USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 747 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 106 SER OG : rot 170:sc= -0.286 USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.495! C(o=-0.78!,f=-4.3!) USER MOD Set 2.1: A 96 GLN : amide:sc= -0.0604 X(o=-0.76,f=-0.32) USER MOD Set 2.2: A 99 MET CE :methyl -142:sc= -0.703 (180deg=-0.13) USER MOD Set 3.1: A 74 THR OG1 : rot -108:sc= -0.732! USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc= 0.979 USER MOD Set 4.1: A 61 HIS : no HE2:sc= -4.79! C(o=-5.3!,f=-12!) USER MOD Set 4.2: A 82 THR OG1 : rot 10:sc= -0.546 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0.952) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0315 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 98:sc= -0.172! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -35:sc= 0.0608 USER MOD Single : A 51 GLN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 58 GLN : amide:sc= -2.7! K(o=-2.7!,f=-2.1) USER MOD Single : A 60 HIS : no HE2:sc= -5! C(o=-5!,f=-8.3!) USER MOD Single : A 62 CYS SG : rot -160:sc= -0.88 USER MOD Single : A 65 THR OG1 : rot 84:sc= -3.61! USER MOD Single : A 66 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-3.3!) USER MOD Single : A 67 MET CE :methyl -132:sc= 0 (180deg=-0.0848) USER MOD Single : A 72 THR OG1 : rot 38:sc= 0.301 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0588 USER MOD Single : A 87 GLN : amide:sc=-0.000575 X(o=-0.00057,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 71:sc= 0.548 USER MOD Single : A 94 MET CE :methyl -126:sc= -0.158 (180deg=-0.795) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 102 GLN : amide:sc= -1.03 X(o=-1,f=-0.99) USER MOD Single : A 105 THR OG1 : rot -61:sc= 1.07 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= -1.18 USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 10 0.400 -11.418 8.736 1.00 0.00 N ATOM 96 CA LYS A 10 0.782 -11.423 7.335 1.00 0.00 C ATOM 97 C LYS A 10 -0.174 -10.526 6.546 1.00 0.00 C ATOM 98 O LYS A 10 -0.661 -10.912 5.485 1.00 0.00 O ATOM 99 CB LYS A 10 0.858 -12.856 6.805 1.00 0.00 C ATOM 100 CG LYS A 10 -0.537 -13.475 6.696 1.00 0.00 C ATOM 101 CD LYS A 10 -0.693 -14.246 5.383 1.00 0.00 C ATOM 102 CE LYS A 10 -2.089 -14.041 4.790 1.00 0.00 C ATOM 103 NZ LYS A 10 -2.138 -12.790 4.001 1.00 0.00 N ATOM 0 HA LYS A 10 1.783 -11.009 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.339 -12.861 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.477 -13.460 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.708 -14.145 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.292 -12.691 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.061 -13.914 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.520 -15.308 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.349 -14.888 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.828 -14.003 5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.126 -12.568 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.733 -12.011 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.589 -12.910 3.126 1.00 0.00 H new ATOM 117 N LEU A 11 -0.415 -9.344 7.096 1.00 0.00 N ATOM 118 CA LEU A 11 -1.304 -8.389 6.458 1.00 0.00 C ATOM 119 C LEU A 11 -0.522 -7.120 6.115 1.00 0.00 C ATOM 120 O LEU A 11 0.275 -6.642 6.920 1.00 0.00 O ATOM 121 CB LEU A 11 -2.535 -8.136 7.331 1.00 0.00 C ATOM 122 CG LEU A 11 -3.588 -9.245 7.344 1.00 0.00 C ATOM 123 CD1 LEU A 11 -4.808 -8.833 8.171 1.00 0.00 C ATOM 124 CD2 LEU A 11 -3.972 -9.653 5.920 1.00 0.00 C ATOM 0 H LEU A 11 -0.010 -9.027 7.977 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.685 -8.792 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.201 -7.967 8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.011 -7.215 6.995 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.155 -10.122 7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.542 -9.639 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.501 -8.631 9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.252 -7.935 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.722 -10.443 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.379 -8.791 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.089 -10.016 5.395 1.00 0.00 H new ATOM 136 N PRO A 12 -0.784 -6.598 4.887 1.00 0.00 N ATOM 137 CA PRO A 12 -0.113 -5.393 4.427 1.00 0.00 C ATOM 138 C PRO A 12 -0.683 -4.152 5.115 1.00 0.00 C ATOM 139 O PRO A 12 -1.893 -4.049 5.315 1.00 0.00 O ATOM 140 CB PRO A 12 -0.313 -5.382 2.920 1.00 0.00 C ATOM 141 CG PRO A 12 -1.475 -6.323 2.647 1.00 0.00 C ATOM 142 CD PRO A 12 -1.721 -7.137 3.907 1.00 0.00 C ATOM 0 HA PRO A 12 0.949 -5.382 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.533 -4.376 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.588 -5.714 2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.368 -5.759 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.246 -6.979 1.807 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.751 -7.037 4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.545 -8.198 3.733 1.00 0.00 H new ATOM 150 N TYR A 13 0.214 -3.240 5.459 1.00 0.00 N ATOM 151 CA TYR A 13 -0.185 -2.009 6.120 1.00 0.00 C ATOM 152 C TYR A 13 0.669 -0.831 5.647 1.00 0.00 C ATOM 153 O TYR A 13 1.716 -1.025 5.032 1.00 0.00 O ATOM 154 CB TYR A 13 0.061 -2.234 7.614 1.00 0.00 C ATOM 155 CG TYR A 13 1.520 -2.535 7.966 1.00 0.00 C ATOM 156 CD1 TYR A 13 2.405 -1.498 8.183 1.00 0.00 C ATOM 157 CD2 TYR A 13 1.950 -3.842 8.065 1.00 0.00 C ATOM 158 CE1 TYR A 13 3.777 -1.782 8.515 1.00 0.00 C ATOM 159 CE2 TYR A 13 3.323 -4.125 8.396 1.00 0.00 C ATOM 160 CZ TYR A 13 4.168 -3.081 8.605 1.00 0.00 C ATOM 161 OH TYR A 13 5.465 -3.348 8.918 1.00 0.00 O ATOM 0 H TYR A 13 1.216 -3.329 5.292 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.226 -1.774 5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.259 -1.348 8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.562 -3.061 7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.069 -0.475 8.104 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.257 -4.653 7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.480 -0.981 8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.673 -5.144 8.476 1.00 0.00 H new ATOM 0 HH TYR A 13 5.601 -4.318 8.949 1.00 0.00 H new ATOM 171 N LEU A 14 0.189 0.366 5.952 1.00 0.00 N ATOM 172 CA LEU A 14 0.895 1.576 5.565 1.00 0.00 C ATOM 173 C LEU A 14 1.407 2.286 6.820 1.00 0.00 C ATOM 174 O LEU A 14 0.652 2.502 7.767 1.00 0.00 O ATOM 175 CB LEU A 14 0.008 2.454 4.681 1.00 0.00 C ATOM 176 CG LEU A 14 -0.954 1.714 3.749 1.00 0.00 C ATOM 177 CD1 LEU A 14 -0.329 0.414 3.238 1.00 0.00 C ATOM 178 CD2 LEU A 14 -2.302 1.473 4.432 1.00 0.00 C ATOM 0 H LEU A 14 -0.680 0.524 6.462 1.00 0.00 H new ATOM 0 HA LEU A 14 1.767 1.331 4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.576 3.111 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.651 3.091 4.075 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.142 2.344 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.033 -0.093 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.585 0.641 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.093 -0.233 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.967 0.946 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.153 0.872 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.747 2.429 4.706 1.00 0.00 H new ATOM 190 N VAL A 15 2.686 2.628 6.787 1.00 0.00 N ATOM 191 CA VAL A 15 3.308 3.309 7.910 1.00 0.00 C ATOM 192 C VAL A 15 3.631 4.751 7.512 1.00 0.00 C ATOM 193 O VAL A 15 4.401 4.984 6.581 1.00 0.00 O ATOM 194 CB VAL A 15 4.538 2.529 8.379 1.00 0.00 C ATOM 195 CG1 VAL A 15 5.651 2.578 7.331 1.00 0.00 C ATOM 196 CG2 VAL A 15 5.034 3.048 9.731 1.00 0.00 C ATOM 0 H VAL A 15 3.309 2.446 6.000 1.00 0.00 H new ATOM 0 HA VAL A 15 2.623 3.351 8.757 1.00 0.00 H new ATOM 0 HB VAL A 15 4.245 1.487 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.513 2.016 7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.293 2.139 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.941 3.614 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.909 2.477 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.302 4.101 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.245 2.937 10.475 1.00 0.00 H new ATOM 206 N GLU A 16 3.026 5.680 8.237 1.00 0.00 N ATOM 207 CA GLU A 16 3.239 7.093 7.971 1.00 0.00 C ATOM 208 C GLU A 16 4.737 7.400 7.903 1.00 0.00 C ATOM 209 O GLU A 16 5.491 7.029 8.801 1.00 0.00 O ATOM 210 CB GLU A 16 2.549 7.960 9.025 1.00 0.00 C ATOM 211 CG GLU A 16 2.843 9.443 8.794 1.00 0.00 C ATOM 212 CD GLU A 16 2.692 10.241 10.091 1.00 0.00 C ATOM 213 OE1 GLU A 16 3.425 9.912 11.049 1.00 0.00 O ATOM 214 OE2 GLU A 16 1.847 11.162 10.095 1.00 0.00 O ATOM 0 H GLU A 16 2.388 5.482 9.008 1.00 0.00 H new ATOM 0 HA GLU A 16 2.794 7.332 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.473 7.790 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.888 7.669 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.855 9.561 8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.164 9.839 8.038 1.00 0.00 H new ATOM 221 N LEU A 17 5.122 8.074 6.830 1.00 0.00 N ATOM 222 CA LEU A 17 6.516 8.435 6.633 1.00 0.00 C ATOM 223 C LEU A 17 6.643 9.960 6.598 1.00 0.00 C ATOM 224 O LEU A 17 5.654 10.664 6.404 1.00 0.00 O ATOM 225 CB LEU A 17 7.079 7.742 5.391 1.00 0.00 C ATOM 226 CG LEU A 17 7.247 6.224 5.488 1.00 0.00 C ATOM 227 CD1 LEU A 17 8.235 5.714 4.437 1.00 0.00 C ATOM 228 CD2 LEU A 17 7.649 5.807 6.903 1.00 0.00 C ATOM 0 H LEU A 17 4.493 8.380 6.087 1.00 0.00 H new ATOM 0 HA LEU A 17 7.122 8.083 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.424 7.962 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.050 8.181 5.163 1.00 0.00 H new ATOM 0 HG LEU A 17 6.284 5.759 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.336 4.633 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.867 5.962 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.206 6.184 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.762 4.724 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.594 6.281 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.878 6.119 7.607 1.00 0.00 H new ATOM 240 N SER A 18 7.870 10.424 6.787 1.00 0.00 N ATOM 241 CA SER A 18 8.139 11.851 6.779 1.00 0.00 C ATOM 242 C SER A 18 7.662 12.467 5.462 1.00 0.00 C ATOM 243 O SER A 18 7.300 11.748 4.532 1.00 0.00 O ATOM 244 CB SER A 18 9.629 12.132 6.987 1.00 0.00 C ATOM 245 OG SER A 18 9.887 12.732 8.253 1.00 0.00 O ATOM 0 H SER A 18 8.688 9.836 6.947 1.00 0.00 H new ATOM 0 HA SER A 18 7.592 12.306 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.188 11.200 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.988 12.789 6.195 1.00 0.00 H new ATOM 0 HG SER A 18 10.849 12.894 8.348 1.00 0.00 H new ATOM 251 N PRO A 19 7.677 13.826 5.424 1.00 0.00 N ATOM 252 CA PRO A 19 7.250 14.546 4.237 1.00 0.00 C ATOM 253 C PRO A 19 8.311 14.470 3.138 1.00 0.00 C ATOM 254 O PRO A 19 8.120 15.004 2.047 1.00 0.00 O ATOM 255 CB PRO A 19 6.987 15.967 4.711 1.00 0.00 C ATOM 256 CG PRO A 19 7.718 16.105 6.037 1.00 0.00 C ATOM 257 CD PRO A 19 8.099 14.710 6.507 1.00 0.00 C ATOM 0 HA PRO A 19 6.354 14.119 3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.352 16.695 