USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -99:sc= -0.704 (180deg=-1.63!) USER MOD Single : A 12 THR OG1 : rot -160:sc= -0.69 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 163:sc= -0.962 (180deg=-1.47) USER MOD Single : A 28 ASN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0505 X(o=-0.051,f=0) USER MOD Single : A 40 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.8) USER MOD Single : A 52 THR OG1 : rot 102:sc= 0.0913 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.2) USER MOD Single : A 83 MET CE :methyl -173:sc= -2.04 (180deg=-2.31) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc= -1.48 (180deg=-2.82!) USER MOD Single : A 93 SER OG : rot 27:sc= 0.857 USER MOD Single : A 94 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-5.1!) USER MOD Single : A 102 HIS : no HD1:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 184.730 -9.902 0.298 1.00 0.00 N ATOM 81 CA LYS A 6 184.479 -8.994 -0.816 1.00 0.00 C ATOM 82 C LYS A 6 183.864 -7.688 -0.322 1.00 0.00 C ATOM 83 O LYS A 6 182.825 -7.690 0.336 1.00 0.00 O ATOM 84 CB LYS A 6 183.554 -9.654 -1.841 1.00 0.00 C ATOM 85 CG LYS A 6 184.297 -10.397 -2.941 1.00 0.00 C ATOM 86 CD LYS A 6 183.391 -10.689 -4.127 1.00 0.00 C ATOM 87 CE LYS A 6 184.111 -11.500 -5.195 1.00 0.00 C ATOM 88 NZ LYS A 6 184.261 -10.737 -6.465 1.00 0.00 N ATOM 0 HA LYS A 6 185.433 -8.768 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 6 182.893 -10.351 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 6 182.922 -8.890 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 6 185.150 -9.803 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 6 184.694 -11.332 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 6 182.510 -11.234 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 6 183.039 -9.751 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 6 185.095 -11.791 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 6 183.558 -12.419 -5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 184.756 -11.324 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 183.321 -10.481 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 184.811 -9.872 -6.288 1.00 0.00 H new ATOM 102 N LYS A 7 184.515 -6.574 -0.645 1.00 0.00 N ATOM 103 CA LYS A 7 184.034 -5.259 -0.235 1.00 0.00 C ATOM 104 C LYS A 7 183.091 -4.674 -1.282 1.00 0.00 C ATOM 105 O LYS A 7 182.858 -5.280 -2.327 1.00 0.00 O ATOM 106 CB LYS A 7 185.216 -4.312 -0.010 1.00 0.00 C ATOM 107 CG LYS A 7 185.980 -4.583 1.281 1.00 0.00 C ATOM 108 CD LYS A 7 185.720 -3.525 2.358 1.00 0.00 C ATOM 109 CE LYS A 7 184.317 -2.922 2.290 1.00 0.00 C ATOM 110 NZ LYS A 7 184.313 -1.610 1.585 1.00 0.00 N ATOM 0 H LYS A 7 185.377 -6.556 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 7 183.484 -5.374 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.903 -4.395 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 7 184.850 -3.285 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 7 185.698 -5.563 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 7 187.048 -4.620 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 7 185.868 -3.973 3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 7 186.456 -2.727 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 7 183.649 -3.613 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 7 183.927 -2.793 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 184.315 -0.840 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 185.160 -1.535 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 183.462 -1.537 0.992 1.00 0.00 H new ATOM 124 N LEU A 8 182.552 -3.494 -0.994 1.00 0.00 N ATOM 125 CA LEU A 8 181.635 -2.829 -1.910 1.00 0.00 C ATOM 126 C LEU A 8 181.906 -1.330 -1.971 1.00 0.00 C ATOM 127 O LEU A 8 182.094 -0.680 -0.942 1.00 0.00 O ATOM 128 CB LEU A 8 180.187 -3.081 -1.484 1.00 0.00 C ATOM 129 CG LEU A 8 179.437 -4.102 -2.336 1.00 0.00 C ATOM 130 CD1 LEU A 8 178.137 -4.510 -1.661 1.00 0.00 C ATOM 131 CD2 LEU A 8 179.169 -3.540 -3.724 1.00 0.00 C ATOM 0 H LEU A 8 182.735 -2.979 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 8 181.795 -3.244 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 8 180.182 -3.419 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.645 -2.136 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 8 180.060 -4.990 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.617 -5.238 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 8 178.355 -4.953 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.506 -3.632 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.634 -4.280 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.566 -2.636 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 8 180.116 -3.301 -4.209 1.00 0.00 H new ATOM 143 N ASP A 9 181.919 -0.788 -3.183 1.00 0.00 N ATOM 144 CA ASP A 9 182.159 0.636 -3.383 1.00 0.00 C ATOM 145 C ASP A 9 180.898 1.441 -3.077 1.00 0.00 C ATOM 146 O ASP A 9 179.805 0.883 -2.988 1.00 0.00 O ATOM 147 CB ASP A 9 182.615 0.901 -4.819 1.00 0.00 C ATOM 148 CG ASP A 9 184.125 0.942 -4.948 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.761 -0.125 -4.823 1.00 0.00 O ATOM 150 OD2 ASP A 9 184.672 2.043 -5.173 1.00 0.00 O ATOM 0 H ASP A 9 181.766 -1.314 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 9 182.947 0.951 -2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 9 182.218 0.124 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 9 182.198 1.848 -5.161 1.00 0.00 H new ATOM 155 N PRO A 10 181.033 2.768 -2.912 1.00 0.00 N ATOM 156 CA PRO A 10 179.895 3.644 -2.616 1.00 0.00 C ATOM 157 C PRO A 10 178.807 3.555 -3.680 1.00 0.00 C ATOM 158 O PRO A 10 177.663 3.207 -3.385 1.00 0.00 O ATOM 159 CB PRO A 10 180.508 5.052 -2.591 1.00 0.00 C ATOM 160 CG PRO A 10 181.829 4.919 -3.271 1.00 0.00 C ATOM 161 CD PRO A 10 182.294 3.518 -3.001 1.00 0.00 C ATOM 0 HA PRO A 10 179.407 3.368 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.870 5.768 -3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 10 180.626 5.411 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.737 5.100 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 10 182.542 5.648 -2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.932 3.142 -3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.869 3.454 -2.077 1.00 0.00 H new ATOM 169 N ASP A 11 179.170 3.871 -4.918 1.00 0.00 N ATOM 170 CA ASP A 11 178.225 3.827 -6.028 1.00 0.00 C ATOM 171 C ASP A 11 177.732 2.404 -6.272 1.00 0.00 C ATOM 172 O ASP A 11 176.606 2.196 -6.725 1.00 0.00 O ATOM 173 CB ASP A 11 178.873 4.379 -7.299 1.00 0.00 C ATOM 174 CG ASP A 11 177.861 4.649 -8.394 1.00 0.00 C ATOM 175 OD1 ASP A 11 177.206 3.687 -8.847 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.723 5.822 -8.800 1.00 0.00 O ATOM 0 H ASP A 11 180.113 4.161 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 11 177.368 4.447 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.403 5.302 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 11 179.616 3.669 -7.662 1.00 0.00 H new ATOM 181 N THR A 12 178.582 1.427 -5.973 1.00 0.00 N ATOM 182 CA THR A 12 178.232 0.024 -6.163 1.00 0.00 C ATOM 183 C THR A 12 177.232 -0.438 -5.107 1.00 0.00 C ATOM 184 O THR A 12 176.266 -1.137 -5.416 1.00 0.00 O ATOM 185 CB THR A 12 179.486 -0.849 -6.111 1.00 0.00 C ATOM 186 OG1 THR A 12 180.507 -0.307 -6.930 1.00 0.00 O ATOM 187 CG2 THR A 12 179.244 -2.273 -6.562 1.00 0.00 C ATOM 0 H THR A 12 179.518 1.581 -5.598 1.00 0.00 H new ATOM 0 HA THR A 12 177.768 -0.077 -7.144 1.00 0.00 H new ATOM 0 HB THR A 12 179.785 -0.863 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 12 181.162 -1.005 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 12 180.175 -2.837 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 12 178.495 -2.736 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 12 178.887 -2.273 -7.592 1.00 0.00 H new ATOM 195 N ALA A 13 177.463 -0.035 -3.861 1.00 0.00 N ATOM 196 CA ALA A 13 176.577 -0.402 -2.763 1.00 0.00 C ATOM 197 C ALA A 13 175.169 0.129 -3.002 1.00 0.00 C ATOM 198 O ALA A 13 174.182 -0.518 -2.651 1.00 0.00 O ATOM 199 CB ALA A 13 177.126 0.123 -1.445 1.00 0.00 C ATOM 0 H ALA A 13 178.256 0.545 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 13 176.526 -1.490 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 13 176.455 -0.158 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 13 178.112 -0.305 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 177.205 1.209 -1.491 1.00 0.00 H new ATOM 205 N ILE A 14 175.085 1.308 -3.608 1.00 0.00 N ATOM 206 CA ILE A 14 173.798 1.924 -3.904 1.00 0.00 C ATOM 207 C ILE A 14 173.089 1.176 -5.027 1.00 0.00 C ATOM 208 O ILE A 14 171.963 0.706 -4.859 1.00 0.00 O ATOM 209 CB ILE A 14 173.959 3.405 -4.302 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.752 4.158 -3.233 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.597 4.052 -4.511 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.420 5.415 -3.748 1.00 0.00 C ATOM 0 H ILE A 14 175.893 1.856 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 14 173.198 1.870 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 14 174.510 3.454 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 14 174.083 4.422 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.513 3.494 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.730 5.097 -4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.063 3.528 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 14 172.021 3.995 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.964 5.897 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 14 176.115 5.157 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.663 6.098 -4.133 1.00 0.00 H new ATOM 224 N ASP A 15 173.758 1.071 -6.173 1.00 0.00 N ATOM 225 CA ASP A 15 173.202 0.381 -7.336 1.00 0.00 C ATOM 226 C ASP A 15 172.522 -0.926 -6.932 1.00 0.00 C ATOM 227 O ASP A 15 171.460 -1.270 -7.452 1.00 0.00 O ATOM 228 CB ASP A 15 174.304 0.103 -8.363 1.00 0.00 C ATOM 229 CG ASP A 15 174.120 0.902 -9.638 1.00 0.00 C ATOM 230 OD1 ASP A 15 173.421 0.412 -10.550 1.00 0.00 O ATOM 231 OD2 ASP A 15 174.676 2.017 -9.726 1.00 0.00 O ATOM 0 H ASP A 15 174.690 1.457 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 15 172.450 1.030 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 15 175.273 0.341 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 15 174.314 -0.960 -8.602 1.00 0.00 H new ATOM 236 N ILE A 16 173.134 -1.645 -5.995 1.00 0.00 N ATOM 237 CA ILE A 16 172.575 -2.906 -5.521 1.00 0.00 C ATOM 238 C ILE A 16 171.258 -2.668 -4.790 1.00 0.00 C ATOM 239 O ILE A 16 170.219 -3.214 -5.164 1.00 0.00 O ATOM 240 CB ILE A 16 173.549 -3.644 -4.580 1.00 0.00 C ATOM 241 CG1 ILE A 16 174.921 -3.786 -5.237 1.00 0.00 C ATOM 242 CG2 ILE A 16 172.998 -5.011 -4.214 1.00 0.00 C ATOM 243 CD1 ILE A 16 176.071 -3.686 -4.259 1.00 0.00 C ATOM 0 H ILE A 16 174.013 -1.377 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 16 172.401 -3.528 -6.399 1.00 0.00 H new ATOM 0 HB ILE A 16 173.659 -3.057 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.972 -4.747 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 16 175.033 -3.013 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 16 173.697 -5.519 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 16 172.039 -4.894 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 16 172.862 -5.603 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 16 177.014 -3.796 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 16 176.045 -2.715 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 16 175.983 -4.475 -3.513 1.00 0.00 H new ATOM 255 N ALA A 17 171.305 -1.840 -3.751 1.00 0.00 N ATOM 256 CA ALA A 17 170.113 -1.522 -2.974 1.00 0.00 C ATOM 257 C ALA A 17 169.018 -0.954 -3.870 1.00 0.00 C ATOM 258 O ALA A 17 167.829 -1.111 -3.591 1.00 0.00 O ATOM 259 CB ALA A 17 170.454 -0.540 -1.863 1.00 0.00 C ATOM 0 H ALA A 17 172.155 -1.378 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 17 169.741 -2.443 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.555 -0.311 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 17 171.201 -0.982 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.851 0.378 -2.298 1.00 0.00 H new ATOM 265 N TYR A 18 169.430 -0.296 -4.950 1.00 0.00 N ATOM 266 CA TYR A 18 168.486 0.292 -5.892 1.00 0.00 C ATOM 267 C TYR A 18 167.633 -0.788 -6.548 1.00 0.00 C ATOM 268 O TYR A 18 166.405 -0.737 -6.496 1.00 0.00 O ATOM 269 CB TYR A 18 169.231 1.092 -6.962 1.00 0.00 C ATOM 270 CG TYR A 18 168.361 2.098 -7.682 1.00 0.00 C ATOM 271 CD1 TYR A 18 167.460 