USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot -40:sc= 0.98 USER MOD Set 1.2: A 99 ASN : amide:sc= 0.752 K(o=1.7,f=-1.7) USER MOD Single : A 10 THR OG1 : rot 160:sc= 0 USER MOD Single : A 14 SER OG : rot -28:sc= 0.0854 USER MOD Single : A 15 GLN : amide:sc= -0.098 K(o=-0.098,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 1.96 (180deg=0.712) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0.513 (180deg=0.501) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 30 MET CE :methyl -138:sc= 0 (180deg=-0.0428) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.02 K(o=1,f=-0.68) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 162:sc= -1.88 (180deg=-4.32!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.213 K(o=0.21,f=-6.3!) USER MOD Single : A 76 CYS SG : rot 87:sc= -0.131 USER MOD Single : A 80 HIS : no HE2:sc= 0.127 K(o=0.13,f=-1) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -0.179 K(o=-0.18,f=-2!) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0924) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 55:sc= 1.13 USER MOD Single : A 96 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.012) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 103:sc= 1.02 USER MOD Single : A 106 TYR OH : rot 30:sc= -0.232 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.419 -13.605 -3.486 1.00 0.00 N ATOM 86 CA PHE A 9 8.015 -13.277 -3.724 1.00 0.00 C ATOM 87 C PHE A 9 7.135 -14.084 -2.773 1.00 0.00 C ATOM 88 O PHE A 9 7.470 -15.195 -2.348 1.00 0.00 O ATOM 89 CB PHE A 9 7.595 -13.537 -5.181 1.00 0.00 C ATOM 90 CG PHE A 9 6.118 -13.288 -5.465 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.181 -14.306 -5.208 1.00 0.00 C ATOM 92 CD2 PHE A 9 5.656 -12.031 -5.913 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.825 -14.083 -5.469 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.274 -11.786 -6.067 1.00 0.00 C ATOM 95 CZ PHE A 9 3.368 -12.833 -5.850 1.00 0.00 C ATOM 0 HA PHE A 9 7.886 -12.211 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.191 -12.902 -5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.832 -14.570 -5.436 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.508 -15.256 -4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.366 -11.250 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.124 -14.899 -5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.920 -10.805 -6.348 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.309 -12.664 -5.980 1.00 0.00 H new ATOM 105 N THR A 10 5.976 -13.519 -2.460 1.00 0.00 N ATOM 106 CA THR A 10 5.033 -14.039 -1.498 1.00 0.00 C ATOM 107 C THR A 10 4.244 -15.262 -1.996 1.00 0.00 C ATOM 108 O THR A 10 4.710 -16.391 -1.857 1.00 0.00 O ATOM 109 CB THR A 10 4.185 -12.847 -1.025 1.00 0.00 C ATOM 110 OG1 THR A 10 4.954 -11.696 -0.795 1.00 0.00 O ATOM 111 CG2 THR A 10 3.388 -13.095 0.248 1.00 0.00 C ATOM 0 H THR A 10 5.661 -12.650 -2.892 1.00 0.00 H new ATOM 0 HA THR A 10 5.551 -14.467 -0.640 1.00 0.00 H new ATOM 0 HB THR A 10 3.494 -12.705 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.374 -10.906 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.822 -12.199 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.701 -13.926 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.070 -13.338 1.063 1.00 0.00 H new ATOM 119 N ARG A 11 3.021 -15.023 -2.477 1.00 0.00 N ATOM 120 CA ARG A 11 1.948 -15.820 -3.077 1.00 0.00 C ATOM 121 C ARG A 11 0.708 -15.794 -2.212 1.00 0.00 C ATOM 122 O ARG A 11 -0.395 -15.840 -2.750 1.00 0.00 O ATOM 123 CB ARG A 11 2.315 -17.275 -3.347 1.00 0.00 C ATOM 124 CG ARG A 11 3.154 -17.407 -4.620 1.00 0.00 C ATOM 125 CD ARG A 11 3.923 -18.730 -4.677 1.00 0.00 C ATOM 126 NE ARG A 11 2.988 -19.871 -4.711 1.00 0.00 N ATOM 127 CZ ARG A 11 2.776 -20.767 -3.739 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.529 -20.788 -2.642 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.796 -21.657 -3.847 1.00 0.00 N ATOM 0 H ARG A 11 2.701 -14.055 -2.443 1.00 0.00 H new ATOM 0 HA ARG A 11 1.764 -15.348 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.870 -17.676 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.407 -17.870 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.503 -17.330 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.859 -16.577 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.561 -18.749 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.578 -18.814 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 11 2.445 -19.990 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.285 -20.113 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.350 -21.479 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.199 -21.661 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.640 -22.337 -3.103 1.00 0.00 H new ATOM 143 N ASP A 12 0.860 -15.753 -0.891 1.00 0.00 N ATOM 144 CA ASP A 12 -0.232 -16.127 0.009 1.00 0.00 C ATOM 145 C ASP A 12 -0.239 -15.309 1.297 1.00 0.00 C ATOM 146 O ASP A 12 -0.776 -15.721 2.320 1.00 0.00 O ATOM 147 CB ASP A 12 -0.103 -17.622 0.317 1.00 0.00 C ATOM 148 CG ASP A 12 -1.474 -18.222 0.588 1.00 0.00 C ATOM 149 OD1 ASP A 12 -2.328 -18.090 -0.324 1.00 0.00 O ATOM 150 OD2 ASP A 12 -1.655 -18.861 1.643 1.00 0.00 O ATOM 0 H ASP A 12 1.719 -15.468 -0.421 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.180 -15.915 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.367 -18.135 -0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.544 -17.768 1.182 1.00 0.00 H new ATOM 155 N ALA A 13 0.444 -14.166 1.273 1.00 0.00 N ATOM 156 CA ALA A 13 0.741 -13.252 2.367 1.00 0.00 C ATOM 157 C ALA A 13 1.594 -13.853 3.493 1.00 0.00 C ATOM 158 O ALA A 13 2.306 -13.106 4.152 1.00 0.00 O ATOM 159 CB ALA A 13 -0.528 -12.562 2.861 1.00 0.00 C ATOM 0 H ALA A 13 0.842 -13.826 0.397 1.00 0.00 H new ATOM 0 HA ALA A 13 1.392 -12.482 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.279 -11.885 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.976 -11.996 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.236 -13.312 3.214 1.00 0.00 H new ATOM 165 N SER A 14 1.639 -15.173 3.673 1.00 0.00 N ATOM 166 CA SER A 14 2.339 -15.808 4.783 1.00 0.00 C ATOM 167 C SER A 14 3.873 -15.792 4.630 1.00 0.00 C ATOM 168 O SER A 14 4.597 -16.195 5.548 1.00 0.00 O ATOM 169 CB SER A 14 1.769 -17.220 4.968 1.00 0.00 C ATOM 170 OG SER A 14 2.119 -17.776 6.221 1.00 0.00 O ATOM 0 H SER A 14 1.185 -15.836 3.044 1.00 0.00 H new ATOM 0 HA SER A 14 2.164 -15.227 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.683 -17.187 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.136 -17.866 4.170 1.00 0.00 H new ATOM 0 HG SER A 14 2.973 -17.399 6.519 1.00 0.00 H new ATOM 176 N GLN A 15 4.428 -15.344 3.498 1.00 0.00 N ATOM 177 CA GLN A 15 5.853 -15.003 3.420 1.00 0.00 C ATOM 178 C GLN A 15 6.121 -13.608 3.999 1.00 0.00 C ATOM 179 O GLN A 15 7.242 -13.339 4.436 1.00 0.00 O ATOM 180 CB GLN A 15 6.347 -15.071 1.970 1.00 0.00 C ATOM 181 CG GLN A 15 6.342 -16.475 1.347 1.00 0.00 C ATOM 182 CD GLN A 15 7.531 -17.327 1.769 1.00 0.00 C ATOM 183 OE1 GLN A 15 7.793 -17.478 2.963 1.00 0.00 O ATOM 184 NE2 GLN A 15 8.223 -17.927 0.817 1.00 0.00 N ATOM 0 H GLN A 15 3.915 -15.210 2.627 1.00 0.00 H new ATOM 0 HA GLN A 15 6.401 -15.734 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.725 -14.417 1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.362 -14.675 1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.421 -16.986 1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.338 -16.383 0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.978 -17.779 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.002 -18.538 1.061 1.00 0.00 H new ATOM 193 N LEU A 16 5.120 -12.723 4.058 1.00 0.00 N ATOM 194 CA LEU A 16 5.267 -11.447 4.746 1.00 0.00 C ATOM 195 C LEU A 16 5.432 -11.749 6.231 1.00 0.00 C ATOM 196 O LEU A 16 4.858 -12.723 6.734 1.00 0.00 O ATOM 197 CB LEU A 16 4.062 -10.517 4.522 1.00 0.00 C ATOM 198 CG LEU A 16 3.677 -10.213 3.054 1.00 0.00 C ATOM 199 CD1 LEU A 16 2.786 -8.968 3.020 1.00 0.00 C ATOM 200 CD2 LEU A 16 4.871 -9.996 2.122 1.00 0.00 C ATOM 0 H LEU A 16 4.203 -12.871 3.637 1.00 0.00 H new ATOM 0 HA LEU A 16 6.135 -10.922 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.196 -10.958 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.266 -9.570 5.022 1.00 0.00 H new ATOM 0 HG LEU A 16 3.156 -11.096 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.510 -8.746 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.885 -9.149 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.328 -8.121 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.513 -9.789 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.462 -9.152 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.491 -10.893 2.110 1.00 0.00 H new ATOM 212 N LYS A 17 6.219 -10.952 6.954 1.00 0.00 N ATOM 213 CA LYS A 17 6.526 -11.162 8.351 1.00 0.00 C ATOM 214 C LYS A 17 6.311 -9.846 9.076 1.00 0.00 C ATOM 215 O LYS A 17 6.898 -8.831 8.690 1.00 0.00 O ATOM 216 CB LYS A 17 7.982 -11.619 8.457 1.00 0.00 C ATOM 217 CG LYS A 17 8.200 -13.080 8.041 1.00 0.00 C ATOM 218 CD LYS A 17 7.701 -14.088 9.092 1.00 0.00 C ATOM 219 CE LYS A 17 7.139 -15.349 8.431 1.00 0.00 C ATOM 220 NZ LYS A 17 5.837 -15.093 7.784 1.00 0.00 N ATOM 0 H LYS A 17 6.668 -10.123 6.565 1.00 0.00 H new ATOM 0 HA LYS A 17 5.888 -11.924 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.602 -10.976 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.321 -11.488 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.686 -13.263 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.262 -13.246 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.521 -14.358 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.931 -13.623 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.848 -15.718 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.025 -16.133 9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.745 -15.692 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.069 -15.314 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.778 -14.092 7.507 1.00 0.00 H new ATOM 234 N GLY A 18 5.475 -9.888 10.101 1.00 0.00 N ATOM 235 CA GLY A 18 4.884 -8.752 10.771 1.00 0.00 C ATOM 236 C GLY A 18 3.381 -8.994 10.830 1.00 0.00 C ATOM 237 O GLY A 18 2.901 -10.037 10.374 1.00 0.00 O ATOM 0 H GLY A 18 5.176 -10.774 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.295 -8.641 11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.104 -7.830 10.232 1.00 0.00 H new ATOM 241 N THR A 19 2.645 -8.077 11.450 1.00 0.00 N ATOM 242 CA THR A 19 1.232 -8.284 11.724 1.00 0.00 C ATOM 243 C THR A 19 0.377 -7.705 10.604 1.00 0.00 C ATOM 244 O THR A 19 0.786 -6.795 9.880 1.00 0.00 O ATOM 245 CB THR A 19 0.898 -7.718 13.112 1.00 0.00 C ATOM 246 OG1 THR A 19 1.722 -8.381 14.054 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.563 -7.930 13.525 1.00 0.00 C ATOM 0 H THR A 19 3.008 -7.180 11.772 1.00 0.00 H new ATOM 0 HA THR A 19 1.001 -9.349 11.748 1.00 0.00 H new ATOM 0 HB THR A 19 1.068 -6.642 13.078 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.532 -8.039 14.953 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.726 -7.505 14.515 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.219 -7.439 12.807 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.784 -8.997 13.547 1.00 0.00 H new ATOM 255 N PHE A 20 -0.826 -8.258 10.479 1.00 0.00 N ATOM 256 CA PHE A 20 -1.791 -7.961 9.446 1.00 0.00 C ATOM 257 C PHE A 20 -2.916 -7.139 10.033 1.00 0.00 C ATOM 258 O PHE A 20 -3.461 -7.480 11.085 1.00 0.00 O ATOM 259 CB PHE A 20 -2.304 -9.282 8.872 1.00 0.00 C ATOM 260 CG PHE A 20 -1.404 -9.818 7.786 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.098 -10.271 8.062 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.867 -9.789 6.464 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.754 -10.636 7.006 