USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 961 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 100 TYR OH : rot 180:sc=-0.00168 USER MOD Set 1.2: A 104 MET CE :methyl -104:sc= -3.6! (180deg=-4.32!) USER MOD Set 2.1: A 55 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.0018) USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.6!) USER MOD Set 4.1: A 41 SER OG : rot 120:sc= -0.739 USER MOD Set 4.2: A 56 GLN : amide:sc= -3.9! C(o=-4.6!,f=-0.26!) USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= -1.38 (180deg=-1.45) USER MOD Single : A 14 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-4.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 31 HIS : no HE2:sc= -0.809! C(o=-0.81!,f=-6.6!) USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= 0.173 (180deg=-0.394) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0.063 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 46 GLN : amide:sc= -3.02 K(o=-3,f=-9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -65:sc= 0.613 USER MOD Single : A 69 ASN : amide:sc= -3.42! C(o=-3.4!,f=-17!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.00769 X(o=-0.0077,f=-0.0077) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -0:sc= 0.414 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= -1.65 (180deg=-1.66) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 165:sc= -4.7! (180deg=-5.61!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -120:sc= -1.03 USER MOD Single : A 95 GLN : amide:sc= -3.95 K(o=-4,f=-5.1!) USER MOD Single : A 98 GLN : amide:sc= -0.578 K(o=-0.58,f=-4.4!) USER MOD Single : A 99 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.5!) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 71:sc= 0.236 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -125:sc= -3.87 (180deg=-8.52!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.126 -3.548 9.212 1.00 0.00 N ATOM 67 CA ILE A 8 14.775 -3.002 9.232 1.00 0.00 C ATOM 68 C ILE A 8 13.910 -3.636 8.148 1.00 0.00 C ATOM 69 O ILE A 8 14.313 -3.762 6.992 1.00 0.00 O ATOM 70 CB ILE A 8 14.782 -1.474 9.038 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.591 -0.801 10.149 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.359 -0.937 9.011 1.00 0.00 C ATOM 73 CD1 ILE A 8 15.410 0.700 10.204 1.00 0.00 C ATOM 0 HA ILE A 8 14.356 -3.234 10.211 1.00 0.00 H new ATOM 0 HB ILE A 8 15.253 -1.246 8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.301 -1.229 11.109 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.648 -1.026 10.005 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.381 0.144 8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.812 -1.397 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.863 -1.173 9.953 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.013 1.110 11.015 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.727 1.140 9.258 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.360 0.934 10.379 1.00 0.00 H new ATOM 85 N PRO A 9 12.690 -4.045 8.528 1.00 0.00 N ATOM 86 CA PRO A 9 11.741 -4.671 7.603 1.00 0.00 C ATOM 87 C PRO A 9 11.198 -3.685 6.575 1.00 0.00 C ATOM 88 O PRO A 9 10.240 -2.960 6.842 1.00 0.00 O ATOM 89 CB PRO A 9 10.618 -5.157 8.523 1.00 0.00 C ATOM 90 CG PRO A 9 10.689 -4.264 9.713 1.00 0.00 C ATOM 91 CD PRO A 9 12.143 -3.926 9.890 1.00 0.00 C ATOM 0 HA PRO A 9 12.205 -5.465 7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.647 -5.087 8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.759 -6.201 8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.095 -3.363 9.561 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.293 -4.761 10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.276 -2.921 10.290 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.633 -4.611 10.581 1.00 0.00 H new ATOM 99 N GLU A 10 11.815 -3.664 5.398 1.00 0.00 N ATOM 100 CA GLU A 10 11.392 -2.766 4.330 1.00 0.00 C ATOM 101 C GLU A 10 10.920 -3.554 3.111 1.00 0.00 C ATOM 102 O GLU A 10 11.517 -4.566 2.743 1.00 0.00 O ATOM 103 CB GLU A 10 12.539 -1.832 3.934 1.00 0.00 C ATOM 104 CG GLU A 10 12.916 -0.838 5.019 1.00 0.00 C ATOM 105 CD GLU A 10 14.335 -0.325 4.873 1.00 0.00 C ATOM 106 OE1 GLU A 10 15.232 -1.138 4.569 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.548 0.892 5.061 1.00 0.00 O ATOM 0 H GLU A 10 12.609 -4.258 5.160 1.00 0.00 H new ATOM 0 HA GLU A 10 10.558 -2.170 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.414 -2.431 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.257 -1.285 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.225 0.004 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.803 -1.311 5.995 1.00 0.00 H new ATOM 114 N LEU A 11 9.844 -3.082 2.490 1.00 0.00 N ATOM 115 CA LEU A 11 9.290 -3.742 1.313 1.00 0.00 C ATOM 116 C LEU A 11 9.649 -2.980 0.042 1.00 0.00 C ATOM 117 O LEU A 11 9.793 -1.757 0.057 1.00 0.00 O ATOM 118 CB LEU A 11 7.770 -3.860 1.439 1.00 0.00 C ATOM 119 CG LEU A 11 7.247 -5.143 2.085 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.948 -4.875 2.829 1.00 0.00 C ATOM 121 CD2 LEU A 11 7.048 -6.226 1.035 1.00 0.00 C ATOM 0 H LEU A 11 9.338 -2.246 2.782 1.00 0.00 H new ATOM 0 HA LEU A 11 9.722 -4.741 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.407 -3.011 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.335 -3.775 0.443 1.00 0.00 H new ATOM 0 HG LEU A 11 7.988 -5.493 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.591 -5.800 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.121 -4.132 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.199 -4.500 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.675 -7.132 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.327 -5.885 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.999 -6.438 0.547 1.00 0.00 H new ATOM 133 N LYS A 12 9.791 -3.710 -1.059 1.00 0.00 N ATOM 134 CA LYS A 12 10.130 -3.104 -2.341 1.00 0.00 C ATOM 135 C LYS A 12 9.284 -3.695 -3.464 1.00 0.00 C ATOM 136 O LYS A 12 9.506 -4.829 -3.890 1.00 0.00 O ATOM 137 CB LYS A 12 11.616 -3.306 -2.648 1.00 0.00 C ATOM 138 CG LYS A 12 12.534 -2.885 -1.513 1.00 0.00 C ATOM 139 CD LYS A 12 12.943 -1.427 -1.639 1.00 0.00 C ATOM 140 CE LYS A 12 14.222 -1.275 -2.448 1.00 0.00 C ATOM 141 NZ LYS A 12 14.241 -2.179 -3.631 1.00 0.00 N ATOM 0 H LYS A 12 9.676 -4.723 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 12 9.920 -2.036 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.792 -4.357 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.874 -2.739 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.030 -3.041 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.424 -3.515 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.141 -0.863 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.087 -1.001 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.321 -0.241 