1.692 -8.657 1.00 0.00 C ATOM 272 CD2 TYR A 18 168.442 3.452 -7.385 1.00 0.00 C ATOM 273 CE1 TYR A 18 166.662 2.608 -9.317 1.00 0.00 C ATOM 274 CE2 TYR A 18 167.648 4.374 -8.039 1.00 0.00 C ATOM 275 CZ TYR A 18 166.760 3.947 -9.004 1.00 0.00 C ATOM 276 OH TYR A 18 165.968 4.863 -9.658 1.00 0.00 O ATOM 0 H TYR A 18 170.411 -0.157 -5.193 1.00 0.00 H new ATOM 0 HA TYR A 18 167.829 0.964 -5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 18 170.067 1.614 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 18 169.653 0.401 -7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 18 167.381 0.644 -8.904 1.00 0.00 H new ATOM 0 HD2 TYR A 18 169.137 3.790 -6.630 1.00 0.00 H new ATOM 0 HE1 TYR A 18 165.966 2.277 -10.073 1.00 0.00 H new ATOM 0 HE2 TYR A 18 167.722 5.424 -7.796 1.00 0.00 H new ATOM 0 HH TYR A 18 166.160 5.762 -9.319 1.00 0.00 H new ATOM 286 N ASP A 19 168.292 -1.767 -7.164 1.00 0.00 N ATOM 287 CA ASP A 19 167.587 -2.859 -7.827 1.00 0.00 C ATOM 288 C ASP A 19 166.640 -3.560 -6.856 1.00 0.00 C ATOM 289 O ASP A 19 165.582 -4.056 -7.252 1.00 0.00 O ATOM 290 CB ASP A 19 168.583 -3.864 -8.412 1.00 0.00 C ATOM 291 CG ASP A 19 169.369 -4.598 -7.343 1.00 0.00 C ATOM 292 OD1 ASP A 19 168.741 -5.281 -6.507 1.00 0.00 O ATOM 293 OD2 ASP A 19 170.613 -4.491 -7.342 1.00 0.00 O ATOM 0 H ASP A 19 169.309 -1.826 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 19 166.997 -2.437 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.045 -4.588 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 19 169.275 -3.341 -9.072 1.00 0.00 H new ATOM 298 N ILE A 20 167.016 -3.580 -5.580 1.00 0.00 N ATOM 299 CA ILE A 20 166.187 -4.204 -4.558 1.00 0.00 C ATOM 300 C ILE A 20 164.862 -3.461 -4.431 1.00 0.00 C ATOM 301 O ILE A 20 163.832 -3.943 -4.893 1.00 0.00 O ATOM 302 CB ILE A 20 166.902 -4.240 -3.191 1.00 0.00 C ATOM 303 CG1 ILE A 20 168.230 -4.990 -3.310 1.00 0.00 C ATOM 304 CG2 ILE A 20 166.016 -4.894 -2.140 1.00 0.00 C ATOM 305 CD1 ILE A 20 169.081 -4.919 -2.061 1.00 0.00 C ATOM 0 H ILE A 20 167.884 -3.173 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 20 165.999 -5.232 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 20 167.105 -3.216 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 20 168.027 -6.036 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 20 168.795 -4.581 -4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.538 -4.910 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 20 165.091 -4.326 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.784 -5.915 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 20 170.006 -5.473 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 20 169.315 -3.878 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.536 -5.355 -1.224 1.00 0.00 H new ATOM 317 N PHE A 21 164.896 -2.281 -3.812 1.00 0.00 N ATOM 318 CA PHE A 21 163.697 -1.460 -3.632 1.00 0.00 C ATOM 319 C PHE A 21 162.803 -1.498 -4.872 1.00 0.00 C ATOM 320 O PHE A 21 161.579 -1.416 -4.774 1.00 0.00 O ATOM 321 CB PHE A 21 164.108 -0.015 -3.334 1.00 0.00 C ATOM 322 CG PHE A 21 162.955 0.945 -3.223 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.969 0.757 -2.271 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.865 2.039 -4.069 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.912 1.641 -2.163 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.811 2.927 -3.967 1.00 0.00 C ATOM 327 CZ PHE A 21 160.833 2.728 -3.012 1.00 0.00 C ATOM 0 H PHE A 21 165.745 -1.870 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 21 163.128 -1.865 -2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.674 0.005 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.778 0.330 -4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 21 162.026 -0.091 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.628 2.199 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.149 1.482 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.752 3.775 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.008 3.421 -2.929 1.00 0.00 H new ATOM 337 N LEU A 22 163.432 -1.615 -6.036 1.00 0.00 N ATOM 338 CA LEU A 22 162.711 -1.655 -7.302 1.00 0.00 C ATOM 339 C LEU A 22 161.808 -2.884 -7.402 1.00 0.00 C ATOM 340 O LEU A 22 160.671 -2.789 -7.864 1.00 0.00 O ATOM 341 CB LEU A 22 163.705 -1.648 -8.467 1.00 0.00 C ATOM 342 CG LEU A 22 163.452 -0.587 -9.540 1.00 0.00 C ATOM 343 CD1 LEU A 22 163.287 0.787 -8.908 1.00 0.00 C ATOM 344 CD2 LEU A 22 164.590 -0.581 -10.548 1.00 0.00 C ATOM 0 H LEU A 22 164.445 -1.684 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 22 162.077 -0.770 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 22 164.708 -1.502 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 22 163.691 -2.630 -8.940 1.00 0.00 H new ATOM 0 HG LEU A 22 162.527 -0.832 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 22 163.108 1.527 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 22 162.441 0.772 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 22 164.194 1.048 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 22 164.400 0.178 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 22 165.527 -0.357 -10.038 1.00 0.00 H new ATOM 0 HD23 LEU A 22 164.661 -1.560 -11.023 1.00 0.00 H new ATOM 356 N GLU A 23 162.321 -4.039 -6.984 1.00 0.00 N ATOM 357 CA GLU A 23 161.551 -5.280 -7.052 1.00 0.00 C ATOM 358 C GLU A 23 161.046 -5.718 -5.676 1.00 0.00 C ATOM 359 O GLU A 23 160.008 -6.371 -5.567 1.00 0.00 O ATOM 360 CB GLU A 23 162.406 -6.387 -7.670 1.00 0.00 C ATOM 361 CG GLU A 23 163.540 -6.860 -6.772 1.00 0.00 C ATOM 362 CD GLU A 23 163.388 -8.309 -6.351 1.00 0.00 C ATOM 363 OE1 GLU A 23 162.851 -9.106 -7.149 1.00 0.00 O ATOM 364 OE2 GLU A 23 163.805 -8.646 -5.223 1.00 0.00 O ATOM 0 H GLU A 23 163.259 -4.142 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 23 160.678 -5.094 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 23 161.766 -7.236 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.825 -6.028 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 23 164.488 -6.735 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 23 163.581 -6.230 -5.883 1.00 0.00 H new ATOM 371 N MET A 24 161.786 -5.366 -4.631 1.00 0.00 N ATOM 372 CA MET A 24 161.415 -5.734 -3.269 1.00 0.00 C ATOM 373 C MET A 24 160.193 -4.954 -2.794 1.00 0.00 C ATOM 374 O MET A 24 159.178 -5.543 -2.419 1.00 0.00 O ATOM 375 CB MET A 24 162.591 -5.493 -2.319 1.00 0.00 C ATOM 376 CG MET A 24 163.221 -6.773 -1.793 1.00 0.00 C ATOM 377 SD MET A 24 163.706 -6.649 -0.061 1.00 0.00 S ATOM 378 CE MET A 24 162.119 -6.832 0.749 1.00 0.00 C ATOM 0 H MET A 24 162.648 -4.825 -4.701 1.00 0.00 H new ATOM 0 HA MET A 24 161.160 -6.794 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 24 163.352 -4.910 -2.837 1.00 0.00 H new ATOM 0 HB3 MET A 24 162.249 -4.893 -1.476 1.00 0.00 H new ATOM 0 HG2 MET A 24 162.515 -7.595 -1.910 1.00 0.00 H new ATOM 0 HG3 MET A 24 164.097 -7.016 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 24 162.273 -7.079 1.800 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.562 -5.898 0.673 1.00 0.00 H new ATOM 0 HE3 MET A 24 161.555 -7.631 0.268 1.00 0.00 H new ATOM 388 N ALA A 25 160.295 -3.628 -2.808 1.00 0.00 N ATOM 389 CA ALA A 25 159.196 -2.770 -2.372 1.00 0.00 C ATOM 390 C ALA A 25 157.884 -3.159 -3.048 1.00 0.00 C ATOM 391 O ALA A 25 157.753 -3.065 -4.269 1.00 0.00 O ATOM 392 CB ALA A 25 159.524 -1.313 -2.658 1.00 0.00 C ATOM 0 H ALA A 25 161.126 -3.124 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 25 159.071 -2.904 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.698 -0.683 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 25 160.431 -1.032 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.679 -1.178 -3.728 1.00 0.00 H new ATOM 398 N GLY A 26 156.912 -3.597 -2.250 1.00 0.00 N ATOM 399 CA GLY A 26 155.628 -3.990 -2.802 1.00 0.00 C ATOM 400 C GLY A 26 154.638 -4.444 -1.744 1.00 0.00 C ATOM 401 O GLY A 26 153.871 -3.639 -1.216 1.00 0.00 O ATOM 0 H GLY A 26 156.991 -3.686 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 26 155.203 -3.150 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 26 155.779 -4.797 -3.519 1.00 0.00 H new ATOM 405 N GLU A 27 154.646 -5.740 -1.446 1.00 0.00 N ATOM 406 CA GLU A 27 153.732 -6.306 -0.456 1.00 0.00 C ATOM 407 C GLU A 27 154.253 -6.131 0.971 1.00 0.00 C ATOM 408 O GLU A 27 153.630 -6.598 1.924 1.00 0.00 O ATOM 409 CB GLU A 27 153.499 -7.791 -0.745 1.00 0.00 C ATOM 410 CG GLU A 27 152.249 -8.062 -1.566 1.00 0.00 C ATOM 411 CD GLU A 27 151.814 -9.512 -1.503 1.00 0.00 C ATOM 412 OE1 GLU A 27 152.166 -10.196 -0.519 1.00 0.00 O ATOM 413 OE2 GLU A 27 151.121 -9.966 -2.439 1.00 0.00 O ATOM 0 H GLU A 27 155.275 -6.419 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 27 152.790 -5.764 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 27 154.365 -8.190 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 27 153.427 -8.330 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 27 151.439 -7.427 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 27 152.434 -7.787 -2.604 1.00 0.00 H new ATOM 420 N ASN A 28 155.393 -5.462 1.119 1.00 0.00 N ATOM 421 CA ASN A 28 155.976 -5.242 2.438 1.00 0.00 C ATOM 422 C ASN A 28 155.728 -3.814 2.915 1.00 0.00 C ATOM 423 O ASN A 28 155.118 -3.594 3.961 1.00 0.00 O ATOM 424 CB ASN A 28 157.478 -5.529 2.409 1.00 0.00 C ATOM 425 CG ASN A 28 157.780 -7.009 2.279 1.00 0.00 C ATOM 426 OD1 ASN A 28 158.321 -7.627 3.196 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.432 -7.585 1.134 1.00 0.00 N ATOM 0 H ASN A 28 155.928 -5.065 0.347 1.00 0.00 H new ATOM 0 HA ASN A 28 155.495 -5.926 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.932 -4.994 1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.936 -5.146 3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.611 -8.578 0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 28 156.986 -7.034 0.401 1.00 0.00 H new ATOM 434 N LEU A 29 156.209 -2.849 2.141 1.00 0.00 N ATOM 435 CA LEU A 29 156.046 -1.439 2.477 1.00 0.00 C ATOM 436 C LEU A 29 154.571 -1.042 2.468 1.00 0.00 C ATOM 437 O LEU A 29 153.821 -1.416 1.567 1.00 0.00 O ATOM 438 CB LEU A 29 156.844 -0.583 1.493 1.00 0.00 C ATOM 439 CG LEU A 29 156.660 0.932 1.625 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.986 1.655 1.436 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.643 1.428 0.609 1.00 0.00 C ATOM 0 H LEU A 29 156.717 -3.018 1.273 1.00 0.00 H new ATOM 0 HA LEU A 29 156.426 -1.271 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.902 -0.813 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.569 -0.876 0.480 1.00 0.00 H new ATOM 0 HG LEU A 29 156.292 1.147 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.832 2.730 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.694 1.320 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.383 1.434 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.521 2.506 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.992 1.198 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.686 0.936 0.782 1.00 0.00 H new ATOM 453 N ASP A 30 154.164 -0.297 3.492 1.00 0.00 N ATOM 454 CA ASP A 30 152.774 0.147 3.638 1.00 0.00 C ATOM 455 C ASP A 30 152.192 0.651 2.315 1.00 0.00 C ATOM 456 O ASP A 30 152.850 1.374 1.575 1.00 0.00 O ATOM 457 CB ASP A 30 152.682 1.246 4.699 1.00 0.00 C ATOM 458 CG ASP A 30 152.155 0.728 6.023 1.00 0.00 C ATOM 459 OD1 ASP A 30 152.891 -0.017 6.705 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.006 1.066 6.378 1.00 0.00 O ATOM 0 H ASP A 30 154.781 0.016 4.241 1.00 0.00 H new ATOM 0 HA ASP A 30 152.186 -0.716 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.668 1.685 4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.031 2.042 4.338 1.00 0.00 H new ATOM 465 N PRO A 31 150.935 0.282 2.005 1.00 0.00 N ATOM 466 CA PRO A 31 150.265 0.701 0.771 1.00 0.00 C ATOM 467 C PRO A 31 150.390 2.200 0.511 1.00 0.00 C ATOM 468 O PRO A 31 150.635 2.624 -0.618 1.00 0.00 O ATOM 469 CB PRO A 31 148.793 0.314 0.996 1.00 0.00 C ATOM 470 CG PRO A 31 148.693 -0.104 2.428 1.00 0.00 C ATOM 471 CD PRO A 31 150.064 -0.564 2.828 1.00 0.00 C ATOM 0 HA PRO A 31 150.711 0.226 -0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.132 1.155 0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.496 -0.497 0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.363 0.726 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.963 -0.904 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 31 150.246 -0.419 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 31 150.213 -1.624 2.620 