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.026 -10.173 5.417 1.00 0.00 C ATOM 265 CZ PHE A 20 0.296 -10.561 5.680 1.00 0.00 C ATOM 0 H PHE A 20 -1.164 -8.962 11.135 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.337 -7.381 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.383 -10.018 9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.307 -9.137 8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.247 -10.337 9.083 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.877 -9.469 6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.759 -10.973 7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.395 -10.171 4.402 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.961 -10.802 4.864 1.00 0.00 H new ATOM 275 N LEU A 21 -3.263 -6.062 9.338 1.00 0.00 N ATOM 276 CA LEU A 21 -4.295 -5.123 9.725 1.00 0.00 C ATOM 277 C LEU A 21 -5.444 -5.229 8.727 1.00 0.00 C ATOM 278 O LEU A 21 -5.246 -5.722 7.614 1.00 0.00 O ATOM 279 CB LEU A 21 -3.757 -3.683 9.696 1.00 0.00 C ATOM 280 CG LEU A 21 -2.424 -3.336 10.387 1.00 0.00 C ATOM 281 CD1 LEU A 21 -2.378 -3.757 11.856 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.172 -3.863 9.680 1.00 0.00 C ATOM 0 H LEU A 21 -2.813 -5.815 8.457 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.628 -5.358 10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.662 -3.395 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.523 -3.044 10.134 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.402 -2.248 10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.413 -3.484 12.283 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.173 -3.252 12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.515 -4.836 11.930 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.286 -3.568 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.218 -4.950 9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.120 -3.446 8.674 1.00 0.00 H new ATOM 294 N SER A 22 -6.596 -4.666 9.075 1.00 0.00 N ATOM 295 CA SER A 22 -7.651 -4.306 8.146 1.00 0.00 C ATOM 296 C SER A 22 -8.228 -2.949 8.549 1.00 0.00 C ATOM 297 O SER A 22 -8.245 -2.593 9.734 1.00 0.00 O ATOM 298 CB SER A 22 -8.706 -5.417 8.101 1.00 0.00 C ATOM 299 OG SER A 22 -9.347 -5.634 9.351 1.00 0.00 O ATOM 0 H SER A 22 -6.825 -4.442 10.044 1.00 0.00 H new ATOM 0 HA SER A 22 -7.259 -4.207 7.134 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.458 -5.164 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.234 -6.344 7.777 1.00 0.00 H new ATOM 0 HG SER A 22 -10.009 -6.351 9.259 1.00 0.00 H new ATOM 305 N THR A 23 -8.709 -2.187 7.575 1.00 0.00 N ATOM 306 CA THR A 23 -9.452 -0.952 7.769 1.00 0.00 C ATOM 307 C THR A 23 -10.314 -0.769 6.515 1.00 0.00 C ATOM 308 O THR A 23 -10.016 -1.331 5.457 1.00 0.00 O ATOM 309 CB THR A 23 -8.480 0.214 8.068 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.139 1.467 8.090 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.352 0.348 7.034 1.00 0.00 C ATOM 0 H THR A 23 -8.586 -2.423 6.590 1.00 0.00 H new ATOM 0 HA THR A 23 -10.112 -0.979 8.636 1.00 0.00 H new ATOM 0 HB THR A 23 -8.067 -0.037 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.467 1.648 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.708 1.185 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.765 -0.570 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.781 0.525 6.048 1.00 0.00 H new ATOM 319 N THR A 24 -11.398 -0.007 6.624 1.00 0.00 N ATOM 320 CA THR A 24 -12.374 0.164 5.564 1.00 0.00 C ATOM 321 C THR A 24 -12.609 1.658 5.397 1.00 0.00 C ATOM 322 O THR A 24 -13.238 2.307 6.239 1.00 0.00 O ATOM 323 CB THR A 24 -13.657 -0.601 5.908 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.393 -1.925 6.341 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.637 -0.632 4.739 1.00 0.00 C ATOM 0 H THR A 24 -11.623 0.517 7.470 1.00 0.00 H new ATOM 0 HA THR A 24 -12.017 -0.244 4.618 1.00 0.00 H new ATOM 0 HB THR A 24 -14.115 -0.054 6.732 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.676 -2.311 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.531 -1.184 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.912 0.387 4.468 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.169 -1.121 3.885 1.00 0.00 H new ATOM 333 N LEU A 25 -12.071 2.232 4.321 1.00 0.00 N ATOM 334 CA LEU A 25 -12.179 3.666 4.108 1.00 0.00 C ATOM 335 C LEU A 25 -13.325 3.902 3.144 1.00 0.00 C ATOM 336 O LEU A 25 -13.436 3.229 2.118 1.00 0.00 O ATOM 337 CB LEU A 25 -10.881 4.290 3.576 1.00 0.00 C ATOM 338 CG LEU A 25 -9.642 4.186 4.493 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.767 5.422 4.289 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.921 4.103 6.001 1.00 0.00 C ATOM 0 H LEU A 25 -11.563 1.729 3.594 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.367 4.152 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.641 3.819 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.067 5.344 3.372 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.172 3.246 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.890 5.357 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.450 5.475 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.336 6.317 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.977 4.034 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.458 4.996 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.526 3.221 6.211 1.00 0.00 H new ATOM 352 N LYS A 26 -14.169 4.881 3.466 1.00 0.00 N ATOM 353 CA LYS A 26 -15.165 5.408 2.550 1.00 0.00 C ATOM 354 C LYS A 26 -14.458 6.423 1.668 1.00 0.00 C ATOM 355 O LYS A 26 -13.531 7.110 2.103 1.00 0.00 O ATOM 356 CB LYS A 26 -16.331 6.025 3.339 1.00 0.00 C ATOM 357 CG LYS A 26 -17.500 6.468 2.440 1.00 0.00 C ATOM 358 CD LYS A 26 -18.728 6.918 3.241 1.00 0.00 C ATOM 359 CE LYS A 26 -18.523 8.263 3.944 1.00 0.00 C ATOM 360 NZ LYS A 26 -19.673 8.610 4.803 1.00 0.00 N ATOM 0 H LYS A 26 -14.176 5.332 4.381 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.599 4.626 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.694 5.299 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.967 6.885 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.170 7.286 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.781 5.643 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.585 6.991 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.968 6.158 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.616 8.224 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.376 9.045 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.499 9.527 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.534 8.672 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.797 7.876 5.530 1.00 0.00 H new ATOM 374 N LYS A 27 -14.889 6.493 0.414 1.00 0.00 N ATOM 375 CA LYS A 27 -14.446 7.475 -0.552 1.00 0.00 C ATOM 376 C LYS A 27 -15.050 8.821 -0.135 1.00 0.00 C ATOM 377 O LYS A 27 -16.219 9.088 -0.420 1.00 0.00 O ATOM 378 CB LYS A 27 -14.898 6.988 -1.935 1.00 0.00 C ATOM 379 CG LYS A 27 -14.207 7.729 -3.084 1.00 0.00 C ATOM 380 CD LYS A 27 -12.899 7.024 -3.484 1.00 0.00 C ATOM 381 CE LYS A 27 -12.325 7.675 -4.745 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.075 7.036 -5.213 1.00 0.00 N ATOM 0 H LYS A 27 -15.579 5.844 0.035 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.364 7.603 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.694 5.921 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.977 7.115 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.875 7.779 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.995 8.755 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.177 7.087 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.086 5.965 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.069 7.629 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.134 8.730 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.682 7.582 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.386 7.011 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.278 6.066 -5.527 1.00 0.00 H new ATOM 396 N SER A 28 -14.270 9.604 0.603 1.00 0.00 N ATOM 397 CA SER A 28 -14.571 10.940 1.104 1.00 0.00 C ATOM 398 C SER A 28 -14.258 11.994 0.020 1.00 0.00 C ATOM 399 O SER A 28 -14.087 11.637 -1.151 1.00 0.00 O ATOM 400 CB SER A 28 -13.765 11.153 2.394 1.00 0.00 C ATOM 401 OG SER A 28 -14.292 10.447 3.509 1.00 0.00 O ATOM 0 H SER A 28 -13.340 9.297 0.888 1.00 0.00 H new ATOM 0 HA SER A 28 -15.630 11.048 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.735 10.838 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.739 12.218 2.626 1.00 0.00 H new ATOM 0 HG SER A 28 -13.737 10.620 4.298 1.00 0.00 H new ATOM 407 N ASN A 29 -14.207 13.290 0.383 1.00 0.00 N ATOM 408 CA ASN A 29 -14.227 14.417 -0.560 1.00 0.00 C ATOM 409 C ASN A 29 -13.093 14.417 -1.577 1.00 0.00 C ATOM 410 O ASN A 29 -13.260 15.019 -2.638 1.00 0.00 O ATOM 411 CB ASN A 29 -14.185 15.790 0.141 1.00 0.00 C ATOM 412 CG ASN A 29 -15.492 16.269 0.751 1.00 0.00 C ATOM 413 OD1 ASN A 29 -15.502 16.781 1.867 1.00 0.00 O ATOM 414 ND2 ASN A 29 -16.592 16.187 0.026 1.00 0.00 N ATOM 0 H ASN A 29 -14.150 13.585 1.358 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.175 14.268 -1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.433 15.750 0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.850 16.534 -0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.472 16.553 0.391 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.562 15.758 -0.899 1.00 0.00 H new ATOM 421 N MET A 30 -11.959 13.781 -1.279 1.00 0.00 N ATOM 422 CA MET A 30 -10.875 13.555 -2.229 1.00 0.00 C ATOM 423 C MET A 30 -10.443 12.094 -2.121 1.00 0.00 C ATOM 424 O MET A 30 -9.269 11.767 -1.910 1.00 0.00 O ATOM 425 CB MET A 30 -9.710 14.537 -2.025 1.00 0.00 C ATOM 426 CG MET A 30 -10.094 16.009 -2.197 1.00 0.00 C ATOM 427 SD MET A 30 -10.661 16.836 -0.683 1.00 0.00 S ATOM 428 CE MET A 30 -9.051 17.071 0.120 1.00 0.00 C ATOM 0 H MET A 30 -11.767 13.402 -0.352 1.00 0.00 H new ATOM 0 HA MET A 30 -11.228 13.748 -3.242 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.300 14.394 -1.025 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.917 14.295 -2.732 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.232 16.550 -2.588 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.881 16.078 -2.948 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.138 16.844 1.183 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.317 16.405 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.729 18.105 -0.005 1.00 0.00 H new ATOM 438 N GLY A 31 -11.405 11.181 -2.243 1.00 0.00 N ATOM 439 CA GLY A 31 -11.161 9.762 -2.183 1.00 0.00 C ATOM 440 C GLY A 31 -10.675 9.339 -0.810 1.00 0.00 C ATOM 441 O GLY A 31 -11.363 9.564 0.185 1.00 0.00 O ATOM 0 H GLY A 31 -12.386 11.421 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.077 9.224 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.419 9.487 -2.933 1.00 0.00 H new ATOM 445 N PHE A 32 -9.511 8.692 -0.766 1.00 0.00 N ATOM 446 CA PHE A 32 -8.943 8.151 0.457 1.00 0.00 C ATOM 447 C PHE A 32 -7.724 8.993 0.811 1.00 0.00 C ATOM 448 O PHE A 32 -6.915 9.296 -0.067 1.00 0.00 O ATOM 449 CB PHE A 32 -8.569 6.675 0.253 1.00 0.00 C ATOM 450 CG PHE A 32 -9.592 5.831 -0.487 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.832 5.531 0.111 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.297 5.331 -1.771 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.737 4.678 -0.542 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.218 4.504 -2.434 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.419 4.148 -1.802 1.00 0.00 C ATOM 0 H PHE A 32 -8.933 8.530 -1.591 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.662 8.190 1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.626 6.630 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.394 6.226 1.230 