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.081 -1.490 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.105 -2.009 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.223 -3.169 -3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.408 -1.991 -4.225 1.00 0.00 H new ATOM 155 N ASP A 13 8.315 -2.921 -3.939 1.00 0.00 N ATOM 156 CA ASP A 13 7.436 -3.368 -5.014 1.00 0.00 C ATOM 157 C ASP A 13 6.527 -2.235 -5.478 1.00 0.00 C ATOM 158 O ASP A 13 6.200 -1.331 -4.708 1.00 0.00 O ATOM 159 CB ASP A 13 6.594 -4.558 -4.552 1.00 0.00 C ATOM 160 CG ASP A 13 7.322 -5.878 -4.710 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.688 -6.220 -5.854 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.524 -6.571 -3.690 1.00 0.00 O ATOM 0 H ASP A 13 8.118 -1.981 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 13 8.058 -3.678 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.319 -4.421 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.667 -4.587 -5.124 1.00 0.00 H new ATOM 167 N HIS A 14 6.121 -2.289 -6.743 1.00 0.00 N ATOM 168 CA HIS A 14 5.249 -1.267 -7.311 1.00 0.00 C ATOM 169 C HIS A 14 3.864 -1.836 -7.603 1.00 0.00 C ATOM 170 O HIS A 14 3.708 -2.710 -8.457 1.00 0.00 O ATOM 171 CB HIS A 14 5.861 -0.699 -8.592 1.00 0.00 C ATOM 172 CG HIS A 14 4.874 0.019 -9.460 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.420 -0.487 -10.660 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.252 1.210 -9.296 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.562 0.363 -11.197 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.442 1.401 -10.389 1.00 0.00 N ATOM 0 H HIS A 14 6.382 -3.030 -7.394 1.00 0.00 H new ATOM 0 HA HIS A 14 5.146 -0.465 -6.580 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.666 -0.013 -8.327 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.310 -1.512 -9.162 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.370 1.885 -8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.047 0.231 -12.137 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.845 2.212 -10.550 1.00 0.00 H new ATOM 185 N LEU A 15 2.862 -1.335 -6.890 1.00 0.00 N ATOM 186 CA LEU A 15 1.489 -1.794 -7.072 1.00 0.00 C ATOM 187 C LEU A 15 0.770 -0.955 -8.124 1.00 0.00 C ATOM 188 O LEU A 15 1.372 -0.090 -8.760 1.00 0.00 O ATOM 189 CB LEU A 15 0.729 -1.730 -5.746 1.00 0.00 C ATOM 190 CG LEU A 15 1.406 -2.403 -4.551 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.022 -1.704 -3.256 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.038 -3.879 -4.492 1.00 0.00 C ATOM 0 H LEU A 15 2.974 -0.611 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 15 1.520 -2.828 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.558 -0.682 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.250 -2.188 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 15 2.486 -2.322 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.513 -2.197 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.336 -0.661 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.059 -1.752 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.528 -4.342 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.042 -3.981 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.364 -4.372 -5.408 1.00 0.00 H new ATOM 204 N ARG A 16 -0.522 -1.216 -8.299 1.00 0.00 N ATOM 205 CA ARG A 16 -1.323 -0.485 -9.273 1.00 0.00 C ATOM 206 C ARG A 16 -1.795 0.847 -8.699 1.00 0.00 C ATOM 207 O ARG A 16 -2.561 0.882 -7.735 1.00 0.00 O ATOM 208 CB ARG A 16 -2.529 -1.322 -9.705 1.00 0.00 C ATOM 209 CG ARG A 16 -2.224 -2.291 -10.836 1.00 0.00 C ATOM 210 CD ARG A 16 -1.141 -3.284 -10.442 1.00 0.00 C ATOM 211 NE ARG A 16 -0.744 -4.133 -11.562 1.00 0.00 N ATOM 212 CZ ARG A 16 0.298 -4.956 -11.527 1.00 0.00 C ATOM 213 NH1 ARG A 16 1.043 -5.041 -10.433 1.00 0.00 N ATOM 214 NH2 ARG A 16 0.596 -5.697 -12.586 1.00 0.00 N ATOM 0 H ARG A 16 -1.035 -1.928 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.697 -0.285 -10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.897 -1.883 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.332 -0.654 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.131 -2.830 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.906 -1.735 -11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.271 -2.743 -10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.501 -3.908 -9.624 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.297 -4.092 -12.418 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.816 -4.474 -9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.843 -5.674 -10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.025 -5.635 -13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.396 -6.329 -12.558 1.00 0.00 H new ATOM 228 N ILE A 17 -1.332 1.940 -9.296 1.00 0.00 N ATOM 229 CA ILE A 17 -1.708 3.274 -8.844 1.00 0.00 C ATOM 230 C ILE A 17 -2.475 4.026 -9.926 1.00 0.00 C ATOM 231 O ILE A 17 -1.993 4.184 -11.048 1.00 0.00 O ATOM 232 CB ILE A 17 -0.472 4.100 -8.439 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.068 3.622 -7.090 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.819 5.580 -8.383 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.298 4.373 -6.631 1.00 0.00 C ATOM 0 H ILE A 17 -0.696 1.928 -10.093 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.349 3.142 -7.973 1.00 0.00 H new ATOM 0 HB ILE A 17 0.304 3.957 -9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.713 3.727 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.305 2.560 -7.158 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.064 6.150 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.161 5.911 -9.364 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.609 5.741 -7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.625 3.981 -5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.095 4.248 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.061 5.432 -6.530 1.00 0.00 H new ATOM 247 N PHE A 18 -3.672 4.490 -9.582 1.00 0.00 N ATOM 248 CA PHE A 18 -4.506 5.226 -10.524 1.00 0.00 C ATOM 249 C PHE A 18 -5.103 6.468 -9.867 1.00 0.00 C ATOM 250 O PHE A 18 -5.583 6.414 -8.734 1.00 0.00 O ATOM 251 CB PHE A 18 -5.626 4.329 -11.055 1.00 0.00 C ATOM 252 CG PHE A 18 -6.844 5.089 -11.498 1.00 0.00 C ATOM 253 CD1 PHE A 18 -6.793 5.922 -12.603 1.00 0.00 C ATOM 254 CD2 PHE A 18 -8.040 4.970 -10.808 1.00 0.00 C ATOM 255 CE1 PHE A 18 -7.912 6.623 -13.013 1.00 0.00 C ATOM 256 CE2 PHE A 18 -9.162 5.667 -11.213 1.00 0.00 C ATOM 257 CZ PHE A 18 -9.097 6.496 -12.317 1.00 0.00 C ATOM 0 H PHE A 18 -4.086 4.369 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.878 5.543 -11.356 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.247 3.746 -11.894 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.912 3.620 -10.278 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.868 6.025 -13.151 