1.00 0.00 H new ATOM 479 N ALA A 32 150.214 3.001 1.557 1.00 0.00 N ATOM 480 CA ALA A 32 150.303 4.453 1.431 1.00 0.00 C ATOM 481 C ALA A 32 151.613 4.881 0.772 1.00 0.00 C ATOM 482 O ALA A 32 151.611 5.540 -0.270 1.00 0.00 O ATOM 483 CB ALA A 32 150.161 5.108 2.797 1.00 0.00 C ATOM 0 H ALA A 32 150.009 2.671 2.500 1.00 0.00 H new ATOM 0 HA ALA A 32 149.486 4.783 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.229 6.191 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.195 4.846 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.958 4.757 3.453 1.00 0.00 H new ATOM 489 N ASP A 33 152.730 4.506 1.389 1.00 0.00 N ATOM 490 CA ASP A 33 154.045 4.858 0.864 1.00 0.00 C ATOM 491 C ASP A 33 154.232 4.331 -0.558 1.00 0.00 C ATOM 492 O ASP A 33 155.018 4.880 -1.329 1.00 0.00 O ATOM 493 CB ASP A 33 155.147 4.325 1.783 1.00 0.00 C ATOM 494 CG ASP A 33 155.354 5.204 3.001 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.550 6.139 3.204 1.00 0.00 O ATOM 496 OD2 ASP A 33 156.320 4.959 3.751 1.00 0.00 O ATOM 0 H ASP A 33 152.751 3.960 2.250 1.00 0.00 H new ATOM 0 HA ASP A 33 154.114 5.945 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.892 3.315 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.081 4.255 1.225 1.00 0.00 H new ATOM 501 N ILE A 34 153.498 3.277 -0.908 1.00 0.00 N ATOM 502 CA ILE A 34 153.586 2.707 -2.249 1.00 0.00 C ATOM 503 C ILE A 34 153.014 3.683 -3.268 1.00 0.00 C ATOM 504 O ILE A 34 153.652 3.999 -4.273 1.00 0.00 O ATOM 505 CB ILE A 34 152.828 1.365 -2.356 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.420 0.336 -1.395 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.867 0.841 -3.785 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.614 -0.942 -1.312 1.00 0.00 C ATOM 0 H ILE A 34 152.841 2.804 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 34 154.640 2.522 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 34 151.788 1.537 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.435 0.097 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.491 0.777 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.328 -0.105 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.398 1.565 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.903 0.687 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 34 153.091 -1.628 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.605 -0.714 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.564 -1.405 -2.297 1.00 0.00 H new ATOM 520 N LEU A 35 151.804 4.162 -2.994 1.00 0.00 N ATOM 521 CA LEU A 35 151.134 5.110 -3.875 1.00 0.00 C ATOM 522 C LEU A 35 152.025 6.318 -4.147 1.00 0.00 C ATOM 523 O LEU A 35 152.251 6.688 -5.298 1.00 0.00 O ATOM 524 CB LEU A 35 149.812 5.565 -3.254 1.00 0.00 C ATOM 525 CG LEU A 35 149.047 6.623 -4.055 1.00 0.00 C ATOM 526 CD1 LEU A 35 147.733 6.058 -4.572 1.00 0.00 C ATOM 527 CD2 LEU A 35 148.799 7.861 -3.205 1.00 0.00 C ATOM 0 H LEU A 35 151.267 3.907 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 35 150.930 4.611 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.170 4.694 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.013 5.961 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 35 149.656 6.911 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.205 6.825 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 35 147.934 5.203 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.118 5.740 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.254 8.601 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.212 7.589 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 35 149.753 8.281 -2.886 1.00 0.00 H new ATOM 539 N LEU A 36 152.543 6.921 -3.080 1.00 0.00 N ATOM 540 CA LEU A 36 153.421 8.079 -3.214 1.00 0.00 C ATOM 541 C LEU A 36 154.657 7.718 -4.033 1.00 0.00 C ATOM 542 O LEU A 36 154.959 8.353 -5.043 1.00 0.00 O ATOM 543 CB LEU A 36 153.838 8.592 -1.831 1.00 0.00 C ATOM 544 CG LEU A 36 153.374 10.012 -1.498 1.00 0.00 C ATOM 545 CD1 LEU A 36 152.403 9.999 -0.326 1.00 0.00 C ATOM 546 CD2 LEU A 36 154.566 10.908 -1.192 1.00 0.00 C ATOM 0 H LEU A 36 152.371 6.629 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 36 152.876 8.868 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 36 153.446 7.912 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 36 154.925 8.556 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 36 152.856 10.414 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 36 152.085 11.018 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 36 151.533 9.395 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 152.895 9.575 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 154.215 11.913 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.113 10.507 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 36 155.224 10.947 -2.060 1.00 0.00 H new ATOM 558 N PHE A 37 155.359 6.682 -3.588 1.00 0.00 N ATOM 559 CA PHE A 37 156.562 6.207 -4.267 1.00 0.00 C ATOM 560 C PHE A 37 156.332 6.103 -5.776 1.00 0.00 C ATOM 561 O PHE A 37 157.259 6.264 -6.569 1.00 0.00 O ATOM 562 CB PHE A 37 156.977 4.846 -3.689 1.00 0.00 C ATOM 563 CG PHE A 37 157.862 4.027 -4.590 1.00 0.00 C ATOM 564 CD1 PHE A 37 158.943 4.603 -5.237 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.608 2.679 -4.788 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.754 3.849 -6.064 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.417 1.921 -5.612 1.00 0.00 C ATOM 568 CZ PHE A 37 159.491 2.507 -6.252 1.00 0.00 C ATOM 0 H PHE A 37 155.114 6.150 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 37 157.365 6.925 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.495 5.010 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.078 4.272 -3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.154 5.652 -5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.768 2.216 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.594 4.310 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.210 0.871 -5.756 1.00 0.00 H new ATOM 0 HZ PHE A 37 160.124 1.917 -6.898 1.00 0.00 H new ATOM 578 N ASN A 38 155.089 5.831 -6.163 1.00 0.00 N ATOM 579 CA ASN A 38 154.737 5.701 -7.573 1.00 0.00 C ATOM 580 C ASN A 38 154.547 7.067 -8.230 1.00 0.00 C ATOM 581 O ASN A 38 155.225 7.397 -9.203 1.00 0.00 O ATOM 582 CB ASN A 38 153.462 4.867 -7.723 1.00 0.00 C ATOM 583 CG ASN A 38 153.745 3.463 -8.220 1.00 0.00 C ATOM 584 OD1 ASN A 38 153.111 2.986 -9.161 1.00 0.00 O ATOM 585 ND2 ASN A 38 154.703 2.794 -7.589 1.00 0.00 N ATOM 0 H ASN A 38 154.309 5.696 -5.520 1.00 0.00 H new ATOM 0 HA ASN A 38 155.561 5.196 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.951 4.813 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 38 152.785 5.365 -8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 38 154.939 1.845 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 38 155.203 3.229 -6.814 1.00 0.00 H new ATOM 592 N LEU A 39 153.611 7.852 -7.703 1.00 0.00 N ATOM 593 CA LEU A 39 153.323 9.175 -8.252 1.00 0.00 C ATOM 594 C LEU A 39 154.516 10.119 -8.115 1.00 0.00 C ATOM 595 O LEU A 39 154.610 11.113 -8.835 1.00 0.00 O ATOM 596 CB LEU A 39 152.099 9.789 -7.564 1.00 0.00 C ATOM 597 CG LEU A 39 150.753 9.128 -7.883 1.00 0.00 C ATOM 598 CD1 LEU A 39 150.669 8.736 -9.351 1.00 0.00 C ATOM 599 CD2 LEU A 39 150.535 7.917 -6.992 1.00 0.00 C ATOM 0 H LEU A 39 153.040 7.596 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 39 153.115 9.044 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.255 9.751 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.040 10.842 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 39 149.963 9.853 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 39 149.704 8.270 -9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 39 150.776 9.626 -9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 39 151.467 8.032 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 39 149.575 7.458 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.334 7.194 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 39 150.539 8.228 -5.947 1.00 0.00 H new ATOM 611 N GLN A 40 155.423 9.816 -7.190 1.00 0.00 N ATOM 612 CA GLN A 40 156.593 10.661 -6.981 1.00 0.00 C ATOM 613 C GLN A 40 157.798 9.849 -6.516 1.00 0.00 C ATOM 614 O GLN A 40 157.776 9.230 -5.452 1.00 0.00 O ATOM 615 CB GLN A 40 156.287 11.766 -5.965 1.00 0.00 C ATOM 616 CG GLN A 40 155.451 11.305 -4.782 1.00 0.00 C ATOM 617 CD GLN A 40 154.667 12.444 -4.146 1.00 0.00 C ATOM 618 OE1 GLN A 40 155.214 13.519 -3.902 1.00 0.00 O ATOM 619 NE2 GLN A 40 153.383 12.220 -3.872 1.00 0.00 N ATOM 0 H GLN A 40 155.371 9.000 -6.580 1.00 0.00 H new ATOM 0 HA GLN A 40 156.840 11.115 -7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.227 12.175 -5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 40 155.764 12.577 -6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 40 154.759 10.530 -5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.103 10.854 -4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 40 152.965 11.315 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 40 152.817 12.953 -3.445 1.00 0.00 H new ATOM 628 N PHE A 41 158.851 9.875 -7.324 1.00 0.00 N ATOM 629 CA PHE A 41 160.088 9.164 -7.017 1.00 0.00 C ATOM 630 C PHE A 41 161.120 9.373 -8.121 1.00 0.00 C ATOM 631 O PHE A 41 162.322 9.383 -7.864 1.00 0.00 O ATOM 632 CB PHE A 41 159.838 7.669 -6.823 1.00 0.00 C ATOM 633 CG PHE A 41 161.056 6.937 -6.335 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.368 6.909 -4.985 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.897 6.291 -7.227 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.494 6.247 -4.534 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.026 5.629 -6.782 1.00 0.00 C ATOM 638 CZ PHE A 41 163.325 5.607 -5.433 1.00 0.00 C ATOM 0 H PHE A 41 158.873 10.386 -8.206 1.00 0.00 H new ATOM 0 HA PHE A 41 160.475 9.573 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.025 7.530 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.511 7.234 -7.767 1.00 0.00 H new ATOM 0 HD1 PHE A 41 160.724 7.410 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.668 6.305 -8.282 1.00 0.00 H new ATOM 0 HE1 PHE A 41 162.724 6.230 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.673 5.130 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.206 5.091 -5.082 1.00 0.00 H new ATOM 648 N GLU A 42 160.645 9.536 -9.353 1.00 0.00 N ATOM 649 CA GLU A 42 161.532 9.744 -10.494 1.00 0.00 C ATOM 650 C GLU A 42 162.570 10.822 -10.191 1.00 0.00 C ATOM 651 O GLU A 42 163.770 10.551 -10.162 1.00 0.00 O ATOM 652 CB GLU A 42 160.721 10.135 -11.731 1.00 0.00 C ATOM 653 CG GLU A 42 161.531 10.124 -13.017 1.00 0.00 C ATOM 654 CD GLU A 42 160.658 10.118 -14.256 1.00 0.00 C ATOM 655 OE1 GLU A 42 159.590 10.767 -14.234 1.00 0.00 O ATOM 656 OE2 GLU A 42 161.042 9.466 -15.250 1.00 0.00 O ATOM 0 H GLU A 42 159.652 9.528 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 42 162.055 8.808 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 42 159.880 9.450 -11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.304 11.131 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 42 162.182 10.998 -13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.177 9.246 -13.028 1.00 0.00 H new ATOM 663 N GLU A 43 162.099 12.045 -9.968 1.00 0.00 N ATOM 664 CA GLU A 43 162.986 13.164 -9.669 1.00 0.00 C ATOM 665 C GLU A 43 163.413 13.152 -8.203 1.00 0.00 C ATOM 666 O GLU A 43 164.528 13.552 -7.869 1.00 0.00 O ATOM 667 CB GLU A 43 162.295 14.489 -9.998 1.00 0.00 C ATOM 668 CG GLU A 43 163.262 15.617 -10.316 1.00 0.00 C ATOM 669 CD GLU A 43 162.790 16.481 -11.469 1.00 0.00 C ATOM 670 OE1 GLU A 43 161.561 16.589 -11.666 1.00 0.00 O ATOM 671 OE2 GLU A 43 163.649 17.049 -12.176 1.00 0.00 O ATOM 0 H GLU A 43 161.108 12.286 -9.989 1.00 0.00 H new ATOM 0 HA GLU A 43 163.878 13.060 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 43 161.630 14.341 -10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.671 14.783 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 43 163.393 16.239 -9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 43 164.238 15.197 -10.558 1.00 0.00 H new ATOM 678 N ARG A 44 162.520 12.692 -7.332 1.00 0.00 N ATOM 679 CA ARG A 44 162.807 12.631 -5.902 1.00 0.00 C ATOM 680 C ARG A 44 163.264 11.234 -5.495 1.00 0.00 C ATOM 681 O ARG A 44 162.981 10.775 -4.390 1.00 0.00 O ATOM 682 CB ARG A 44 161.569 13.028 -5.096 1.00 0.00 C ATOM 683 CG ARG A 44 161.144 14.472 -5.306 1.00 0.00 C ATOM 684 CD ARG A 44 160.188 14.606 -6.480 1.00 0.00 C ATOM 685 NE ARG A 44 159.584 15.935 -6.544 