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.086 5.956 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.361 5.584 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.678 4.430 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.002 4.143 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.100 3.464 -2.286 1.00 0.00 H new ATOM 465 N GLY A 33 -7.550 9.355 2.084 1.00 0.00 N ATOM 466 CA GLY A 33 -6.456 10.215 2.534 1.00 0.00 C ATOM 467 C GLY A 33 -5.152 9.439 2.722 1.00 0.00 C ATOM 468 O GLY A 33 -4.513 9.556 3.764 1.00 0.00 O ATOM 0 H GLY A 33 -8.170 9.056 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.301 11.013 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.733 10.690 3.475 1.00 0.00 H new ATOM 472 N PHE A 34 -4.727 8.673 1.719 1.00 0.00 N ATOM 473 CA PHE A 34 -3.386 8.112 1.605 1.00 0.00 C ATOM 474 C PHE A 34 -3.021 8.006 0.124 1.00 0.00 C ATOM 475 O PHE A 34 -3.860 8.272 -0.745 1.00 0.00 O ATOM 476 CB PHE A 34 -3.293 6.763 2.334 1.00 0.00 C ATOM 477 CG PHE A 34 -4.117 5.634 1.743 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.481 5.517 2.065 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.510 4.662 0.928 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.232 4.427 1.595 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.266 3.577 0.450 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.625 3.451 0.784 1.00 0.00 C ATOM 0 H PHE A 34 -5.330 8.418 0.937 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.663 8.768 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.248 6.453 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.601 6.909 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.954 6.270 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.465 4.749 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.276 4.338 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.798 2.834 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.199 2.611 0.421 1.00 0.00 H new ATOM 492 N THR A 35 -1.777 7.642 -0.172 1.00 0.00 N ATOM 493 CA THR A 35 -1.268 7.405 -1.518 1.00 0.00 C ATOM 494 C THR A 35 -0.455 6.108 -1.517 1.00 0.00 C ATOM 495 O THR A 35 -0.010 5.661 -0.460 1.00 0.00 O ATOM 496 CB THR A 35 -0.424 8.610 -1.971 1.00 0.00 C ATOM 497 OG1 THR A 35 0.533 8.966 -0.990 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.297 9.826 -2.294 1.00 0.00 C ATOM 0 H THR A 35 -1.069 7.499 0.548 1.00 0.00 H new ATOM 0 HA THR A 35 -2.090 7.295 -2.226 1.00 0.00 H new ATOM 0 HB THR A 35 0.094 8.303 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.055 9.733 -1.306 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.664 10.655 -2.610 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.991 9.573 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.859 10.116 -1.406 1.00 0.00 H new ATOM 506 N ILE A 36 -0.253 5.492 -2.686 1.00 0.00 N ATOM 507 CA ILE A 36 0.392 4.195 -2.849 1.00 0.00 C ATOM 508 C ILE A 36 1.590 4.329 -3.807 1.00 0.00 C ATOM 509 O ILE A 36 1.689 5.317 -4.547 1.00 0.00 O ATOM 510 CB ILE A 36 -0.685 3.176 -3.301 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.953 3.238 -2.411 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.152 1.740 -3.221 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.099 4.104 -2.949 1.00 0.00 C ATOM 0 H ILE A 36 -0.546 5.901 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 36 0.811 3.823 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.936 3.443 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.325 2.223 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.667 3.614 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.928 1.045 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.718 1.638 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.133 1.514 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.935 4.077 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.755 5.132 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.423 3.719 -3.916 1.00 0.00 H new ATOM 525 N ILE A 37 2.517 3.372 -3.736 1.00 0.00 N ATOM 526 CA ILE A 37 3.684 3.159 -4.588 1.00 0.00 C ATOM 527 C ILE A 37 3.725 1.658 -4.921 1.00 0.00 C ATOM 528 O ILE A 37 3.221 0.837 -4.148 1.00 0.00 O ATOM 529 CB ILE A 37 4.972 3.674 -3.879 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.260 3.372 -4.683 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.108 3.153 -2.434 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.528 4.031 -4.125 1.00 0.00 C ATOM 0 H ILE A 37 2.462 2.659 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 37 3.622 3.724 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 37 4.855 4.757 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.410 2.293 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.117 3.702 -5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.024 3.545 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.251 3.482 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.146 2.064 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.381 3.766 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.404 5.114 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.701 3.682 -3.107 1.00 0.00 H new ATOM 544 N GLY A 38 4.357 1.304 -6.039 1.00 0.00 N ATOM 545 CA GLY A 38 4.647 -0.057 -6.461 1.00 0.00 C ATOM 546 C GLY A 38 6.078 -0.125 -6.978 1.00 0.00 C ATOM 547 O GLY A 38 6.611 0.897 -7.426 1.00 0.00 O ATOM 0 H GLY A 38 4.696 1.997 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.516 -0.745 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.951 -0.365 -7.241 1.00 0.00 H new ATOM 551 N GLY A 39 6.697 -1.305 -6.868 1.00 0.00 N ATOM 552 CA GLY A 39 8.062 -1.585 -7.296 1.00 0.00 C ATOM 553 C GLY A 39 8.338 -1.048 -8.699 1.00 0.00 C ATOM 554 O GLY A 39 9.007 -0.021 -8.844 1.00 0.00 O ATOM 0 H GLY A 39 6.238 -2.120 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.763 -1.138 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.235 -2.661 -7.278 1.00 0.00 H new ATOM 558 N ASP A 40 7.824 -1.733 -9.721 1.00 0.00 N ATOM 559 CA ASP A 40 7.863 -1.321 -11.125 1.00 0.00 C ATOM 560 C ASP A 40 6.951 -2.253 -11.922 1.00 0.00 C ATOM 561 O ASP A 40 6.104 -1.801 -12.693 1.00 0.00 O ATOM 562 CB ASP A 40 9.291 -1.377 -11.710 1.00 0.00 C ATOM 563 CG ASP A 40 9.572 -0.182 -12.628 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.904 -0.001 -13.666 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.458 0.636 -12.283 1.00 0.00 O ATOM 0 H ASP A 40 7.350 -2.626 -9.588 1.00 0.00 H new ATOM 0 HA ASP A 40 7.527 -0.286 -11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.017 -1.391 -10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.420 -2.304 -12.269 1.00 0.00 H new ATOM 570 N GLU A 41 7.069 -3.558 -11.680 1.00 0.00 N ATOM 571 CA GLU A 41 6.480 -4.605 -12.507 1.00 0.00 C ATOM 572 C GLU A 41 5.140 -5.144 -11.986 1.00 0.00 C ATOM 573 O GLU A 41 4.790 -4.904 -10.821 1.00 0.00 O ATOM 574 CB GLU A 41 7.511 -5.737 -12.613 1.00 0.00 C ATOM 575 CG GLU A 41 8.376 -5.522 -13.854 1.00 0.00 C ATOM 576 CD GLU A 41 9.384 -6.643 -14.052 1.00 0.00 C ATOM 577 OE1 GLU A 41 9.138 -7.792 -13.628 1.00 0.00 O ATOM 578 OE2 GLU A 41 10.440 -6.378 -14.667 1.00 0.00 O ATOM 0 H GLU A 41 7.590 -3.923 -10.883 1.00 0.00 H new ATOM 0 HA GLU A 41 6.244 -4.174 -13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.136 -5.759 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.005 -6.700 -12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.736 -5.452 -14.733 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.904 -4.572 -13.767 1.00 0.00 H new ATOM 585 N PRO A 42 4.413 -5.922 -12.817 1.00 0.00 N ATOM 586 CA PRO A 42 3.200 -6.647 -12.449 1.00 0.00 C ATOM 587 C PRO A 42 3.526 -7.877 -11.596 1.00 0.00 C ATOM 588 O PRO A 42 3.148 -9.001 -11.935 1.00 0.00 O ATOM 589 CB PRO A 42 2.526 -6.981 -13.794 1.00 0.00 C ATOM 590 CG PRO A 42 3.723 -7.237 -14.695 1.00 0.00 C ATOM 591 CD PRO A 42 4.688 -6.149 -14.238 1.00 0.00 C ATOM 0 HA PRO A 42 2.527 -6.066 -11.818 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.878 -7.854 -13.719 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.911 -6.158 -14.157 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.135 -8.236 -14.555 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.469 -7.143 -15.751 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.722 -6.459 -14.389 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.542 -5.234 -14.813 1.00 0.00 H new ATOM 599 N ASP A 43 4.230 -7.658 -10.493 1.00 0.00 N ATOM 600 CA ASP A 43 4.676 -8.697 -9.562 1.00 0.00 C ATOM 601 C ASP A 43 5.229 -8.128 -8.251 1.00 0.00 C ATOM 602 O ASP A 43 5.568 -8.893 -7.352 1.00 0.00 O ATOM 603 CB ASP A 43 5.788 -9.538 -10.213 1.00 0.00 C ATOM 604 CG ASP A 43 5.898 -10.931 -9.596 1.00 0.00 C ATOM 605 OD1 ASP A 43 4.928 -11.710 -9.751 1.00 0.00 O ATOM 606 OD2 ASP A 43 6.972 -11.291 -9.057 1.00 0.00 O ATOM 0 H ASP A 43 4.518 -6.722 -10.209 1.00 0.00 H new ATOM 0 HA ASP A 43 3.797 -9.300 -9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.592 -9.631 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.741 -9.020 -10.107 1.00 0.00 H new ATOM 611 N GLU A 44 5.412 -6.807 -8.141 1.00 0.00 N ATOM 612 CA GLU A 44 6.186 -6.221 -7.046 1.00 0.00 C ATOM 613 C GLU A 44 5.331 -5.886 -5.834 1.00 0.00 C ATOM 614 O GLU A 44 4.114 -5.729 -5.928 1.00 0.00 O ATOM 615 CB GLU A 44 6.916 -4.944 -7.485 1.00 0.00 C ATOM 616 CG GLU A 44 7.798 -5.150 -8.712 1.00 0.00 C ATOM 617 CD GLU A 44 8.981 -6.092 -8.500 1.00 0.00 C ATOM 618 OE1 GLU A 44 9.388 -6.334 -7.337 1.00 0.00 O ATOM 619 OE2 GLU A 44 9.561 -6.541 -9.509 1.00 0.00 O ATOM 0 H GLU A 44 5.033 -6.125 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 44 6.910 -6.987 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.181 -4.168 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.530 -4.582 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.183 -5.539 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.177 -4.181 -9.036 1.00 0.00 H new ATOM 626 N PHE A 45 6.025 -5.698 -4.714 1.00 0.00 N ATOM 627 CA PHE A 45 5.420 -5.294 -3.459 1.00 0.00 C ATOM 628 C PHE A 45 4.871 -3.877 -3.621 1.00 0.00 C ATOM 629 O PHE A 45 5.534 -2.988 -4.169 1.00 0.00 O ATOM 630 CB PHE A 45 6.427 -5.393 -2.302 1.00 0.00 C ATOM 631 CG PHE A 45 7.173 -6.714 -2.227 1.00 0.00 C ATOM 632 CD1 PHE A 45 6.515 -7.857 -1.736 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.505 -6.824 -2.683 1.00 0.00 C ATOM 634 CE1 PHE A 45 7.176 -9.098 -1.717 1.00 0.00 C ATOM 635 CE2 PHE A 45 9.154 -8.075 -2.692 1.00 0.00 C ATOM 636 CZ PHE A 45 8.483 -9.217 -2.217 1.00 0.00 C ATOM 0 H PHE A 45 7.035 -5.825 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 45 4.600 -5.966 -3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.153 -4.585 -2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.898 -5.235 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.501 -7.781 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.029 -5.945 -3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.675 -9.966 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.165 -8.157 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.971 -10.180 -2.237 1.00 0.00 H new ATOM 646 N LEU A 46 3.646 -3.669 -3.151 1.00 0.00 N ATOM 647 CA LEU A 46 2.953 -2.389 -3.154 1.00 0.00 C ATOM 648 C LEU A 46 2.996 -1.869 -1.725 1.00 0.00 C ATOM 649 O LEU A 46 2.687 -2.631 -0.806 1.00 0.00 O ATOM 650 CB LEU A 46 1.486 -2.604 -3.549 1.00 0.00 C ATOM 651 CG LEU A 46 1.262 -3.181 -4.957 1.00 0.00 C ATOM 652 CD1 LEU A 46 -0.108 -3.854 -4.979 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.285 -2.093 -6.035 1.00 0.00 C ATOM 0 H LEU A 46 3.088 -4.418 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 46 3.416 -1.694 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.026 -3.274 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.964 -1.650 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 