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.096 4.325 -9.944 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.859 7.269 -13.877 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -10.089 5.564 -10.668 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.972 7.044 -12.635 1.00 0.00 H new ATOM 267 N ARG A 19 -5.067 7.585 -10.585 1.00 0.00 N ATOM 268 CA ARG A 19 -5.601 8.841 -10.072 1.00 0.00 C ATOM 269 C ARG A 19 -6.536 9.490 -11.089 1.00 0.00 C ATOM 270 O ARG A 19 -6.110 9.981 -12.134 1.00 0.00 O ATOM 271 CB ARG A 19 -4.462 9.801 -9.725 1.00 0.00 C ATOM 272 CG ARG A 19 -3.359 9.163 -8.896 1.00 0.00 C ATOM 273 CD ARG A 19 -3.637 9.290 -7.406 1.00 0.00 C ATOM 274 NE ARG A 19 -2.410 9.256 -6.616 1.00 0.00 N ATOM 275 CZ ARG A 19 -1.555 10.270 -6.541 1.00 0.00 C ATOM 276 NH1 ARG A 19 -1.793 11.393 -7.206 1.00 0.00 N ATOM 277 NH2 ARG A 19 -0.460 10.163 -5.800 1.00 0.00 N ATOM 0 H ARG A 19 -4.674 7.646 -11.524 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.170 8.622 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.032 10.190 -10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.869 10.652 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.266 8.110 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.406 9.636 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.166 10.224 -7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.295 8.480 -7.090 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.197 8.407 -6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.634 11.479 -7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.135 12.170 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.274 9.301 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.196 10.942 -5.743 1.00 0.00 H new ATOM 291 N PRO A 20 -7.840 9.491 -10.777 1.00 0.00 N ATOM 292 CA PRO A 20 -8.862 10.077 -11.651 1.00 0.00 C ATOM 293 C PRO A 20 -8.773 11.598 -11.709 1.00 0.00 C ATOM 294 O PRO A 20 -7.774 12.187 -11.296 1.00 0.00 O ATOM 295 CB PRO A 20 -10.177 9.642 -10.999 1.00 0.00 C ATOM 296 CG PRO A 20 -9.836 9.425 -9.565 1.00 0.00 C ATOM 297 CD PRO A 20 -8.418 8.923 -9.548 1.00 0.00 C ATOM 0 HA PRO A 20 -8.753 9.747 -12.684 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.946 10.406 -11.112 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.563 8.731 -11.456 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.929 10.351 -8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.512 8.702 -9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.883 9.260 -8.660 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.377 7.834 -9.551 1.00 0.00 H new ATOM 432 N TYR A 28 -2.590 3.514 -14.964 1.00 0.00 N ATOM 433 CA TYR A 28 -1.492 2.889 -14.237 1.00 0.00 C ATOM 434 C TYR A 28 -0.175 3.056 -14.989 1.00 0.00 C ATOM 435 O TYR A 28 0.029 2.460 -16.047 1.00 0.00 O ATOM 436 CB TYR A 28 -1.780 1.403 -14.015 1.00 0.00 C ATOM 437 CG TYR A 28 -3.090 1.139 -13.309 1.00 0.00 C ATOM 438 CD1 TYR A 28 -3.223 1.360 -11.944 1.00 0.00 C ATOM 439 CD2 TYR A 28 -4.196 0.667 -14.006 1.00 0.00 C ATOM 440 CE1 TYR A 28 -4.418 1.120 -11.294 1.00 0.00 C ATOM 441 CE2 TYR A 28 -5.395 0.426 -13.365 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.501 0.653 -12.009 1.00 0.00 C ATOM 443 OH TYR A 28 -6.694 0.412 -11.366 1.00 0.00 O ATOM 0 HA TYR A 28 -1.403 3.384 -13.270 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.788 0.895 -14.979 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.969 0.967 -13.432 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.377 1.726 -11.381 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.116 0.486 -15.068 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.504 1.297 -10.232 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.245 0.062 -13.923 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.355 0.088 -12.013 1.00 0.00 H new ATOM 453 N ARG A 29 0.716 3.872 -14.434 1.00 0.00 N ATOM 454 CA ARG A 29 2.013 4.119 -15.051 1.00 0.00 C ATOM 455 C ARG A 29 3.130 3.446 -14.259 1.00 0.00 C ATOM 456 O ARG A 29 3.029 3.282 -13.043 1.00 0.00 O ATOM 457 CB ARG A 29 2.278 5.623 -15.148 1.00 0.00 C ATOM 458 CG ARG A 29 3.541 5.972 -15.917 1.00 0.00 C ATOM 459 CD ARG A 29 3.288 6.007 -17.416 1.00 0.00 C ATOM 460 NE ARG A 29 3.085 4.670 -17.969 1.00 0.00 N ATOM 461 CZ ARG A 29 2.517 4.440 -19.148 1.00 0.00 C ATOM 462 NH1 ARG A 29 2.098 5.453 -19.894 1.00 0.00 N ATOM 463 NH2 ARG A 29 2.368 3.195 -19.582 1.00 0.00 N ATOM 0 H ARG A 29 0.563 4.373 -13.559 1.00 0.00 H new ATOM 0 HA ARG A 29 1.996 3.694 -16.055 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.426 6.103 -15.629 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.350 6.036 -14.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.913 6.942 -15.587 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.318 5.240 -15.695 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.411 6.621 -17.621 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.133 6.481 -17.915 1.00 0.00 H new ATOM 0 HE ARG A 29 3.396 3.869 -17.420 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.211 6.411 -19.563 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.662 5.274 -20.799 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.690 2.414 -19.010 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.932 3.019 -20.487 1.00 0.00 H new ATOM 477 N GLN A 30 4.192 3.057 -14.957 1.00 0.00 N ATOM 478 CA GLN A 30 5.326 2.399 -14.318 1.00 0.00 C ATOM 479 C GLN A 30 5.979 3.318 -13.290 1.00 0.00 C ATOM 480 O GLN A 30 6.823 4.148 -13.631 1.00 0.00 O ATOM 481 CB GLN A 30 6.355 1.976 -15.368 1.00 0.00 C ATOM 482 CG GLN A 30 7.394 1.000 -14.842 1.00 0.00 C ATOM 483 CD GLN A 30 8.511 0.744 -15.835 1.00 0.00 C ATOM 484 OE1 GLN A 30 8.423 1.137 -16.999 1.00 0.00 O ATOM 485 NE2 GLN A 30 9.569 0.084 -15.380 1.00 0.00 N ATOM 0 H GLN A 30 4.291 3.186 -15.964 1.00 0.00 H new ATOM 0 HA GLN A 30 4.957 1.512 -13.803 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.835 1.521 -16.211 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.861 2.864 -15.747 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.818 1.391 -13.917 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.908 0.056 -14.596 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.599 -0.223 -14.408 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.352 -0.116 -16.003 1.00 0.00 H new ATOM 494 N HIS A 31 5.584 3.164 -12.031 1.00 0.00 N ATOM 495 CA HIS A 31 6.132 3.980 -10.952 1.00 0.00 C ATOM 496 C HIS A 31 6.800 3.105 -9.896 1.00 0.00 C ATOM 497 O HIS A 31 6.660 1.883 -9.909 1.00 0.00 O ATOM 498 CB HIS A 31 5.029 4.822 -10.311 1.00 0.00 C ATOM 499 CG HIS A 31 4.554 5.947 -11.178 1.00 0.00 C ATOM 500 ND1 HIS A 31 5.291 6.451 -12.229 1.00 0.00 N ATOM 501 CD2 HIS A 31 3.408 6.667 -11.146 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.620 7.432 -12.805 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.473 