1.00 0.00 N ATOM 686 CZ ARG A 44 158.915 16.396 -7.598 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.762 15.639 -8.678 1.00 0.00 N ATOM 688 NH2 ARG A 44 158.397 17.616 -7.573 1.00 0.00 N ATOM 0 H ARG A 44 161.592 12.356 -7.591 1.00 0.00 H new ATOM 0 HA ARG A 44 163.614 13.333 -5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.743 12.371 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.768 12.867 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.666 14.847 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 44 162.025 15.090 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.723 14.406 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 44 159.403 13.854 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 44 159.681 16.546 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 44 159.158 14.699 -8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 44 158.248 15.997 -9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 44 158.511 18.202 -6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 44 157.884 17.969 -8.381 1.00 0.00 H new ATOM 702 N GLY A 45 163.969 10.563 -6.398 1.00 0.00 N ATOM 703 CA GLY A 45 164.450 9.223 -6.116 1.00 0.00 C ATOM 704 C GLY A 45 165.934 9.190 -5.814 1.00 0.00 C ATOM 705 O GLY A 45 166.709 8.574 -6.546 1.00 0.00 O ATOM 0 H GLY A 45 164.216 10.922 -7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.901 8.815 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 45 164.242 8.579 -6.970 1.00 0.00 H new ATOM 709 N GLY A 46 166.330 9.856 -4.736 1.00 0.00 N ATOM 710 CA GLY A 46 167.731 9.890 -4.359 1.00 0.00 C ATOM 711 C GLY A 46 168.071 8.863 -3.299 1.00 0.00 C ATOM 712 O GLY A 46 167.563 8.925 -2.180 1.00 0.00 O ATOM 0 H GLY A 46 165.706 10.373 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.346 9.714 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.981 10.885 -3.990 1.00 0.00 H new ATOM 716 N VAL A 47 168.934 7.917 -3.650 1.00 0.00 N ATOM 717 CA VAL A 47 169.344 6.874 -2.720 1.00 0.00 C ATOM 718 C VAL A 47 170.731 7.165 -2.154 1.00 0.00 C ATOM 719 O VAL A 47 171.736 7.034 -2.852 1.00 0.00 O ATOM 720 CB VAL A 47 169.352 5.490 -3.398 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.654 4.397 -2.384 1.00 0.00 C ATOM 722 CG2 VAL A 47 168.023 5.230 -4.093 1.00 0.00 C ATOM 0 H VAL A 47 169.363 7.851 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 47 168.618 6.864 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 47 170.140 5.480 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.655 3.428 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.632 4.576 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.892 4.403 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 47 168.046 4.248 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 47 167.217 5.261 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.853 5.995 -4.851 1.00 0.00 H new ATOM 732 N GLU A 48 170.776 7.564 -0.887 1.00 0.00 N ATOM 733 CA GLU A 48 172.040 7.877 -0.229 1.00 0.00 C ATOM 734 C GLU A 48 172.671 6.622 0.362 1.00 0.00 C ATOM 735 O GLU A 48 171.969 5.684 0.740 1.00 0.00 O ATOM 736 CB GLU A 48 171.824 8.920 0.870 1.00 0.00 C ATOM 737 CG GLU A 48 170.913 8.445 1.989 1.00 0.00 C ATOM 738 CD GLU A 48 171.065 9.268 3.253 1.00 0.00 C ATOM 739 OE1 GLU A 48 172.162 9.242 3.850 1.00 0.00 O ATOM 740 OE2 GLU A 48 170.087 9.939 3.647 1.00 0.00 O ATOM 0 H GLU A 48 169.953 7.678 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 48 172.719 8.285 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 48 172.790 9.196 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.401 9.821 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 48 169.877 8.490 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.131 7.400 2.211 1.00 0.00 H new ATOM 747 N PHE A 49 173.999 6.606 0.437 1.00 0.00 N ATOM 748 CA PHE A 49 174.717 5.459 0.978 1.00 0.00 C ATOM 749 C PHE A 49 175.219 5.735 2.393 1.00 0.00 C ATOM 750 O PHE A 49 175.659 6.841 2.707 1.00 0.00 O ATOM 751 CB PHE A 49 175.893 5.093 0.071 1.00 0.00 C ATOM 752 CG PHE A 49 176.650 3.882 0.535 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.994 2.683 0.762 1.00 0.00 C ATOM 754 CD2 PHE A 49 178.018 3.943 0.745 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.687 1.568 1.190 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.717 2.830 1.173 1.00 0.00 C ATOM 757 CZ PHE A 49 178.051 1.641 1.396 1.00 0.00 C ATOM 0 H PHE A 49 174.597 7.373 0.130 1.00 0.00 H new ATOM 0 HA PHE A 49 174.021 4.621 1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.522 4.916 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.577 5.940 0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.928 2.620 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.544 4.870 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 49 176.163 0.640 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.783 2.890 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.595 0.770 1.731 1.00 0.00 H new ATOM 767 N VAL A 50 175.150 4.712 3.236 1.00 0.00 N ATOM 768 CA VAL A 50 175.595 4.811 4.623 1.00 0.00 C ATOM 769 C VAL A 50 176.092 3.454 5.107 1.00 0.00 C ATOM 770 O VAL A 50 175.652 2.419 4.610 1.00 0.00 O ATOM 771 CB VAL A 50 174.461 5.290 5.561 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.625 6.763 5.900 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.093 5.033 4.943 1.00 0.00 C ATOM 0 H VAL A 50 174.786 3.794 2.980 1.00 0.00 H new ATOM 0 HA VAL A 50 176.400 5.545 4.653 1.00 0.00 H new ATOM 0 HB VAL A 50 174.529 4.715 6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.816 7.077 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.582 6.917 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 50 174.595 7.353 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.315 5.379 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 50 173.014 5.571 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 50 172.969 3.965 4.764 1.00 0.00 H new ATOM 783 N GLU A 51 177.011 3.446 6.067 1.00 0.00 N ATOM 784 CA GLU A 51 177.540 2.191 6.585 1.00 0.00 C ATOM 785 C GLU A 51 176.749 1.736 7.807 1.00 0.00 C ATOM 786 O GLU A 51 176.082 2.538 8.461 1.00 0.00 O ATOM 787 CB GLU A 51 179.018 2.347 6.949 1.00 0.00 C ATOM 788 CG GLU A 51 179.942 2.368 5.742 1.00 0.00 C ATOM 789 CD GLU A 51 181.328 1.841 6.060 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.435 0.673 6.489 1.00 0.00 O ATOM 791 OE2 GLU A 51 182.306 2.596 5.879 1.00 0.00 O ATOM 0 H GLU A 51 177.401 4.284 6.498 1.00 0.00 H new ATOM 0 HA GLU A 51 177.444 1.434 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.149 3.270 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.310 1.528 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.504 1.769 4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 51 180.022 3.389 5.368 1.00 0.00 H new ATOM 798 N THR A 52 176.827 0.444 8.108 1.00 0.00 N ATOM 799 CA THR A 52 176.118 -0.127 9.251 1.00 0.00 C ATOM 800 C THR A 52 176.314 0.730 10.504 1.00 0.00 C ATOM 801 O THR A 52 177.167 1.617 10.532 1.00 0.00 O ATOM 802 CB THR A 52 176.606 -1.557 9.498 1.00 0.00 C ATOM 803 OG1 THR A 52 176.348 -2.373 8.370 1.00 0.00 O ATOM 804 CG2 THR A 52 175.965 -2.225 10.697 1.00 0.00 C ATOM 0 H THR A 52 177.376 -0.231 7.575 1.00 0.00 H new ATOM 0 HA THR A 52 175.052 -0.146 9.025 1.00 0.00 H new ATOM 0 HB THR A 52 177.675 -1.461 9.691 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.174 -2.491 7.856 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.362 -3.234 10.806 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.186 -1.649 11.596 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.886 -2.273 10.553 1.00 0.00 H new ATOM 812 N ALA A 53 175.518 0.459 11.534 1.00 0.00 N ATOM 813 CA ALA A 53 175.602 1.203 12.786 1.00 0.00 C ATOM 814 C ALA A 53 176.325 0.395 13.860 1.00 0.00 C ATOM 815 O ALA A 53 176.927 -0.639 13.571 1.00 0.00 O ATOM 816 CB ALA A 53 174.210 1.592 13.262 1.00 0.00 C ATOM 0 H ALA A 53 174.806 -0.272 11.526 1.00 0.00 H new ATOM 0 HA ALA A 53 176.179 2.110 12.603 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.287 2.147 14.197 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.729 2.216 12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.615 0.692 13.422 1.00 0.00 H new ATOM 822 N ASP A 54 176.264 0.874 15.099 1.00 0.00 N ATOM 823 CA ASP A 54 176.916 0.196 16.214 1.00 0.00 C ATOM 824 C ASP A 54 175.891 -0.472 17.128 1.00 0.00 C ATOM 825 O ASP A 54 176.093 -0.567 18.339 1.00 0.00 O ATOM 826 CB ASP A 54 177.767 1.188 17.013 1.00 0.00 C ATOM 827 CG ASP A 54 179.253 0.963 16.816 1.00 0.00 C ATOM 828 OD1 ASP A 54 179.644 0.503 15.722 1.00 0.00 O ATOM 829 OD2 ASP A 54 180.026 1.246 17.755 1.00 0.00 O ATOM 0 H ASP A 54 175.770 1.729 15.356 1.00 0.00 H new ATOM 0 HA ASP A 54 177.563 -0.580 15.805 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.513 2.205 16.713 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.526 1.099 18.072 1.00 0.00 H new ATOM 834 N ASP A 55 174.793 -0.936 16.541 1.00 0.00 N ATOM 835 CA ASP A 55 173.738 -1.597 17.303 1.00 0.00 C ATOM 836 C ASP A 55 172.642 -2.111 16.375 1.00 0.00 C ATOM 837 O ASP A 55 172.519 -3.315 16.150 1.00 0.00 O ATOM 838 CB ASP A 55 173.141 -0.644 18.345 1.00 0.00 C ATOM 839 CG ASP A 55 173.193 0.811 17.915 1.00 0.00 C ATOM 840 OD1 ASP A 55 174.230 1.464 18.153 1.00 0.00 O ATOM 841 OD2 ASP A 55 172.195 1.296 17.341 1.00 0.00 O ATOM 0 H ASP A 55 174.610 -0.867 15.540 1.00 0.00 H new ATOM 0 HA ASP A 55 174.182 -2.446 17.822 1.00 0.00 H new ATOM 0 HB2 ASP A 55 172.105 -0.924 18.535 1.00 0.00 H new ATOM 0 HB3 ASP A 55 173.680 -0.759 19.286 1.00 0.00 H new ATOM 846 N TRP A 56 171.850 -1.188 15.832 1.00 0.00 N ATOM 847 CA TRP A 56 170.765 -1.537 14.920 1.00 0.00 C ATOM 848 C TRP A 56 169.639 -2.292 15.631 1.00 0.00 C ATOM 849 O TRP A 56 168.705 -2.771 14.988 1.00 0.00 O ATOM 850 CB TRP A 56 171.305 -2.373 13.760 1.00 0.00 C ATOM 851 CG TRP A 56 171.414 -1.607 12.480 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.538 -1.034 11.964 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.359 -1.329 11.555 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.247 -0.414 10.772 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.914 -0.582 10.500 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.999 -1.640 11.518 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.153 -0.143 9.419 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.246 -1.204 10.447 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.823 -0.464 9.411 1.00 0.00 C ATOM 0 H TRP A 56 171.941 -0.188 16.010 1.00 0.00 H new ATOM 0 HA TRP A 56 170.346 -0.607 14.536 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.288 -2.762 14.028 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.653 -3.233 13.606 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.515 -1.063 12.424 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.914 0.089 10.186 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.544 -2.212 12.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.596 0.429 8.