -11.600 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.123 -9.160 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.650 -9.434 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.661 -9.213 1.647 1.00 0.00 H new ATOM 999 N ASN A 65 6.909 -13.891 0.928 1.00 0.00 N ATOM 1000 CA ASN A 65 6.781 -15.340 0.654 1.00 0.00 C ATOM 1001 C ASN A 65 8.143 -16.061 0.756 1.00 0.00 C ATOM 1002 O ASN A 65 8.176 -17.284 0.878 1.00 0.00 O ATOM 1003 CB ASN A 65 6.143 -15.585 -0.744 1.00 0.00 C ATOM 1004 CG ASN A 65 4.680 -15.139 -0.847 1.00 0.00 C ATOM 1005 OD1 ASN A 65 3.937 -15.146 0.139 1.00 0.00 O ATOM 1006 ND2 ASN A 65 4.247 -14.767 -2.047 1.00 0.00 N ATOM 0 H ASN A 65 6.784 -13.307 0.101 1.00 0.00 H new ATOM 0 HA ASN A 65 6.123 -15.758 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.727 -15.056 -1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.206 -16.647 -0.980 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.277 -14.477 -2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.885 -14.772 -2.843 1.00 0.00 H new ATOM 1013 N ASP A 66 9.253 -15.295 0.705 1.00 0.00 N ATOM 1014 CA ASP A 66 10.638 -15.807 0.827 1.00 0.00 C ATOM 1015 C ASP A 66 11.144 -15.647 2.283 1.00 0.00 C ATOM 1016 O ASP A 66 12.230 -16.125 2.636 1.00 0.00 O ATOM 1017 CB ASP A 66 11.549 -15.030 -0.178 1.00 0.00 C ATOM 1018 CG ASP A 66 12.875 -15.745 -0.504 1.00 0.00 C ATOM 1019 OD1 ASP A 66 12.890 -16.593 -1.411 1.00 0.00 O ATOM 1020 OD2 ASP A 66 13.908 -15.457 0.130 1.00 0.00 O ATOM 0 H ASP A 66 9.213 -14.284 0.575 1.00 0.00 H new ATOM 0 HA ASP A 66 10.667 -16.870 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.997 -14.870 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.771 -14.046 0.235 1.00 0.00 H new ATOM 1025 N GLY A 67 10.328 -14.962 3.116 1.00 0.00 N ATOM 1026 CA GLY A 67 10.622 -14.788 4.551 1.00 0.00 C ATOM 1027 C GLY A 67 11.622 -13.670 4.852 1.00 0.00 C ATOM 1028 O GLY A 67 12.113 -13.560 5.973 1.00 0.00 O ATOM 0 H GLY A 67 9.459 -14.521 2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.691 -14.580 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.011 -15.726 4.948 1.00 0.00 H new ATOM 1032 N LYS A 68 11.938 -12.853 3.835 1.00 0.00 N ATOM 1033 CA LYS A 68 12.853 -11.685 3.963 1.00 0.00 C ATOM 1034 C LYS A 68 12.125 -10.479 4.596 1.00 0.00 C ATOM 1035 O LYS A 68 12.760 -9.527 5.064 1.00 0.00 O ATOM 1036 CB LYS A 68 13.403 -11.303 2.556 1.00 0.00 C ATOM 1037 CG LYS A 68 13.939 -12.499 1.739 1.00 0.00 C ATOM 1038 CD LYS A 68 15.176 -13.187 2.370 1.00 0.00 C ATOM 1039 CE LYS A 68 16.473 -12.382 2.185 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.824 -12.222 0.743 1.00 0.00 N ATOM 0 H LYS A 68 11.569 -12.976 2.892 1.00 0.00 H new ATOM 0 HA LYS A 68 13.681 -11.958 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.610 -10.816 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.203 -10.573 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.143 -13.236 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.198 -12.155 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.997 -13.337 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.302 -14.174 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.360 -11.399 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.290 -12.883 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.821 -11.939 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.676 -13.124 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.219 -11.491 0.318 1.00 0.00 H new ATOM 1054 N ALA A 69 10.783 -10.544 4.586 1.00 0.00 N ATOM 1055 CA ALA A 69 9.909 -9.498 5.130 1.00 0.00 C ATOM 1056 C ALA A 69 8.582 -10.112 5.594 1.00 0.00 C ATOM 1057 O ALA A 69 8.291 -11.272 5.294 1.00 0.00 O ATOM 1058 CB ALA A 69 9.668 -8.393 4.079 1.00 0.00 C ATOM 0 H ALA A 69 10.271 -11.335 4.195 1.00 0.00 H new ATOM 0 HA ALA A 69 10.398 -9.042 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.018 -7.626 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.621 -7.946 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.195 -8.826 3.198 