7.583 -12.167 1.00 0.00 N ATOM 0 H HIS A 31 4.887 2.482 -11.732 1.00 0.00 H new ATOM 0 HA HIS A 31 6.884 4.644 -11.377 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.184 4.177 -10.071 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.396 5.230 -9.369 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.211 6.118 -12.517 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.594 6.544 -10.447 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.952 8.012 -13.653 1.00 0.00 H new ATOM 512 N TRP A 32 7.526 3.741 -8.983 1.00 0.00 N ATOM 513 CA TRP A 32 8.217 3.020 -7.919 1.00 0.00 C ATOM 514 C TRP A 32 7.607 3.341 -6.559 1.00 0.00 C ATOM 515 O TRP A 32 7.314 4.498 -6.257 1.00 0.00 O ATOM 516 CB TRP A 32 9.705 3.372 -7.920 1.00 0.00 C ATOM 517 CG TRP A 32 10.483 2.669 -6.849 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.220 3.249 -5.857 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.600 1.254 -6.664 1.00 0.00 C ATOM 520 NE1 TRP A 32 11.790 2.280 -5.066 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.424 1.048 -5.540 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.088 0.141 -7.337 1.00 0.00 C ATOM 523 CZ2 TRP A 32 11.746 -0.225 -5.077 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.410 -1.121 -6.876 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.231 -1.296 -5.755 1.00 0.00 C ATOM 0 H TRP A 32 7.651 4.753 -8.958 1.00 0.00 H new ATOM 0 HA TRP A 32 8.103 1.952 -8.104 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.130 3.121 -8.892 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.816 4.449 -7.792 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.338 4.313 -5.715 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.388 2.451 -4.258 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.452 0.265 -8.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.380 -0.362 -4.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.022 -1.988 -7.389 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.462 -2.296 -5.419 1.00 0.00 H new ATOM 536 N VAL A 33 7.418 2.310 -5.742 1.00 0.00 N ATOM 537 CA VAL A 33 6.844 2.483 -4.413 1.00 0.00 C ATOM 538 C VAL A 33 7.701 1.804 -3.351 1.00 0.00 C ATOM 539 O VAL A 33 8.312 0.765 -3.602 1.00 0.00 O ATOM 540 CB VAL A 33 5.413 1.916 -4.342 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.780 2.232 -2.995 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.566 2.465 -5.480 1.00 0.00 C ATOM 0 H VAL A 33 7.654 1.346 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 33 6.813 3.555 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 33 5.464 0.832 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.770 1.824 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.377 1.786 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.739 3.312 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.558 2.054 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.520 3.552 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.012 2.183 -6.434 1.00 0.00 H new ATOM 552 N VAL A 34 7.743 2.398 -2.163 1.00 0.00 N ATOM 553 CA VAL A 34 8.524 1.850 -1.061 1.00 0.00 C ATOM 554 C VAL A 34 7.789 2.006 0.265 1.00 0.00 C ATOM 555 O VAL A 34 7.364 3.103 0.627 1.00 0.00 O ATOM 556 CB VAL A 34 9.901 2.533 -0.955 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.647 2.043 0.277 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.716 2.286 -2.215 1.00 0.00 C ATOM 0 H VAL A 34 7.245 3.259 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 34 8.667 0.790 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 34 9.748 3.607 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.617 2.536 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.067 2.276 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.792 0.965 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.686 2.775 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.862 1.214 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.185 2.691 -3.077 1.00 0.00 H new ATOM 568 N PHE A 35 7.642 0.900 0.987 1.00 0.00 N ATOM 569 CA PHE A 35 6.957 0.913 2.275 1.00 0.00 C ATOM 570 C PHE A 35 7.959 0.973 3.424 1.00 0.00 C ATOM 571 O PHE A 35 8.818 0.102 3.560 1.00 0.00 O ATOM 572 CB PHE A 35 6.073 -0.328 2.418 1.00 0.00 C ATOM 573 CG PHE A 35 5.537 -0.525 3.808 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.881 0.504 4.464 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.689 -1.739 4.458 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.387 0.327 5.742 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.197 -1.923 5.736 1.00 0.00 C ATOM 578 CZ PHE A 35 4.545 -0.888 6.379 1.00 0.00 C ATOM 0 H PHE A 35 7.988 -0.016 0.702 1.00 0.00 H new ATOM 0 HA PHE A 35 6.331 1.804 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.237 -0.251 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.647 -1.209 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.754 1.456 3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.198 -2.551 3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.878 1.138 6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.322 -2.874 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.160 -1.029 7.378 1.00 0.00 H new ATOM 588 N LYS A 36 7.843 2.009 4.248 1.00 0.00 N ATOM 589 CA LYS A 36 8.737 2.185 5.386 1.00 0.00 C ATOM 590 C LYS A 36 8.006 1.918 6.698 1.00 0.00 C ATOM 591 O LYS A 36 6.781 2.008 6.766 1.00 0.00 O ATOM 592 CB LYS A 36 9.316 3.602 5.392 1.00 0.00 C ATOM 593 CG LYS A 36 10.232 3.880 6.571 1.00 0.00 C ATOM 594 CD LYS A 36 11.523 3.084 6.474 1.00 0.00 C ATOM 595 CE LYS A 36 12.559 3.579 7.472 1.00 0.00 C ATOM 596 NZ LYS A 36 13.764 2.705 7.500 1.00 0.00 N ATOM 0 H LYS A 36 7.138 2.740 4.149 1.00 0.00 H new ATOM 0 HA LYS A 36 9.551 1.467 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.869 3.763 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.496 4.320 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.462 4.945 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.718 3.630 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.316 2.029 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.924 3.161 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.854 4.596 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.115 3.618 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.794 2.183 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.722 2.030 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.619 3.290 7.411 1.00 0.00 H new ATOM 610 N GLU A 37 8.767 1.591 7.738 1.00 0.00 N ATOM 611 CA GLU A 37 8.190 1.312 9.048 1.00 0.00 C ATOM 612 C GLU A 37 6.942 2.157 9.284 1.00 0.00 C ATOM 613 O GLU A 37 5.819 1.653 9.242 1.00 0.00 O ATOM 614 CB GLU A 37 9.217 1.581 10.150 1.00 0.00 C ATOM 615 CG GLU A 37 10.456 0.706 10.055 1.00 0.00 C ATOM 616 CD GLU A 37 10.217 -0.701 10.568 1.00 