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.192 -1.439 10.409 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.206 -0.139 8.587 1.00 0.00 H new ATOM 870 N GLU A 57 169.731 -2.401 16.954 1.00 0.00 N ATOM 871 CA GLU A 57 168.717 -3.105 17.734 1.00 0.00 C ATOM 872 C GLU A 57 167.422 -2.296 17.841 1.00 0.00 C ATOM 873 O GLU A 57 166.449 -2.753 18.441 1.00 0.00 O ATOM 874 CB GLU A 57 169.250 -3.419 19.132 1.00 0.00 C ATOM 875 CG GLU A 57 170.349 -4.469 19.142 1.00 0.00 C ATOM 876 CD GLU A 57 170.600 -5.038 20.524 1.00 0.00 C ATOM 877 OE1 GLU A 57 169.779 -5.857 20.987 1.00 0.00 O ATOM 878 OE2 GLU A 57 171.617 -4.664 21.144 1.00 0.00 O ATOM 0 H GLU A 57 170.495 -2.012 17.507 1.00 0.00 H new ATOM 0 HA GLU A 57 168.489 -4.035 17.214 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.631 -2.502 19.581 1.00 0.00 H new ATOM 0 HB3 GLU A 57 168.426 -3.762 19.758 1.00 0.00 H new ATOM 0 HG2 GLU A 57 170.079 -5.278 18.464 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.271 -4.028 18.762 1.00 0.00 H new ATOM 885 N GLU A 58 167.410 -1.096 17.266 1.00 0.00 N ATOM 886 CA GLU A 58 166.228 -0.244 17.310 1.00 0.00 C ATOM 887 C GLU A 58 165.464 -0.293 15.988 1.00 0.00 C ATOM 888 O GLU A 58 164.237 -0.386 15.973 1.00 0.00 O ATOM 889 CB GLU A 58 166.631 1.196 17.632 1.00 0.00 C ATOM 890 CG GLU A 58 167.400 1.881 16.513 1.00 0.00 C ATOM 891 CD GLU A 58 167.824 3.291 16.876 1.00 0.00 C ATOM 892 OE1 GLU A 58 168.450 3.466 17.943 1.00 0.00 O ATOM 893 OE2 GLU A 58 167.530 4.219 16.094 1.00 0.00 O ATOM 0 H GLU A 58 168.203 -0.694 16.766 1.00 0.00 H new ATOM 0 HA GLU A 58 165.570 -0.616 18.095 1.00 0.00 H new ATOM 0 HB2 GLU A 58 165.734 1.775 17.851 1.00 0.00 H new ATOM 0 HB3 GLU A 58 167.241 1.200 18.535 1.00 0.00 H new ATOM 0 HG2 GLU A 58 168.284 1.291 16.270 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.780 1.911 15.617 1.00 0.00 H new ATOM 900 N GLU A 59 166.198 -0.223 14.881 1.00 0.00 N ATOM 901 CA GLU A 59 165.589 -0.251 13.555 1.00 0.00 C ATOM 902 C GLU A 59 165.088 -1.650 13.200 1.00 0.00 C ATOM 903 O GLU A 59 163.908 -1.834 12.902 1.00 0.00 O ATOM 904 CB GLU A 59 166.589 0.234 12.507 1.00 0.00 C ATOM 905 CG GLU A 59 166.712 1.746 12.442 1.00 0.00 C ATOM 906 CD GLU A 59 165.388 2.428 12.157 1.00 0.00 C ATOM 907 OE1 GLU A 59 164.669 1.970 11.244 1.00 0.00 O ATOM 908 OE2 GLU A 59 165.069 3.418 12.849 1.00 0.00 O ATOM 0 H GLU A 59 167.215 -0.146 14.876 1.00 0.00 H new ATOM 0 HA GLU A 59 164.729 0.418 13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 59 167.568 -0.193 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 59 166.288 -0.141 11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 59 167.110 2.115 13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 59 167.429 2.015 11.667 1.00 0.00 H new ATOM 915 N ILE A 60 165.981 -2.638 13.245 1.00 0.00 N ATOM 916 CA ILE A 60 165.600 -4.014 12.937 1.00 0.00 C ATOM 917 C ILE A 60 165.457 -4.841 14.212 1.00 0.00 C ATOM 918 O ILE A 60 164.581 -5.701 14.308 1.00 0.00 O ATOM 919 CB ILE A 60 166.606 -4.703 11.986 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.965 -4.894 12.666 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.754 -3.902 10.699 1.00 0.00 C ATOM 922 CD1 ILE A 60 169.017 -5.491 11.751 1.00 0.00 C ATOM 0 H ILE A 60 166.963 -2.513 13.489 1.00 0.00 H new ATOM 0 HA ILE A 60 164.637 -3.961 12.429 1.00 0.00 H new ATOM 0 HB ILE A 60 166.217 -5.690 11.737 1.00 0.00 H new ATOM 0 HG12 ILE A 60 168.318 -3.930 13.033 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.841 -5.540 13.535 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.465 -4.400 10.040 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.787 -3.831 10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 60 167.116 -2.901 10.933 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.955 -5.599 12.296 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.684 -6.469 11.404 1.00 0.00 H new ATOM 0 HD13 ILE A 60 169.169 -4.834 10.894 1.00 0.00 H new ATOM 934 N GLY A 61 166.311 -4.567 15.195 1.00 0.00 N ATOM 935 CA GLY A 61 166.246 -5.289 16.454 1.00 0.00 C ATOM 936 C GLY A 61 167.430 -6.211 16.679 1.00 0.00 C ATOM 937 O GLY A 61 168.082 -6.150 17.721 1.00 0.00 O ATOM 0 H GLY A 61 167.045 -3.860 15.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 166.192 -4.572 17.273 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.327 -5.875 16.482 1.00 0.00 H new ATOM 941 N VAL A 62 167.699 -7.077 15.709 1.00 0.00 N ATOM 942 CA VAL A 62 168.804 -8.027 15.820 1.00 0.00 C ATOM 943 C VAL A 62 170.157 -7.344 15.669 1.00 0.00 C ATOM 944 O VAL A 62 170.281 -6.312 15.010 1.00 0.00 O ATOM 945 CB VAL A 62 168.707 -9.167 14.784 1.00 0.00 C ATOM 946 CG1 VAL A 62 167.922 -10.334 15.355 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.089 -8.681 13.480 1.00 0.00 C ATOM 0 H VAL A 62 167.170 -7.143 14.839 1.00 0.00 H new ATOM 0 HA VAL A 62 168.722 -8.452 16.820 1.00 0.00 H new ATOM 0 HB VAL A 62 169.718 -9.507 14.559 1.00 0.00 H new ATOM 0 HG11 VAL A 62 167.862 -11.130 14.613 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.423 -10.707 16.248 1.00 0.00 H new ATOM 0 HG13 VAL A 62 166.916 -10.004 15.615 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.035 -9.508 12.772 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.085 -8.302 13.672 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.704 -7.884 13.061 1.00 0.00 H new ATOM 957 N LEU A 63 171.168 -7.941 16.290 1.00 0.00 N ATOM 958 CA LEU A 63 172.525 -7.409 16.236 1.00 0.00 C ATOM 959 C LEU A 63 173.050 -7.414 14.804 1.00 0.00 C ATOM 960 O LEU A 63 172.583 -8.184 13.966 1.00 0.00 O ATOM 961 CB LEU A 63 173.452 -8.228 17.140 1.00 0.00 C ATOM 962 CG LEU A 63 173.883 -7.525 18.428 1.00 0.00 C ATOM 963 CD1 LEU A 63 174.117 -8.540 19.536 1.00 0.00 C ATOM 964 CD2 LEU A 63 175.136 -6.696 18.188 1.00 0.00 C ATOM 0 H LEU A 63 171.073 -8.796 16.838 1.00 0.00 H new ATOM 0 HA LEU A 63 172.503 -6.379 16.592 1.00 0.00 H new ATOM 0 HB2 LEU A 63 172.950 -9.159 17.402 1.00 0.00 H new ATOM 0 HB3 LEU A 63 174.344 -8.496 16.574 1.00 0.00 H new ATOM 0 HG LEU A 63 173.082 -6.855 18.740 1.00 0.00 H new ATOM 0 HD11 LEU A 63 174.423 -8.022 20.445 1.00 0.00 H new ATOM 0 HD12 LEU A 63 173.196 -9.091 19.725 1.00 0.00 H new ATOM 0 HD13 LEU A 63 174.900 -9.235 19.233 1.00 0.00 H new ATOM 0 HD21 LEU A 63 175.429 -6.203 19.115 1.00 0.00 H new ATOM 0 HD22 LEU A 63 175.944 -7.346 17.852 1.00 0.00 H new ATOM 0 HD23 LEU A 63 174.934 -5.944 17.425 1.00 0.00 H new ATOM 976 N ILE A 64 174.024 -6.550 14.531 1.00 0.00 N ATOM 977 CA ILE A 64 174.613 -6.456 13.200 1.00 0.00 C ATOM 978 C ILE A 64 176.070 -6.010 13.278 1.00 0.00 C ATOM 979 O ILE A 64 176.388 -5.004 13.913 1.00 0.00 O ATOM 980 CB ILE A 64 173.835 -5.466 12.303 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.363 -5.873 12.199 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.464 -5.392 10.919 1.00 0.00 C ATOM 983 CD1 ILE A 64 172.145 -7.178 11.463 1.00 0.00 C ATOM 0 H ILE A 64 174.422 -5.905 15.214 1.00 0.00 H new ATOM 0 HA ILE A 64 174.558 -7.452 12.760 1.00 0.00 H new ATOM 0 HB ILE A 64 173.887 -4.478 12.760 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.946 -5.958 13.203 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.811 -5.082 11.691 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.903 -4.690 10.301 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.496 -5.054 11.006 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.443 -6.379 10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 64 171.079 -7.403 11.428 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.531 -7.092 10.447 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.668 -7.981 11.983 1.00 0.00 H new ATOM 995 N ASP A 65 176.951 -6.760 12.624 1.00 0.00 N ATOM 996 CA ASP A 65 178.373 -6.436 12.616 1.00 0.00 C ATOM 997 C ASP A 65 178.642 -5.215 11.736 1.00 0.00 C ATOM 998 O ASP A 65 178.561 -5.299 10.511 1.00 0.00 O ATOM 999 CB ASP A 65 179.185 -7.630 12.111 1.00 0.00 C ATOM 1000 CG ASP A 65 179.644 -8.534 13.238 1.00 0.00 C ATOM 1001 OD1 ASP A 65 180.189 -8.013 14.233 1.00 0.00 O ATOM 1002 OD2 ASP A 65 179.458 -9.764 13.125 1.00 0.00 O ATOM 0 H ASP A 65 176.706 -7.596 12.093 1.00 0.00 H new ATOM 0 HA ASP A 65 178.677 -6.205 13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.581 -8.206 11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.054 -7.269 11.562 1.00 0.00 H new ATOM 1007 N PRO A 66 178.964 -4.057 12.341 1.00 0.00 N ATOM 1008 CA PRO A 66 179.235 -2.831 11.589 1.00 0.00 C ATOM 1009 C PRO A 66 180.291 -3.037 10.508 1.00 0.00 C ATOM 1010 O PRO A 66 181.091 -3.969 10.582 1.00 0.00 O ATOM 1011 CB PRO A 66 179.729 -1.837 12.650 1.00 0.00 C ATOM 1012 CG PRO A 66 179.989 -2.648 13.875 1.00 0.00 C ATOM 1013 CD PRO A 66 179.087 -3.845 13.790 1.00 0.00 C ATOM 0 HA PRO A 66 178.349 -2.483 11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.634 -1.328 12.318 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.982 -1.066 12.842 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.034 -2.952 13.925 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.782 -2.069 14.775 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.517 -4.712 14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.119 -3.656 14.255 1.00 0.00 H new ATOM 1021 N GLU A 67 180.280 -2.164 9.502 1.00 0.00 N ATOM 1022 CA GLU A 67 181.229 -2.242 8.392 1.00 0.00 C ATOM 1023 C GLU A 67 180.947 -3.455 7.507 1.00 0.00 C ATOM 1024 O GLU A 67 180.690 -3.316 6.311 1.00 0.00 O ATOM 1025 CB GLU A 67 182.670 -2.295 8.910 1.00 0.00 C ATOM 1026 CG GLU A 67 183.072 -1.072 9.718 1.00 0.00 C ATOM 1027 CD GLU A 67 184.226 -1.350 10.661 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.348 -1.596 10.170 1.00 0.00 O ATOM 1029 OE2 GLU A 67 184.007 -1.322 11.891 1.00 0.00 O ATOM 0 H GLU A 67 179.620 -1.390 9.433 1.00 0.00 H new ATOM 0 HA GLU A 67 181.105 -1.342 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.793 -3.185 9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.348 -2.399 8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.349 -0.267 9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 67 182.214 -0.723 10.293 1.00 0.00 H new ATOM 1036 N GLU A 68 181.000 -4.644 8.102 1.00 0.00 N ATOM 1037 CA GLU A 68 180.756 -5.886 7.374 1.00 0.00 C ATOM 1038 C GLU A 68 179.515 -5.790 6.487 1.00 0.00 C ATOM 1039 O GLU A 68 179.428 -6.457 5.456 1.00 0.00 O ATOM 1040 CB GLU A 68 180.600 -7.047 8.359 1.00 0.00 C ATOM 1041 CG GLU A 68 181.907 -7.758 8.668 1.00 0.00 C ATOM 1042 CD GLU A 68 182.124 -7.959 10.155 1.00 0.00 C ATOM 1043 OE1 GLU A 68 182.353 -6.956 10.863 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.064 -9.120 10.612 1.00 0.00 O ATOM 0 H GLU A 68 181.211 -4.773 9.092 1.00 0.00 H new ATOM 0 HA GLU A 68 181.615 -6.064 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 68 180.172 -6.670 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.891 -7.767 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 68 181.916 -8.727 8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.736 -7.181 8.258 1.00 0.00 H new ATOM 1051 N TYR A 69 178.554 -4.965 6.894 1.00 0.00 N ATOM 1052 CA TYR A 69 177.320 -4.799 6.130 1.00 0.00 C ATOM 1053 C TYR A 69 177.174 -3.371 5.614 1.00 0.00 C ATOM 1054 O TYR A 69 177.680 -2.424 6.217 1.00 0.00 O ATOM 1055 CB TYR A 69 176.111 -5.162 6.993 1.00 0.00 C ATOM 1056 CG TYR A 69 176.082 -6.615 7.413 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.537 -7.587 6.584 1.00 0.00 C ATOM 1058 CD2 TYR A 69 176.600 -7.013 8.638 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.510 -8.914 6.965 1.00 0.00 C ATOM 1060 CE2 TYR A 69 176.576 -8.339 9.026 1.00 0.00 C ATOM 1061 CZ TYR A 69 176.030 -9.285 8.186 1.00 0.00 C ATOM 1062 OH TYR A 69 176.004 -10.607 8.568 1.00 0.00 O ATOM 0 H TYR A 69 178.605 -4.403 7.744 1.00 0.00 H new ATOM 0 HA TYR A 69 177.368 -5.469 5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.110 -4.535 7.884 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.199 -4.934 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.128 -7.300 5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 69 177.029 -6.274 9.299 1.00 0.00 H new ATOM 0 HE1 TYR A 69 175.083 -9.658 6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 69 176.983 -8.632 9.982 1.00 0.00 H new ATOM 0 HH TYR A 69 176.411 -10.699 9.455 1.00 0.00 H new ATOM 1072 N ALA A 70 176.469 -3.225 4.495 1.00 0.00 N ATOM 1073 CA ALA A 70 176.243 -1.917 3.894 1.00 0.00 C ATOM 1074 C ALA A 70 174.771 -1.526 3.984 1.00 0.00 C ATOM 1075 O ALA A 70 173.887 -2.327 3.679 1.00 0.00 O ATOM 1076 CB ALA A 70 176.706 -1.912 2.445 1.00 0.00 C ATOM 0 H ALA A 70 176.044 -4.000 3.986 1.00 0.00 H new ATOM 0 HA ALA A 70 176.826 -1.181 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.530 -0.928 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.770 -2.143 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 70 176.149 -2.662 1.883 1.00 0.00 H new ATOM 1082 N GLU A 71 174.515 -0.294 4.410 1.00 0.00 N ATOM 1083 CA GLU A 71 173.146 0.191 4.544 1.00 0.00 C ATOM 1084 C GLU A 71 172.837 1.293 3.533 1.00 0.00 C ATOM 1085 O GLU A 71 173.614 2.230 3.357 1.00 0.00 O ATOM 1086 CB GLU A 71 172.889 0.690 5.971 1.00 0.00 C ATOM 1087 CG GLU A 71 173.644 1.957 6.330 1.00 0.00 C ATOM 1088 CD GLU A 71 173.125 2.604 7.599 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.581 2.213 8.694 1.00 0.00 O ATOM 1090 OE2 GLU A 71 172.263 3.502 7.498 1.00 0.00 O ATOM 0 H GLU A 71 175.233 0.384 4.667 1.00 0.00 H new ATOM 0 HA GLU A 71 172.480 -0.646 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 71 171.821 0.869 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 71 173.164 -0.096 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 71 174.702 1.723 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 71 173.567 2.667 5.507 1.00 0.00 H new ATOM 1097 N VAL A 72 171.688 1.172 2.878 1.00 0.00 N ATOM 1098 CA VAL A 72 171.256 2.156 1.892 1.00 0.00 C ATOM 1099 C VAL A 72 169.913 2.747 2.305 1.00 0.00 C ATOM 1100 O VAL A 72 169.091 2.064 2.916 1.00 0.00 O ATOM 1101 CB VAL A 72 171.155 1.534 