46 2.066 -3.885 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.292 -4.272 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.133 -4.652 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.878 -3.119 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.123 -2.546 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.497 -1.367 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.252 -1.590 -6.024 1.00 0.00 H new ATOM 665 N GLN A 47 3.291 -0.588 -1.508 1.00 0.00 N ATOM 666 CA GLN A 47 3.289 -0.010 -0.165 1.00 0.00 C ATOM 667 C GLN A 47 2.484 1.276 -0.129 1.00 0.00 C ATOM 668 O GLN A 47 2.391 1.985 -1.133 1.00 0.00 O ATOM 669 CB GLN A 47 4.708 0.279 0.334 1.00 0.00 C ATOM 670 CG GLN A 47 5.598 -0.961 0.397 1.00 0.00 C ATOM 671 CD GLN A 47 6.876 -0.685 1.182 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.934 -0.467 0.606 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.809 -0.608 2.502 1.00 0.00 N ATOM 0 H GLN A 47 3.535 0.071 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 47 2.830 -0.749 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.172 1.016 -0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.651 0.726 1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.051 -1.780 0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.851 -1.282 -0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.926 -0.790 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.640 -0.367 3.042 1.00 0.00 H new ATOM 682 N VAL A 48 1.940 1.627 1.038 1.00 0.00 N ATOM 683 CA VAL A 48 1.438 2.979 1.244 1.00 0.00 C ATOM 684 C VAL A 48 2.633 3.945 1.126 1.00 0.00 C ATOM 685 O VAL A 48 3.610 3.813 1.869 1.00 0.00 O ATOM 686 CB VAL A 48 0.707 3.022 2.601 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.421 4.446 3.083 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.620 2.255 2.480 1.00 0.00 C ATOM 0 H VAL A 48 1.838 1.004 1.839 1.00 0.00 H new ATOM 0 HA VAL A 48 0.708 3.288 0.496 1.00 0.00 H new ATOM 0 HB VAL A 48 1.365 2.560 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.095 4.409 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.360 4.987 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.207 4.958 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.143 2.281 3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.240 2.720 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.418 1.220 2.204 1.00 0.00 H new ATOM 698 N LYS A 49 2.588 4.874 0.163 1.00 0.00 N ATOM 699 CA LYS A 49 3.639 5.851 -0.142 1.00 0.00 C ATOM 700 C LYS A 49 3.714 6.902 0.958 1.00 0.00 C ATOM 701 O LYS A 49 4.803 7.141 1.482 1.00 0.00 O ATOM 702 CB LYS A 49 3.376 6.486 -1.521 1.00 0.00 C ATOM 703 CG LYS A 49 4.591 7.188 -2.155 1.00 0.00 C ATOM 704 CD LYS A 49 4.263 7.669 -3.586 1.00 0.00 C ATOM 705 CE LYS A 49 5.492 7.760 -4.508 1.00 0.00 C ATOM 706 NZ LYS A 49 6.318 8.959 -4.276 1.00 0.00 N ATOM 0 H LYS A 49 1.780 4.969 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 49 4.605 5.348 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.028 5.709 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.567 7.210 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.887 8.038 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.439 6.503 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.537 6.988 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.789 8.649 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.108 6.872 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.158 7.754 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.127 8.955 -4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.745 9.812 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.666 8.957 -3.296 1.00 0.00 H new ATOM 720 N SER A 50 2.566 7.483 1.309 1.00 0.00 N ATOM 721 CA SER A 50 2.357 8.330 2.470 1.00 0.00 C ATOM 722 C SER A 50 0.898 8.215 2.889 1.00 0.00 C ATOM 723 O SER A 50 0.022 8.019 2.042 1.00 0.00 O ATOM 724 CB SER A 50 2.636 9.792 2.134 1.00 0.00 C ATOM 725 OG SER A 50 3.892 9.973 1.506 1.00 0.00 O ATOM 0 H SER A 50 1.716 7.365 0.758 1.00 0.00 H new ATOM 0 HA SER A 50 3.031 8.010 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.849 10.168 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.601 10.385 3.048 1.00 0.00 H new ATOM 0 HG SER A 50 4.025 10.924 1.309 1.00 0.00 H new ATOM 731 N VAL A 51 0.629 8.425 4.169 1.00 0.00 N ATOM 732 CA VAL A 51 -0.693 8.770 4.678 1.00 0.00 C ATOM 733 C VAL A 51 -0.778 10.299 4.645 1.00 0.00 C ATOM 734 O VAL A 51 0.196 10.962 5.013 1.00 0.00 O ATOM 735 CB VAL A 51 -0.862 8.210 6.103 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.295 8.416 6.620 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.583 6.705 6.149 1.00 0.00 C ATOM 0 H VAL A 51 1.338 8.359 4.900 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.495 8.339 4.078 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.149 8.751 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.380 8.010 7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.526 9.481 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.996 7.903 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.711 6.342 7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.278 6.186 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.439 6.514 5.822 1.00 0.00 H new ATOM 747 N ILE A 52 -1.900 10.858 4.191 1.00 0.00 N ATOM 748 CA ILE A 52 -2.126 12.300 4.215 1.00 0.00 C ATOM 749 C ILE A 52 -2.307 12.719 5.685 1.00 0.00 C ATOM 750 O ILE A 52 -2.906 11.963 6.459 1.00 0.00 O ATOM 751 CB ILE A 52 -3.374 12.648 3.371 1.00 0.00 C ATOM 752 CG1 ILE A 52 -3.328 12.195 1.910 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.657 14.128 3.286 1.00 0.00 C ATOM 754 CD1 ILE A 52 -2.090 12.520 1.082 1.00 0.00 C ATOM 0 H ILE A 52 -2.675 10.324 3.798 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.282 12.838 3.784 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.142 12.105 3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.461 11.113 1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.189 12.629 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.546 14.294 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.823 14.525 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.807 14.635 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.216 12.131 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.953 13.601 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.214 12.061 1.541 1.00 0.00 H new ATOM 766 N PRO A 53 -1.808 13.890 6.106 1.00 0.00 N ATOM 767 CA PRO A 53 -2.149 14.442 7.409 1.00 0.00 C ATOM 768 C PRO A 53 -3.532 15.096 7.383 1.00 0.00 C ATOM 769 O PRO A 53 -3.873 15.786 6.426 1.00 0.00 O ATOM 770 CB PRO A 53 -1.051 15.470 7.692 1.00 0.00 C ATOM 771 CG PRO A 53 -0.680 15.970 6.295 1.00 0.00 C ATOM 772 CD PRO A 53 -0.859 14.743 5.402 1.00 0.00 C ATOM 0 HA PRO A 53 -2.200 13.676 8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.410 16.279 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.198 15.020 8.199 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.326 16.790 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.345 16.341 6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.237 15.024 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.089 14.230 5.244 1.00 0.00 H new ATOM 780 N ASP A 54 -4.280 14.930 8.474 1.00 0.00 N ATOM 781 CA ASP A 54 -5.668 15.365 8.635 1.00 0.00 C ATOM 782 C ASP A 54 -6.508 14.966 7.415 1.00 0.00 C ATOM 783 O ASP A 54 -6.926 15.793 6.601 1.00 0.00 O ATOM 784 CB ASP A 54 -5.756 16.856 9.002 1.00 0.00 C ATOM 785 CG ASP A 54 -7.067 17.174 9.726 1.00 0.00 C ATOM 786 OD1 ASP A 54 -8.163 16.754 9.305 1.00 0.00 O ATOM 787 OD2 ASP A 54 -6.987 17.807 10.806 1.00 0.00 O ATOM 0 H ASP A 54 -3.918 14.467 9.308 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.106 14.840 9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.912 17.127 9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.681 17.460 8.098 1.00 0.00 H new ATOM 792 N GLY A 55 -6.707 13.653 7.278 1.00 0.00 N ATOM 793 CA GLY A 55 -7.580 13.041 6.287 1.00 0.00 C ATOM 794 C GLY A 55 -8.205 11.757 6.845 1.00 0.00 C ATOM 795 O GLY A 55 -7.845 11.319 7.941 1.00 0.00 O ATOM 0 H GLY A 55 -6.247 12.968 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.365 13.741 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.013 12.814 5.384 1.00 0.00 H new ATOM 799 N PRO A 56 -9.116 11.101 6.104 1.00 0.00 N ATOM 800 CA PRO A 56 -9.953 10.030 6.649 1.00 0.00 C ATOM 801 C PRO A 56 -9.139 8.804 7.080 1.00 0.00 C ATOM 802 O PRO A 56 -9.480 8.136 8.057 1.00 0.00 O ATOM 803 CB PRO A 56 -10.964 9.684 5.548 1.00 0.00 C ATOM 804 CG PRO A 56 -10.408 10.301 4.265 1.00 0.00 C ATOM 805 CD PRO A 56 -9.451 11.399 4.723 1.00 0.00 C ATOM 0 HA PRO A 56 -10.452 10.361 7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.077 8.605 5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.949 10.087 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.890 9.555 3.663 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.208 10.710 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.556 11.418 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.918 12.381 4.640 1.00 0.00 H new ATOM 813 N ALA A 57 -8.042 8.523 6.366 1.00 0.00 N ATOM 814 CA ALA A 57 -7.142 7.432 6.702 1.00 0.00 C ATOM 815 C ALA A 57 -6.485 7.701 8.058 1.00 0.00 C ATOM 816 O ALA A 57 -6.493 6.828 8.927 1.00 0.00 O ATOM 817 CB ALA A 57 -6.102 7.266 5.588 1.00 0.00 C ATOM 0 H ALA A 57 -7.760 9.051 5.540 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.699 6.499 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.427 6.448 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.608 7.043 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.531 8.188 5.483 1.00 0.00 H new ATOM 823 N ALA A 58 -5.951 8.915 8.237 1.00 0.00 N ATOM 824 CA ALA A 58 -5.308 9.357 9.464 1.00 0.00 C ATOM 825 C ALA A 58 -6.269 9.295 10.656 1.00 0.00 C ATOM 826 O ALA A 58 -5.836 8.914 11.743 1.00 0.00 O ATOM 827 CB ALA A 58 -4.756 10.777 9.287 1.00 0.00 C ATOM 0 H ALA A 58 -5.958 9.630 7.509 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.481 8.679 9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.276 11.099 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.026 10.785 8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.573 11.457 9.046 1.00 0.00 H new ATOM 833 N GLN A 59 -7.548 9.637 10.461 1.00 0.00 N ATOM 834 CA GLN A 59 -8.561 9.585 11.516 1.00 0.00 C ATOM 835 C GLN A 59 -8.877 8.153 11.956 1.00 0.00 C ATOM 836 O GLN A 59 -9.152 7.926 13.133 1.00 0.00 O ATOM 837 CB GLN A 59 -9.861 10.255 11.054 1.00 0.00 C ATOM 838 CG GLN A 59 -9.752 11.782 10.939 1.00 0.00 C ATOM 839 CD GLN A 59 -11.048 12.429 11.410 1.00 0.00 C ATOM 840 OE1 GLN A 59 -11.347 12.420 12.601 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.871 12.958 10.525 1.00 0.00 N ATOM 0 H GLN A 59 -7.909 9.959 9.563 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.142 10.121 12.367 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.148 9.845 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.658 10.007 11.755 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.916 12.142 11.539 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.548 12.064 9.906 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.621 12.965 9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.757 13.360 10.830 1.00 0.00 H new ATOM 850 N ASP A 60 -8.844 7.184 11.033 1.00 0.00 N ATOM 851 CA ASP A 60 -8.943 5.772 11.417 1.00 0.00 C ATOM 852 C ASP A 60 -7.675 5.367 12.177 1.00 0.00 C ATOM 853 O ASP A 60 -7.693 4.501 13.053 1.00 0.00 O ATOM 854 CB ASP A 60 -9.084 4.878 10.173 1.00 0.00 C ATOM 855 CG ASP A 60 -10.221 3.867 10.288 1.00 0.00 C ATOM 856 OD1 ASP A 60 -11.394 4.303 10.269 1.00 0.00 O ATOM 857 OD2 ASP A 60 -9.923 2.651 10.281 1.00 0.00 O ATOM 0 H ASP A 60 -8.751 7.348 