0.00 C ATOM 617 OE1 GLU A 37 9.170 -1.288 10.226 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.078 -1.214 11.313 1.00 0.00 O ATOM 0 H GLU A 37 9.783 1.513 7.699 1.00 0.00 H new ATOM 0 HA GLU A 37 7.906 0.260 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.518 2.628 10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.746 1.424 11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.785 0.659 9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.264 1.164 10.625 1.00 0.00 H new ATOM 625 N THR A 38 7.146 3.447 9.533 1.00 0.00 N ATOM 626 CA THR A 38 6.038 4.362 9.778 1.00 0.00 C ATOM 627 C THR A 38 5.983 5.454 8.716 1.00 0.00 C ATOM 628 O THR A 38 5.439 6.534 8.948 1.00 0.00 O ATOM 629 CB THR A 38 6.148 5.018 11.167 1.00 0.00 C ATOM 630 OG1 THR A 38 7.525 5.182 11.524 1.00 0.00 O ATOM 631 CG2 THR A 38 5.443 4.176 12.220 1.00 0.00 C ATOM 0 H THR A 38 8.068 3.881 9.570 1.00 0.00 H new ATOM 0 HA THR A 38 5.124 3.770 9.735 1.00 0.00 H new ATOM 0 HB THR A 38 5.666 5.995 11.122 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.586 5.601 12.408 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.534 4.659 13.193 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.389 4.077 11.961 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.900 3.188 12.262 1.00 0.00 H new ATOM 639 N THR A 39 6.550 5.167 7.548 1.00 0.00 N ATOM 640 CA THR A 39 6.566 6.125 6.450 1.00 0.00 C ATOM 641 C THR A 39 6.315 5.435 5.114 1.00 0.00 C ATOM 642 O THR A 39 6.346 4.207 5.023 1.00 0.00 O ATOM 643 CB THR A 39 7.907 6.879 6.381 1.00 0.00 C ATOM 644 OG1 THR A 39 8.267 7.359 7.682 1.00 0.00 O ATOM 645 CG2 THR A 39 7.823 8.047 5.410 1.00 0.00 C ATOM 0 H THR A 39 7.004 4.278 7.339 1.00 0.00 H new ATOM 0 HA THR A 39 5.766 6.839 6.643 1.00 0.00 H new ATOM 0 HB THR A 39 8.670 6.186 6.025 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.122 7.836 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.782 8.564 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.578 7.676 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.048 8.739 5.740 1.00 0.00 H new ATOM 653 N LEU A 40 6.067 6.231 4.080 1.00 0.00 N ATOM 654 CA LEU A 40 5.812 5.696 2.747 1.00 0.00 C ATOM 655 C LEU A 40 6.036 6.762 1.680 1.00 0.00 C ATOM 656 O LEU A 40 5.630 7.913 1.843 1.00 0.00 O ATOM 657 CB LEU A 40 4.382 5.160 2.656 1.00 0.00 C ATOM 658 CG LEU A 40 4.115 4.142 1.547 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.935 3.254 1.910 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.867 4.849 0.223 1.00 0.00 C ATOM 0 H LEU A 40 6.037 7.249 4.139 1.00 0.00 H new ATOM 0 HA LEU A 40 6.512 4.879 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.126 4.702 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.707 6.005 2.516 1.00 0.00 H new ATOM 0 HG LEU A 40 4.997 3.511 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.760 2.536 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.153 2.720 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.045 3.869 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.679 4.109 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.001 5.505 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.743 5.441 -0.043 1.00 0.00 H new ATOM 672 N SER A 41 6.683 6.372 0.587 1.00 0.00 N ATOM 673 CA SER A 41 6.963 7.295 -0.507 1.00 0.00 C ATOM 674 C SER A 41 6.977 6.563 -1.846 1.00 0.00 C ATOM 675 O SER A 41 7.109 5.340 -1.895 1.00 0.00 O ATOM 676 CB SER A 41 8.305 7.995 -0.282 1.00 0.00 C ATOM 677 OG SER A 41 8.415 8.470 1.049 1.00 0.00 O ATOM 0 H SER A 41 7.024 5.423 0.435 1.00 0.00 H new ATOM 0 HA SER A 41 6.170 8.043 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.120 7.303 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.406 8.828 -0.978 1.00 0.00 H new ATOM 0 HG SER A 41 9.186 8.049 1.484 1.00 0.00 H new ATOM 683 N TYR A 42 6.840 7.320 -2.928 1.00 0.00 N ATOM 684 CA TYR A 42 6.834 6.744 -4.268 1.00 0.00 C ATOM 685 C TYR A 42 7.420 7.721 -5.283 1.00 0.00 C ATOM 686 O TYR A 42 7.456 8.929 -5.050 1.00 0.00 O ATOM 687 CB TYR A 42 5.410 6.362 -4.675 1.00 0.00 C ATOM 688 CG TYR A 42 4.557 7.544 -5.078 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.060 8.424 -4.125 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.250 7.780 -6.412 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.280 9.505 -4.489 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.472 8.859 -6.786 1.00 0.00 C ATOM 693 CZ TYR A 42 2.989 9.718 -5.820 1.00 0.00 C ATOM 694 OH TYR A 42 2.213 10.794 -6.187 1.00 0.00 O ATOM 0 H TYR A 42 6.732 8.334 -2.904 1.00 0.00 H new ATOM 0 HA TYR A 42 7.454 5.847 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.455 5.657 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.930 5.845 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.287 8.261 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.626 7.109 -7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.900 10.179 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.243 9.029 -7.828 1.00 0.00 H new ATOM 0 HH TYR A 42 2.103 10.801 -7.161 1.00 0.00 H new ATOM 704 N TYR A 43 7.878 7.188 -6.410 1.00 0.00 N ATOM 705 CA TYR A 43 8.464 8.010 -7.462 1.00 0.00 C ATOM 706 C TYR A 43 7.933 7.603 -8.832 1.00 0.00 C ATOM 707 O TYR A 43 7.236 6.597 -8.968 1.00 0.00 O ATOM 708 CB TYR A 43 9.989 7.894 -7.438 1.00 0.00 C ATOM 709 CG TYR A 43 10.562 7.719 -6.050 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.256 6.599 -5.287 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.408 8.675 -5.500 1.00 0.00 C ATOM 712 CE1 TYR A 43 10.776 6.435 -4.017 1.00 0.00 C ATOM 713 CE2 TYR A 43 11.934 8.519 -4.232 1.00 0.00 C ATOM 714 CZ TYR A 43 11.615 7.398 -3.495 1.00 0.00 C ATOM 715 OH TYR A 43 12.136 7.239 -2.231 1.00 0.00 O ATOM 0 H TYR A 43 7.855 6.190 -6.619 1.00 0.00 H new ATOM 0 HA TYR A 43 8.182 9.047 -7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.290 7.048 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.420 8.788 -7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.600 5.843 -5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.658 9.555 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.527 5.559 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.591 9.271 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 43 12.708 8.005 -2.014 1.00 0.00 H new ATOM 725 N LYS A 44 8.268 8.392 -9.848 1.00 0.00 N ATOM 726 CA LYS A 44 7.828 8.115 -11.210 1.00 0.00 C ATOM 727 C LYS A 44 8.605 6.946 -11.806 1.00 0.00 C ATOM 728 O LYS A 44 8.046 6.121 -12.529 1.00 0.00 O ATOM 729 CB LYS A 44 8.003 9.357 -12.087 1.00 0.00 C ATOM 730 CG LYS A 44 9.440 9.840 -12.178 1.00 0.00 C ATOM 731 CD LYS A 44 9.542 11.147 -12.946 1.00 0.00 C ATOM 732 CE LYS A 44 9.349 12.347 -12.032 1.00 0.00 C ATOM 733 NZ LYS A 44 10.005 13.569 -12.574 1.00 0.00 N ATOM 0 H LYS A 44 8.843 9.229 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 