0.478 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.093 2.227 -0.367 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.506 1.596 -0.216 1.00 0.00 C ATOM 0 H VAL A 72 171.036 0.399 3.013 1.00 0.00 H new ATOM 0 HA VAL A 72 172.004 2.948 1.853 1.00 0.00 H new ATOM 0 HB VAL A 72 170.856 0.492 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.052 1.763 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.122 2.133 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.344 3.282 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.425 1.156 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.823 2.635 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.241 1.041 0.368 1.00 0.00 H new ATOM 1113 N TRP A 73 169.693 4.015 1.975 1.00 0.00 N ATOM 1114 CA TRP A 73 168.447 4.686 2.327 1.00 0.00 C ATOM 1115 C TRP A 73 167.717 5.182 1.084 1.00 0.00 C ATOM 1116 O TRP A 73 168.319 5.797 0.202 1.00 0.00 O ATOM 1117 CB TRP A 73 168.729 5.865 3.261 1.00 0.00 C ATOM 1118 CG TRP A 73 168.803 5.478 4.705 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.084 4.241 5.208 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.592 6.332 5.835 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.057 4.271 6.580 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.758 5.543 6.988 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.278 7.686 5.985 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.621 6.061 8.270 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.143 8.200 7.261 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.314 7.389 8.390 1.00 0.00 C ATOM 0 H TRP A 73 170.358 4.597 1.466 1.00 0.00 H new ATOM 0 HA TRP A 73 167.810 3.962 2.835 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.670 6.332 2.970 1.00 0.00 H new ATOM 0 HB3 TRP A 73 167.948 6.614 3.133 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.297 3.365 4.613 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.231 3.476 7.195 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.143 8.319 5.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.752 5.437 9.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 167.902 9.245 7.390 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.201 7.820 9.374 1.00 0.00 H new ATOM 1137 N VAL A 74 166.415 4.920 1.029 1.00 0.00 N ATOM 1138 CA VAL A 74 165.597 5.347 -0.098 1.00 0.00 C ATOM 1139 C VAL A 74 164.383 6.136 0.379 1.00 0.00 C ATOM 1140 O VAL A 74 163.475 5.588 1.002 1.00 0.00 O ATOM 1141 CB VAL A 74 165.124 4.152 -0.944 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.351 4.640 -2.161 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.308 3.291 -1.358 1.00 0.00 C ATOM 0 H VAL A 74 165.905 4.414 1.753 1.00 0.00 H new ATOM 0 HA VAL A 74 166.224 5.986 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 74 164.456 3.538 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.022 3.784 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.482 5.211 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 74 164.994 5.275 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.955 2.450 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.004 3.888 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.814 2.916 -0.468 1.00 0.00 H new ATOM 1153 N GLY A 75 164.390 7.430 0.092 1.00 0.00 N ATOM 1154 CA GLY A 75 163.297 8.290 0.509 1.00 0.00 C ATOM 1155 C GLY A 75 162.675 9.063 -0.634 1.00 0.00 C ATOM 1156 O GLY A 75 162.369 8.499 -1.684 1.00 0.00 O ATOM 0 H GLY A 75 165.133 7.902 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.529 7.683 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.662 8.993 1.258 1.00 0.00 H new ATOM 1160 N LEU A 76 162.492 10.361 -0.424 1.00 0.00 N ATOM 1161 CA LEU A 76 161.904 11.228 -1.443 1.00 0.00 C ATOM 1162 C LEU A 76 162.592 12.590 -1.433 1.00 0.00 C ATOM 1163 O LEU A 76 161.980 13.612 -1.119 1.00 0.00 O ATOM 1164 CB LEU A 76 160.386 11.382 -1.226 1.00 0.00 C ATOM 1165 CG LEU A 76 159.514 11.143 -2.465 1.00 0.00 C ATOM 1166 CD1 LEU A 76 159.960 9.894 -3.213 1.00 0.00 C ATOM 1167 CD2 LEU A 76 158.050 11.029 -2.065 1.00 0.00 C ATOM 0 H LEU A 76 162.742 10.838 0.442 1.00 0.00 H new ATOM 0 HA LEU A 76 162.056 10.767 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.076 10.687 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.190 12.388 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 76 159.630 11.996 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.325 9.747 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 76 160.996 10.011 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 76 159.879 9.028 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 76 157.442 10.860 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 76 157.925 10.194 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 76 157.733 11.952 -1.579 1.00 0.00 H new ATOM 1179 N VAL A 77 163.878 12.586 -1.773 1.00 0.00 N ATOM 1180 CA VAL A 77 164.681 13.804 -1.804 1.00 0.00 C ATOM 1181 C VAL A 77 163.988 14.921 -2.579 1.00 0.00 C ATOM 1182 O VAL A 77 163.100 14.670 -3.393 1.00 0.00 O ATOM 1183 CB VAL A 77 166.062 13.536 -2.437 1.00 0.00 C ATOM 1184 CG1 VAL A 77 166.963 14.752 -2.305 1.00 0.00 C ATOM 1185 CG2 VAL A 77 166.710 12.315 -1.802 1.00 0.00 C ATOM 0 H VAL A 77 164.390 11.743 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 77 164.807 14.123 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 77 165.918 13.337 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 77 167.931 14.539 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 77 166.504 15.601 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.101 14.990 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 77 167.683 12.140 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.837 12.485 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.074 11.443 -1.957 1.00 0.00 H new ATOM 1195 N ASN A 78 164.408 16.155 -2.318 1.00 0.00 N ATOM 1196 CA ASN A 78 163.838 17.317 -2.987 1.00 0.00 C ATOM 1197 C ASN A 78 164.603 17.626 -4.274 1.00 0.00 C ATOM 1198 O ASN A 78 165.304 16.766 -4.808 1.00 0.00 O ATOM 1199 CB ASN A 78 163.861 18.529 -2.051 1.00 0.00 C ATOM 1200 CG ASN A 78 163.353 18.195 -0.661 1.00 0.00 C ATOM 1201 OD1 ASN A 78 162.200 17.800 -0.488 1.00 0.00 O ATOM 1202 ND2 ASN A 78 164.213 18.353 0.338 1.00 0.00 N ATOM 0 H ASN A 78 165.143 16.375 -1.646 1.00 0.00 H new ATOM 0 HA ASN A 78 162.804 17.093 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 78 164.879 18.911 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 78 163.250 19.325 -2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 78 163.927 18.144 1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 78 165.159 18.683 0.149 1.00 0.00 H new ATOM 1209 N GLU A 79 164.459 18.850 -4.773 1.00 0.00 N ATOM 1210 CA GLU A 79 165.132 19.259 -6.001 1.00 0.00 C ATOM 1211 C GLU A 79 166.640 19.413 -5.799 1.00 0.00 C ATOM 1212 O GLU A 79 167.383 19.584 -6.766 1.00 0.00 O ATOM 1213 CB GLU A 79 164.541 20.574 -6.513 1.00 0.00 C ATOM 1214 CG GLU A 79 164.719 21.736 -5.550 1.00 0.00 C ATOM 1215 CD GLU A 79 163.609 22.763 -5.666 1.00 0.00 C ATOM 1216 OE1 GLU A 79 162.426 22.368 -5.603 1.00 0.00 O ATOM 1217 OE2 GLU A 79 163.923 23.962 -5.820 1.00 0.00 O ATOM 0 H GLU A 79 163.883 19.575 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 79 164.972 18.473 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 79 165.008 20.827 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 79 163.478 20.434 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 79 164.752 21.356 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 79 165.677 22.219 -5.742 1.00 0.00 H new ATOM 1224 N GLN A 80 167.092 19.360 -4.548 1.00 0.00 N ATOM 1225 CA GLN A 80 168.508 19.501 -4.250 1.00 0.00 C ATOM 1226 C GLN A 80 169.202 18.139 -4.209 1.00 0.00 C ATOM 1227 O GLN A 80 169.735 17.678 -5.219 1.00 0.00 O ATOM 1228 CB GLN A 80 168.702 20.256 -2.928 1.00 0.00 C ATOM 1229 CG GLN A 80 167.595 20.029 -1.905 1.00 0.00 C ATOM 1230 CD GLN A 80 167.969 20.522 -0.520 1.00 0.00 C ATOM 1231 OE1 GLN A 80 167.229 21.285 0.100 1.00 0.00 O ATOM 1232 NE2 GLN A 80 169.122 20.086 -0.026 1.00 0.00 N ATOM 0 H GLN A 80 166.498 19.221 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 80 168.969 20.081 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 80 169.653 19.956 -2.489 1.00 0.00 H new ATOM 0 HB3 GLN A 80 168.771 21.323 -3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 80 166.690 20.539 -2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 80 167.362 18.965 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 80 169.705 19.454 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 80 169.424 20.383 0.902 1.00 0.00 H new ATOM 1241 N ASP A 81 169.199 17.498 -3.044 1.00 0.00 N ATOM 1242 CA ASP A 81 169.836 16.193 -2.890 1.00 0.00 C ATOM 1243 C ASP A 81 169.713 15.682 -1.456 1.00 0.00 C ATOM 1244 O ASP A 81 169.541 14.484 -1.227 1.00 0.00 O ATOM 1245 CB ASP A 81 171.312 16.271 -3.286 1.00 0.00 C ATOM 1246 CG ASP A 81 172.028 17.429 -2.619 1.00 0.00 C ATOM 1247 OD1 ASP A 81 172.253 17.361 -1.392 1.00 0.00 O ATOM 1248 OD2 ASP A 81 172.365 18.404 -3.323 1.00 0.00 O ATOM 0 H ASP A 81 168.764 17.859 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 81 169.322 15.493 -3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 81 171.807 15.338 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 81 171.390 16.374 -4.368 1.00 0.00 H new ATOM 1253 N GLU A 82 169.802 16.593 -0.493 1.00 0.00 N ATOM 1254 CA GLU A 82 169.699 16.225 0.915 1.00 0.00 C ATOM 1255 C GLU A 82 168.377 15.515 1.192 1.00 0.00 C ATOM 1256 O GLU A 82 167.311 16.001 0.814 1.00 0.00 O ATOM 1257 CB GLU A 82 169.819 17.467 1.800 1.00 0.00 C ATOM 1258 CG GLU A 82 171.194 18.113 1.758 1.00 0.00 C ATOM 1259 CD GLU A 82 171.356 19.209 2.792 1.00 0.00 C ATOM 1260 OE1 GLU A 82 170.719 20.272 2.635 1.00 0.00 O ATOM 1261 OE2 GLU A 82 172.118 19.005 3.760 1.00 0.00 O ATOM 0 H GLU A 82 169.945 17.589 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 82 170.516 15.543 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 82 169.073 18.198 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 82 169.586 17.193 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 82 171.955 17.350 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 82 171.366 18.528 0.765 1.00 0.00 H new ATOM 1268 N MET A 83 168.452 14.362 1.849 1.00 0.00 N ATOM 1269 CA MET A 83 167.259 13.589 2.169 1.00 0.00 C ATOM 1270 C MET A 83 166.940 13.666 3.658 1.00 0.00 C ATOM 1271 O MET A 83 167.765 13.311 4.500 1.00 0.00 O ATOM 1272 CB MET A 83 167.446 12.128 1.753 1.00 0.00 C ATOM 1273 CG MET A 83 166.244 11.247 2.058 1.00 0.00 C ATOM 1274 SD MET A 83 166.677 9.501 2.181 1.00 0.00 S ATOM 1275 CE MET A 83 167.507 9.247 0.615 1.00 0.00 C ATOM 0 H MET A 83 169.325 13.944 2.169 1.00 0.00 H new ATOM 0 HA MET A 83 166.423 14.016 1.615 1.00 0.00 H new ATOM 0 HB2 MET A 83 167.653 12.088 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 83 168.321 11.723 2.262 1.00 0.00 H new ATOM 0 HG2 MET A 83 165.789 11.571 2.994 1.00 0.00 H new ATOM 0 HG3 MET A 83 165.495 11.378 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.725 8.187 0.486 1.00 0.00 H new ATOM 0 HE2 MET A 83 166.864 9.586 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 83 168.438 9.813 0.601 1.00 0.00 H new ATOM 1285 N ASP A 84 165.735 14.127 3.974 1.00 0.00 N ATOM 1286 CA ASP A 84 165.299 14.248 5.361 1.00 0.00 C ATOM 1287 C ASP A 84 164.139 13.298 5.660 1.00 0.00 C ATOM 1288 O ASP A 84 163.671 13.216 6.795 1.00 0.00 O ATOM 1289 CB ASP A 84 164.883 15.689 5.663 1.00 0.00 C ATOM 1290 CG ASP A 84 163.815 16.193 4.712 1.00 0.00 C ATOM 1291 OD1 ASP A 84 164.172 16.642 3.603 1.00 0.00 O ATOM 1292 OD2 ASP A 84 162.622 16.138 5.078 1.00 0.00 O ATOM 0 H ASP A 84 165.041 14.424 3.287 1.00 0.00 H new ATOM 0 HA ASP A 84 166.138 13.976 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 84 164.513 15.751 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.757 16.337 5.600 1.00 0.00 H new ATOM 1297 N ASP A 85 163.676 12.583 4.636 1.00 0.00 N ATOM 1298 CA ASP A 85 162.573 11.645 4.792 1.00 0.00 C ATOM 1299 C ASP A 85 162.855 10.353 4.035 1.00 0.00 C ATOM 1300 O ASP A 85 162.823 10.322 2.803 1.00 0.00 O ATOM 1301 CB ASP A 85 161.269 12.270 4.294 1.00 0.00 C ATOM 1302 CG ASP A 85 160.704 13.282 5.271 1.00 0.00 C ATOM 1303 OD1 ASP A 85 160.804 13.047 6.493 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.161 14.310 4.813 1.00 0.00 O ATOM 0 H ASP A 85 164.051 12.638 3.689 1.00 0.00 H new ATOM 0 HA ASP A 85 162.471 11.411 