1.00 0.00 H new ATOM 1064 N THR A 70 7.803 -9.330 6.354 1.00 0.00 N ATOM 1065 CA THR A 70 6.454 -9.724 6.815 1.00 0.00 C ATOM 1066 C THR A 70 5.377 -8.858 6.125 1.00 0.00 C ATOM 1067 O THR A 70 5.662 -7.735 5.670 1.00 0.00 O ATOM 1068 CB THR A 70 6.328 -9.620 8.380 1.00 0.00 C ATOM 1069 OG1 THR A 70 5.012 -10.022 8.794 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.610 -8.205 8.922 1.00 0.00 C ATOM 0 H THR A 70 8.087 -8.403 6.670 1.00 0.00 H new ATOM 0 HA THR A 70 6.297 -10.767 6.539 1.00 0.00 H new ATOM 0 HB THR A 70 7.087 -10.285 8.792 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.942 -9.956 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.506 -8.204 10.007 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.624 -7.908 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.900 -7.501 8.488 1.00 0.00 H new ATOM 1078 N THR A 71 4.145 -9.407 6.041 1.00 0.00 N ATOM 1079 CA THR A 71 2.982 -8.714 5.457 1.00 0.00 C ATOM 1080 C THR A 71 2.626 -7.455 6.268 1.00 0.00 C ATOM 1081 O THR A 71 2.137 -6.483 5.703 1.00 0.00 O ATOM 1082 CB THR A 71 1.713 -9.635 5.374 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.476 -10.231 6.654 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.808 -10.732 4.307 1.00 0.00 C ATOM 0 H THR A 71 3.932 -10.346 6.378 1.00 0.00 H new ATOM 0 HA THR A 71 3.274 -8.436 4.444 1.00 0.00 H new ATOM 0 HB THR A 71 0.883 -8.993 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.683 -10.805 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.893 -11.325 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.938 -10.275 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.660 -11.377 4.523 1.00 0.00 H new ATOM 1092 N GLU A 72 2.855 -7.494 7.604 1.00 0.00 N ATOM 1093 CA GLU A 72 2.581 -6.343 8.493 1.00 0.00 C ATOM 1094 C GLU A 72 3.371 -5.093 8.057 1.00 0.00 C ATOM 1095 O GLU A 72 2.799 -4.006 7.975 1.00 0.00 O ATOM 1096 CB GLU A 72 2.897 -6.686 9.976 1.00 0.00 C ATOM 1097 CG GLU A 72 2.541 -5.563 10.982 1.00 0.00 C ATOM 1098 CD GLU A 72 2.787 -5.942 12.450 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.122 -6.873 12.947 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.650 -5.328 13.111 1.00 0.00 O ATOM 0 H GLU A 72 3.229 -8.311 8.087 1.00 0.00 H new ATOM 0 HA GLU A 72 1.517 -6.121 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.353 -7.590 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.959 -6.914 10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.127 -4.675 10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.492 -5.296 10.857 1.00 0.00 H new ATOM 1107 N GLN A 73 4.672 -5.285 7.730 1.00 0.00 N ATOM 1108 CA GLN A 73 5.595 -4.189 7.335 1.00 0.00 C ATOM 1109 C GLN A 73 5.051 -3.395 6.133 1.00 0.00 C ATOM 1110 O GLN A 73 5.283 -2.187 6.008 1.00 0.00 O ATOM 1111 CB GLN A 73 6.994 -4.769 6.995 1.00 0.00 C ATOM 1112 CG GLN A 73 8.047 -3.708 6.597 1.00 0.00 C ATOM 1113 CD GLN A 73 9.445 -4.282 6.373 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.242 -4.369 7.303 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.757 -4.668 5.142 1.00 0.00 N ATOM 0 H GLN A 73 5.113 -6.205 7.732 1.00 0.00 H new ATOM 0 HA GLN A 73 5.679 -3.504 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.363 -5.324 7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.889 -5.483 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.719 -3.208 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.097 -2.948 7.377 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.072 -4.582 4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.682 -5.050 4.947 1.00 0.00 H new ATOM 1124 N TYR A 74 4.330 -4.096 5.247 1.00 0.00 N ATOM 1125 CA TYR A 74 3.710 -3.486 4.074 1.00 0.00 C ATOM 1126 C TYR A 74 2.208 -3.289 4.336 1.00 0.00 C ATOM 1127 O TYR A 74 1.807 -2.251 4.829 1.00 0.00 O ATOM 1128 CB TYR A 74 3.968 -4.355 2.814 1.00 0.00 C ATOM 1129 CG TYR A 74 5.449 -4.695 2.589 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.383 -3.697 2.326 1.00 0.00 C ATOM 1131 CD2 TYR A 74 5.907 -6.009 2.628 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.714 -3.997 2.114 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.237 -6.309 2.418 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.133 -5.304 2.158 1.00 0.00 C ATOM 1135 OH TYR A 74 9.459 -5.605 1.944 1.00 0.00 O ATOM 0 H TYR A 74 4.163 -5.099 5.327 1.00 0.00 H new ATOM 0 HA TYR A 74 4.155 -2.508 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.401 -5.282 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.588 -3.830 1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.060 -2.667 2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.208 -6.808 2.826 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.423 -3.207 1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.572 -7.335 2.458 1.00 0.00 H new ATOM 0 HH TYR A 74 9.589 -6.574 2.011 1.00 0.00 H new ATOM 1145 N PHE A 75 1.431 -4.360 4.141 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.036 -4.328 3.951 1.00 0.00 C ATOM 1147 C PHE A 75 -0.851 -3.630 5.079 1.00 0.00 C ATOM 1148 O PHE A 75 -1.964 -3.177 4.806 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.540 -5.776 3.721 1.00 0.00 C ATOM 1150 CG PHE A 75 0.005 -6.437 2.445 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.259 -7.051 2.423 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.738 -6.432 1.265 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.753 -7.619 1.263 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.246 -7.004 0.107 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.998 -7.600 0.107 1.00 0.00 C ATOM 0 H PHE A 75 1.811 -5.306 4.109 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.213 -3.700 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.262 -6.386 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.629 -5.767 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.852 -7.083 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.716 -5.973 1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.731 -8.078 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.835 -6.984 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.381 -8.051 -0.796 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.335 -3.549 6.333 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.987 -2.709 7.380 1.00 0.00 C ATOM 1167 C VAL A 76 -0.884 -1.237 6.951 1.00 0.00 C ATOM 1168 O VAL A 76 0.216 -0.758 6.771 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.362 -2.875 8.813 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -1.008 -1.897 9.824 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.475 -4.321 9.325 1.00 0.00 C ATOM 0 H VAL A 76 0.505 -4.038 6.641 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.022 -3.041 7.460 1.00 0.00 H new ATOM 0 HB VAL A 76 0.697 -2.633 8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.555 -2.036 10.805 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.847 -0.871 9.492 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.078 -2.094 9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.031 -4.391 10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.525 -4.608 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.051 -4.990 8.644 1.00 0.00 H new ATOM 1181 N LEU A 77 -2.018 -0.529 6.871 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.124 0.728 6.093 1.00 0.00 C ATOM 1183 C LEU A 77 -1.186 1.857 6.601 1.00 0.00 C ATOM 1184 O LEU A 77 -0.729 2.671 5.799 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.588 1.224 6.027 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.666 0.215 5.500 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.952 0.950 5.071 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.122 -0.696 4.375 1.00 0.00 C ATOM 0 H LEU A 77 -2.884 -0.801 7.336 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.787 0.480 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.882 1.540 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.616 2.109 5.392 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.921 -0.444 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.682 0.225 