44 6.772 7.847 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.638 9.137 -13.090 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.383 10.161 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.844 9.974 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.050 9.081 -12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.516 11.210 -13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.791 11.166 -13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.284 12.535 -11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.757 12.122 -11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.850 14.364 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.026 13.399 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.598 13.799 -13.503 1.00 0.00 H new ATOM 747 N SER A 45 9.896 6.879 -11.496 1.00 0.00 N ATOM 748 CA SER A 45 10.750 5.812 -12.003 1.00 0.00 C ATOM 749 C SER A 45 11.733 5.349 -10.932 1.00 0.00 C ATOM 750 O SER A 45 12.106 6.115 -10.044 1.00 0.00 O ATOM 751 CB SER A 45 11.512 6.284 -13.242 1.00 0.00 C ATOM 752 OG SER A 45 12.561 5.390 -13.567 1.00 0.00 O ATOM 0 H SER A 45 10.373 7.552 -10.896 1.00 0.00 H new ATOM 0 HA SER A 45 10.114 4.970 -12.277 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.826 6.366 -14.085 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.920 7.279 -13.065 1.00 0.00 H new ATOM 0 HG SER A 45 13.031 5.713 -14.364 1.00 0.00 H new ATOM 758 N GLN A 46 12.150 4.090 -11.025 1.00 0.00 N ATOM 759 CA GLN A 46 13.090 3.524 -10.065 1.00 0.00 C ATOM 760 C GLN A 46 14.431 4.247 -10.125 1.00 0.00 C ATOM 761 O GLN A 46 15.024 4.563 -9.093 1.00 0.00 O ATOM 762 CB GLN A 46 13.289 2.031 -10.333 1.00 0.00 C ATOM 763 CG GLN A 46 12.304 1.143 -9.590 1.00 0.00 C ATOM 764 CD GLN A 46 10.971 1.026 -10.303 1.00 0.00 C ATOM 765 OE1 GLN A 46 10.415 2.021 -10.770 1.00 0.00 O ATOM 766 NE2 GLN A 46 10.450 -0.192 -10.390 1.00 0.00 N ATOM 0 H GLN A 46 11.852 3.443 -11.755 1.00 0.00 H new ATOM 0 HA GLN A 46 12.673 3.654 -9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.196 1.847 -11.403 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.303 1.751 -10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.736 0.149 -9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.143 1.544 -8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.945 -0.988 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.555 -0.331 -10.858 1.00 0.00 H new ATOM 775 N ASP A 47 14.904 4.505 -11.339 1.00 0.00 N ATOM 776 CA ASP A 47 16.176 5.192 -11.534 1.00 0.00 C ATOM 777 C ASP A 47 16.247 6.456 -10.683 1.00 0.00 C ATOM 778 O ASP A 47 17.202 6.657 -9.933 1.00 0.00 O ATOM 779 CB ASP A 47 16.368 5.545 -13.010 1.00 0.00 C ATOM 780 CG ASP A 47 16.918 4.385 -13.815 1.00 0.00 C ATOM 781 OD1 ASP A 47 16.413 3.255 -13.650 1.00 0.00 O ATOM 782 OD2 ASP A 47 17.856 4.606 -14.611 1.00 0.00 O ATOM 0 H ASP A 47 14.426 4.249 -12.203 1.00 0.00 H new ATOM 0 HA ASP A 47 16.975 4.520 -11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.413 5.857 -13.433 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.046 6.395 -13.092 1.00 0.00 H new ATOM 787 N GLU A 48 15.231 7.304 -10.805 1.00 0.00 N ATOM 788 CA GLU A 48 15.180 8.549 -10.048 1.00 0.00 C ATOM 789 C GLU A 48 15.624 8.326 -8.605 1.00 0.00 C ATOM 790 O GLU A 48 16.505 9.022 -8.101 1.00 0.00 O ATOM 791 CB GLU A 48 13.765 9.131 -10.074 1.00 0.00 C ATOM 792 CG GLU A 48 13.347 9.653 -11.438 1.00 0.00 C ATOM 793 CD GLU A 48 13.872 11.049 -11.715 1.00 0.00 C ATOM 794 OE1 GLU A 48 13.407 11.999 -11.051 1.00 0.00 O ATOM 795 OE2 GLU A 48 14.748 11.190 -12.593 1.00 0.00 O ATOM 0 H GLU A 48 14.432 7.152 -11.421 1.00 0.00 H new ATOM 0 HA GLU A 48 15.864 9.257 -10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.060 8.363 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.701 9.942 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.709 8.973 -12.209 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.259 9.659 -11.503 1.00 0.00 H new ATOM 802 N ALA A 49 15.006 7.352 -7.946 1.00 0.00 N ATOM 803 CA ALA A 49 15.337 7.036 -6.562 1.00 0.00 C ATOM 804 C ALA A 49 16.842 6.868 -6.382 1.00 0.00 C ATOM 805 O ALA A 49 17.510 6.173 -7.148 1.00 0.00 O ATOM 806 CB ALA A 49 14.607 5.776 -6.119 1.00 0.00 C ATOM 0 H ALA A 49 14.273 6.768 -8.348 1.00 0.00 H new ATOM 0 HA ALA A 49 15.013 7.869 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.864 5.552 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.531 5.931 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.903 4.942 -6.755 1.00 0.00 H new ATOM 812 N PRO A 50 17.391 7.519 -5.346 1.00 0.00 N ATOM 813 CA PRO A 50 16.607 8.350 -4.428 1.00 0.00 C ATOM 814 C PRO A 50 16.101 9.627 -5.089 1.00 0.00 C ATOM 815 O PRO A 50 14.965 10.044 -4.869 1.00 0.00 O ATOM 816 CB PRO A 50 17.602 8.683 -3.313 1.00 0.00 C ATOM 817 CG PRO A 50 18.941 8.580 -3.957 1.00 0.00 C ATOM 818 CD PRO A 50 18.821 7.496 -4.992 1.00 0.00 C ATOM 0 HA PRO A 50 15.711 7.837 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.430 9.683 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.509 7.987 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.227 9.527 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 50 19.709 8.336 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.453 7.695 -5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.121 6.526 -4.595 1.00 0.00 H new ATOM 826 N GLY A 51 16.954 10.245 -5.902 1.00 0.00 N ATOM 827 CA GLY A 51 16.574 11.469 -6.583 1.00 0.00 C ATOM 828 C GLY A 51 15.656 12.337 -5.747 1.00 0.00 C ATOM 829 O GLY A 51 16.111 13.063 -4.863 1.00 0.00 O ATOM 0 H GLY A 51 17.900 9.920 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.471 12.034 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.078 11.220 -7.521 1.00 0.00 H new ATOM 833 N ASP A 52 14.359 12.265 -6.027 1.00 0.00 N ATOM 834 CA ASP A 52 13.374 13.052 -5.294 1.00 0.00 C ATOM 835 C ASP A 52 11.998 12.396 -5.360 1.00 0.00 C ATOM 836 O ASP A 52 11.465 12.119 -6.435 1.00 0.00 O ATOM 837 CB ASP A 52 13.303 14.472 -5.857 1.00 0.00 C ATOM 838 CG ASP A 52 12.227 15.306 -5.189 1.00 0.00 C ATOM 839 OD1 ASP A 52 12.377 15.617 -3.990 1.00 0.00 O ATOM 840 OD2 ASP A 52 11.234 15.647 -5.866 1.00 0.00 O ATOM 0 H ASP A 52 13.966 11.670 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 52 13.685 13.099 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.269 14.960 -5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.110 14.426 -6.929 1.00 0.00 H new ATOM 845 N PRO A 53 11.408 12.140 -4.183 1.00 0.00 N ATOM 846 CA PRO A 53 10.087 11.513 -4.079 1.00 0.00 C ATOM 847 C PRO A 53 8.968 12.436 -4.550 1.00 0.00 C ATOM 848 O PRO A 53 8.850 13.571 -4.085 1.00 0.00 O ATOM 849 CB PRO A 53 9.947 11.224 -2.583 1.00 0.00 C ATOM 850 CG PRO A 53 10.833 12.222 -1.920 1.00 0.00 C ATOM 851 CD PRO A 53 11.984 12.443 -2.862 1.00 