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 85 161.445 12.755 3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 85 160.534 11.483 4.124 1.00 0.00 H new ATOM 1309 N VAL A 86 163.132 9.291 4.781 1.00 0.00 N ATOM 1310 CA VAL A 86 163.422 7.990 4.187 1.00 0.00 C ATOM 1311 C VAL A 86 162.177 7.107 4.178 1.00 0.00 C ATOM 1312 O VAL A 86 161.422 7.065 5.150 1.00 0.00 O ATOM 1313 CB VAL A 86 164.578 7.262 4.930 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.588 7.620 6.408 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.493 5.751 4.743 1.00 0.00 C ATOM 0 H VAL A 86 163.162 9.304 5.800 1.00 0.00 H new ATOM 0 HA VAL A 86 163.739 8.171 3.160 1.00 0.00 H new ATOM 0 HB VAL A 86 165.516 7.602 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.406 7.097 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.723 8.696 6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.642 7.324 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.315 5.272 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.544 5.388 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 86 164.559 5.511 3.682 1.00 0.00 H new ATOM 1325 N PHE A 87 161.981 6.394 3.075 1.00 0.00 N ATOM 1326 CA PHE A 87 160.842 5.497 2.929 1.00 0.00 C ATOM 1327 C PHE A 87 161.214 4.110 3.433 1.00 0.00 C ATOM 1328 O PHE A 87 160.468 3.481 4.183 1.00 0.00 O ATOM 1329 CB PHE A 87 160.416 5.418 1.461 1.00 0.00 C ATOM 1330 CG PHE A 87 159.318 6.374 1.093 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.150 6.424 1.833 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.454 7.218 0.002 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.136 7.298 1.494 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.444 8.096 -0.342 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.283 8.136 0.405 1.00 0.00 C ATOM 0 H PHE A 87 162.600 6.421 2.265 1.00 0.00 H new ATOM 0 HA PHE A 87 160.009 5.884 3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.283 5.616 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.088 4.402 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.030 5.772 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 87 160.360 7.189 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.229 7.327 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 87 158.562 8.750 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 87 156.492 8.821 0.139 1.00 0.00 H new ATOM 1345 N ALA A 88 162.385 3.651 3.010 1.00 0.00 N ATOM 1346 CA ALA A 88 162.891 2.346 3.404 1.00 0.00 C ATOM 1347 C ALA A 88 164.401 2.388 3.584 1.00 0.00 C ATOM 1348 O ALA A 88 165.046 3.388 3.267 1.00 0.00 O ATOM 1349 CB ALA A 88 162.512 1.300 2.368 1.00 0.00 C ATOM 0 H ALA A 88 163.006 4.170 2.389 1.00 0.00 H new ATOM 0 HA ALA A 88 162.439 2.075 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.897 0.328 2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.427 1.250 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.940 1.572 1.403 1.00 0.00 H new ATOM 1355 N LYS A 89 164.964 1.295 4.078 1.00 0.00 N ATOM 1356 CA LYS A 89 166.401 1.188 4.286 1.00 0.00 C ATOM 1357 C LYS A 89 166.803 -0.273 4.135 1.00 0.00 C ATOM 1358 O LYS A 89 166.108 -1.158 4.631 1.00 0.00 O ATOM 1359 CB LYS A 89 166.791 1.708 5.674 1.00 0.00 C ATOM 1360 CG LYS A 89 165.820 2.731 6.248 1.00 0.00 C ATOM 1361 CD LYS A 89 166.405 3.437 7.462 1.00 0.00 C ATOM 1362 CE LYS A 89 165.507 3.291 8.681 1.00 0.00 C ATOM 1363 NZ LYS A 89 166.007 4.084 9.838 1.00 0.00 N ATOM 0 H LYS A 89 164.441 0.461 4.345 1.00 0.00 H new ATOM 0 HA LYS A 89 166.923 1.797 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.861 0.864 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.783 2.156 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.571 3.467 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 89 164.891 2.235 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.390 3.026 7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.545 4.494 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.497 3.614 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.444 2.240 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 165.228 4.254 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 166.765 3.558 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 166.378 4.995 9.500 1.00 0.00 H new ATOM 1377 N PHE A 90 167.896 -0.538 3.430 1.00 0.00 N ATOM 1378 CA PHE A 90 168.327 -1.915 3.211 1.00 0.00 C ATOM 1379 C PHE A 90 169.730 -2.174 3.746 1.00 0.00 C ATOM 1380 O PHE A 90 170.621 -1.338 3.617 1.00 0.00 O ATOM 1381 CB PHE A 90 168.294 -2.247 1.715 1.00 0.00 C ATOM 1382 CG PHE A 90 167.010 -1.868 1.028 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.620 -0.541 0.934 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.196 -2.843 0.473 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.443 -0.194 0.300 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.017 -2.502 -0.163 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.640 -1.175 -0.250 1.00 0.00 C ATOM 0 H PHE A 90 168.494 0.171 3.005 1.00 0.00 H new ATOM 0 HA PHE A 90 167.633 -2.555 3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.121 -1.736 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.459 -3.317 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.244 0.230 1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.486 -3.881 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.150 0.844 0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.391 -3.271 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.720 -0.905 -0.747 1.00 0.00 H new ATOM 1397 N LEU A 91 169.921 -3.366 4.309 1.00 0.00 N ATOM 1398 CA LEU A 91 171.220 -3.782 4.825 1.00 0.00 C ATOM 1399 C LEU A 91 171.664 -5.034 4.082 1.00 0.00 C ATOM 1400 O LEU A 91 170.870 -5.952 3.884 1.00 0.00 O ATOM 1401 CB LEU A 91 171.159 -4.069 6.328 1.00 0.00 C ATOM 1402 CG LEU A 91 170.566 -2.953 7.192 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.103 -3.509 8.529 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.584 -1.845 7.407 1.00 0.00 C ATOM 0 H LEU A 91 169.185 -4.064 4.419 1.00 0.00 H new ATOM 0 HA LEU A 91 171.933 -2.973 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.572 -4.974 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.169 -4.279 6.681 1.00 0.00 H new ATOM 0 HG LEU A 91 169.705 -2.535 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.684 -2.704 9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.342 -4.271 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.951 -3.951 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.144 -1.061 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.463 -2.251 7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.877 -1.428 6.443 1.00 0.00 H new ATOM 1416 N ILE A 92 172.912 -5.062 3.637 1.00 0.00 N ATOM 1417 CA ILE A 92 173.402 -6.212 2.881 1.00 0.00 C ATOM 1418 C ILE A 92 174.846 -6.569 3.216 1.00 0.00 C ATOM 1419 O ILE A 92 175.682 -5.697 3.454 1.00 0.00 O ATOM 1420 CB ILE A 92 173.284 -5.973 1.358 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.315 -4.819 1.072 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.827 -7.245 0.655 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.068 -4.577 -0.400 1.00 0.00 C ATOM 0 H ILE A 92 173.595 -4.318 3.781 1.00 0.00 H new ATOM 0 HA ILE A 92 172.769 -7.049 3.174 1.00 0.00 H new ATOM 0 HB ILE A 92 174.266 -5.701 0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 92 171.363 -5.027 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 92 172.710 -3.907 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.749 -7.061 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 92 173.551 -8.040 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.854 -7.546 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 92 171.373 -3.746 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 92 173.010 -4.336 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.643 -5.474 -0.850 1.00 0.00 H new ATOM 1435 N SER A 93 175.122 -7.870 3.218 1.00 0.00 N ATOM 1436 CA SER A 93 176.458 -8.379 3.506 1.00 0.00 C ATOM 1437 C SER A 93 177.423 -8.024 2.380 1.00 0.00 C ATOM 1438 O SER A 93 177.116 -8.216 1.203 1.00 0.00 O ATOM 1439 CB SER A 93 176.417 -9.898 3.698 1.00 0.00 C ATOM 1440 OG SER A 93 176.839 -10.259 5.002 1.00 0.00 O ATOM 0 H SER A 93 174.432 -8.595 3.022 1.00 0.00 H new ATOM 0 HA SER A 93 176.810 -7.913 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 93 175.404 -10.262 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 93 177.058 -10.379 2.959 1.00 0.00 H new ATOM 0 HG SER A 93 176.659 -9.520 5.620 1.00 0.00 H new ATOM 1446 N HIS A 94 178.589 -7.502 2.746 1.00 0.00 N ATOM 1447 CA HIS A 94 179.595 -7.118 1.761 1.00 0.00 C ATOM 1448 C HIS A 94 180.100 -8.335 0.992 1.00 0.00 C ATOM 1449 O HIS A 94 180.442 -8.239 -0.186 1.00 0.00 O ATOM 1450 CB HIS A 94 180.768 -6.409 2.442 1.00 0.00 C ATOM 1451 CG HIS A 94 180.562 -4.935 2.608 1.00 0.00 C ATOM 1452 ND1 HIS A 94 181.224 -3.995 1.847 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.765 -4.237 3.453 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.845 -2.785 2.217 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.960 -2.904 3.189 1.00 0.00 N ATOM 0 H HIS A 94 178.861 -7.335 3.715 1.00 0.00 H new ATOM 0 HA HIS A 94 179.127 -6.433 1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.933 -6.857 3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.673 -6.578 1.858 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.100 -4.652 4.196 1.00 0.00 H new ATOM 0 HE1 HIS A 94 181.199 -1.856 1.796 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.496 -2.131 3.666 1.00 0.00 H new ATOM 1464 N ARG A 95 180.149 -9.478 1.668 1.00 0.00 N ATOM 1465 CA ARG A 95 180.617 -10.714 1.052 1.00 0.00 C ATOM 1466 C ARG A 95 179.568 -11.295 0.112 1.00 0.00 C ATOM 1467 O ARG A 95 178.475 -10.748 -0.035 1.00 0.00 O ATOM 1468 CB ARG A 95 180.976 -11.737 2.130 1.00 0.00 C ATOM 1469 CG ARG A 95 179.880 -11.941 3.165 1.00 0.00 C ATOM 1470 CD ARG A 95 180.319 -11.478 4.546 1.00 0.00 C ATOM 1471 NE ARG A 95 179.899 -12.406 5.594 1.00 0.00 N ATOM 1472 CZ ARG A 95 179.841 -12.088 6.886 1.00 0.00 C ATOM 1473 NH1 ARG A 95 180.171 -10.868 7.292 1.00 0.00 N ATOM 1474 NH2 ARG A 95 179.450 -12.992 7.774 1.00 0.00 N ATOM 0 H ARG A 95 179.870 -9.574 2.644 1.00 0.00 H new ATOM 0 HA ARG A 95 181.506 -10.481 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 95 181.197 -12.692 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 95 181.886 -11.415 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 95 178.988 -11.392 2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 95 179.608 -12.996 3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 95 181.404 -11.376 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 95 179.902 -10.491 4.747 1.00 0.00 H new ATOM 0 HE ARG A 95 179.635 -13.352 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 95 180.471 -10.168 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 95 180.125 -10.630 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 95 179.194 -13.931 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 95 179.405 -12.749 8.764 1.00 0.00 H new ATOM 1488 N GLU A 96 179.917 -12.406 -0.527 1.00 0.00 N ATOM 1489 CA GLU A 96 179.020 -13.069 -1.463 1.00 0.00 C ATOM 1490 C GLU A 96 178.563 -14.429 -0.929 1.00 0.00 C ATOM 1491 O GLU A 96 177.629 -15.030 -1.459 1.00 0.00 O ATOM 1492 CB GLU A 96 179.716 -13.232 -2.816 1.00 0.00 C ATOM 1493 CG GLU A 96 180.795 -14.307 -2.829 1.00 0.00 C ATOM 1494 CD GLU A 96 182.171 -13.750 -3.140 1.00 0.00 C ATOM 1495 OE1 GLU A 96 182.684 -12.950 -2.330 1.00 0.00 O ATOM 1496 OE2 GLU A 96 182.735 -14.115 -4.193 1.00 0.00 O ATOM 0 H GLU A 96 180.819 -12.867 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 96 178.132 -12.449 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 96 178.968 -13.472 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 96 180.162 -12.279 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 96 180.819 -14.804 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.538 -15.065 -3.569 1.00 0.00 H new ATOM 1503 N GLU A 97 179.230 -14.903 0.122 1.00 0.00 N ATOM 1504 CA GLU A 97 178.900 -16.185 0.737 1.00 0.00 C ATOM 1505 C GLU A 97 177.459 -16.190 1.255 1.00 0.00 C ATOM 1506 O GLU A 97 176.541 -15.755 0.561 1.00 0.00 O ATOM 1507 CB GLU A 97 179.904 -16.483 1.859 1.00 0.00 C ATOM 1508 CG GLU A 97 179.898 -15.448 2.973 1.00 0.00 C ATOM 1509 CD GLU A 97 179.948 -16.077 4.352 1.00 0.00 C ATOM 1510 OE1 GLU A 97 180.669 -17.083 4.520 1.00 0.00 O ATOM 1511 OE2 GLU A 97 179.266 -15.563 