10.031 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.823 5.643 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.252 5.507 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.147 4.345 10.008 1.00 0.00 H new ATOM 862 N GLY A 61 -6.545 5.963 11.783 1.00 0.00 N ATOM 863 CA GLY A 61 -5.210 5.750 12.320 1.00 0.00 C ATOM 864 C GLY A 61 -4.609 4.387 11.982 1.00 0.00 C ATOM 865 O GLY A 61 -3.445 4.143 12.286 1.00 0.00 O ATOM 0 H GLY A 61 -6.546 6.651 11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.549 6.530 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.245 5.861 13.404 1.00 0.00 H new ATOM 869 N LYS A 62 -5.379 3.498 11.357 1.00 0.00 N ATOM 870 CA LYS A 62 -4.920 2.182 10.945 1.00 0.00 C ATOM 871 C LYS A 62 -3.849 2.337 9.867 1.00 0.00 C ATOM 872 O LYS A 62 -2.817 1.675 9.946 1.00 0.00 O ATOM 873 CB LYS A 62 -6.123 1.351 10.462 1.00 0.00 C ATOM 874 CG LYS A 62 -7.236 1.218 11.521 1.00 0.00 C ATOM 875 CD LYS A 62 -6.878 0.275 12.671 1.00 0.00 C ATOM 876 CE LYS A 62 -7.452 0.829 13.984 1.00 0.00 C ATOM 877 NZ LYS A 62 -7.394 -0.118 15.120 1.00 0.00 N ATOM 0 H LYS A 62 -6.355 3.679 11.121 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.469 1.650 11.783 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.537 1.811 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.779 0.356 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.459 2.205 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.145 0.859 11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.278 -0.720 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.796 0.173 12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.907 1.734 14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.490 1.119 13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.799 0.330 15.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.938 -0.973 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.404 -0.377 15.306 1.00 0.00 H new ATOM 891 N MET A 63 -4.100 3.203 8.880 1.00 0.00 N ATOM 892 CA MET A 63 -3.146 3.541 7.839 1.00 0.00 C ATOM 893 C MET A 63 -1.956 4.267 8.463 1.00 0.00 C ATOM 894 O MET A 63 -2.119 5.344 9.050 1.00 0.00 O ATOM 895 CB MET A 63 -3.804 4.444 6.785 1.00 0.00 C ATOM 896 CG MET A 63 -3.215 4.323 5.378 1.00 0.00 C ATOM 897 SD MET A 63 -3.876 2.988 4.349 1.00 0.00 S ATOM 898 CE MET A 63 -5.660 3.254 4.527 1.00 0.00 C ATOM 0 H MET A 63 -4.990 3.693 8.788 1.00 0.00 H new ATOM 0 HA MET A 63 -2.808 2.625 7.354 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.868 4.210 6.740 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.719 5.481 7.111 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.373 5.268 4.858 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.137 4.185 5.468 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.187 2.737 3.725 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.992 2.864 5.489 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.876 4.321 4.474 1.00 0.00 H new ATOM 908 N GLU A 64 -0.763 3.721 8.261 1.00 0.00 N ATOM 909 CA GLU A 64 0.515 4.359 8.521 1.00 0.00 C ATOM 910 C GLU A 64 1.436 4.128 7.324 1.00 0.00 C ATOM 911 O GLU A 64 1.243 3.231 6.500 1.00 0.00 O ATOM 912 CB GLU A 64 1.148 3.797 9.784 1.00 0.00 C ATOM 913 CG GLU A 64 0.322 4.117 11.039 1.00 0.00 C ATOM 914 CD GLU A 64 0.700 3.200 12.200 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.898 2.828 12.285 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.207 2.759 12.943 1.00 0.00 O ATOM 0 H GLU A 64 -0.659 2.775 7.893 1.00 0.00 H new ATOM 0 HA GLU A 64 0.360 5.428 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.253 2.716 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.152 4.206 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.481 5.156 11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.739 4.007 10.816 1.00 0.00 H new ATOM 923 N THR A 65 2.460 4.953 7.198 1.00 0.00 N ATOM 924 CA THR A 65 3.356 4.868 6.059 1.00 0.00 C ATOM 925 C THR A 65 4.324 3.690 6.287 1.00 0.00 C ATOM 926 O THR A 65 4.608 3.340 7.438 1.00 0.00 O ATOM 927 CB THR A 65 3.997 6.248 5.853 1.00 0.00 C ATOM 928 OG1 THR A 65 3.000 7.264 5.880 1.00 0.00 O ATOM 929 CG2 THR A 65 4.629 6.327 4.469 1.00 0.00 C ATOM 0 H THR A 65 2.691 5.687 7.868 1.00 0.00 H new ATOM 0 HA THR A 65 2.852 4.641 5.120 1.00 0.00 H new ATOM 0 HB THR A 65 4.733 6.388 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.421 8.139 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.081 7.309 4.331 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.396 5.558 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.863 6.171 3.710 1.00 0.00 H new ATOM 937 N GLY A 66 4.790 3.031 5.219 1.00 0.00 N ATOM 938 CA GLY A 66 5.651 1.847 5.301 1.00 0.00 C ATOM 939 C GLY A 66 4.881 0.524 5.290 1.00 0.00 C ATOM 940 O GLY A 66 5.491 -0.538 5.171 1.00 0.00 O ATOM 0 H GLY A 66 4.576 3.310 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.349 1.858 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.246 1.904 6.213 1.00 0.00 H new ATOM 944 N ASP A 67 3.550 0.546 5.382 1.00 0.00 N ATOM 945 CA ASP A 67 2.768 -0.690 5.327 1.00 0.00 C ATOM 946 C ASP A 67 2.717 -1.223 3.888 1.00 0.00 C ATOM 947 O ASP A 67 2.877 -0.454 2.937 1.00 0.00 O ATOM 948 CB ASP A 67 1.347 -0.438 5.801 1.00 0.00 C ATOM 949 CG ASP A 67 1.151 -0.283 7.304 1.00 0.00 C ATOM 950 OD1 ASP A 67 1.906 -0.847 8.129 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.159 0.384 7.663 1.00 0.00 O ATOM 0 H ASP A 67 2.996 1.395 5.494 1.00 0.00 H new ATOM 0 HA ASP A 67 3.248 -1.423 5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.980 0.465 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.721 -1.262 5.458 1.00 0.00 H new ATOM 956 N VAL A 68 2.449 -2.521 3.721 1.00 0.00 N ATOM 957 CA VAL A 68 2.421 -3.247 2.442 1.00 0.00 C ATOM 958 C VAL A 68 0.970 -3.610 2.114 1.00 0.00 C ATOM 959 O VAL A 68 0.295 -4.154 2.986 1.00 0.00 O ATOM 960 CB VAL A 68 3.284 -4.524 2.577 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.206 -5.439 1.344 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.744 -4.152 2.859 1.00 0.00 C ATOM 0 H VAL A 68 2.234 -3.127 4.513 1.00 0.00 H new ATOM 0 HA VAL A 68 2.823 -2.631 1.638 1.00 0.00 H new ATOM 0 HB VAL A 68 2.875 -5.087 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.833 -6.316 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.174 -5.754 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.556 -4.896 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.340 -5.060 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.130 -3.547 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.802 -3.584 3.787 1.00 0.00 H new ATOM 972 N ILE A 69 0.477 -3.324 0.903 1.00 0.00 N ATOM 973 CA ILE A 69 -0.847 -3.705 0.425 1.00 0.00 C ATOM 974 C ILE A 69 -0.800 -5.170 0.008 1.00 0.00 C ATOM 975 O ILE A 69 0.025 -5.573 -0.816 1.00 0.00 O ATOM 976 CB ILE A 69 -1.383 -2.799 -0.706 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.427 -1.305 -0.333 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.846 -3.182 -1.007 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.119 -0.542 -0.465 1.00 0.00 C ATOM 0 H ILE A 69 1.012 -2.802 0.209 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.558 -3.568 1.240 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.703 -2.945 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.173 -0.817 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.771 -1.219 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.232 -2.547 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.892 -4.225 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.450 -3.045 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.273 0.497 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.632 -0.992 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.224 -0.584 -1.499 1.00 0.00 H new ATOM 991 N VAL A 70 -1.729 -5.938 0.570 1.00 0.00 N ATOM 992 CA VAL A 70 -1.899 -7.356 0.294 1.00 0.00 C ATOM 993 C VAL A 70 -3.201 -7.583 -0.477 1.00 0.00 C ATOM 994 O VAL A 70 -3.191 -8.183 -1.551 1.00 0.00 O ATOM 995 CB VAL A 70 -1.893 -8.162 1.605 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.579 -9.628 1.324 1.00 0.00 C ATOM 997 CG2 VAL A 70 -0.987 -7.609 2.711 1.00 0.00 C ATOM 0 H VAL A 70 -2.401 -5.579 1.248 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.067 -7.701 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.902 -8.065 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.578 -10.186 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.335 -10.041 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.599 -9.707 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.055 -8.249 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.044 -7.585 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.305 -6.599 2.971 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.329 -7.108 0.057 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.648 -7.347 -0.506 1.00 0.00 C ATOM 1009 C TYR A 71 -6.403 -6.026 -0.497 1.00 0.00 C ATOM 1010 O TYR A 71 -6.291 -5.258 0.459 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.419 -8.412 0.294 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.772 -9.785 0.432 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -4.926 -10.092 1.516 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -6.069 -10.797 -0.495 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -4.369 -11.372 1.676 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -5.467 -12.065 -0.386 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.611 -12.362 0.695 1.00 0.00 C ATOM 1018 OH TYR A 71 -3.992 -13.575 0.734 1.00 0.00 O ATOM 0 H TYR A 71 -4.345 -6.540 0.904 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.548 -7.726 -1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.595 -8.020 1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.395 -8.544 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.700 -9.325 2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.765 -10.601 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.762 -11.598 2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.662 -12.817 -1.136 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.289 -14.118 -0.025 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.184 -5.780 -1.543 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.100 -4.658 -1.661 1.00 0.00 C ATOM 1030 C ILE A 72 -9.479 -5.275 -1.786 1.00 0.00 C ATOM 1031 O ILE A 72 -9.809 -5.896 -2.797 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.752 -3.730 -2.847 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.390 -3.062 -2.557 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.860 -2.673 -3.071 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.931 -2.036 -3.595 1.00 0.00 C ATOM 0 H ILE A 72 -7.194 -6.384 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.039 -4.003 -0.792 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.685 -4.314 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.444 -2.572 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.631 -3.841 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.589 -2.034 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.803 -3.175 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.969 -2.065 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.965 -1.626 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.837 -2.519 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.663 -1.231 -3.659 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.276 -5.055 -0.749 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.700 -5.289 -0.621 1.00 0.00 C ATOM 1049 C ASN A 73 -12.009 -6.769 -0.531 1.00 0.00 C ATOM 1050 O ASN A 73 -12.401 -7.247 0.533 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.474 -4.565 -1.729 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.894 -4.237 -1.329 