0.00 C ATOM 0 HA PRO A 53 10.007 10.626 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.913 11.332 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.252 10.205 -2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.299 13.153 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.183 11.854 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.354 13.467 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.824 11.788 -2.630 1.00 0.00 H new ATOM 859 N ILE A 54 8.150 11.944 -5.474 1.00 0.00 N ATOM 860 CA ILE A 54 7.041 12.725 -6.006 1.00 0.00 C ATOM 861 C ILE A 54 6.206 13.331 -4.882 1.00 0.00 C ATOM 862 O ILE A 54 5.838 14.504 -4.934 1.00 0.00 O ATOM 863 CB ILE A 54 6.128 11.869 -6.903 1.00 0.00 C ATOM 864 CG1 ILE A 54 6.833 11.542 -8.221 1.00 0.00 C ATOM 865 CG2 ILE A 54 4.814 12.590 -7.164 1.00 0.00 C ATOM 866 CD1 ILE A 54 6.135 10.472 -9.031 1.00 0.00 C ATOM 0 H ILE A 54 8.235 11.008 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 54 7.477 13.525 -6.604 1.00 0.00 H new ATOM 0 HB ILE A 54 5.910 10.934 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.906 12.450 -8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.852 11.218 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.180 11.972 -7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.307 12.777 -6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.012 13.539 -7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.690 10.292 -9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.086 9.551 -8.451 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.125 10.801 -9.275 1.00 0.00 H new ATOM 878 N GLN A 55 5.914 12.523 -3.868 1.00 0.00 N ATOM 879 CA GLN A 55 5.124 12.981 -2.731 1.00 0.00 C ATOM 880 C GLN A 55 5.310 12.057 -1.532 1.00 0.00 C ATOM 881 O GLN A 55 4.889 10.901 -1.557 1.00 0.00 O ATOM 882 CB GLN A 55 3.644 13.054 -3.108 1.00 0.00 C ATOM 883 CG GLN A 55 3.232 14.392 -3.702 1.00 0.00 C ATOM 884 CD GLN A 55 1.728 14.556 -3.784 1.00 0.00 C ATOM 885 OE1 GLN A 55 1.179 14.833 -4.850 1.00 0.00 O ATOM 886 NE2 GLN A 55 1.051 14.386 -2.654 1.00 0.00 N ATOM 0 H GLN A 55 6.212 11.549 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 55 5.471 13.977 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.421 12.264 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.042 12.859 -2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.649 15.197 -3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.659 14.489 -4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.546 14.157 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.036 14.484 -2.648 1.00 0.00 H new ATOM 895 N GLN A 56 5.945 12.574 -0.485 1.00 0.00 N ATOM 896 CA GLN A 56 6.187 11.795 0.723 1.00 0.00 C ATOM 897 C GLN A 56 5.146 12.109 1.792 1.00 0.00 C ATOM 898 O GLN A 56 4.745 13.261 1.962 1.00 0.00 O ATOM 899 CB GLN A 56 7.591 12.074 1.262 1.00 0.00 C ATOM 900 CG GLN A 56 8.702 11.673 0.305 1.00 0.00 C ATOM 901 CD GLN A 56 9.976 11.274 1.024 1.00 0.00 C ATOM 902 OE1 GLN A 56 10.474 12.006 1.880 1.00 0.00 O ATOM 903 NE2 GLN A 56 10.510 10.109 0.680 1.00 0.00 N ATOM 0 H GLN A 56 6.301 13.529 -0.449 1.00 0.00 H new ATOM 0 HA GLN A 56 6.108 10.739 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.681 13.137 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.723 11.539 2.203 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.362 10.841 -0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.914 12.504 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.063 9.534 -0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.367 9.788 1.130 1.00 0.00 H new ATOM 912 N LEU A 57 4.713 11.079 2.510 1.00 0.00 N ATOM 913 CA LEU A 57 3.718 11.245 3.563 1.00 0.00 C ATOM 914 C LEU A 57 3.944 10.240 4.689 1.00 0.00 C ATOM 915 O LEU A 57 4.567 9.199 4.489 1.00 0.00 O ATOM 916 CB LEU A 57 2.309 11.080 2.992 1.00 0.00 C ATOM 917 CG LEU A 57 2.042 11.771 1.654 1.00 0.00 C ATOM 918 CD1 LEU A 57 0.753 11.255 1.034 1.00 0.00 C ATOM 919 CD2 LEU A 57 1.980 13.281 1.838 1.00 0.00 C ATOM 0 H LEU A 57 5.035 10.120 2.382 1.00 0.00 H new ATOM 0 HA LEU A 57 3.822 12.250 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.109 10.015 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.595 11.460 3.723 1.00 0.00 H new ATOM 0 HG LEU A 57 2.864 11.540 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.580 11.758 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.834 10.181 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.080 11.455 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.789 13.757 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.177 13.530 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.929 13.638 2.238 1.00 0.00 H new ATOM 931 N ASN A 58 3.429 10.560 5.872 1.00 0.00 N ATOM 932 CA ASN A 58 3.573 9.684 7.030 1.00 0.00 C ATOM 933 C ASN A 58 2.313 8.852 7.242 1.00 0.00 C ATOM 934 O ASN A 58 1.270 9.374 7.640 1.00 0.00 O ATOM 935 CB ASN A 58 3.871 10.508 8.284 1.00 0.00 C ATOM 936 CG ASN A 58 4.627 9.713 9.331 1.00 0.00 C ATOM 937 OD1 ASN A 58 5.594 9.017 9.020 1.00 0.00 O ATOM 938 ND2 ASN A 58 4.189 9.814 10.581 1.00 0.00 N ATOM 0 H ASN A 58 2.909 11.418 6.054 1.00 0.00 H new ATOM 0 HA ASN A 58 4.406 9.007 6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.454 11.387 8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.935 10.867 8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.658 9.303 11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.384 10.403 10.793 1.00 0.00 H new ATOM 945 N LEU A 59 2.415 7.554 6.975 1.00 0.00 N ATOM 946 CA LEU A 59 1.284 6.648 7.137 1.00 0.00 C ATOM 947 C LEU A 59 0.676 6.780 8.529 1.00 0.00 C ATOM 948 O LEU A 59 -0.522 6.566 8.719 1.00 0.00 O ATOM 949 CB LEU A 59 1.724 5.203 6.895 1.00 0.00 C ATOM 950 CG LEU A 59 1.752 4.745 5.437 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.373 3.361 5.324 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.349 4.752 4.849 1.00 0.00 C ATOM 0 H LEU A 59 3.270 7.106 6.645 1.00 0.00 H new ATOM 0 HA LEU A 59 0.526 6.918 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.721 5.073 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.056 4.543 7.449 1.00 0.00 H new ATOM 0 HG LEU A 59 2.366 5.443 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.384 3.052 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.394 3.388 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.787 2.650 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.388 4.423 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.288 4.076 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.060 5.761 4.895 1.00 0.00 H new ATOM 964 N LYS A 60 1.508 7.136 9.502 1.00 0.00 N ATOM 965 CA LYS A 60 1.053 7.301 10.877 1.00 0.00 C ATOM 966 C LYS A 60 0.131 8.510 11.004 1.00 0.00 C ATOM 967 O LYS A 60 0.582 9.620 11.284 1.00 0.00 O ATOM 968 CB LYS A 60 2.251 7.459 11.817 1.00 0.00 C ATOM 969 CG LYS A 60 2.002 6.920 13.215 1.00 0.00 C ATOM 970 CD LYS A 60 1.393 7.977 14.120 1.00 0.00 C ATOM 971 CE LYS A 60 2.411 9.043 14.497 1.00 0.00 C ATOM 972 NZ LYS A 60 1.765 10.358 14.763 1.00 0.00 N ATOM 0 H LYS A 60 2.502 7.316 9.363 1.00 0.00 H new ATOM 0 HA LYS A 60 0.494 6.409 11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.110 6.945 11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.512 8.515 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.336 6.059 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.941 6.570 13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.546 8.443 13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.007 7.505 15.024 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.961 8.723 15.382 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.138 9.152 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.492 11.057 15.