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.919 16.147 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.607 16.724 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.082 16.596 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.171 14.632 6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.599 14.457 7.442 1.00 0.00 H new ATOM 265 N ASP A 20 9.407 13.800 3.464 1.00 0.00 N ATOM 266 CA ASP A 20 10.499 13.646 2.518 1.00 0.00 C ATOM 267 C ASP A 20 10.621 12.174 2.121 1.00 0.00 C ATOM 268 O ASP A 20 11.269 11.846 1.128 1.00 0.00 O ATOM 269 CB ASP A 20 11.829 14.080 3.137 1.00 0.00 C ATOM 270 CG ASP A 20 12.886 14.551 2.135 1.00 0.00 C ATOM 271 OD1 ASP A 20 12.616 14.419 0.922 1.00 0.00 O ATOM 272 OD2 ASP A 20 13.940 15.031 2.605 1.00 0.00 O ATOM 0 H ASP A 20 9.562 13.358 4.370 1.00 0.00 H new ATOM 0 HA ASP A 20 10.284 14.270 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.637 14.886 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.237 13.245 3.707 1.00 0.00 H new ATOM 277 N GLY A 21 9.987 11.325 2.916 1.00 0.00 N ATOM 278 CA GLY A 21 10.016 9.895 2.660 1.00 0.00 C ATOM 279 C GLY A 21 11.005 9.191 3.591 1.00 0.00 C ATOM 280 O GLY A 21 11.812 8.378 3.145 1.00 0.00 O ATOM 0 H GLY A 21 9.450 11.600 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.019 9.477 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.296 9.713 1.622 1.00 0.00 H new ATOM 284 N SER A 22 10.909 9.530 4.869 1.00 0.00 N ATOM 285 CA SER A 22 11.785 8.941 5.867 1.00 0.00 C ATOM 286 C SER A 22 10.954 8.270 6.962 1.00 0.00 C ATOM 287 O SER A 22 9.764 8.549 7.102 1.00 0.00 O ATOM 288 CB SER A 22 12.714 9.994 6.475 1.00 0.00 C ATOM 289 OG SER A 22 13.353 9.522 7.658 1.00 0.00 O ATOM 0 H SER A 22 10.238 10.205 5.236 1.00 0.00 H new ATOM 0 HA SER A 22 12.404 8.189 5.378 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.470 10.277 5.743 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.142 10.893 6.706 1.00 0.00 H new ATOM 0 HG SER A 22 13.939 10.222 8.015 1.00 0.00 H new ATOM 376 N PRO A 28 5.405 5.871 14.431 1.00 0.00 N ATOM 377 CA PRO A 28 4.449 6.447 13.500 1.00 0.00 C ATOM 378 C PRO A 28 3.152 5.635 13.473 1.00 0.00 C ATOM 379 O PRO A 28 3.115 4.502 13.951 1.00 0.00 O ATOM 380 CB PRO A 28 5.166 6.465 12.160 1.00 0.00 C ATOM 381 CG PRO A 28 6.316 5.479 12.289 1.00 0.00 C ATOM 382 CD PRO A 28 6.490 5.157 13.765 1.00 0.00 C ATOM 0 HA PRO A 28 4.139 7.453 13.784 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.493 6.176 11.353 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.533 7.465 11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.106 4.572 11.722 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.232 5.905 11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.428 4.084 13.946 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.463 5.486 14.130 1.00 0.00 H new ATOM 390 N LYS A 29 2.120 6.246 12.910 1.00 0.00 N ATOM 391 CA LYS A 29 0.826 5.593 12.814 1.00 0.00 C ATOM 392 C LYS A 29 0.928 4.402 11.860 1.00 0.00 C ATOM 393 O LYS A 29 1.760 4.398 10.954 1.00 0.00 O ATOM 394 CB LYS A 29 -0.255 6.603 12.424 1.00 0.00 C ATOM 395 CG LYS A 29 -1.365 6.653 13.476 1.00 0.00 C ATOM 396 CD LYS A 29 -2.509 5.704 13.113 1.00 0.00 C ATOM 397 CE LYS A 29 -3.748 5.989 13.962 1.00 0.00 C ATOM 398 NZ LYS A 29 -4.571 4.767 14.105 1.00 0.00 N ATOM 0 H LYS A 29 2.154 7.186 12.516 1.00 0.00 H new ATOM 0 HA LYS A 29 0.526 5.198 13.785 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.190 7.592 12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.678 6.333 11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.959 6.383 14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.745 7.671 13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.755 5.813 12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.191 4.672 13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.447 6.349 14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.338 6.780 13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.408 4.978 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.874 4.440 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.010 4.023 14.566 1.00 0.00 H new ATOM 412 N LEU A 30 0.071 3.420 12.095 1.00 0.00 N ATOM 413 CA LEU A 30 0.054 2.226 11.268 1.00 0.00 C ATOM 414 C LEU A 30 -1.380 1.941 10.819 1.00 0.00 C ATOM 415 O LEU A 30 -2.332 2.275 11.523 1.00 0.00 O ATOM 416 CB LEU A 30 0.713 1.056 12.002 1.00 0.00 C ATOM 417 CG LEU A 30 1.636 0.171 11.161 1.00 0.00 C ATOM 418 CD1 LEU A 30 0.914 -1.100 10.710 1.00 0.00 C ATOM 419 CD2 LEU A 30 2.217 0.951 9.980 1.00 0.00 C ATOM 0 H LEU A 30 -0.618 3.427 12.847 1.00 0.00 H new ATOM 0 HA LEU A 30 0.646 2.380 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.287 1.455 12.838 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.072 0.429 12.425 1.00 0.00 H new ATOM 0 HG LEU A 30 2.474 -0.139 11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.592 -1.711 10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.590 -1.664 11.585 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.045 -0.831 10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.869 0.299 9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.406 1.310 9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.791 1.800 10.352 1.00 0.00 H new ATOM 431 N TYR A 31 -1.490 1.327 9.650 1.00 0.00 N ATOM 432 CA TYR A 31 -2.793 0.993 9.100 1.00 0.00 C ATOM 433 C TYR A 31 -2.748 -0.345 8.359 1.00 0.00 C ATOM 434 O TYR A 31 -2.121 -0.456 7.307 1.00 0.00 O ATOM 435 CB TYR A 31 -3.125 2.104 8.101 1.00 0.00 C ATOM 436 CG TYR A 31 -3.366 3.470 8.747 1.00 0.00 C ATOM 437 CD1 TYR A 31 -4.513 3.693 9.482 1.00 0.00 C ATOM 438 CD2 TYR A 31 -2.437 4.478 8.596 1.00 0.00 C ATOM 439 CE1 TYR A 31 -4.740 4.978 10.090 1.00 0.00 C ATOM 440 CE2 TYR A 31 -2.663 5.764 9.204 1.00 0.00 C ATOM 441 CZ TYR A 31 -3.804 5.950 9.921 1.00 0.00 C ATOM 442 OH TYR A 31 -4.018 7.164 10.496 1.00 0.00 O ATOM 0 H TYR A 31 -0.698 1.052 9.069 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.535 0.908 9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.308 2.191 7.385 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.013 1.818 7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.240 2.903 9.601 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.539 4.303 8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.633 5.166 10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.944 6.562 9.093 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.267 7.759 10.293 1.00 0.00 H new ATOM 452 N ARG A 32 -3.422 -1.328 8.939 1.00 0.00 N ATOM 453 CA ARG A 32 -3.468 -2.654 8.347 1.00 0.00 C ATOM 454 C ARG A 32 -4.626 -2.752 7.352 1.00 0.00 C ATOM 455 O ARG A 32 -5.702 -2.206 7.591 1.00 0.00 O ATOM 456 CB ARG A 32 -3.635 -3.731 9.421 1.00 0.00 C ATOM 457 CG ARG A 32 -2.621 -3.540 10.551 1.00 0.00 C ATOM 458 CD ARG A 32 -1.750 -4.787 10.722 1.00 0.00 C ATOM 459 NE ARG A 32 -2.037 -5.430 12.023 1.00 0.00 N ATOM 460 CZ ARG A 32 -1.488 -5.051 13.186 1.00 0.00 C ATOM 461 NH1 ARG A 32 -0.620 -4.031 13.216 1.00 0.00 N ATOM 462 NH2 ARG A 32 -1.807 -5.693 14.318 1.00 0.00 N ATOM 0 H ARG A 32 -3.940 -1.232 9.812 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.524 -2.818 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.647 -3.693 9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.507 -4.717 8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.990 -2.678 10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.145 -3.327 11.483 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.942 -5.489 9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.696 -4.515 10.666 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.694 -6.210 12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.377 -3.543 12.354 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.202 -3.743 14.101 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.467 -6.470 14.295 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.389 -5.405 15.203 1.00 0.00 H new ATOM 476 N LEU A 33 -4.367 -3.452 6.258 1.00 0.00 N ATOM 477 CA LEU A 33 -5.374 -3.629 5.226 1.00 0.00 C ATOM 478 C LEU A 33 -6.033 -5.000 5.391 1.00 0.00 C ATOM 479 O LEU A 33 -5.674 -5.952 4.700 1.00 0.00 O ATOM 480 CB LEU A 33 -4.767 -3.401 3.840 1.00 0.00 C ATOM 481 CG LEU A 33 -4.047 -2.067 3.633 1.00 0.00 C ATOM 482 CD1 LEU A 33 -3.450 -1.978 2.228 1.00 0.00 C ATOM 483 CD2 LEU A 33 -4.976 -0.890 3.937 1.00 0.00 C ATOM 0 H LEU A 33 -3.473 -3.904 6.064 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.161 -2.882 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.062 -4.207 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.563 -3.480 3.099 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.218 -2.013 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.944 -1.020 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.734 -2.787 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.246 -2.063 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.440 0.046 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.840 -0.927 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.311 -0.949 4.972 1.00 0.00 H new ATOM 495 N GLN A 34 -6.985 -5.056 6.311 1.00 0.00 N ATOM 496 CA GLN A 34 -7.697 -6.295 6.576 1.00 0.00 C ATOM 497 C GLN A 34 -8.390 -6.791 5.305 1.00 0.00 C ATOM 498 O GLN A 34 -8.648 -6.011 4.390 1.00 0.00 O ATOM 499 CB GLN A 34 -8.703 -6.116 7.715 1.00 0.00 C ATOM 500 CG GLN A 34 -7.991 -5.782 9.027 1.00 0.00 C ATOM 501 CD GLN A 34 -8.581 -6.584 10.190 1.00 0.00 C ATOM 502 OE1 GLN A 34 -9.376 -6.095 10.975 1.00 0.00 O ATOM 503 NE2 GLN A 34 -8.148 -7.840 10.255 1.00 0.00 N ATOM 0 H GLN A 34 -7.280 -4.264 6.882 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.973 -7.048 6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.404 -5.320 7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.287 -7.028 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.927 -5.999 8.933 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.081 -4.715 9.233 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.481 -8.186 9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.483 -8.457 10.995 1.00 0.00 H new ATOM 512 N LEU A 35 -8.670 -8.086 5.289 1.00 0.00 N ATOM 513 CA LEU A 35 -9.328 -8.695 4.146 1.00 0.00 C ATOM 514 C LEU A 35 -10.457 -7.782 3.666 1.00 0.00 C ATOM 515 O LEU A 35 -10.883 -6.883 4.390 1.00 0.00 O ATOM 516 CB LEU A 35 -9.787 -10.115 4.486 1.00 0.00 C ATOM 517 CG LEU A 35 -8.890 -11.248 3.986 1.00 0.00 C ATOM 518 CD1 LEU A 35 -9.422 -12.610 4.437 1.00 0.00 C ATOM 519 CD2 LEU A 35 -8.711 -11.177 2.468 1.00 0.00 C ATOM 0 H LEU A 35 -8.453 -8.730 6.049 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.629 -8.801 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.873 -10.198 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.786 -10.261 4.075 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.904 -11.124 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.765 -13.398 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.454 -12.646 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.426 -12.758 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.069 -11.994 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.683 -11.261 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.253 -10.225 