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.162 -3.924 -0.169 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.800 -4.233 -2.285 1.00 0.00 N ATOM 0 H ASN A 73 -9.895 -4.666 0.114 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.043 -4.859 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.952 -3.644 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.487 -5.187 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.761 -3.964 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.540 -4.499 -3.235 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.805 -7.489 -1.626 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.851 -8.942 -1.689 1.00 0.00 C ATOM 1063 C GLU A 74 -11.026 -9.465 -2.888 1.00 0.00 C ATOM 1064 O GLU A 74 -11.290 -10.556 -3.394 1.00 0.00 O ATOM 1065 CB GLU A 74 -13.322 -9.391 -1.735 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.493 -10.863 -1.292 1.00 0.00 C ATOM 1067 CD GLU A 74 -14.603 -11.621 -2.028 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -15.129 -11.127 -3.059 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -14.974 -12.727 -1.585 1.00 0.00 O ATOM 0 H GLU A 74 -11.595 -7.060 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.394 -9.373 -0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.918 -8.746 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.706 -9.270 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.550 -11.387 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.702 -10.886 -0.222 1.00 0.00 H new ATOM 1076 N VAL A 75 -10.030 -8.715 -3.373 1.00 0.00 N ATOM 1077 CA VAL A 75 -9.096 -9.140 -4.418 1.00 0.00 C ATOM 1078 C VAL A 75 -7.694 -9.113 -3.819 1.00 0.00 C ATOM 1079 O VAL A 75 -7.297 -8.137 -3.179 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.232 -8.245 -5.673 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.051 -8.371 -6.650 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.503 -8.621 -6.443 1.00 0.00 C ATOM 0 H VAL A 75 -9.848 -7.769 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.317 -10.153 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.262 -7.220 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.215 -7.716 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.129 -8.085 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.971 -9.402 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.594 -7.988 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.447 -9.665 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.373 -8.477 -5.802 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.937 -10.189 -4.027 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.514 -10.245 -3.751 1.00 0.00 C ATOM 1094 C CYS A 76 -4.788 -9.367 -4.755 1.00 0.00 C ATOM 1095 O CYS A 76 -4.774 -9.678 -5.944 1.00 0.00 O ATOM 1096 CB CYS A 76 -5.029 -11.692 -3.837 1.00 0.00 C ATOM 1097 SG CYS A 76 -3.321 -11.771 -3.239 1.00 0.00 S ATOM 0 H CYS A 76 -7.310 -11.062 -4.400 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.308 -9.879 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.669 -12.341 -3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.086 -12.049 -4.865 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.320 -11.931 -1.949 1.00 0.00 H new ATOM 1103 N VAL A 77 -4.135 -8.315 -4.274 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.320 -7.427 -5.089 1.00 0.00 C ATOM 1105 C VAL A 77 -1.830 -7.547 -4.746 1.00 0.00 C ATOM 1106 O VAL A 77 -1.031 -6.786 -5.274 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.826 -5.983 -4.967 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.276 -5.826 -5.449 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.690 -5.413 -3.552 1.00 0.00 C ATOM 0 H VAL A 77 -4.159 -8.052 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.419 -7.731 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.175 -5.406 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.585 -4.786 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.345 -6.118 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.929 -6.462 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.065 -4.390 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.267 -6.023 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.641 -5.420 -3.256 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.436 -8.476 -3.871 1.00 0.00 N ATOM 1120 CA LEU A 78 -0.079 -8.586 -3.340 1.00 0.00 C ATOM 1121 C LEU A 78 1.011 -8.697 -4.405 1.00 0.00 C ATOM 1122 O LEU A 78 2.149 -8.351 -4.106 1.00 0.00 O ATOM 1123 CB LEU A 78 -0.039 -9.668 -2.256 1.00 0.00 C ATOM 1124 CG LEU A 78 0.142 -11.130 -2.696 1.00 0.00 C ATOM 1125 CD1 LEU A 78 1.578 -11.414 -3.129 1.00 0.00 C ATOM 1126 CD2 LEU A 78 -0.184 -12.049 -1.509 1.00 0.00 C ATOM 0 H LEU A 78 -2.068 -9.188 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 78 0.176 -7.639 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.773 -9.423 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.966 -9.604 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.523 -11.311 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.667 -12.457 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.840 -10.768 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.254 -11.220 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.059 -13.089 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.489 -11.827 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.214 -11.884 -1.193 1.00 0.00 H new ATOM 1138 N GLY A 79 0.677 -9.166 -5.610 1.00 0.00 N ATOM 1139 CA GLY A 79 1.542 -9.214 -6.772 1.00 0.00 C ATOM 1140 C GLY A 79 0.858 -8.569 -7.976 1.00 0.00 C ATOM 1141 O GLY A 79 1.158 -8.963 -9.106 1.00 0.00 O ATOM 0 H GLY A 79 -0.253 -9.539 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.477 -8.697 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.795 -10.249 -7.002 1.00 0.00 H new ATOM 1145 N HIS A 80 -0.125 -7.680 -7.775 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.683 -6.862 -8.853 1.00 0.00 C ATOM 1147 C HIS A 80 0.287 -5.737 -9.207 1.00 0.00 C ATOM 1148 O HIS A 80 1.117 -5.311 -8.405 1.00 0.00 O ATOM 1149 CB HIS A 80 -2.072 -6.280 -8.509 1.00 0.00 C ATOM 1150 CG HIS A 80 -3.242 -7.137 -8.936 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.487 -6.718 -9.369 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -3.233 -8.499 -9.015 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -5.208 -7.814 -9.656 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.482 -8.925 -9.465 1.00 0.00 N ATOM 0 H HIS A 80 -0.552 -7.511 -6.864 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.822 -7.518 -9.713 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.128 -6.124 -7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.166 -5.301 -8.978 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.801 -5.751 -9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.399 -9.140 -8.770 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.233 -7.802 -9.995 1.00 0.00 H new ATOM 1162 N THR A 81 0.136 -5.210 -10.416 1.00 0.00 N ATOM 1163 CA THR A 81 0.858 -4.034 -10.858 1.00 0.00 C ATOM 1164 C THR A 81 0.199 -2.801 -10.225 1.00 0.00 C ATOM 1165 O THR A 81 -1.025 -2.761 -10.035 1.00 0.00 O ATOM 1166 CB THR A 81 0.882 -4.065 -12.393 1.00 0.00 C ATOM 1167 OG1 THR A 81 2.003 -3.424 -12.966 1.00 0.00 O ATOM 1168 CG2 THR A 81 -0.382 -3.551 -13.038 1.00 0.00 C ATOM 0 H THR A 81 -0.497 -5.593 -11.119 1.00 0.00 H new ATOM 0 HA THR A 81 1.899 -4.002 -10.536 1.00 0.00 H new ATOM 0 HB THR A 81 0.960 -5.130 -12.611 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.951 -3.485 -13.943 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.285 -3.606 -14.122 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.227 -4.160 -12.718 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.547 -2.516 -12.740 1.00 0.00 H new ATOM 1176 N HIS A 82 0.986 -1.758 -9.958 1.00 0.00 N ATOM 1177 CA HIS A 82 0.482 -0.481 -9.469 1.00 0.00 C ATOM 1178 C HIS A 82 -0.585 0.075 -10.406 1.00 0.00 C ATOM 1179 O HIS A 82 -1.606 0.530 -9.915 1.00 0.00 O ATOM 1180 CB HIS A 82 1.645 0.494 -9.240 1.00 0.00 C ATOM 1181 CG HIS A 82 1.314 1.625 -8.299 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.635 2.949 -8.475 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.693 1.515 -7.085 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.203 3.618 -7.396 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.622 2.789 -6.520 1.00 0.00 N ATOM 0 H HIS A 82 1.999 -1.779 -10.077 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.004 -0.630 -8.505 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.497 -0.058 -8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.953 0.910 -10.199 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.115 3.351 -9.280 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.323 0.602 -6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.310 4.683 -7.253 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.429 -0.005 -11.732 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.441 0.487 -12.668 1.00 0.00 C ATOM 1195 C ALA A 83 -2.822 -0.141 -12.421 1.00 0.00 C ATOM 1196 O ALA A 83 -3.827 0.546 -12.617 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.986 0.270 -14.118 1.00 0.00 C ATOM 0 H ALA A 83 0.393 -0.408 -12.181 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.549 1.558 -12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.751 0.642 -14.799 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.054 0.808 -14.291 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.829 -0.794 -14.295 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.888 -1.397 -11.962 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.150 -2.069 -11.662 1.00 0.00 C ATOM 1205 C ASP A 84 -4.678 -1.646 -10.304 1.00 0.00 C ATOM 1206 O ASP A 84 -5.822 -1.246 -10.180 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.025 -3.597 -11.738 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.417 -4.177 -11.937 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -5.969 -3.945 -13.041 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.932 -4.846 -11.012 1.00 0.00 O ATOM 0 H ASP A 84 -2.064 -1.973 -11.789 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.864 -1.762 -12.427 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.372 -3.885 -12.562 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.577 -3.988 -10.824 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.848 -1.649 -9.274 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.213 -1.219 -7.925 1.00 0.00 C ATOM 1217 C VAL A 85 -4.688 0.232 -7.931 1.00 0.00 C ATOM 1218 O VAL A 85 -5.724 0.561 -7.351 1.00 0.00 O ATOM 1219 CB VAL A 85 -2.989 -1.509 -7.037 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -2.893 -0.692 -5.744 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.028 -3.005 -6.729 1.00 0.00 C ATOM 0 H VAL A 85 -2.878 -1.957 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.066 -1.763 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.098 -1.206 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.994 -0.978 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.847 0.370 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.770 -0.885 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.179 -3.269 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.955 -3.245 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.978 -3.570 -7.660 1.00 0.00 H new ATOM 1231 N VAL A 86 -4.003 1.101 -8.659 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.439 2.461 -8.871 1.00 0.00 C ATOM 1233 C VAL A 86 -5.776 2.454 -9.620 1.00 0.00 C ATOM 1234 O VAL A 86 -6.683 3.167 -9.188 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.311 3.250 -9.561 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.781 4.668 -9.907 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.080 3.330 -8.632 