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.366 1.487 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.719 1.657 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.908 -1.376 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.797 -0.082 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.277 -1.273 4.751 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.935 1.907 7.929 1.00 0.00 N ATOM 1201 CA LYS A 78 0.045 2.857 8.536 1.00 0.00 C ATOM 1202 C LYS A 78 1.494 2.543 8.073 1.00 0.00 C ATOM 1203 O LYS A 78 2.272 3.453 7.761 1.00 0.00 O ATOM 1204 CB LYS A 78 -0.042 2.827 10.100 1.00 0.00 C ATOM 1205 CG LYS A 78 0.277 1.452 10.736 1.00 0.00 C ATOM 1206 CD LYS A 78 0.133 1.414 12.275 1.00 0.00 C ATOM 1207 CE LYS A 78 0.456 0.018 12.855 1.00 0.00 C ATOM 1208 NZ LYS A 78 0.251 -0.042 14.324 1.00 0.00 N ATOM 0 H LYS A 78 -1.396 1.302 8.608 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.214 3.859 8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.648 3.568 10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.045 3.128 10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.384 0.702 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.296 1.170 10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.799 2.154 12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.884 1.694 12.551 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.174 -0.729 12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.490 -0.239 12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.480 -0.996 14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.871 0.651 14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.741 0.177 14.545 1.00 0.00 H new ATOM 1222 N ASN A 79 1.820 1.241 8.019 1.00 0.00 N ATOM 1223 CA ASN A 79 3.164 0.744 7.666 1.00 0.00 C ATOM 1224 C ASN A 79 3.384 0.852 6.153 1.00 0.00 C ATOM 1225 O ASN A 79 4.470 1.184 5.706 1.00 0.00 O ATOM 1226 CB ASN A 79 3.325 -0.726 8.141 1.00 0.00 C ATOM 1227 CG ASN A 79 3.153 -0.887 9.650 1.00 0.00 C ATOM 1228 OD1 ASN A 79 3.462 0.019 10.423 1.00 0.00 O ATOM 1229 ND2 ASN A 79 2.666 -2.036 10.088 1.00 0.00 N ATOM 0 H ASN A 79 1.153 0.496 8.221 1.00 0.00 H new ATOM 0 HA ASN A 79 3.915 1.355 8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.593 -1.350 7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.311 -1.090 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.539 -2.188 11.089 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.418 -2.771 9.425 1.00 0.00 H new ATOM 1236 N LEU A 80 2.334 0.511 5.401 1.00 0.00 N ATOM 1237 CA LEU A 80 2.206 0.728 3.952 1.00 0.00 C ATOM 1238 C LEU A 80 2.468 2.189 3.594 1.00 0.00 C ATOM 1239 O LEU A 80 3.232 2.476 2.687 1.00 0.00 O ATOM 1240 CB LEU A 80 0.767 0.319 3.519 1.00 0.00 C ATOM 1241 CG LEU A 80 0.422 0.396 2.004 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.346 -0.512 1.158 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.071 0.066 1.777 1.00 0.00 C ATOM 0 H LEU A 80 1.513 0.056 5.800 1.00 0.00 H new ATOM 0 HA LEU A 80 2.944 0.121 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.594 -0.705 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.061 0.952 4.057 1.00 0.00 H new ATOM 0 HG LEU A 80 0.599 1.418 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.073 -0.430 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.382 -0.200 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.235 -1.547 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.299 0.124 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.280 -0.941 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.688 0.782 2.319 1.00 0.00 H new ATOM 1255 N ALA A 81 1.839 3.096 4.354 1.00 0.00 N ATOM 1256 CA ALA A 81 1.989 4.551 4.174 1.00 0.00 C ATOM 1257 C ALA A 81 3.428 5.010 4.471 1.00 0.00 C ATOM 1258 O ALA A 81 3.886 5.989 3.904 1.00 0.00 O ATOM 1259 CB ALA A 81 0.989 5.298 5.061 1.00 0.00 C ATOM 0 H ALA A 81 1.209 2.842 5.115 1.00 0.00 H new ATOM 0 HA ALA A 81 1.779 4.786 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.109 6.372 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.026 