2.200 1.00 0.00 H new ATOM 531 N SER A 36 -10.910 -8.043 2.449 1.00 0.00 N ATOM 532 CA SER A 36 -11.982 -7.256 1.864 1.00 0.00 C ATOM 533 C SER A 36 -11.408 -6.004 1.198 1.00 0.00 C ATOM 534 O SER A 36 -10.276 -6.016 0.716 1.00 0.00 O ATOM 535 CB SER A 36 -13.019 -6.868 2.919 1.00 0.00 C ATOM 536 OG SER A 36 -13.061 -7.800 3.995 1.00 0.00 O ATOM 0 H SER A 36 -10.554 -8.789 1.851 1.00 0.00 H new ATOM 0 HA SER A 36 -12.481 -7.865 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.787 -5.876 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.003 -6.806 2.454 1.00 0.00 H new ATOM 0 HG SER A 36 -12.523 -7.463 4.741 1.00 0.00 H new ATOM 542 N VAL A 37 -12.214 -4.953 1.192 1.00 0.00 N ATOM 543 CA VAL A 37 -11.801 -3.695 0.593 1.00 0.00 C ATOM 544 C VAL A 37 -11.649 -2.639 1.690 1.00 0.00 C ATOM 545 O VAL A 37 -12.248 -2.757 2.758 1.00 0.00 O ATOM 546 CB VAL A 37 -12.790 -3.285 -0.499 1.00 0.00 C ATOM 547 CG1 VAL A 37 -12.375 -1.963 -1.147 1.00 0.00 C ATOM 548 CG2 VAL A 37 -12.935 -4.388 -1.550 1.00 0.00 C ATOM 0 H VAL A 37 -13.152 -4.947 1.593 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.831 -3.803 0.109 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.763 -3.138 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.095 -1.695 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.347 -1.180 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.387 -2.071 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.644 -4.071 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.966 -4.581 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.298 -5.299 -1.074 1.00 0.00 H new ATOM 558 N THR A 38 -10.846 -1.629 1.387 1.00 0.00 N ATOM 559 CA THR A 38 -10.608 -0.553 2.334 1.00 0.00 C ATOM 560 C THR A 38 -10.602 0.798 1.615 1.00 0.00 C ATOM 561 O THR A 38 -9.600 1.181 1.015 1.00 0.00 O ATOM 562 CB THR A 38 -9.303 -0.853 3.074 1.00 0.00 C ATOM 563 OG1 THR A 38 -9.637 -1.932 3.943 1.00 0.00 O ATOM 564 CG2 THR A 38 -8.894 0.276 4.022 1.00 0.00 C ATOM 0 H THR A 38 -10.352 -1.533 0.500 1.00 0.00 H new ATOM 0 HA THR A 38 -11.409 -0.491 3.071 1.00 0.00 H new ATOM 0 HB THR A 38 -8.507 -1.025 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.846 -2.192 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.962 0.012 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.753 1.195 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.675 0.426 4.767 1.00 0.00 H new ATOM 572 N GLU A 39 -11.734 1.482 1.700 1.00 0.00 N ATOM 573 CA GLU A 39 -11.872 2.781 1.065 1.00 0.00 C ATOM 574 C GLU A 39 -11.168 3.856 1.896 1.00 0.00 C ATOM 575 O GLU A 39 -11.533 4.094 3.047 1.00 0.00 O ATOM 576 CB GLU A 39 -13.345 3.133 0.849 1.00 0.00 C ATOM 577 CG GLU A 39 -14.014 2.134 -0.097 1.00 0.00 C ATOM 578 CD GLU A 39 -14.632 0.971 0.681 1.00 0.00 C ATOM 579 OE1 GLU A 39 -14.121 0.693 1.787 1.00 0.00 O ATOM 580 OE2 GLU A 39 -15.602 0.386 0.152 1.00 0.00 O ATOM 0 H GLU A 39 -12.564 1.161 2.199 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.396 2.736 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.866 3.137 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.426 4.139 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.786 2.639 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.280 1.752 -0.807 1.00 0.00 H new ATOM 587 N VAL A 40 -10.172 4.476 1.281 1.00 0.00 N ATOM 588 CA VAL A 40 -9.414 5.520 1.951 1.00 0.00 C ATOM 589 C VAL A 40 -9.964 6.887 1.540 1.00 0.00 C ATOM 590 O VAL A 40 -10.676 7.000 0.544 1.00 0.00 O ATOM 591 CB VAL A 40 -7.922 5.360 1.647 1.00 0.00 C ATOM 592 CG1 VAL A 40 -7.086 6.336 2.477 1.00 0.00 C ATOM 593 CG2 VAL A 40 -7.468 3.917 1.874 1.00 0.00 C ATOM 0 H VAL A 40 -9.872 4.276 0.327 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.523 5.437 3.032 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.767 5.598 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.030 6.202 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.382 7.359 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.249 6.144 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.405 3.831 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.644 3.639 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.031 3.251 1.220 1.00 0.00 H new ATOM 603 N GLY A 41 -9.613 7.892 2.330 1.00 0.00 N ATOM 604 CA GLY A 41 -10.063 9.247 2.061 1.00 0.00 C ATOM 605 C GLY A 41 -10.528 9.935 3.346 1.00 0.00 C ATOM 606 O GLY A 41 -9.815 9.933 4.348 1.00 0.00 O ATOM 0 H GLY A 41 -9.022 7.795 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.253 9.820 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.880 9.226 1.339 1.00 0.00 H new ATOM 610 N THR A 42 -11.720 10.508 3.275 1.00 0.00 N ATOM 611 CA THR A 42 -12.288 11.199 4.420 1.00 0.00 C ATOM 612 C THR A 42 -13.674 10.639 4.748 1.00 0.00 C ATOM 613 O THR A 42 -14.370 11.163 5.615 1.00 0.00 O ATOM 614 CB THR A 42 -12.296 12.698 4.112 1.00 0.00 C ATOM 615 OG1 THR A 42 -13.089 12.806 2.933 1.00 0.00 O ATOM 616 CG2 THR A 42 -10.921 13.215 3.685 1.00 0.00 C ATOM 0 H THR A 42 -12.309 10.508 2.442 1.00 0.00 H new ATOM 0 HA THR A 42 -11.687 11.040 5.315 1.00 0.00 H new ATOM 0 HB THR A 42 -12.633 13.247 4.991 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.148 13.746 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.982 14.283 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.202 13.041 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.598 12.690 2.786 1.00 0.00 H new ATOM 624 N GLU A 43 -14.032 9.580 4.036 1.00 0.00 N ATOM 625 CA GLU A 43 -15.322 8.943 4.241 1.00 0.00 C ATOM 626 C GLU A 43 -15.134 7.536 4.812 1.00 0.00 C ATOM 627 O GLU A 43 -14.128 6.882 4.542 1.00 0.00 O ATOM 628 CB GLU A 43 -16.126 8.904 2.940 1.00 0.00 C ATOM 629 CG GLU A 43 -17.348 9.821 3.023 1.00 0.00 C ATOM 630 CD GLU A 43 -18.619 9.017 3.306 1.00 0.00 C ATOM 631 OE1 GLU A 43 -18.816 8.666 4.489 1.00 0.00 O ATOM 632 OE2 GLU A 43 -19.363 8.772 2.332 1.00 0.00 O ATOM 0 H GLU A 43 -13.452 9.148 3.317 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.887 9.534 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.493 9.211 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -16.447 7.882 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.199 10.561 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -17.461 10.368 2.087 1.00 0.00 H new ATOM 639 N LYS A 44 -16.118 7.112 5.591 1.00 0.00 N ATOM 640 CA LYS A 44 -16.074 5.795 6.202 1.00 0.00 C ATOM 641 C LYS A 44 -17.063 4.872 5.487 1.00 0.00 C ATOM 642 O LYS A 44 -18.275 5.050 5.597 1.00 0.00 O ATOM 643 CB LYS A 44 -16.309 5.896 7.711 1.00 0.00 C ATOM 644 CG LYS A 44 -16.463 4.509 8.337 1.00 0.00 C ATOM 645 CD LYS A 44 -15.576 4.364 9.575 1.00 0.00 C ATOM 646 CE LYS A 44 -16.349 3.726 10.731 1.00 0.00 C ATOM 647 NZ LYS A 44 -15.423 3.314 11.809 1.00 0.00 N ATOM 0 H LYS A 44 -16.951 7.658 5.813 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.084 5.354 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.474 6.419 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.204 6.487 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.505 4.343 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.200 3.745 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.706 3.754 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.205 5.343 9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.080 4.434 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.905 2.860 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.964 2.883 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.742 2.622 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.911 4.147 12.164 1.00 0.00 H new ATOM 719 N SER A 49 -11.839 0.884 7.438 1.00 0.00 N ATOM 720 CA SER A 49 -11.424 1.783 6.375 1.00 0.00 C ATOM 721 C SER A 49 -10.544 2.897 6.947 1.00 0.00 C ATOM 722 O SER A 49 -10.665 3.249 8.119 1.00 0.00 O ATOM 723 CB SER A 49 -12.634 2.380 5.655 1.00 0.00 C ATOM 724 OG SER A 49 -13.508 3.060 6.552 1.00 0.00 O ATOM 0 HA SER A 49 -10.849 1.211 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.293 3.073 4.886 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.182 1.586 5.147 1.00 0.00 H new ATOM 0 HG SER A 49 -13.526 2.589 7.411 1.00 0.00 H new ATOM 730 N ILE A 50 -9.678 3.421 6.091 1.00 0.00 N ATOM 731 CA ILE A 50 -8.778 4.487 6.496 1.00 0.00 C ATOM 732 C ILE A 50 -9.467 5.837 6.288 1.00 0.00 C ATOM 733 O ILE A 50 -9.947 6.130 5.194 1.00 0.00 O ATOM 734 CB ILE A 50 -7.438 4.362 5.769 1.00 0.00 C ATOM 735 CG1 ILE A 50 -6.900 2.932 5.852 1.00 0.00 C ATOM 736 CG2 ILE A 50 -6.430 5.385 6.297 1.00 0.00 C ATOM 737 CD1 ILE A 50 -5.682 2.750 4.944 1.00 0.00 C ATOM 0 H ILE A 50 -9.581 3.127 5.119 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.547 4.407 7.558 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.600 4.584 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.628 2.701 6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.681 2.229 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.486 5.275 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.818 6.392 6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.266 5.219 7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.320 1.725 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.964 2.958 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.894 3.438 5.250 1.00 0.00 H new ATOM 749 N GLN A 51 -9.495 6.622 7.354 1.00 0.00 N ATOM 750 CA GLN A 51 -10.117 7.934 7.302 1.00 0.00 C ATOM 751 C GLN A 51 -9.092 9.022 7.629 1.00 0.00 C ATOM 752 O GLN A 51 -8.797 9.270 8.797 1.00 0.00 O ATOM 753 CB GLN A 51 -11.318 8.010 8.247 1.00 0.00 C ATOM 754 CG GLN A 51 -12.057 9.340 8.090 1.00 0.00 C ATOM 755 CD GLN A 51 -13.303 9.383 8.977 1.00 0.00 C ATOM 756 OE1 GLN A 51 -13.253 9.154 10.174 1.00 0.00 O ATOM 757 NE2 GLN A 51 -14.421 9.688 8.324 1.00 0.00 N ATOM 0 H GLN A 51 -9.097 6.375 8.260 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.483 8.100 6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.000 7.185 8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.982 7.896 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.392 10.163 8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.343 9.480 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.392 9.868 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.307 9.742 8.827 1.00 0.00 H new ATOM 766 N LEU A 52 -8.578 9.641 6.577 1.00 0.00 N ATOM 767 CA LEU A 52 -7.592 10.697 6.738 1.00 0.00 C ATOM 768 C LEU A 52 -8.268 12.055 6.538 1.00 0.00 C ATOM 769 O LEU A 52 -9.423 12.122 6.120 1.00 0.00 O ATOM 770 CB LEU A 52 -6.399 10.461 5.810 1.00 0.00 C ATOM 771 CG LEU A 52 -5.772 9.066 5.864 1.00 0.00 C ATOM 772 CD1 LEU A 52 -5.867 8.477 7.273 1.00 0.00 C ATOM 773 CD2 LEU A 52 -6.395 8.144 4.814 1.00 0.00 C ATOM 0 H LEU A 52 -8.825 9.432 5.610 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.186 10.689 7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.717 10.655 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.628 11.194 6.049 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.713 9.158 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.414 7.486 7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.340 9.124 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.914 8.401 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.932 7.159 