5.264 1.00 0.00 O ATOM 0 H GLU A 97 180.007 -14.414 0.567 1.00 0.00 H new ATOM 0 HA GLU A 97 178.970 -16.973 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 97 179.682 -17.462 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.906 -16.540 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 97 180.752 -14.782 2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 97 179.001 -14.835 2.890 1.00 0.00 H new ATOM 1518 N ASP A 98 177.264 -16.671 2.474 1.00 0.00 N ATOM 1519 CA ASP A 98 175.931 -16.715 3.079 1.00 0.00 C ATOM 1520 C ASP A 98 175.481 -15.314 3.496 1.00 0.00 C ATOM 1521 O ASP A 98 175.085 -15.092 4.641 1.00 0.00 O ATOM 1522 CB ASP A 98 175.914 -17.653 4.292 1.00 0.00 C ATOM 1523 CG ASP A 98 176.835 -18.847 4.124 1.00 0.00 C ATOM 1524 OD1 ASP A 98 178.064 -18.642 4.043 1.00 0.00 O ATOM 1525 OD2 ASP A 98 176.327 -19.987 4.074 1.00 0.00 O ATOM 0 H ASP A 98 178.008 -17.037 3.067 1.00 0.00 H new ATOM 0 HA ASP A 98 175.236 -17.099 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.208 -17.095 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 98 174.896 -18.005 4.459 1.00 0.00 H new ATOM 1530 N ARG A 99 175.562 -14.368 2.563 1.00 0.00 N ATOM 1531 CA ARG A 99 175.182 -12.986 2.828 1.00 0.00 C ATOM 1532 C ARG A 99 173.707 -12.862 3.196 1.00 0.00 C ATOM 1533 O ARG A 99 172.851 -13.544 2.632 1.00 0.00 O ATOM 1534 CB ARG A 99 175.487 -12.113 1.610 1.00 0.00 C ATOM 1535 CG ARG A 99 174.886 -12.642 0.317 1.00 0.00 C ATOM 1536 CD ARG A 99 173.637 -11.869 -0.075 1.00 0.00 C ATOM 1537 NE ARG A 99 172.786 -12.630 -0.987 1.00 0.00 N ATOM 1538 CZ ARG A 99 171.675 -12.149 -1.539 1.00 0.00 C ATOM 1539 NH1 ARG A 99 171.276 -10.911 -1.276 1.00 0.00 N ATOM 1540 NH2 ARG A 99 170.959 -12.909 -2.358 1.00 0.00 N ATOM 0 H ARG A 99 175.890 -14.537 1.612 1.00 0.00 H new ATOM 0 HA ARG A 99 175.768 -12.644 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 99 175.110 -11.106 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 99 176.568 -12.032 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 99 175.623 -12.573 -0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 99 174.640 -13.697 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.072 -11.615 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 99 173.925 -10.930 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 99 173.060 -13.586 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 99 171.822 -10.322 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 99 170.423 -10.549 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 99 171.260 -13.861 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 99 170.107 -12.541 -2.781 1.00 0.00 H new ATOM 1554 N GLU A 100 173.427 -11.976 4.145 1.00 0.00 N ATOM 1555 CA GLU A 100 172.063 -11.737 4.600 1.00 0.00 C ATOM 1556 C GLU A 100 171.646 -10.298 4.313 1.00 0.00 C ATOM 1557 O GLU A 100 172.480 -9.391 4.306 1.00 0.00 O ATOM 1558 CB GLU A 100 171.943 -12.025 6.098 1.00 0.00 C ATOM 1559 CG GLU A 100 172.113 -13.494 6.451 1.00 0.00 C ATOM 1560 CD GLU A 100 170.932 -14.340 6.016 1.00 0.00 C ATOM 1561 OE1 GLU A 100 170.128 -13.858 5.190 1.00 0.00 O ATOM 1562 OE2 GLU A 100 170.812 -15.485 6.501 1.00 0.00 O ATOM 0 H GLU A 100 174.131 -11.408 4.616 1.00 0.00 H new ATOM 0 HA GLU A 100 171.399 -12.409 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.693 -11.442 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.968 -11.686 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 100 173.020 -13.874 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 100 172.248 -13.592 7.528 1.00 0.00 H new ATOM 1569 N PHE A 101 170.354 -10.092 4.078 1.00 0.00 N ATOM 1570 CA PHE A 101 169.834 -8.760 3.795 1.00 0.00 C ATOM 1571 C PHE A 101 168.502 -8.538 4.507 1.00 0.00 C ATOM 1572 O PHE A 101 167.693 -9.458 4.629 1.00 0.00 O ATOM 1573 CB PHE A 101 169.672 -8.557 2.285 1.00 0.00 C ATOM 1574 CG PHE A 101 168.518 -9.314 1.688 1.00 0.00 C ATOM 1575 CD1 PHE A 101 168.681 -10.616 1.243 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.271 -8.721 1.573 1.00 0.00 C ATOM 1577 CE1 PHE A 101 167.621 -11.312 0.694 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.207 -9.412 1.025 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.382 -10.710 0.585 1.00 0.00 C ATOM 0 H PHE A 101 169.649 -10.829 4.078 1.00 0.00 H new ATOM 0 HA PHE A 101 170.550 -8.028 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.539 -7.494 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.592 -8.864 1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 101 169.647 -11.092 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 101 167.129 -7.707 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 101 167.761 -12.326 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 101 165.240 -8.938 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 101 165.552 -11.253 0.157 1.00 0.00 H new ATOM 1589 N HIS A 102 168.283 -7.316 4.982 1.00 0.00 N ATOM 1590 CA HIS A 102 167.049 -6.986 5.689 1.00 0.00 C ATOM 1591 C HIS A 102 166.669 -5.520 5.498 1.00 0.00 C ATOM 1592 O HIS A 102 167.414 -4.615 5.874 1.00 0.00 O ATOM 1593 CB HIS A 102 167.176 -7.308 7.183 1.00 0.00 C ATOM 1594 CG HIS A 102 168.561 -7.149 7.735 1.00 0.00 C ATOM 1595 ND1 HIS A 102 168.844 -6.374 8.840 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.744 -7.680 7.341 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.138 -6.436 9.100 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.706 -7.222 8.206 1.00 0.00 N ATOM 0 H HIS A 102 168.940 -6.541 4.891 1.00 0.00 H new ATOM 0 HA HIS A 102 166.255 -7.599 5.262 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.499 -6.661 7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.847 -8.333 7.351 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.901 -8.341 6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.645 -5.929 9.908 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.699 -7.452 8.164 1.00 0.00 H new ATOM 1607 N VAL A 103 165.501 -5.303 4.902 1.00 0.00 N ATOM 1608 CA VAL A 103 165.008 -3.953 4.646 1.00 0.00 C ATOM 1609 C VAL A 103 163.856 -3.582 5.575 1.00 0.00 C ATOM 1610 O VAL A 103 163.021 -4.421 5.912 1.00 0.00 O ATOM 1611 CB VAL A 103 164.537 -3.791 3.187 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.346 -4.694 2.903 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.192 -2.337 2.894 1.00 0.00 C ATOM 0 H VAL A 103 164.877 -6.046 4.587 1.00 0.00 H new ATOM 0 HA VAL A 103 165.847 -3.284 4.834 1.00 0.00 H new ATOM 0 HB VAL A 103 165.354 -4.088 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 103 163.030 -4.564 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.630 -5.733 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.524 -4.432 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.862 -2.243 1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.394 -2.011 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 103 165.073 -1.715 3.052 1.00 0.00 H new ATOM 1623 N ILE A 104 163.807 -2.310 5.965 1.00 0.00 N ATOM 1624 CA ILE A 104 162.744 -1.817 6.832 1.00 0.00 C ATOM 1625 C ILE A 104 161.835 -0.853 6.081 1.00 0.00 C ATOM 1626 O ILE A 104 162.307 0.020 5.352 1.00 0.00 O ATOM 1627 CB ILE A 104 163.291 -1.102 8.084 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.576 -0.324 7.757 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.514 -2.105 9.204 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.834 -1.168 7.758 1.00 0.00 C ATOM 0 H ILE A 104 164.491 -1.604 5.694 1.00 0.00 H new ATOM 0 HA ILE A 104 162.181 -2.694 7.151 1.00 0.00 H new ATOM 0 HB ILE A 104 162.552 -0.375 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.466 0.141 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.693 0.482 8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.900 -1.589 10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.569 -2.588 9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.233 -2.858 8.880 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.693 -0.541 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.973 -1.612 8.743 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.742 -1.958 7.013 1.00 0.00 H new ATOM 1642 N TRP A 105 160.530 -1.013 6.267 1.00 0.00 N ATOM 1643 CA TRP A 105 159.555 -0.147 5.608 1.00 0.00 C ATOM 1644 C TRP A 105 158.751 0.648 6.631 1.00 0.00 C ATOM 1645 O TRP A 105 158.518 0.188 7.749 1.00 0.00 O ATOM 1646 CB TRP A 105 158.607 -0.962 4.724 1.00 0.00 C ATOM 1647 CG TRP A 105 159.304 -1.961 3.848 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.405 -3.306 4.056 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.991 -1.693 2.619 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.108 -3.892 3.030 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.478 -2.922 2.135 1.00 0.00 C ATOM 1652 CE3 TRP A 105 160.240 -0.535 1.879 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 161.197 -3.021 0.944 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.949 -0.633 0.702 1.00 0.00 C ATOM 1655 CH2 TRP A 105 161.420 -1.869 0.241 1.00 0.00 C ATOM 0 H TRP A 105 160.122 -1.731 6.866 1.00 0.00 H new ATOM 0 HA TRP A 105 160.108 0.550 4.979 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.893 -1.486 5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.034 -0.280 4.096 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.993 -3.833 4.903 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.320 -4.886 2.948 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.882 0.423 2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.564 -3.973 0.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 161.145 0.258 0.125 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.970 -1.913 -0.687 1.00 0.00 H new ATOM 1666 N LYS A 106 158.330 1.845 6.238 1.00 0.00 N ATOM 1667 CA LYS A 106 157.552 2.713 7.113 1.00 0.00 C ATOM 1668 C LYS A 106 156.169 2.128 7.382 1.00 0.00 C ATOM 1669 O LYS A 106 155.634 1.372 6.570 1.00 0.00 O ATOM 1670 CB LYS A 106 157.411 4.098 6.483 1.00 0.00 C ATOM 1671 CG LYS A 106 156.870 5.151 7.437 1.00 0.00 C ATOM 1672 CD LYS A 106 157.251 6.556 6.995 1.00 0.00 C ATOM 1673 CE LYS A 106 158.294 7.169 7.916 1.00 0.00 C ATOM 1674 NZ LYS A 106 158.141 8.647 8.024 1.00 0.00 N ATOM 0 H LYS A 106 158.516 2.237 5.315 1.00 0.00 H new ATOM 0 HA LYS A 106 158.080 2.796 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 106 158.385 4.421 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 106 156.750 4.029 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 106 155.785 5.068 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 106 157.256 4.967 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 106 157.637 6.525 5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 106 156.362 7.187 6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 106 158.211 6.722 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 106 159.291 6.934 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 158.871 9.026 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 158.246 9.077 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 157.199 8.872 8.404 1.00 0.00 H new ATOM 1688 N LYS A 107 155.595 2.487 8.525 1.00 0.00 N ATOM 1689 CA LYS A 107 154.272 2.003 8.904 1.00 0.00 C ATOM 1690 C LYS A 107 153.207 3.059 8.625 1.00 0.00 C ATOM 1691 O LYS A 107 152.513 2.941 7.593 1.00 0.00 O ATOM 1692 CB LYS A 107 154.250 1.621 10.384 1.00 0.00 C ATOM 1693 CG LYS A 107 155.278 0.565 10.755 1.00 0.00 C ATOM 1694 CD LYS A 107 155.897 0.843 12.115 1.00 0.00 C ATOM 1695 CE LYS A 107 156.667 -0.361 12.635 1.00 0.00 C ATOM 1696 NZ LYS A 107 157.951 0.035 13.276 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.074 3.995 9.442 1.00 0.00 O ATOM 0 H LYS A 107 156.026 3.112 9.206 1.00 0.00 H new ATOM 0 HA LYS A 107 154.050 1.120 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 107 154.426 2.514 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 107 153.256 1.255 10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 107 154.805 -0.417 10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 107 156.061 0.536 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 107 156.566 1.700 12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 107 155.114 1.109 12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 107 156.053 -0.901 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 107 156.869 -1.046 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 158.445 -0.814 13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 158.548 0.528 12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 157.758 0.668 14.078 1.00 0.00 H new