5.007 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.171 5.047 6.106 1.00 0.00 H new ATOM 1265 N ALA A 82 4.115 4.283 5.370 1.00 0.00 N ATOM 1266 CA ALA A 82 5.527 4.552 5.729 1.00 0.00 C ATOM 1267 C ALA A 82 6.483 4.049 4.621 1.00 0.00 C ATOM 1268 O ALA A 82 7.479 4.711 4.302 1.00 0.00 O ATOM 1269 CB ALA A 82 5.868 3.893 7.079 1.00 0.00 C ATOM 0 H ALA A 82 3.711 3.491 5.870 1.00 0.00 H new ATOM 0 HA ALA A 82 5.658 5.630 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.908 4.098 7.331 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.219 4.298 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.718 2.816 7.006 1.00 0.00 H new ATOM 1275 N ARG A 83 6.178 2.847 4.075 1.00 0.00 N ATOM 1276 CA ARG A 83 6.882 2.263 2.905 1.00 0.00 C ATOM 1277 C ARG A 83 6.810 3.201 1.692 1.00 0.00 C ATOM 1278 O ARG A 83 7.822 3.507 1.072 1.00 0.00 O ATOM 1279 CB ARG A 83 6.253 0.886 2.531 1.00 0.00 C ATOM 1280 CG ARG A 83 6.452 -0.236 3.568 1.00 0.00 C ATOM 1281 CD ARG A 83 7.940 -0.568 3.780 1.00 0.00 C ATOM 1282 NE ARG A 83 8.634 -0.878 2.502 1.00 0.00 N ATOM 1283 CZ ARG A 83 9.903 -0.542 2.199 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.658 0.136 3.057 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.403 -0.865 1.017 1.00 0.00 N ATOM 0 H ARG A 83 5.433 2.251 4.435 1.00 0.00 H new ATOM 0 HA ARG A 83 7.928 2.126 3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.184 1.025 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.676 0.559 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.009 0.065 4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.924 -1.131 3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.433 0.275 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.028 -1.419 4.455 1.00 0.00 H new ATOM 0 HE ARG A 83 8.105 -1.388 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.279 0.411 3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.617 0.381 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.828 -1.366 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.363 -0.613 0.783 1.00 0.00 H new ATOM 1299 N ILE A 84 5.588 3.646 1.389 1.00 0.00 N ATOM 1300 CA ILE A 84 5.293 4.535 0.253 1.00 0.00 C ATOM 1301 C ILE A 84 5.900 5.927 0.489 1.00 0.00 C ATOM 1302 O ILE A 84 6.402 6.546 -0.440 1.00 0.00 O ATOM 1303 CB ILE A 84 3.744 4.614 -0.001 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.198 3.197 -0.351 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.371 5.645 -1.099 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.690 3.092 -0.418 1.00 0.00 C ATOM 0 H ILE A 84 4.761 3.397 1.931 1.00 0.00 H new ATOM 0 HA ILE A 84 5.752 4.121 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 84 3.274 4.966 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.612 2.892 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.564 2.489 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.289 5.658 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.711 6.636 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.850 5.366 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.407 2.069 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.263 3.361 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.312 3.770 -1.183 1.00 0.00 H new ATOM 1318 N ASP A 85 5.840 6.407 1.744 1.00 0.00 N ATOM 1319 CA ASP A 85 6.543 7.641 2.166 1.00 0.00 C ATOM 1320 C ASP A 85 8.065 7.538 1.925 1.00 0.00 C ATOM 1321 O ASP A 85 8.709 8.531 1.578 1.00 0.00 O ATOM 1322 CB ASP A 85 6.250 7.962 3.653 1.00 0.00 C ATOM 1323 CG ASP A 85 6.754 9.351 4.088 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.044 10.351 3.851 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.866 9.457 4.651 1.00 0.00 O ATOM 0 H ASP A 85 5.309 5.959 2.491 1.00 0.00 H new ATOM 0 HA ASP A 85 6.163 8.458 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.175 7.903 3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.716 7.202 4.280 1.00 0.00 H new ATOM 1330 N GLU A 86 8.628 6.336 2.109 1.00 0.00 N ATOM 1331 CA GLU A 86 10.045 6.077 1.825 1.00 0.00 C