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.465 8.053 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.232 8.562 3.820 1.00 0.00 H new ATOM 785 N PHE A 53 -7.519 13.104 6.845 1.00 0.00 N ATOM 786 CA PHE A 53 -8.031 14.456 6.704 1.00 0.00 C ATOM 787 C PHE A 53 -6.919 15.423 6.291 1.00 0.00 C ATOM 788 O PHE A 53 -5.973 15.644 7.045 1.00 0.00 O ATOM 789 CB PHE A 53 -8.572 14.874 8.073 1.00 0.00 C ATOM 790 CG PHE A 53 -9.411 13.799 8.766 1.00 0.00 C ATOM 791 CD1 PHE A 53 -8.801 12.811 9.473 1.00 0.00 C ATOM 792 CD2 PHE A 53 -10.768 13.831 8.673 1.00 0.00 C ATOM 793 CE1 PHE A 53 -9.580 11.812 10.116 1.00 0.00 C ATOM 794 CE2 PHE A 53 -11.547 12.832 9.316 1.00 0.00 C ATOM 795 CZ PHE A 53 -10.936 11.844 10.024 1.00 0.00 C ATOM 0 H PHE A 53 -6.561 13.045 7.191 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.803 14.483 5.935 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.734 15.138 8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.178 15.772 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.724 12.786 9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.253 14.615 8.111 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.095 11.027 10.678 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.624 12.857 9.243 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.528 11.085 10.513 1.00 0.00 H new ATOM 805 N GLY A 54 -7.072 15.973 5.096 1.00 0.00 N ATOM 806 CA GLY A 54 -6.093 16.911 4.573 1.00 0.00 C ATOM 807 C GLY A 54 -6.688 17.752 3.443 1.00 0.00 C ATOM 808 O GLY A 54 -7.736 17.411 2.896 1.00 0.00 O ATOM 0 H GLY A 54 -7.859 15.787 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.747 17.564 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.223 16.367 4.206 1.00 0.00 H new ATOM 812 N PRO A 55 -5.976 18.864 3.117 1.00 0.00 N ATOM 813 CA PRO A 55 -6.423 19.757 2.061 1.00 0.00 C ATOM 814 C PRO A 55 -6.166 19.146 0.682 1.00 0.00 C ATOM 815 O PRO A 55 -5.021 19.051 0.244 1.00 0.00 O ATOM 816 CB PRO A 55 -5.658 21.050 2.289 1.00 0.00 C ATOM 817 CG PRO A 55 -4.476 20.685 3.173 1.00 0.00 C ATOM 818 CD PRO A 55 -4.731 19.299 3.743 1.00 0.00 C ATOM 0 HA PRO A 55 -7.498 19.936 2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.322 21.477 1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.289 21.798 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.551 20.697 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.361 21.413 3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.912 18.618 3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.823 19.328 4.829 1.00 0.00 H new ATOM 826 N GLY A 56 -7.252 18.748 0.035 1.00 0.00 N ATOM 827 CA GLY A 56 -7.159 18.149 -1.285 1.00 0.00 C ATOM 828 C GLY A 56 -7.477 16.653 -1.233 1.00 0.00 C ATOM 829 O GLY A 56 -7.121 15.907 -2.143 1.00 0.00 O ATOM 0 H GLY A 56 -8.201 18.829 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.851 18.648 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.156 18.297 -1.686 1.00 0.00 H new ATOM 833 N ILE A 57 -8.144 16.260 -0.158 1.00 0.00 N ATOM 834 CA ILE A 57 -8.514 14.867 0.025 1.00 0.00 C ATOM 835 C ILE A 57 -9.997 14.690 -0.308 1.00 0.00 C ATOM 836 O ILE A 57 -10.784 15.626 -0.172 1.00 0.00 O ATOM 837 CB ILE A 57 -8.139 14.393 1.431 1.00 0.00 C ATOM 838 CG1 ILE A 57 -6.763 14.924 1.839 1.00 0.00 C ATOM 839 CG2 ILE A 57 -8.219 12.869 1.535 1.00 0.00 C ATOM 840 CD1 ILE A 57 -5.645 14.128 1.162 1.00 0.00 C ATOM 0 H ILE A 57 -8.438 16.882 0.595 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.954 14.231 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.864 14.802 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.680 15.976 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.653 14.864 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.948 12.558 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.235 12.542 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.531 12.419 0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.678 14.526 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.716 13.080 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.744 14.210 0.080 1.00 0.00 H new ATOM 852 N GLN A 58 -10.334 13.482 -0.737 1.00 0.00 N ATOM 853 CA GLN A 58 -11.709 13.170 -1.090 1.00 0.00 C ATOM 854 C GLN A 58 -12.248 12.055 -0.191 1.00 0.00 C ATOM 855 O GLN A 58 -11.536 11.557 0.680 1.00 0.00 O ATOM 856 CB GLN A 58 -11.822 12.787 -2.567 1.00 0.00 C ATOM 857 CG GLN A 58 -10.566 13.199 -3.338 1.00 0.00 C ATOM 858 CD GLN A 58 -10.466 14.722 -3.449 1.00 0.00 C ATOM 859 OE1 GLN A 58 -11.446 15.421 -3.647 1.00 0.00 O ATOM 860 NE2 GLN A 58 -9.230 15.194 -3.313 1.00 0.00 N ATOM 0 H GLN A 58 -9.679 12.708 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.316 14.062 -0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.972 11.711 -2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -12.696 13.268 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.681 12.809 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.586 12.759 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.454 14.552 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.058 16.198 -3.373 1.00 0.00 H new ATOM 869 N PRO A 59 -13.533 11.687 -0.440 1.00 0.00 N ATOM 870 CA PRO A 59 -14.175 10.640 0.336 1.00 0.00 C ATOM 871 C PRO A 59 -13.664 9.259 -0.077 1.00 0.00 C ATOM 872 O PRO A 59 -13.113 8.526 0.744 1.00 0.00 O ATOM 873 CB PRO A 59 -15.664 10.822 0.086 1.00 0.00 C ATOM 874 CG PRO A 59 -15.774 11.660 -1.178 1.00 0.00 C ATOM 875 CD PRO A 59 -14.406 12.256 -1.463 1.00 0.00 C ATOM 0 HA PRO A 59 -13.952 10.709 1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.160 9.859 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.144 11.321 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.105 11.046 -2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.515 12.449 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.063 11.998 -2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.428 13.344 -1.404 1.00 0.00 H new ATOM 883 N HIS A 60 -13.864 8.945 -1.348 1.00 0.00 N ATOM 884 CA HIS A 60 -13.430 7.664 -1.880 1.00 0.00 C ATOM 885 C HIS A 60 -12.125 7.847 -2.658 1.00 0.00 C ATOM 886 O HIS A 60 -12.124 7.834 -3.887 1.00 0.00 O ATOM 887 CB HIS A 60 -14.535 7.022 -2.720 1.00 0.00 C ATOM 888 CG HIS A 60 -14.450 5.516 -2.799 1.00 0.00 C ATOM 889 ND1 HIS A 60 -15.408 4.743 -3.432 1.00 0.00 N ATOM 890 CD2 HIS A 60 -13.511 4.650 -2.321 1.00 0.00 C ATOM 891 CE1 HIS A 60 -15.051 3.471 -3.332 1.00 0.00 C ATOM 892 NE2 HIS A 60 -13.876 3.415 -2.642 1.00 0.00 N ATOM 0 H HIS A 60 -14.321 9.555 -2.026 1.00 0.00 H new ATOM 0 HA HIS A 60 -13.230 6.975 -1.060 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -15.503 7.300 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -14.494 7.431 -3.729 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -16.246 5.093 -3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -12.621 4.923 -1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -15.595 2.626 -3.728 1.00 0.00 H new ATOM 900 N HIS A 61 -11.045 8.014 -1.908 1.00 0.00 N ATOM 901 CA HIS A 61 -9.736 8.200 -2.511 1.00 0.00 C ATOM 902 C HIS A 61 -9.385 6.977 -3.361 1.00 0.00 C ATOM 903 O HIS A 61 -9.346 7.059 -4.587 1.00 0.00 O ATOM 904 CB HIS A 61 -8.684 8.503 -1.443 1.00 0.00 C ATOM 905 CG HIS A 61 -7.483 9.258 -1.962 1.00 0.00 C ATOM 906 ND1 HIS A 61 -7.338 10.627 -1.816 1.00 0.00 N ATOM 907 CD2 HIS A 61 -6.373 8.821 -2.624 1.00 0.00 C ATOM 908 CE1 HIS A 61 -6.190 10.987 -2.371 1.00 0.00 C ATOM 909 NE2 HIS A 61 -5.593 9.867 -2.871 1.00 0.00 N ATOM 0 H HIS A 61 -11.050 8.024 -0.888 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.756 9.066 -3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.148 9.082 -0.645 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.348 7.565 -1.002 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.002 11.252 -1.359 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.164 7.798 -2.900 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.796 11.991 -2.419 1.00 0.00 H new ATOM 917 N CYS A 62 -9.137 5.871 -2.674 1.00 0.00 N ATOM 918 CA CYS A 62 -8.790 4.633 -3.350 1.00 0.00 C ATOM 919 C CYS A 62 -9.204 3.464 -2.454 1.00 0.00 C ATOM 920 O CYS A 62 -9.525 3.658 -1.282 1.00 0.00 O ATOM 921 CB CYS A 62 -7.303 4.580 -3.706 1.00 0.00 C ATOM 922 SG CYS A 62 -6.296 4.527 -2.179 1.00 0.00 S ATOM 0 H CYS A 62 -9.170 5.807 -1.657 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.325 4.571 -4.297 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.098 3.701 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.032 5.452 -4.301 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.080 4.901 -2.448 1.00 0.00 H new ATOM 928 N ASP A 63 -9.184 2.275 -3.039 1.00 0.00 N ATOM 929 CA ASP A 63 -9.554 1.075 -2.307 1.00 0.00 C ATOM 930 C ASP A 63 -8.330 0.166 -2.177 1.00 0.00 C ATOM 931 O ASP A 63 -7.550 0.030 -3.118 1.00 0.00 O ATOM 932 CB ASP A 63 -10.645 0.296 -3.044 1.00 0.00 C ATOM 933 CG ASP A 63 -10.136 -0.805 -3.976 1.00 0.00 C ATOM 934 OD1 ASP A 63 -9.508 -1.749 -3.451 1.00 0.00 O ATOM 935 OD2 ASP A 63 -10.388 -0.678 -5.194 1.00 0.00 O ATOM 0 H ASP A 63 -8.918 2.117 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.925 1.377 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.311 -0.152 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.241 0.998 -3.627 1.00 0.00 H new ATOM 940 N LEU A 64 -8.201 -0.433 -1.002 1.00 0.00 N ATOM 941 CA LEU A 64 -7.085 -1.326 -0.736 1.00 0.00 C ATOM 942 C LEU A 64 -7.618 -2.733 -0.462 1.00 0.00 C ATOM 943 O LEU A 64 -7.915 -3.077 0.681 1.00 0.00 O ATOM 944 CB LEU A 64 -6.211 -0.769 0.390 1.00 0.00 C ATOM 945 CG LEU A 64 -5.668 0.646 0.180 1.00 0.00 C ATOM 946 CD1 LEU A 64 -5.508 1.374 1.516 1.00 0.00 C ATOM 947 CD2 LEU A 64 -4.364 0.620 -0.619 1.00 0.00 C ATOM 0 H LEU A 64 -8.850 -0.318 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.435 -1.395 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.791 -0.781 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.367 -1.443 0.535 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.394 1.207 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.121 2.377 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.476 1.441 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.813 0.823 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.000 1.638 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.618 0.036 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.544 0.167 -1.594 1.00 0.00 H new ATOM 959 N THR A 65 -7.723 -3.510 -1.530 1.00 0.00 N ATOM 960 CA THR A 65 -8.215 -4.872 -1.420 1.00 0.00 C ATOM 961 C THR A 65 -7.047 -5.852 -1.287 1.00 0.00 C ATOM 962 O THR A 65 -5.959 -5.600 -1.802 1.00 0.00 O ATOM 963 CB THR A 65 -9.109 -5.153 -2.630 1.00 0.00 C ATOM 964 OG1 THR A 65 -10.240 -4.310 -2.428 1.00 0.00 O ATOM 965 CG2 THR A 65 -9.690 -6.568 -2.614 1.00 0.00 C ATOM 0 H THR A 65 -7.475 -3.222 -2.476 1.00 0.00 H new ATOM 0 HA THR A 65 -8.814 -5.004 -0.519 1.00 0.00 H new ATOM 0 HB THR A 65 -8.536 -5.007 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.041 -3.410 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.316 -6.714 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.878 -7.295 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.291 -6.705 -1.715 1.00 0.00 H new ATOM 973 N ASN A 66 -7.313 -6.949 -0.594 