1.00 0.00 C ATOM 0 H VAL A 86 -3.122 0.874 -9.121 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.632 2.978 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.041 2.732 -10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.971 5.211 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.637 4.614 -10.579 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.069 5.189 -8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.286 3.890 -9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.356 3.834 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.728 2.323 -8.407 1.00 0.00 H new ATOM 1247 N LYS A 87 -5.964 1.646 -10.680 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.273 1.622 -11.351 1.00 0.00 C ATOM 1249 C LYS A 87 -8.366 1.168 -10.403 1.00 0.00 C ATOM 1250 O LYS A 87 -9.470 1.708 -10.438 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.260 0.869 -12.699 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.740 -0.592 -12.773 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.266 -0.786 -12.754 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.683 -1.969 -13.636 1.00 0.00 C ATOM 1255 NZ LYS A 87 -9.562 -1.657 -15.076 1.00 0.00 N ATOM 0 H LYS A 87 -5.258 1.026 -11.076 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.509 2.649 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.868 1.445 -13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.236 0.893 -13.073 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.345 -1.041 -13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.310 -1.141 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.601 -0.955 -11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.756 0.123 -13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.063 -2.834 -13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.713 -2.244 -13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.082 -2.367 -15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.960 -0.714 -15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.559 -1.670 -15.351 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.067 0.209 -9.540 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.981 -0.354 -8.567 1.00 0.00 C ATOM 1271 C LEU A 88 -9.431 0.762 -7.628 1.00 0.00 C ATOM 1272 O LEU A 88 -10.636 0.971 -7.495 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.306 -1.547 -7.857 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.255 -2.825 -8.725 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.266 -3.837 -8.132 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.632 -3.481 -8.866 1.00 0.00 C ATOM 0 H LEU A 88 -7.140 -0.214 -9.500 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.879 -0.757 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.291 -1.267 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.844 -1.764 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.922 -2.522 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.242 -4.731 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.271 -3.394 -8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.581 -4.106 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.548 -4.375 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.007 -3.755 -7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.323 -2.780 -9.335 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.494 1.531 -7.064 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.792 2.632 -6.148 1.00 0.00 C ATOM 1290 C PHE A 89 -9.567 3.763 -6.834 1.00 0.00 C ATOM 1291 O PHE A 89 -10.461 4.372 -6.231 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.488 3.209 -5.578 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.810 2.413 -4.479 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.474 2.186 -3.260 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.474 1.991 -4.622 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.786 1.633 -2.169 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.800 1.395 -3.544 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.439 1.261 -2.302 1.00 0.00 C ATOM 0 H PHE A 89 -7.496 1.403 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.413 2.223 -5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.781 3.325 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.698 4.207 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.520 2.439 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.966 2.126 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.293 1.493 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.788 1.039 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.897 0.873 -1.452 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.205 4.084 -8.079 1.00 0.00 N ATOM 1309 CA GLN A 90 -9.846 5.136 -8.855 1.00 0.00 C ATOM 1310 C GLN A 90 -11.292 4.743 -9.186 1.00 0.00 C ATOM 1311 O GLN A 90 -12.170 5.601 -9.191 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.030 5.424 -10.120 1.00 0.00 C ATOM 1313 CG GLN A 90 -7.638 6.014 -9.828 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.584 7.538 -9.786 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -7.741 8.207 -10.800 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -7.300 8.134 -8.638 1.00 0.00 N ATOM 0 H GLN A 90 -8.450 3.613 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.881 6.053 -8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.913 4.500 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.585 6.117 -10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.288 5.626 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.942 5.661 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.169 7.578 -7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.212 9.149 -8.599 1.00 0.00 H new ATOM 1325 N SER A 91 -11.559 3.450 -9.407 1.00 0.00 N ATOM 1326 CA SER A 91 -12.880 2.932 -9.762 1.00 0.00 C ATOM 1327 C SER A 91 -13.898 2.985 -8.612 1.00 0.00 C ATOM 1328 O SER A 91 -15.045 2.591 -8.827 1.00 0.00 O ATOM 1329 CB SER A 91 -12.766 1.482 -10.257 1.00 0.00 C ATOM 1330 OG SER A 91 -11.847 1.345 -11.327 1.00 0.00 O ATOM 0 H SER A 91 -10.847 2.723 -9.342 1.00 0.00 H new ATOM 0 HA SER A 91 -13.251 3.587 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.455 0.843 -9.431 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.747 1.133 -10.578 1.00 0.00 H new ATOM 0 HG SER A 91 -10.978 1.712 -11.061 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.525 3.401 -7.399 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.444 3.420 -6.263 1.00 0.00 C ATOM 1338 C VAL A 92 -15.232 4.739 -6.341 1.00 0.00 C ATOM 1339 O VAL A 92 -14.603 5.806 -6.279 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.676 3.252 -4.937 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.640 3.110 -3.749 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.781 2.008 -4.960 1.00 0.00 C ATOM 0 H VAL A 92 -12.585 3.731 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.143 2.584 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.066 4.148 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -14.068 2.993 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.264 4.001 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.273 2.235 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.255 1.921 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.395 1.121 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.056 2.096 -5.769 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.568 4.712 -6.524 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.392 5.915 -6.499 1.00 0.00 C ATOM 1354 C PRO A 93 -17.299 6.613 -5.138 1.00 0.00 C ATOM 1355 O PRO A 93 -17.054 5.971 -4.112 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.835 5.461 -6.755 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.735 4.019 -7.242 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.410 3.534 -6.669 1.00 0.00 C ATOM 0 HA PRO A 93 -17.055 6.627 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.433 5.526 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -19.318 6.093 -7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.570 3.417 -6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.745 3.963 -8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.559 3.043 -5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.945 2.804 -7.331 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.595 7.915 -5.109 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.776 8.651 -3.860 1.00 0.00 C ATOM 1368 C ILE A 94 -18.931 7.983 -3.108 1.00 0.00 C ATOM 1369 O ILE A 94 -19.927 7.584 -3.719 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.970 10.159 -4.135 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.652 10.718 -4.727 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -18.360 10.938 -2.862 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -16.718 12.190 -5.136 1.00 0.00 C ATOM 0 H ILE A 94 -17.715 8.484 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.891 8.609 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.792 10.284 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.856 10.593 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.378 10.123 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -18.485 11.993 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -19.296 10.543 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.575 10.829 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.754 12.499 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -17.489 12.322 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.959 12.799 -4.265 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.785 7.843 -1.791 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.798 7.261 -0.923 1.00 0.00 C ATOM 1387 C GLY A 95 -19.730 5.735 -0.810 1.00 0.00 C ATOM 1388 O GLY A 95 -20.334 5.209 0.122 1.00 0.00 O ATOM 0 H GLY A 95 -17.945 8.137 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.698 7.692 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.783 7.543 -1.294 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.983 5.016 -1.659 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.704 3.602 -1.390 1.00 0.00 C ATOM 1394 C GLN A 96 -17.501 3.522 -0.448 1.00 0.00 C ATOM 1395 O GLN A 96 -16.750 4.491 -0.296 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.357 2.827 -2.673 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.399 2.878 -3.790 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.788 2.416 -3.390 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.000 1.281 -2.961 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.774 3.261 -3.603 1.00 0.00 N ATOM 0 H GLN A 96 -18.570 5.380 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.598 3.157 -0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.416 3.213 -3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.188 1.783 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.465 3.901 -4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.052 2.262 -4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.576 4.196 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.736 2.981 -3.412 1.00 0.00 H new ATOM 1409 N SER A 97 -17.255 2.347 0.120 1.00 0.00 N ATOM 1410 CA SER A 97 -16.032 2.008 0.809 1.00 0.00 C ATOM 1411 C SER A 97 -15.432 0.741 0.213 1.00 0.00 C ATOM 1412 O SER A 97 -16.104 -0.015 -0.495 1.00 0.00 O ATOM 1413 CB SER A 97 -16.293 1.840 2.309 1.00 0.00 C ATOM 1414 OG SER A 97 -17.602 1.418 2.623 1.00 0.00 O ATOM 0 H SER A 97 -17.930 1.583 0.109 1.00 0.00 H new ATOM 0 HA SER A 97 -15.316 2.820 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.584 1.117 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.099 2.789 2.809 1.00 0.00 H new ATOM 0 HG SER A 97 -17.693 1.331 3.595 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.157 0.519 0.520 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.416 -0.687 0.208 1.00 0.00 C ATOM 1422 C VAL A 98 -12.609 -1.073 1.448 1.00 0.00 C ATOM 1423 O VAL A 98 -12.180 -0.198 2.209 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.541 -0.468 -1.045 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.426 -0.260 -2.277 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.552 0.696 -0.899 1.00 0.00 C ATOM 0 H VAL A 98 -13.592 1.209 1.015 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.084 -1.513 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.941 -1.370 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.798 -0.107 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.052 -1.140 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.059 0.614 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.969 0.795 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.101 1.620 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.882 0.501 -0.061 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.436 -2.376 1.667 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.595 -2.931 2.719 1.00 0.00 C ATOM 1438 C ASN A 99 -10.151 -2.984 2.241 1.00 0.00 C ATOM 1439 O ASN A 99 -9.916 -3.006 1.031 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.065 -4.353 3.068 1.00 0.00 C ATOM 1441 CG ASN A 99 -12.235 -4.529 4.564 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -11.666 -3.809 5.376 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.125 -5.417 4.960 1.00 0.00 N ATOM 0 H ASN A 99 -12.891 -3.092 1.100 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.667 -2.298 3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.011 -4.558 2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.342 -5.078 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.346 -5.510 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.592 -6.011 4.275 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.180 -2.998 3.149 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.764 -2.920 2.806 1.00 0.00 C ATOM 1452 C LEU A 100 -6.961 -3.749 3.814 1.00 0.00 C ATOM 1453 O LEU A 100 -6.858 -3.332 4.973 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.321 -1.442 2.811 1.00 0.00 C ATOM 1455 CG LEU A 100 -8.031 -0.506 1.806 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.860 0.964 2.195 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.541 -0.729 0.373 1.00 0.00 C ATOM 0 H LEU A 100 -9.355 -3.064 4.152 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.587 -3.324 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.473 -1.044 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.250 -1.406 2.613 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.091 -0.755 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.371 1.595 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.287 1.131 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.799 1.215 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.066 -0.051 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.470 -0.535 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.738 -1.759 0.077 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.399 -4.891 3.404 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.503 -5.698 4.241 1.00 0.00 C ATOM 1471 C VAL A 101 -4.102 -5.183 3.997 1.00 0.00 C ATOM 1472 O VAL A 101 -3.633 -5.246 2.848 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.513 -7.201 3.894 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.681 -8.053 4.867 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.937 -7.780 3.893 1.00 0.00 C ATOM 0 H VAL A 101 -6.554 -5.285 2.476 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.837 -5.607 5.274 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.073 -7.252 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.730 -9.100 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.644 -7.718 4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.079 -7.946 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.898 -8.840 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.381 -7.655 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.543 -7.255 3.154 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.431 -4.727 5.054 1.00 0.00 N ATOM 1486 CA LEU A 102 -2.017 -4.395 4.988 1.00 0.00 C ATOM 1487 C LEU A 102 -1.206 -5.300 5.904 1.00 0.00 C ATOM 1488 O LEU A 102 -1.757 -5.903 6.826 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.724 -2.925 5.326 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.461 -1.841 4.527 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.760 -0.494 4.681 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.476 -2.062 3.031 1.00 0.00 C ATOM 0 H LEU A 102 -3.852 -4.580 5.971 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.720 -4.555 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.950 -2.774 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.653 -2.761 5.203 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.474 -1.874 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.296 0.263 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.745 -0.210 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.737 -0.572 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.018 -1.248 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.453 -2.089 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.969 -3.008 2.808 1.00 0.00 H new ATOM 1504 N CYS A 103 0.112 -5.333 5.695 1.00 0.00 N ATOM 1505 CA CYS A 103 1.089 -5.933 6.600 1.00 0.00 C ATOM 1506 C CYS A 103 2.025 -4.833 7.105 1.00 0.00 C ATOM 1507 O CYS A 103 2.601 -4.081 6.307 1.00 0.00 O ATOM 1508 CB CYS A 103 1.882 -7.026 5.876 1.00 0.00 C ATOM 1509 SG CYS A 103 2.910 -7.976 7.036 1.00 0.00 S ATOM 0 H CYS A 103 0.541 -4.929 4.862 1.00 0.00 H new ATOM 0 HA CYS A 103 0.578 -6.395 7.445 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.194 -7.698 5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.515 -6.574 5.113 1.00 0.00 H new ATOM 0 HG CYS A 103 2.351 -9.126 7.269 1.00 0.00 H new ATOM 1515 N ARG A 104 2.154 -4.734 8.428 1.00 0.00 N ATOM 1516 CA ARG A 104 3.191 -3.979 9.123 1.00 0.00 C ATOM 1517 C ARG A 104 4.518 -4.735 9.090 1.00 0.00 C ATOM 1518 O ARG A 104 4.507 -5.960 8.976 1.00 0.00 O ATOM 1519 CB ARG A 104 2.766 -3.751 10.581 1.00 0.00 C ATOM 1520 CG ARG A 104 3.419 -2.491 11.178 1.00 0.00 C ATOM 1521 CD ARG A 104 2.384 -1.585 11.844 1.00 0.00 C ATOM 1522 NE ARG A 104 1.455 -0.963 10.882 1.00 0.00 N ATOM 1523 CZ ARG A 104 0.447 -0.161 11.239 1.00 0.00 C ATOM 1524 NH1 ARG A 104 0.252 0.102 12.522 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.337 0.389 10.328 1.00 0.00 N ATOM 0 H ARG A 104 1.511 -5.198 9.069 1.00 0.00 H new ATOM 0 HA ARG A 104 3.323 -3.020 8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.681 -3.657 10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.040 -4.620 11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.173 -2.783 11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.934 -1.940 10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.813 -2.167 12.567 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.900 -0.802 12.400 1.00 0.00 H new ATOM 0 HE ARG A 104 1.589 -1.155 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.868 -0.306 13.226 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.514 0.713 12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.177 0.203 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.102 0.999 10.615 1.00 0.00 H new ATOM 1539 N GLY A 105 5.645 -4.040 9.239 1.00 0.00 N ATOM 1540 CA GLY A 105 6.927 -4.608 9.649 1.00 0.00 C ATOM 1541 C GLY A 105 8.037 -4.410 8.621 1.00 0.00 C ATOM 1542 O GLY A 105 9.214 -4.461 8.982 1.00 0.00 O ATOM 0 H GLY A 105 5.692 -3.035 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.231 -4.155 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.800 -5.675 9.834 1.00 0.00 H new ATOM 1546 N TYR A 106 7.693 -4.185 7.353 1.00 0.00 N ATOM 1547 CA TYR A 106 8.673 -3.886 6.320 1.00 0.00 C ATOM 1548 C TYR A 106 9.146 -2.431 6.454 1.00 0.00 C ATOM 1549 O TYR A 106 8.455 -1.601 7.066 1.00 0.00 O ATOM 1550 CB TYR A 106 8.063 -4.175 4.941 1.00 0.00 C ATOM 1551 CG TYR A 106 8.044 -5.656 4.615 1.00 0.00 C ATOM 1552 CD1 TYR A 106 9.212 -6.258 4.107 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.892 -6.438 4.829 1.00 0.00 C ATOM 1554 CE1 TYR A 106 9.220 -7.617 3.758 1.00 0.00 C ATOM 1555 CE2 TYR A 106 6.905 -7.803 4.496 1.00 0.00 C ATOM 1556 CZ TYR A 106 8.057 -8.395 3.932 1.00 0.00 C ATOM 1557 OH TYR A 106 8.052 -9.701 3.549 1.00 0.00 O ATOM 0 H TYR A 106 6.730 -4.206 7.018 1.00 0.00 H new ATOM 0 HA TYR A 106 9.550 -4.523 6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.045 -3.786 4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.632 -3.645 4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.109 -5.669 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.003 -5.990 5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 106 10.116 -8.067 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.026 -8.405 4.673 1.00 0.00 H new ATOM 0 HH TYR A 106 8.956 -10.070 3.633 1.00 0.00 H new ATOM 1567 N PRO A 107 10.316 -2.094 5.886 1.00 0.00 N ATOM 1568 CA PRO A 107 10.803 -0.727 5.830 1.00 0.00 C ATOM 1569 C PRO A 107 10.030 0.108 4.815 1.00 0.00 C ATOM 1570 O PRO A 107 9.142 -0.369 4.104 1.00 0.00 O ATOM 1571 CB PRO A 107 12.290 -0.831 5.482 1.00 0.00 C ATOM 1572 CG PRO A 107 12.363 -2.112 4.663 1.00 0.00 C ATOM 1573 CD PRO A 107 11.310 -2.998 5.322 1.00 0.00 C ATOM 0 HA PRO A 107 10.659 -0.213 6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.632 0.032 4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.910 -0.888 6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.139 -1.933 3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.354 -2.563 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.856 -3.671 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.755 -3.621 6.098 1.00 0.00 H new ATOM 1581 N LEU A 108 10.401 1.384 4.736 1.00 0.00 N ATOM 1582 CA LEU A 108 10.024 2.241 3.620 1.00 0.00 C ATOM 1583 C LEU A 108 10.821 1.774 2.387 1.00 0.00 C ATOM 1584 O LEU A 108 11.935 1.262 2.527 1.00 0.00 O ATOM 1585 CB LEU A 108 10.316 3.711 3.985 1.00 0.00 C ATOM 1586 CG LEU A 108 9.370 4.246 5.083 1.00 0.00 C ATOM 1587 CD1 LEU A 108 9.930 5.480 5.789 1.00 0.00 C ATOM 1588 CD2 LEU A 108 8.002 4.609 4.515 1.00 0.00 C ATOM 0 H LEU A 108 10.970 1.850 5.443 1.00 0.00 H new ATOM 0 HA LEU A 108 8.959 2.173 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.348 3.800 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.219 4.330 3.093 1.00 0.00 H new ATOM 0 HG LEU A 108 9.275 3.434 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.226 5.814 6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.881 5.230 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.083 6.277 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.363 4.982 5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.117 5.381 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.547 3.725 4.069 1.00 0.00 H new ATOM 1600 N PRO A 109 10.306 1.960 1.161 1.00 0.00 N ATOM 1601 CA PRO A 109 11.063 1.643 -0.047 1.00 0.00 C ATOM 1602 C PRO A 109 12.046 2.759 -0.399 1.00 0.00 C ATOM 1603 O PRO A 109 13.034 2.528 -1.092 1.00 0.00 O ATOM 1604 CB PRO A 109 9.994 1.523 -1.127 1.00 0.00 C ATOM 1605 CG PRO A 109 8.902 2.495 -0.698 1.00 0.00 C ATOM 1606 CD PRO A 109 8.995 2.504 0.826 1.00 0.00 C ATOM 0 HA PRO A 109 11.662 0.740 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.391 1.782 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.613 0.504 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.066 3.489 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.919 2.166 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.883 3.516 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.200 1.902 1.267 1.00 0.00 H new