ATOM 1332 C GLU A 86 10.307 6.070 0.292 1.00 0.00 C ATOM 1333 O GLU A 86 11.343 6.558 -0.155 1.00 0.00 O ATOM 1334 CB GLU A 86 10.478 4.732 2.459 1.00 0.00 C ATOM 1335 CG GLU A 86 11.997 4.482 2.443 1.00 0.00 C ATOM 1336 CD GLU A 86 12.399 3.118 3.024 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.496 2.993 4.269 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.604 2.160 2.244 1.00 0.00 O ATOM 0 H GLU A 86 8.119 5.523 2.456 1.00 0.00 H new ATOM 0 HA GLU A 86 10.639 6.878 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.128 4.701 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.982 3.918 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.358 4.552 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.493 5.270 3.010 1.00 0.00 H new ATOM 1345 N LEU A 87 9.367 5.480 -0.492 1.00 0.00 N ATOM 1346 CA LEU A 87 9.432 5.464 -1.981 1.00 0.00 C ATOM 1347 C LEU A 87 9.387 6.901 -2.575 1.00 0.00 C ATOM 1348 O LEU A 87 10.145 7.220 -3.504 1.00 0.00 O ATOM 1349 CB LEU A 87 8.275 4.602 -2.591 1.00 0.00 C ATOM 1350 CG LEU A 87 8.125 3.134 -2.068 1.00 0.00 C ATOM 1351 CD1 LEU A 87 6.939 2.415 -2.744 1.00 0.00 C ATOM 1352 CD2 LEU A 87 9.433 2.330 -2.206 1.00 0.00 C ATOM 0 H LEU A 87 8.547 5.005 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 87 10.387 5.012 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.335 5.123 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.416 4.563 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 87 7.908 3.196 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.863 1.398 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.016 2.955 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.099 2.384 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.280 1.318 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.725 2.287 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.221 2.815 -1.630 1.00 0.00 H new ATOM 1364 N VAL A 88 8.484 7.755 -2.038 1.00 0.00 N ATOM 1365 CA VAL A 88 8.340 9.165 -2.492 1.00 0.00 C ATOM 1366 C VAL A 88 9.550 10.008 -2.027 1.00 0.00 C ATOM 1367 O VAL A 88 9.920 10.994 -2.671 1.00 0.00 O ATOM 1368 CB VAL A 88 6.981 9.842 -2.026 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.754 8.986 -2.419 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.959 10.180 -0.512 1.00 0.00 C ATOM 0 H VAL A 88 7.842 7.495 -1.289 1.00 0.00 H new ATOM 0 HA VAL A 88 8.311 9.136 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 88 6.921 10.791 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.843 9.481 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.725 8.867 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.829 8.006 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.005 10.640 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.088 9.265 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.769 10.872 -0.282 1.00 0.00 H new ATOM 1380 N ALA A 89 10.163 9.589 -0.905 1.00 0.00 N ATOM 1381 CA ALA A 89 11.389 10.209 -0.381 1.00 0.00 C ATOM 1382 C ALA A 89 12.591 9.817 -1.250 1.00 0.00 C ATOM 1383 O ALA A 89 13.525 10.594 -1.398 1.00 0.00 O ATOM 1384 CB ALA A 89 11.624 9.783 1.073 1.00 0.00 C ATOM 0 H ALA A 89 9.821 8.812 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 89 11.272 11.292 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.535 10.250 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.778 10.096 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.726 8.699 1.123 1.00 0.00 H new ATOM 1390 N ALA A 90 12.586 8.566 -1.750 1.00 0.00 N ATOM 1391 CA ALA A 90 13.599 8.058 -2.692 1.00 0.00 C ATOM 1392 C ALA A 90 13.642 8.851 -4.013 1.00 0.00 C ATOM 1393 O ALA A 90 14.732 9.132 -4.528 1.00 0.00 O ATOM 1394 CB ALA A 90 13.370 6.566 -2.965 1.00 0.00 C ATOM 0 H ALA A 90 11.874 7.876 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 90 14.570 8.194 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.125 6.204 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.442 6.010 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.379 6.423 -3.396 1.00 0.00 H new