1.00 0.00 N ATOM 974 CA ASN A 66 -6.298 -7.968 -0.387 1.00 0.00 C ATOM 975 C ASN A 66 -6.757 -9.278 -1.030 1.00 0.00 C ATOM 976 O ASN A 66 -7.642 -9.953 -0.508 1.00 0.00 O ATOM 977 CB ASN A 66 -6.073 -8.227 1.104 1.00 0.00 C ATOM 978 CG ASN A 66 -4.857 -9.128 1.327 1.00 0.00 C ATOM 979 OD1 ASN A 66 -3.992 -9.268 0.479 1.00 0.00 O ATOM 980 ND2 ASN A 66 -4.840 -9.729 2.514 1.00 0.00 N ATOM 0 H ASN A 66 -8.217 -7.155 -0.169 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.370 -7.614 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.928 -7.280 1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.959 -8.694 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.070 -10.351 2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.597 -9.568 3.178 1.00 0.00 H new ATOM 987 N MET A 67 -6.134 -9.598 -2.155 1.00 0.00 N ATOM 988 CA MET A 67 -6.468 -10.814 -2.876 1.00 0.00 C ATOM 989 C MET A 67 -5.254 -11.740 -2.981 1.00 0.00 C ATOM 990 O MET A 67 -4.409 -11.564 -3.858 1.00 0.00 O ATOM 991 CB MET A 67 -6.962 -10.458 -4.279 1.00 0.00 C ATOM 992 CG MET A 67 -7.997 -9.333 -4.226 1.00 0.00 C ATOM 993 SD MET A 67 -9.284 -9.742 -3.059 1.00 0.00 S ATOM 994 CE MET A 67 -10.193 -10.949 -4.009 1.00 0.00 C ATOM 0 H MET A 67 -5.399 -9.036 -2.585 1.00 0.00 H new ATOM 0 HA MET A 67 -7.253 -11.335 -2.327 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.119 -10.153 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.400 -11.339 -4.749 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.516 -8.399 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.428 -9.177 -5.215 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.257 -10.717 -3.969 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.855 -10.926 -5.045 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.022 -11.942 -3.594 1.00 0.00 H new ATOM 1004 N ASP A 68 -5.205 -12.705 -2.075 1.00 0.00 N ATOM 1005 CA ASP A 68 -4.108 -13.658 -2.055 1.00 0.00 C ATOM 1006 C ASP A 68 -2.817 -12.936 -1.665 1.00 0.00 C ATOM 1007 O ASP A 68 -1.819 -13.012 -2.379 1.00 0.00 O ATOM 1008 CB ASP A 68 -3.900 -14.287 -3.434 1.00 0.00 C ATOM 1009 CG ASP A 68 -3.172 -15.632 -3.428 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -3.834 -16.634 -3.080 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.970 -15.629 -3.772 1.00 0.00 O ATOM 0 H ASP A 68 -5.907 -12.848 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.353 -14.439 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.873 -14.420 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.337 -13.589 -4.054 1.00 0.00 H new ATOM 1016 N GLY A 69 -2.879 -12.251 -0.532 1.00 0.00 N ATOM 1017 CA GLY A 69 -1.728 -11.515 -0.039 1.00 0.00 C ATOM 1018 C GLY A 69 -1.276 -10.461 -1.051 1.00 0.00 C ATOM 1019 O GLY A 69 -0.136 -10.000 -1.006 1.00 0.00 O ATOM 0 H GLY A 69 -3.709 -12.191 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.978 -11.033 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.909 -12.206 0.162 1.00 0.00 H new ATOM 1023 N VAL A 70 -2.193 -10.109 -1.940 1.00 0.00 N ATOM 1024 CA VAL A 70 -1.902 -9.117 -2.962 1.00 0.00 C ATOM 1025 C VAL A 70 -2.796 -7.894 -2.747 1.00 0.00 C ATOM 1026 O VAL A 70 -3.983 -8.032 -2.452 1.00 0.00 O ATOM 1027 CB VAL A 70 -2.060 -9.736 -4.352 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -1.562 -8.780 -5.437 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.340 -11.084 -4.436 1.00 0.00 C ATOM 0 H VAL A 70 -3.138 -10.493 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.868 -8.782 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.122 -9.912 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.685 -9.244 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.137 -7.855 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.508 -8.559 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.468 -11.503 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.278 -10.942 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.761 -11.768 -3.699 1.00 0.00 H new ATOM 1039 N VAL A 71 -2.193 -6.725 -2.904 1.00 0.00 N ATOM 1040 CA VAL A 71 -2.919 -5.479 -2.731 1.00 0.00 C ATOM 1041 C VAL A 71 -2.555 -4.519 -3.866 1.00 0.00 C ATOM 1042 O VAL A 71 -1.387 -4.403 -4.234 1.00 0.00 O ATOM 1043 CB VAL A 71 -2.639 -4.897 -1.344 1.00 0.00 C ATOM 1044 CG1 VAL A 71 -3.220 -3.488 -1.212 1.00 0.00 C ATOM 1045 CG2 VAL A 71 -3.176 -5.817 -0.245 1.00 0.00 C ATOM 0 H VAL A 71 -1.209 -6.615 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.994 -5.654 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.558 -4.825 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.007 -3.098 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.769 -2.837 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.299 -3.524 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.964 -5.380 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.253 -5.935 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.694 -6.792 -0.319 1.00 0.00 H new ATOM 1055 N THR A 72 -3.576 -3.857 -4.389 1.00 0.00 N ATOM 1056 CA THR A 72 -3.378 -2.912 -5.474 1.00 0.00 C ATOM 1057 C THR A 72 -4.208 -1.648 -5.239 1.00 0.00 C ATOM 1058 O THR A 72 -5.434 -1.712 -5.161 1.00 0.00 O ATOM 1059 CB THR A 72 -3.712 -3.622 -6.787 1.00 0.00 C ATOM 1060 OG1 THR A 72 -4.979 -4.227 -6.542 1.00 0.00 O ATOM 1061 CG2 THR A 72 -2.782 -4.805 -7.066 1.00 0.00 C ATOM 0 H THR A 72 -4.543 -3.956 -4.081 1.00 0.00 H new ATOM 0 HA THR A 72 -2.341 -2.578 -5.523 1.00 0.00 H new ATOM 0 HB THR A 72 -3.651 -2.910 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.526 -3.630 -5.990 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.062 -5.274 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.753 -4.452 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.868 -5.533 -6.260 1.00 0.00 H new ATOM 1069 N VAL A 73 -3.506 -0.529 -5.133 1.00 0.00 N ATOM 1070 CA VAL A 73 -4.163 0.748 -4.908 1.00 0.00 C ATOM 1071 C VAL A 73 -4.985 1.118 -6.145 1.00 0.00 C ATOM 1072 O VAL A 73 -4.432 1.310 -7.227 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.127 1.811 -4.538 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -1.957 1.802 -5.523 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.769 3.198 -4.461 1.00 0.00 C ATOM 0 H VAL A 73 -2.489 -0.480 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.853 0.680 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.735 1.568 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.235 2.567 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.475 0.824 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.326 2.008 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.011 3.935 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.201 3.453 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.552 3.195 -3.703 1.00 0.00 H new ATOM 1085 N THR A 74 -6.291 1.207 -5.943 1.00 0.00 N ATOM 1086 CA THR A 74 -7.194 1.552 -7.028 1.00 0.00 C ATOM 1087 C THR A 74 -7.898 2.878 -6.735 1.00 0.00 C ATOM 1088 O THR A 74 -8.780 2.942 -5.880 1.00 0.00 O ATOM 1089 CB THR A 74 -8.160 0.382 -7.228 1.00 0.00 C ATOM 1090 OG1 THR A 74 -7.329 -0.681 -7.685 1.00 0.00 O ATOM 1091 CG2 THR A 74 -9.134 0.618 -8.384 1.00 0.00 C ATOM 0 H THR A 74 -6.746 1.046 -5.044 1.00 0.00 H new ATOM 0 HA THR A 74 -6.651 1.708 -7.960 1.00 0.00 H new ATOM 0 HB THR A 74 -8.722 0.214 -6.309 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.504 -0.847 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.797 -0.242 -8.483 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.726 1.511 -8.184 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.574 0.753 -9.310 1.00 0.00 H new ATOM 1099 N PRO A 75 -7.471 3.932 -7.481 1.00 0.00 N ATOM 1100 CA PRO A 75 -8.051 5.253 -7.311 1.00 0.00 C ATOM 1101 C PRO A 75 -9.443 5.327 -7.941 1.00 0.00 C ATOM 1102 O PRO A 75 -9.582 5.236 -9.160 1.00 0.00 O ATOM 1103 CB PRO A 75 -7.056 6.205 -7.955 1.00 0.00 C ATOM 1104 CG PRO A 75 -6.191 5.350 -8.866 1.00 0.00 C ATOM 1105 CD PRO A 75 -6.429 3.894 -8.503 1.00 0.00 C ATOM 0 HA PRO A 75 -8.209 5.511 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.569 6.983 -8.521 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.451 6.707 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.444 5.529 -9.911 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.139 5.607 -8.744 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.747 3.316 -9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.520 3.427 -8.124 1.00 0.00 H new ATOM 1113 N ARG A 76 -10.438 5.492 -7.082 1.00 0.00 N ATOM 1114 CA ARG A 76 -11.815 5.579 -7.540 1.00 0.00 C ATOM 1115 C ARG A 76 -12.106 6.980 -8.081 1.00 0.00 C ATOM 1116 O ARG A 76 -13.033 7.164 -8.869 1.00 0.00 O ATOM 1117 CB ARG A 76 -12.793 5.263 -6.406 1.00 0.00 C ATOM 1118 CG ARG A 76 -12.409 3.963 -5.697 1.00 0.00 C ATOM 1119 CD ARG A 76 -12.639 2.754 -6.606 1.00 0.00 C ATOM 1120 NE ARG A 76 -14.012 2.235 -6.421 1.00 0.00 N ATOM 1121 CZ ARG A 76 -14.460 1.089 -6.951 1.00 0.00 C ATOM 1122 NH1 ARG A 76 -13.646 0.336 -7.704 1.00 0.00 N ATOM 1123 NH2 ARG A 76 -15.721 0.695 -6.730 1.00 0.00 N ATOM 0 H ARG A 76 -10.319 5.568 -6.072 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.948 4.845 -8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.801 6.084 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.804 5.179 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.362 4.003 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.997 3.854 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.486 3.037 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.913 1.974 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.658 2.784 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.686 0.636 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.987 -0.537 -8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.341 1.268 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.061 -0.178 -7.134 1.00 0.00 H new ATOM 1137 N SER A 77 -11.299 7.931 -7.636 1.00 0.00 N ATOM 1138 CA SER A 77 -11.459 9.310 -8.066 1.00 0.00 C ATOM 1139 C SER A 77 -10.133 9.846 -8.610 1.00 0.00 C ATOM 1140 O SER A 77 -9.088 9.680 -7.982 1.00 0.00 O ATOM 1141 CB SER A 77 -11.957 10.191 -6.918 1.00 0.00 C ATOM 1142 OG SER A 77 -13.333 9.961 -6.627 1.00 0.00 O ATOM 0 H SER A 77 -10.532 7.774 -6.982 1.00 0.00 H new ATOM 0 HA SER A 77 -12.207 9.336 -8.859 1.00 0.00 H new ATOM 0 HB2 SER A 77 -11.360 9.997 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.811 11.240 -7.176 1.00 0.00 H new ATOM 0 HG SER A 77 -13.612 10.541 -5.888 1.00 0.00 H new ATOM 1148 N MET A 78 -10.219 10.478 -9.771 1.00 0.00 N ATOM 1149 CA MET A 78 -9.039 11.039 -10.406 1.00 0.00 C ATOM 1150 C MET A 78 -8.500 12.229 -9.608 1.00 0.00 C ATOM 1151 O MET A 78 -7.289 12.437 -9.539 1.00 0.00 O ATOM 1152 CB MET A 78 -9.389 11.493 -11.825 1.00 0.00 C ATOM 1153 CG MET A 78 -9.206 10.351 -12.826 1.00 0.00 C ATOM 1154 SD MET A 78 -8.741 11.005 -14.420 1.00 0.00 S ATOM 1155 CE MET A 78 -10.071 10.359 -15.421 1.00 0.00 C ATOM 0 H MET A 78 -11.087 10.614 -10.288 1.00 0.00 H new ATOM 0 HA MET A 78 -8.268 10.269 -10.441 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.420 11.845 -11.854 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.757 12.334 -12.108 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.440 9.663 -12.469 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.131 9.781 -12.913 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.935 10.675 -16.455 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.068 9.270 -15.371 1.00 0.00 H new ATOM 0 HE3 MET A 78 -11.023 10.737 -15.048 1.00 0.00 H new ATOM 1165 N ASP A 79 -9.425 12.977 -9.026 1.00 0.00 N ATOM 1166 CA ASP A 79 -9.058 14.140 -8.236 1.00 0.00 C ATOM 1167 C ASP A 79 -8.174 13.699 -7.067 1.00 0.00 C ATOM 1168 O ASP A 79 -7.231 14.398 -6.699 1.00 0.00 O ATOM 1169 CB ASP A 79 -10.297 14.827 -7.658 1.00 0.00 C ATOM 1170 CG ASP A 79 -11.352 15.230 -8.689 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -10.938 15.700 -9.771 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -12.549 15.060 -8.373 1.00 0.00 O ATOM 0 H ASP A 79 -10.428 12.801 -9.085 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.530 14.837 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.758 14.159 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.980 15.719 -7.117 1.00 0.00 H new ATOM 1177 N ALA A 80 -8.509 12.541 -6.517 1.00 0.00 N ATOM 1178 CA ALA A 80 -7.758 11.999 -5.398 1.00 0.00 C ATOM 1179 C ALA A 80 -6.355 11.614 -5.870 1.00 0.00 C ATOM 1180 O ALA A 80 -6.162 10.546 -6.449 1.00 0.00 O ATOM 1181 CB ALA A 80 -8.517 10.813 -4.800 1.00 0.00 C ATOM 0 H ALA A 80 -9.291 11.963 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.648 12.746 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.953 10.406 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.496 11.145 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.643 10.042 -5.560 1.00 0.00 H new ATOM 1187 N GLU A 81 -5.411 12.505 -5.606 1.00 0.00 N ATOM 1188 CA GLU A 81 -4.031 12.272 -5.997 1.00 0.00 C ATOM 1189 C GLU A 81 -3.445 11.101 -5.205 1.00 0.00 C ATOM 1190 O GLU A 81 -3.378 11.149 -3.978 1.00 0.00 O ATOM 1191 CB GLU A 81 -3.188 13.536 -5.811 1.00 0.00 C ATOM 1192 CG GLU A 81 -3.714 14.679 -6.681 1.00 0.00 C ATOM 1193 CD GLU A 81 -4.346 15.775 -5.821 1.00 0.00 C ATOM 1194 OE1 GLU A 81 -3.668 16.208 -4.864 1.00 0.00 O ATOM 1195 OE2 GLU A 81 -5.493 16.157 -6.141 1.00 0.00 O ATOM 0 H GLU A 81 -5.575 13.390 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.012 12.014 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.202 13.836 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.150 13.326 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.898 15.098 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.451 14.295 -7.386 1.00 0.00 H new ATOM 1202 N THR A 82 -3.037 10.077 -5.940 1.00 0.00 N ATOM 1203 CA THR A 82 -2.459 8.896 -5.322 1.00 0.00 C ATOM 1204 C THR A 82 -1.103 8.574 -5.951 1.00 0.00 C ATOM 1205 O THR A 82 -1.038 8.061 -7.067 1.00 0.00 O ATOM 1206 CB THR A 82 -3.472 7.755 -5.444 1.00 0.00 C ATOM 1207 OG1 THR A 82 -4.455 8.056 -4.457 1.00 0.00 O ATOM 1208 CG2 THR A 82 -2.895 6.410 -4.998 1.00 0.00 C ATOM 0 H THR A 82 -3.095 10.041 -6.958 1.00 0.00 H new ATOM 0 HA THR A 82 -2.259 9.061 -4.263 1.00 0.00 H new ATOM 0 HB THR A 82 -3.811 7.680 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.302 8.959 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.654 5.635 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.033 6.161 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.586 6.475 -3.955 1.00 0.00 H new ATOM 1216 N TYR A 83 -0.052 8.888 -5.208 1.00 0.00 N ATOM 1217 CA TYR A 83 1.300 8.638 -5.679 1.00 0.00 C ATOM 1218 C TYR A 83 1.929 7.456 -4.939 1.00 0.00 C ATOM 1219 O TYR A 83 2.139 7.517 -3.729 1.00 0.00 O ATOM 1220 CB TYR A 83 2.097 9.905 -5.362 1.00 0.00 C ATOM 1221 CG TYR A 83 1.422 11.197 -5.825 1.00 0.00 C ATOM 1222 CD1 TYR A 83 1.499 11.580 -7.149 1.00 0.00 C ATOM 1223 CD2 TYR A 83 0.736 11.981 -4.919 1.00 0.00 C ATOM 1224 CE1 TYR A 83 0.864 12.796 -7.585 1.00 0.00 C ATOM 1225 CE2 TYR A 83 0.101 13.197 -5.355 1.00 0.00 C ATOM 1226 CZ TYR A 83 0.196 13.545 -6.667 1.00 0.00 C ATOM 1227 OH TYR A 83 -0.404 14.694 -7.078 1.00 0.00 O ATOM 0 H TYR A 83 -0.109 9.314 -4.283 1.00 0.00 H new ATOM 0 HA TYR A 83 1.298 8.400 -6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.261 9.959 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.078 9.832 -5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.036 10.967 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.676 11.682 -3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.917 13.107 -8.618 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.439 13.819 -4.656 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.844 15.124 -6.315 1.00 0.00 H new ATOM 1237 N VAL A 84 2.212 6.407 -5.698 1.00 0.00 N ATOM 1238 CA VAL A 84 2.813 5.212 -5.130 1.00 0.00 C ATOM 1239 C VAL A 84 4.332 5.285 -5.291 1.00 0.00 C ATOM 1240 O VAL A 84 4.873 4.861 -6.312 1.00 0.00 O ATOM 1241 CB VAL A 84 2.202 3.964 -5.771 1.00 0.00 C ATOM 1242 CG1 VAL A 84 3.003 2.713 -5.404 1.00 0.00 C ATOM 1243 CG2 VAL A 84 0.732 3.810 -5.378 1.00 0.00 C ATOM 0 H VAL A 84 2.036 6.360 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 84 2.602 5.148 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 84 2.247 4.085 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.548 1.840 -5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.029 2.821 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.003 2.586 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.322 2.916 -5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.652 3.721 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.173 4.684 -5.712 1.00 0.00 H new ATOM 1253 N ASP A 85 4.979 5.825 -4.268 1.00 0.00 N ATOM 1254 CA ASP A 85 6.426 5.959 -4.284 1.00 0.00 C ATOM 1255 C ASP A 85 6.811 7.192 -5.103 1.00 0.00 C ATOM 1256 O ASP A 85 7.828 7.189 -5.795 1.00 0.00 O ATOM 1257 CB ASP A 85 7.084 4.738 -4.929 1.00 0.00 C ATOM 1258 CG ASP A 85 8.545 4.507 -4.535 1.00 0.00 C ATOM 1259 OD1 ASP A 85 9.387 5.316 -4.980 1.00 0.00 O ATOM 1260 OD2 ASP A 85 8.786 3.527 -3.797 1.00 0.00 O ATOM 0 H ASP A 85 4.528 6.175 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 85 6.768 6.051 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.508 3.851 -4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.028 4.844 -6.012 1.00 0.00 H new ATOM 1265 N GLY A 86 5.978 8.217 -4.998 1.00 0.00 N ATOM 1266 CA GLY A 86 6.219 9.454 -5.720 1.00 0.00 C ATOM 1267 C GLY A 86 5.808 9.321 -7.188 1.00 0.00 C ATOM 1268 O GLY A 86 6.340 10.017 -8.051 1.00 0.00 O ATOM 0 H GLY A 86 5.135 8.216 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.660 10.266 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.275 9.716 -5.657 1.00 0.00 H new ATOM 1272 N GLN A 87 4.865 8.422 -7.426 1.00 0.00 N ATOM 1273 CA GLN A 87 4.376 8.188 -8.774 1.00 0.00 C ATOM 1274 C GLN A 87 2.852 8.059 -8.772 1.00 0.00 C ATOM 1275 O GLN A 87 2.305 7.135 -8.171 1.00 0.00 O ATOM 1276 CB GLN A 87 5.031 6.949 -9.388 1.00 0.00 C ATOM 1277 CG GLN A 87 6.189 7.339 -10.309 1.00 0.00 C ATOM 1278 CD GLN A 87 7.165 6.174 -10.485 1.00 0.00 C ATOM 1279 OE1 GLN A 87 6.842 5.139 -11.044 1.00 0.00 O ATOM 1280 NE2 GLN A 87 8.374 6.401 -9.980 1.00 0.00 N ATOM 0 H GLN A 87 4.426 7.846 -6.707 1.00 0.00 H new ATOM 0 HA GLN A 87 4.647 9.045 -9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.396 6.296 -8.595 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.289 6.383 -9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.799 7.642 -11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.715 8.199 -9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.578 7.291 -9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.098 5.686 -10.048 1.00 0.00 H new ATOM 1289 N ARG A 88 2.209 8.997 -9.451 1.00 0.00 N ATOM 1290 CA ARG A 88 0.758 9.000 -9.535 1.00 0.00 C ATOM 1291 C ARG A 88 0.276 7.854 -10.427 1.00 0.00 C ATOM 1292 O ARG A 88 0.805 7.648 -11.518 1.00 0.00 O ATOM 1293 CB ARG A 88 0.241 10.326 -10.095 1.00 0.00 C ATOM 1294 CG ARG A 88 -1.224 10.207 -10.521 1.00 0.00 C ATOM 1295 CD ARG A 88 -2.015 11.452 -10.114 1.00 0.00 C ATOM 1296 NE ARG A 88 -3.291 11.508 -10.863 1.00 0.00 N ATOM 1297 CZ ARG A 88 -3.377 11.703 -12.186 1.00 0.00 C ATOM 1298 NH1 ARG A 88 -2.263 11.864 -12.914 1.00 0.00 N ATOM 1299 NH2 ARG A 88 -4.577 11.739 -12.781 1.00 0.00 N ATOM 0 H ARG A 88 2.666 9.761 -9.949 1.00 0.00 H new ATOM 0 HA ARG A 88 0.367 8.869 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.342 11.107 -9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.849 10.626 -10.949 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.283 10.071 -11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.669 9.323 -10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.213 11.433 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.427 12.348 -10.313 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.158 11.391 -10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.350 11.838 -12.461 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.329 12.012 -13.921 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.425 11.618 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.643 11.887 -13.788 1.00 0.00 H new ATOM 1313 N ILE A 89 -0.722 7.139 -9.929 1.00 0.00 N ATOM 1314 CA ILE A 89 -1.281 6.019 -10.668 1.00 0.00 C ATOM 1315 C ILE A 89 -2.591 6.453 -11.329 1.00 0.00 C ATOM 1316 O ILE A 89 -3.259 7.368 -10.849 1.00 0.00 O ATOM 1317 CB ILE A 89 -1.426 4.797 -9.759 1.00 0.00 C ATOM 1318 CG1 ILE A 89 -2.408 5.075 -8.619 1.00 0.00 C ATOM 1319 CG2 ILE A 89 -0.063 4.333 -9.242 1.00 0.00 C ATOM 1320 CD1 ILE A 89 -3.042 3.778 -8.113 1.00 0.00 C ATOM 0 H ILE A 89 -1.158 7.313 -9.023 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.606 5.714 -11.468 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.841 3.980 -10.349 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.889 5.574 -7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.187 5.755 -8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.195 3.463 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.575 4.067 -10.085 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.404 5.138 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.736 4.004 -7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.581 3.294 -8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.262 3.110 -7.747 1.00 0.00 H new ATOM 1332 N SER A 90 -2.919 5.777 -12.420 1.00 0.00 N ATOM 1333 CA SER A 90 -4.137 6.081 -13.151 1.00 0.00 C ATOM 1334 C SER A 90 -5.105 4.899 -13.069 1.00 0.00 C ATOM 1335 O SER A 90 -6.302 5.055 -13.308 1.00 0.00 O ATOM 1336 CB SER A 90 -3.832 6.418 -14.612 1.00 0.00 C ATOM 1337 OG SER A 90 -3.054 5.404 -15.243 1.00 0.00 O ATOM 0 H SER A 90 -2.362 5.019 -12.816 1.00 0.00 H new ATOM 0 HA SER A 90 -4.602 6.955 -12.694 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.767 6.549 -15.157 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.299 7.367 -14.661 1.00 0.00 H new ATOM 0 HG SER A 90 -2.882 5.656 -16.174 1.00 0.00 H new ATOM 1343 N GLU A 91 -4.552 3.744 -12.732 1.00 0.00 N ATOM 1344 CA GLU A 91 -5.351 2.537 -12.616 1.00 0.00 C ATOM 1345 C GLU A 91 -4.845 1.673 -11.459 1.00 0.00 C ATOM 1346 O GLU A 91 -3.931 2.070 -10.738 1.00 0.00 O ATOM 1347 CB GLU A 91 -5.350 1.750 -13.928 1.00 0.00 C ATOM 1348 CG GLU A 91 -6.058 2.531 -15.037 1.00 0.00 C ATOM 1349 CD GLU A 91 -7.561 2.240 -15.039 1.00 0.00 C ATOM 1350 OE1 GLU A 91 -8.187 2.483 -13.985 1.00 0.00 O ATOM 1351 OE2 GLU A 91 -8.048 1.782 -16.095 1.00 0.00 O ATOM 0 H GLU A 91 -3.559 3.618 -12.535 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.380 2.826 -12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.324 1.536 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.846 0.790 -13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.891 3.599 -14.898 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.631 2.265 -16.004 1.00 0.00 H new ATOM 1358 N THR A 92 -5.460 0.509 -11.318 1.00 0.00 N ATOM 1359 CA THR A 92 -5.083 -0.414 -10.261 1.00 0.00 C ATOM 1360 C THR A 92 -3.584 -0.713 -10.323 1.00 0.00 C ATOM 1361 O THR A 92 -3.130 -1.451 -11.196 1.00 0.00 O ATOM 1362 CB THR A 92 -5.957 -1.663 -10.389 1.00 0.00 C ATOM 1363 OG1 THR A 92 -7.282 -1.183 -10.174 1.00 0.00 O ATOM 1364 CG2 THR A 92 -5.731 -2.656 -9.247 1.00 0.00 C ATOM 0 H THR A 92 -6.217 0.183 -11.918 1.00 0.00 H new ATOM 0 HA THR A 92 -5.255 0.021 -9.277 1.00 0.00 H new ATOM 0 HB THR A 92 -5.753 -2.152 -11.341 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.915 -1.928 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.376 -3.524 -9.386 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.689 -2.975 -9.243 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.967 -2.177 -8.297 1.00 0.00 H new ATOM 1372 N THR A 93 -2.856 -0.124 -9.386 1.00 0.00 N ATOM 1373 CA THR A 93 -1.417 -0.318 -9.324 1.00 0.00 C ATOM 1374 C THR A 93 -1.049 -1.199 -8.129 1.00 0.00 C ATOM 1375 O THR A 93 -1.545 -0.990 -7.023 1.00 0.00 O ATOM 1376 CB THR A 93 -0.755 1.061 -9.289 1.00 0.00 C ATOM 1377 OG1 THR A 93 -1.016 1.605 -10.580 1.00 0.00 O ATOM 1378 CG2 THR A 93 0.771 0.977 -9.221 1.00 0.00 C ATOM 0 H THR A 93 -3.235 0.488 -8.663 1.00 0.00 H new ATOM 0 HA THR A 93 -1.051 -0.848 -10.203 1.00 0.00 H new ATOM 0 HB THR A 93 -1.126 1.619 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.966 1.833 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.190 1.983 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.066 0.441 -8.319 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.146 0.448 -10.097 1.00 0.00 H new ATOM 1386 N MET A 94 -0.182 -2.166 -8.392 1.00 0.00 N ATOM 1387 CA MET A 94 0.258 -3.080 -7.352 1.00 0.00 C ATOM 1388 C MET A 94 1.101 -2.352 -6.303 1.00 0.00 C ATOM 1389 O MET A 94 1.767 -1.364 -6.613 1.00 0.00 O ATOM 1390 CB MET A 94 1.083 -4.206 -7.978 1.00 0.00 C ATOM 1391 CG MET A 94 1.343 -5.323 -6.965 1.00 0.00 C ATOM 1392 SD MET A 94 1.760 -6.835 -7.817 1.00 0.00 S ATOM 1393 CE MET A 94 0.157 -7.279 -8.463 1.00 0.00 C ATOM 0 H MET A 94 0.227 -2.336 -9.311 1.00 0.00 H new ATOM 0 HA MET A 94 -0.623 -3.493 -6.860 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.557 -4.610 -8.843 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.032 -3.809 -8.339 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.155 -5.037 -6.296 1.00 0.00 H new ATOM 0 HG3 MET A 94 0.459 -5.477 -6.346 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.090 -8.296 -8.157 1.00 0.00 H new ATOM 0 HE2 MET A 94 -0.595 -6.591 -8.075 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.175 -7.221 -9.551 1.00 0.00 H new ATOM 1403 N LEU A 95 1.046 -2.867 -5.084 1.00 0.00 N ATOM 1404 CA LEU A 95 1.796 -2.279 -3.988 1.00 0.00 C ATOM 1405 C LEU A 95 2.937 -3.219 -3.593 1.00 0.00 C ATOM 1406 O LEU A 95 2.739 -4.427 -3.480 1.00 0.00 O ATOM 1407 CB LEU A 95 0.862 -1.925 -2.829 1.00 0.00 C ATOM 1408 CG LEU A 95 -0.001 -0.676 -3.020 1.00 0.00 C ATOM 1409 CD1 LEU A 95 -0.893 -0.435 -1.801 1.00 0.00 C ATOM 1410 CD2 LEU A 95 0.863 0.543 -3.348 1.00 0.00 C ATOM 0 H LEU A 95 0.493 -3.686 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 95 2.251 -1.339 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.203 -2.774 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 95 1.465 -1.792 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.659 -0.843 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.496 0.459 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.548 -1.294 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.271 -0.298 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.225 1.417 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.562 0.723 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.418 0.359 -4.268 1.00 0.00 H new ATOM 1422 N GLN A 96 4.106 -2.628 -3.395 1.00 0.00 N ATOM 1423 CA GLN A 96 5.279 -3.397 -3.016 1.00 0.00 C ATOM 1424 C GLN A 96 5.872 -2.855 -1.714 1.00 0.00 C ATOM 1425 O GLN A 96 5.928 -1.643 -1.511 1.00 0.00 O ATOM 1426 CB GLN A 96 6.321 -3.396 -4.135 1.00 0.00 C ATOM 1427 CG GLN A 96 5.759 -4.030 -5.409 1.00 0.00 C ATOM 1428 CD GLN A 96 6.534 -3.564 -6.643 1.00 0.00 C ATOM 1429 OE1 GLN A 96 7.693 -3.890 -6.839 1.00 0.00 O ATOM 1430 NE2 GLN A 96 5.832 -2.784 -7.460 1.00 0.00 N ATOM 0 H GLN A 96 4.266 -1.625 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 96 4.973 -4.430 -2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.636 -2.373 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.207 -3.943 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.810 -5.116 -5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.706 -3.768 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.865 -2.550 -7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.261 -2.420 -8.311 1.00 0.00 H new ATOM 1439 N SER A 97 6.299 -3.778 -0.865 1.00 0.00 N ATOM 1440 CA SER A 97 6.886 -3.407 0.411 1.00 0.00 C ATOM 1441 C SER A 97 7.896 -2.275 0.214 1.00 0.00 C ATOM 1442 O SER A 97 8.785 -2.371 -0.631 1.00 0.00 O ATOM 1443 CB SER A 97 7.559 -4.608 1.078 1.00 0.00 C ATOM 1444 OG SER A 97 8.919 -4.750 0.674 1.00 0.00 O ATOM 0 H SER A 97 6.250 -4.782 -1.036 1.00 0.00 H new ATOM 0 HA SER A 97 6.087 -3.062 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.512 -4.494 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.010 -5.516 0.829 1.00 0.00 H new ATOM 0 HG SER A 97 9.314 -5.527 1.123 1.00 0.00 H new ATOM 1450 N GLY A 98 7.725 -1.227 1.007 1.00 0.00 N ATOM 1451 CA GLY A 98 8.610 -0.078 0.930 1.00 0.00 C ATOM 1452 C GLY A 98 7.930 1.091 0.215 1.00 0.00 C ATOM 1453 O GLY A 98 8.074 2.243 0.623 1.00 0.00 O ATOM 0 H GLY A 98 6.986 -1.150 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.904 0.227 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.522 -0.352 0.400 1.00 0.00 H new ATOM 1457 N MET A 99 7.202 0.755 -0.840 1.00 0.00 N ATOM 1458 CA MET A 99 6.499 1.762 -1.616 1.00 0.00 C ATOM 1459 C MET A 99 5.780 2.756 -0.702 1.00 0.00 C ATOM 1460 O MET A 99 5.263 2.377 0.348 1.00 0.00 O ATOM 1461 CB MET A 99 5.480 1.082 -2.533 1.00 0.00 C ATOM 1462 CG MET A 99 6.171 0.426 -3.730 1.00 0.00 C ATOM 1463 SD MET A 99 5.675 1.238 -5.240 1.00 0.00 S ATOM 1464 CE MET A 99 4.771 -0.088 -6.022 1.00 0.00 C ATOM 0 H MET A 99 7.084 -0.201 -1.175 1.00 0.00 H new ATOM 0 HA MET A 99 7.229 2.309 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.925 0.330 -1.972 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.755 1.816 -2.885 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.253 0.486 -3.614 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.913 -0.632 -3.775 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.962 -0.075 -7.095 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.094 -1.043 -5.607 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.704 0.043 -5.842 1.00 0.00 H new ATOM 1474 N ARG A 100 5.771 4.009 -1.134 1.00 0.00 N ATOM 1475 CA ARG A 100 5.124 5.060 -0.367 1.00 0.00 C ATOM 1476 C ARG A 100 3.718 5.323 -0.909 1.00 0.00 C ATOM 1477 O ARG A 100 3.524 5.430 -2.119 1.00 0.00 O ATOM 1478 CB ARG A 100 5.934 6.357 -0.418 1.00 0.00 C ATOM 1479 CG ARG A 100 6.675 6.592 0.900 1.00 0.00 C ATOM 1480 CD ARG A 100 7.590 7.815 0.803 1.00 0.00 C ATOM 1481 NE ARG A 100 8.922 7.411 0.299 1.00 0.00 N ATOM 1482 CZ ARG A 100 9.772 8.238 -0.325 1.00 0.00 C ATOM 1483 NH1 ARG A 100 9.434 9.519 -0.526 1.00 0.00 N ATOM 1484 NH2 ARG A 100 10.960 7.784 -0.748 1.00 0.00 N ATOM 0 H ARG A 100 6.201 4.320 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 100 5.061 4.725 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.650 6.311 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.270 7.197 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.955 6.735 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.265 5.711 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.150 8.557 0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.689 8.284 1.782 1.00 0.00 H new ATOM 0 HE ARG A 100 9.211 6.442 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.530 9.864 -0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.081 10.149 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.217 6.809 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.607 8.414 -1.223 1.00 0.00 H new ATOM 1498 N LEU A 101 2.771 5.421 0.014 1.00 0.00 N ATOM 1499 CA LEU A 101 1.389 5.670 -0.357 1.00 0.00 C ATOM 1500 C LEU A 101 1.002 7.092 0.058 1.00 0.00 C ATOM 1501 O LEU A 101 0.828 7.371 1.243 1.00 0.00 O ATOM 1502 CB LEU A 101 0.475 4.590 0.227 1.00 0.00 C ATOM 1503 CG LEU A 101 0.113 3.439 -0.714 1.00 0.00 C ATOM 1504 CD1 LEU A 101 0.777 2.136 -0.265 1.00 0.00 C ATOM 1505 CD2 LEU A 101 -1.405 3.294 -0.844 1.00 0.00 C ATOM 0 H LEU A 101 2.934 5.332 1.017 1.00 0.00 H new ATOM 0 HA LEU A 101 1.268 5.608 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.957 4.173 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.448 5.064 0.561 1.00 0.00 H new ATOM 0 HG LEU A 101 0.500 3.673 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.504 1.334 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.860 2.261 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.441 1.884 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.635 2.469 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.837 3.093 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.826 4.217 -1.243 1.00 0.00 H new ATOM 1517 N GLN A 102 0.880 7.953 -0.942 1.00 0.00 N ATOM 1518 CA GLN A 102 0.518 9.338 -0.696 1.00 0.00 C ATOM 1519 C GLN A 102 -0.925 9.595 -1.135 1.00 0.00 C ATOM 1520 O GLN A 102 -1.271 9.384 -2.296 1.00 0.00 O ATOM 1521 CB GLN A 102 1.484 10.291 -1.403 1.00 0.00 C ATOM 1522 CG GLN A 102 1.138 11.750 -1.097 1.00 0.00 C ATOM 1523 CD GLN A 102 2.267 12.685 -1.535 1.00 0.00 C ATOM 1524 OE1 GLN A 102 3.442 12.379 -1.418 1.00 0.00 O ATOM 1525 NE2 GLN A 102 1.846 13.839 -2.045 1.00 0.00 N ATOM 0 H GLN A 102 1.025 7.718 -1.924 1.00 0.00 H new ATOM 0 HA GLN A 102 0.591 9.528 0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.505 10.081 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.444 10.122 -2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.215 12.024 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.957 11.868 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.847 14.032 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.522 14.531 -2.367 1.00 0.00 H new ATOM 1534 N PHE A 103 -1.728 10.048 -0.183 1.00 0.00 N ATOM 1535 CA PHE A 103 -3.125 10.336 -0.457 1.00 0.00 C ATOM 1536 C PHE A 103 -3.390 11.843 -0.431 1.00 0.00 C ATOM 1537 O PHE A 103 -3.807 12.386 0.590 1.00 0.00 O ATOM 1538 CB PHE A 103 -3.944 9.667 0.649 1.00 0.00 C ATOM 1539 CG PHE A 103 -3.522 8.229 0.954 1.00 0.00 C ATOM 1540 CD1 PHE A 103 -2.927 7.476 -0.010 1.00 0.00 C ATOM 1541 CD2 PHE A 103 -3.742 7.702 2.188 1.00 0.00 C ATOM 1542 CE1 PHE A 103 -2.535 6.141 0.272 1.00 0.00 C ATOM 1543 CE2 PHE A 103 -3.350 6.367 2.471 1.00 0.00 C ATOM 1544 CZ PHE A 103 -2.754 5.615 1.507 1.00 0.00 C ATOM 0 H PHE A 103 -1.437 10.223 0.779 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.395 9.964 -1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.859 10.260 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -4.996 9.673 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.753 7.894 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.215 8.299 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.063 5.543 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.525 5.949 3.451 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.455 4.600 1.722 1.00 0.00 H new ATOM 1554 N GLY A 104 -3.135 12.475 -1.567 1.00 0.00 N ATOM 1555 CA GLY A 104 -3.340 13.909 -1.688 1.00 0.00 C ATOM 1556 C GLY A 104 -2.006 14.657 -1.669 1.00 0.00 C ATOM 1557 O GLY A 104 -1.382 14.846 -2.712 1.00 0.00 O ATOM 0 H GLY A 104 -2.788 12.021 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.870 14.127 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.970 14.260 -0.870 1.00 0.00 H new ATOM 1561 N THR A 105 -1.608 15.063 -0.472 1.00 0.00 N ATOM 1562 CA THR A 105 -0.359 15.786 -0.304 1.00 0.00 C ATOM 1563 C THR A 105 -0.176 16.201 1.157 1.00 0.00 C ATOM 1564 O THR A 105 -0.030 17.385 1.456 1.00 0.00 O ATOM 1565 CB THR A 105 -0.364 16.969 -1.275 1.00 0.00 C ATOM 1566 OG1 THR A 105 0.652 17.833 -0.774 1.00 0.00 O ATOM 1567 CG2 THR A 105 -1.643 17.802 -1.178 1.00 0.00 C ATOM 0 H THR A 105 -2.129 14.905 0.391 1.00 0.00 H new ATOM 0 HA THR A 105 0.498 15.156 -0.540 1.00 0.00 H new ATOM 0 HB THR A 105 -0.248 16.602 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.420 18.119 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.594 18.628 -1.888 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.504 17.175 -1.410 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.744 18.198 -0.167 1.00 0.00 H new ATOM 1575 N SER A 106 -0.188 15.203 2.028 1.00 0.00 N ATOM 1576 CA SER A 106 -0.025 15.449 3.451 1.00 0.00 C ATOM 1577 C SER A 106 0.161 14.124 4.193 1.00 0.00 C ATOM 1578 O SER A 106 0.985 14.027 5.101 1.00 0.00 O ATOM 1579 CB SER A 106 -1.223 16.212 4.019 1.00 0.00 C ATOM 1580 OG SER A 106 -2.399 15.408 4.056 1.00 0.00 O ATOM 0 H SER A 106 -0.308 14.222 1.776 1.00 0.00 H new ATOM 0 HA SER A 106 0.863 16.065 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.988 16.558 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.409 17.099 3.413 1.00 0.00 H new ATOM 0 HG SER A 106 -3.095 15.870 4.568 1.00 0.00 H new ATOM 1586 N HIS A 107 -0.619 13.136 3.779 1.00 0.00 N ATOM 1587 CA HIS A 107 -0.551 11.821 4.393 1.00 0.00 C ATOM 1588 C HIS A 107 0.280 10.885 3.513 1.00 0.00 C ATOM 1589 O HIS A 107 -0.133 10.538 2.407 1.00 0.00 O ATOM 1590 CB HIS A 107 -1.954 11.279 4.675 1.00 0.00 C ATOM 1591 CG HIS A 107 -2.791 12.173 5.558 1.00 0.00 C ATOM 1592 ND1 HIS A 107 -2.670 12.191 6.937 1.00 0.00 N ATOM 1593 CD2 HIS A 107 -3.762 13.079 5.245 1.00 0.00 C ATOM 1594 CE1 HIS A 107 -3.534 13.071 7.422 1.00 0.00 C ATOM 1595 NE2 HIS A 107 -4.210 13.620 6.372 1.00 0.00 N ATOM 0 H HIS A 107 -1.301 13.220 3.026 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.052 11.893 5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -2.473 11.132 3.728 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.866 10.300 5.146 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -4.108 13.316 4.250 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -3.678 13.311 8.465 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -4.940 14.329 6.441 1.00 0.00 H new ATOM 1603 N VAL A 108 1.436 10.505 4.036 1.00 0.00 N ATOM 1604 CA VAL A 108 2.329 9.616 3.311 1.00 0.00 C ATOM 1605 C VAL A 108 2.643 8.396 4.179 1.00 0.00 C ATOM 1606 O VAL A 108 3.206 8.530 5.264 1.00 0.00 O ATOM 1607 CB VAL A 108 3.582 10.377 2.873 1.00 0.00 C ATOM 1608 CG1 VAL A 108 4.717 9.411 2.527 1.00 0.00 C ATOM 1609 CG2 VAL A 108 3.277 11.308 1.698 1.00 0.00 C ATOM 0 H VAL A 108 1.775 10.796 4.953 1.00 0.00 H new ATOM 0 HA VAL A 108 1.851 9.253 2.401 1.00 0.00 H new ATOM 0 HB VAL A 108 3.909 10.993 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.596 9.978 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.962 8.809 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.403 8.757 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.185 11.836 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.912 10.722 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.516 12.030 1.994 1.00 0.00 H new ATOM 1619 N PHE A 109 2.264 7.234 3.669 1.00 0.00 N ATOM 1620 CA PHE A 109 2.498 5.991 4.384 1.00 0.00 C ATOM 1621 C PHE A 109 3.392 5.051 3.572 1.00 0.00 C ATOM 1622 O PHE A 109 3.496 5.186 2.354 1.00 0.00 O ATOM 1623 CB PHE A 109 1.134 5.328 4.587 1.00 0.00 C ATOM 1624 CG PHE A 109 0.096 6.232 5.255 1.00 0.00 C ATOM 1625 CD1 PHE A 109 0.252 6.602 6.554 1.00 0.00 C ATOM 1626 CD2 PHE A 109 -0.982 6.667 4.549 1.00 0.00 C ATOM 1627 CE1 PHE A 109 -0.712 7.441 7.174 1.00 0.00 C ATOM 1628 CE2 PHE A 109 -1.946 7.506 5.169 1.00 0.00 C ATOM 1629 CZ PHE A 109 -1.790 7.875 6.468 1.00 0.00 C ATOM 0 H PHE A 109 1.796 7.127 2.769 1.00 0.00 H new ATOM 0 HA PHE A 109 2.997 6.195 5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.751 5.005 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.264 4.431 5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.109 6.258 7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.105 6.374 3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.589 7.734 8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.803 7.851 4.609 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.523 8.513 6.940 1.00 0.00 H new ATOM 1639 N LYS A 110 4.015 4.121 4.281 1.00 0.00 N ATOM 1640 CA LYS A 110 4.897 3.159 3.642 1.00 0.00 C ATOM 1641 C LYS A 110 4.269 1.766 3.720 1.00 0.00 C ATOM 1642 O LYS A 110 4.063 1.235 4.810 1.00 0.00 O ATOM 1643 CB LYS A 110 6.301 3.235 4.246 1.00 0.00 C ATOM 1644 CG LYS A 110 6.944 1.849 4.315 1.00 0.00 C ATOM 1645 CD LYS A 110 8.305 1.910 5.012 1.00 0.00 C ATOM 1646 CE LYS A 110 8.575 0.626 5.799 1.00 0.00 C ATOM 1647 NZ LYS A 110 9.869 0.719 6.513 1.00 0.00 N ATOM 0 H LYS A 110 3.927 4.013 5.291 1.00 0.00 H new ATOM 0 HA LYS A 110 5.016 3.396 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.923 3.899 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.248 3.665 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.287 1.166 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.065 1.450 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.091 2.059 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.335 2.767 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.770 0.454 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.587 -0.228 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.037 -0.160 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.636 0.861 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.844 1.522 7.174 1.00 0.00 H new ATOM 1661 N PHE A 111 3.982 1.214 2.550 1.00 0.00 N ATOM 1662 CA PHE A 111 3.381 -0.106 2.473 1.00 0.00 C ATOM 1663 C PHE A 111 4.428 -1.199 2.701 1.00 0.00 C ATOM 1664 O PHE A 111 5.459 -1.225 2.031 1.00 0.00 O ATOM 1665 CB PHE A 111 2.806 -0.254 1.063 1.00 0.00 C ATOM 1666 CG PHE A 111 2.230 -1.641 0.768 1.00 0.00 C ATOM 1667 CD1 PHE A 111 3.061 -2.711 0.652 1.00 0.00 C ATOM 1668 CD2 PHE A 111 0.888 -1.803 0.622 1.00 0.00 C ATOM 1669 CE1 PHE A 111 2.527 -3.998 0.378 1.00 0.00 C ATOM 1670 CE2 PHE A 111 0.354 -3.090 0.349 1.00 0.00 C ATOM 1671 CZ PHE A 111 1.185 -4.160 0.232 1.00 0.00 C ATOM 0 H PHE A 111 4.155 1.657 1.648 1.00 0.00 H new ATOM 0 HA PHE A 111 2.613 -0.210 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.023 0.491 0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.589 -0.035 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.127 -2.582 0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.228 -0.953 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.187 -4.848 0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.712 -3.219 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.779 -5.139 0.023 1.00 0.00 H new ATOM 1681 N VAL A 112 4.127 -2.074 3.649 1.00 0.00 N ATOM 1682 CA VAL A 112 5.029 -3.166 3.973 1.00 0.00 C ATOM 1683 C VAL A 112 4.247 -4.481 3.988 1.00 0.00 C ATOM 1684 O VAL A 112 3.076 -4.507 4.364 1.00 0.00 O ATOM 1685 CB VAL A 112 5.742 -2.880 5.297 1.00 0.00 C ATOM 1686 CG1 VAL A 112 6.373 -4.153 5.865 1.00 0.00 C ATOM 1687 CG2 VAL A 112 6.788 -1.777 5.128 1.00 0.00 C ATOM 0 H VAL A 112 3.271 -2.049 4.203 1.00 0.00 H new ATOM 0 HA VAL A 112 5.805 -3.258 3.213 1.00 0.00 H new ATOM 0 HB VAL A 112 4.997 -2.528 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.873 -3.923 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 112 5.596 -4.897 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 112 7.100 -4.547 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.280 -1.593 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 112 7.529 -2.088 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.301 -0.863 4.789 1.00 0.00 H new ATOM 1697 N ASP A 113 4.925 -5.541 3.574 1.00 0.00 N ATOM 1698 CA ASP A 113 4.309 -6.856 3.534 1.00 0.00 C ATOM 1699 C ASP A 113 4.942 -7.744 4.607 1.00 0.00 C ATOM 1700 O ASP A 113 6.045 -8.256 4.421 1.00 0.00 O ATOM 1701 CB ASP A 113 4.526 -7.526 2.176 1.00 0.00 C ATOM 1702 CG ASP A 113 4.248 -9.030 2.145 1.00 0.00 C ATOM 1703 OD1 ASP A 113 5.015 -9.763 2.806 1.00 0.00 O ATOM 1704 OD2 ASP A 113 3.275 -9.413 1.461 1.00 0.00 O ATOM 0 H ASP A 113 5.896 -5.516 3.263 1.00 0.00 H new ATOM 0 HA ASP A 113 3.240 -6.732 3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 113 3.886 -7.038 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.557 -7.356 1.864 1.00 0.00 H new ATOM 1709 N PRO A 114 4.199 -7.904 5.734 1.00 0.00 N ATOM 1710 CA PRO A 114 4.676 -8.722 6.836 1.00 0.00 C ATOM 1711 C PRO A 114 4.558 -10.211 6.505 1.00 0.00 C ATOM 1712 O PRO A 114 4.980 -11.060 7.289 1.00 0.00 O ATOM 1713 CB PRO A 114 3.828 -8.309 8.028 1.00 0.00 C ATOM 1714 CG PRO A 114 2.604 -7.618 7.450 1.00 0.00 C ATOM 1715 CD PRO A 114 2.888 -7.313 5.988 1.00 0.00 C ATOM 0 HA PRO A 114 5.735 -8.570 7.046 1.00 0.00 H new ATOM 0 HB2 PRO A 114 3.542 -9.176 8.623 1.00 0.00 H new ATOM 0 HB3 PRO A 114 4.380 -7.639 8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 114 1.726 -8.257 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 114 2.390 -6.700 7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 114 2.127 -7.744 5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 114 2.895 -6.239 5.802 1.00 0.00 H new ATOM 1723 N SER A 115 3.983 -10.482 5.343 1.00 0.00 N ATOM 1724 CA SER A 115 3.804 -11.854 4.899 1.00 0.00 C ATOM 1725 C SER A 115 5.167 -12.516 4.684 1.00 0.00 C ATOM 1726 O SER A 115 5.365 -13.672 5.057 1.00 0.00 O ATOM 1727 CB SER A 115 2.977 -11.914 3.613 1.00 0.00 C ATOM 1728 OG SER A 115 1.577 -11.875 3.877 1.00 0.00 O ATOM 0 H SER A 115 3.635 -9.775 4.695 1.00 0.00 H new ATOM 0 HA SER A 115 3.261 -12.396 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.248 -11.078 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.218 -12.827 3.069 1.00 0.00 H new ATOM 0 HG SER A 115 1.083 -11.914 3.031 1.00 0.00 H new