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.261 10.676 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.090 10.261 15.548 1.00 0.00 H new ATOM 986 N GLY A 61 -1.163 8.285 10.797 1.00 0.00 N ATOM 987 CA GLY A 61 -2.128 9.365 10.895 1.00 0.00 C ATOM 988 C GLY A 61 -3.167 9.315 9.792 1.00 0.00 C ATOM 989 O GLY A 61 -4.237 9.913 9.911 1.00 0.00 O ATOM 0 H GLY A 61 -1.560 7.375 10.563 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.627 9.316 11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.605 10.320 10.854 1.00 0.00 H new ATOM 993 N CYS A 62 -2.852 8.603 8.716 1.00 0.00 N ATOM 994 CA CYS A 62 -3.766 8.479 7.586 1.00 0.00 C ATOM 995 C CYS A 62 -4.851 7.447 7.875 1.00 0.00 C ATOM 996 O CYS A 62 -4.806 6.753 8.890 1.00 0.00 O ATOM 997 CB CYS A 62 -2.998 8.090 6.323 1.00 0.00 C ATOM 998 SG CYS A 62 -2.500 6.353 6.267 1.00 0.00 S ATOM 0 H CYS A 62 -1.970 8.103 8.602 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.243 9.446 7.428 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.617 8.307 5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.108 8.715 6.245 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.637 6.118 7.210 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.825 7.353 6.976 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.923 6.406 7.136 1.00 0.00 C ATOM 1006 C GLU A 63 -6.731 5.192 6.232 1.00 0.00 C ATOM 1007 O GLU A 63 -6.035 5.262 5.219 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.259 7.083 6.823 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.440 6.467 7.554 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.641 7.056 8.937 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -10.227 8.155 9.035 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -9.213 6.418 9.921 1.00 0.00 O ATOM 0 H GLU A 63 -5.877 7.920 6.130 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.929 6.068 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.191 8.139 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.440 7.031 5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.345 6.615 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.288 5.391 7.640 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.353 4.079 6.607 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.252 2.848 5.831 1.00 0.00 C ATOM 1021 C VAL A 64 -8.628 2.243 5.579 1.00 0.00 C ATOM 1022 O VAL A 64 -9.362 1.929 6.517 1.00 0.00 O ATOM 1023 CB VAL A 64 -6.368 1.807 6.542 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.300 0.521 5.732 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -4.975 2.368 6.784 1.00 0.00 C ATOM 0 H VAL A 64 -7.932 4.004 7.443 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.794 3.112 4.878 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.815 1.576 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.671 -0.203 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.303 0.111 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.877 0.732 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.364 1.619 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.517 2.629 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.045 3.259 7.408 1.00 0.00 H new ATOM 1035 N VAL A 65 -8.973 2.081 4.305 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.262 1.511 3.929 1.00 0.00 C ATOM 1037 C VAL A 65 -10.085 0.339 2.970 1.00 0.00 C ATOM 1038 O VAL A 65 -9.915 0.512 1.763 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.171 2.565 3.271 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.483 1.937 2.826 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.422 3.722 4.226 1.00 0.00 C ATOM 0 H VAL A 65 -8.378 2.336 3.517 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.732 1.159 4.847 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.665 2.955 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.112 2.698 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.281 1.145 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.997 1.518 3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.066 4.458 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.907 3.350 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.473 4.188 4.490 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.126 -0.885 3.518 1.00 0.00 N ATOM 1052 CA PRO A 66 -9.974 -2.111 2.729 1.00 0.00 C ATOM 1053 C PRO A 66 -11.172 -2.370 1.822 1.00 0.00 C ATOM 1054 O PRO A 66 -12.230 -2.799 2.283 1.00 0.00 O ATOM 1055 CB PRO A 66 -9.862 -3.206 3.793 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.564 -2.650 4.983 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.326 -1.166 4.950 1.00 0.00 C ATOM 0 HA PRO A 66 -9.116 -2.060 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.326 -4.133 3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.820 -3.434 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.630 -2.875 4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.177 -3.087 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.175 -0.614 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.454 -0.886 5.540 1.00 0.00 H new ATOM 1065 N ASP A 67 -10.999 -2.106 0.531 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.066 -2.312 -0.441 1.00 0.00 C ATOM 1067 C ASP A 67 -11.918 -3.664 -1.132 1.00 0.00 C ATOM 1068 O ASP A 67 -12.234 -3.807 -2.313 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.061 -1.191 -1.481 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.899 -0.001 -1.054 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -12.923 0.302 0.157 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -13.530 0.625 -1.931 1.00 0.00 O ATOM 0 H ASP A 67 -10.130 -1.749 0.134 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.017 -2.298 0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.035 -0.866 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.438 -1.576 -2.428 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.436 -4.654 -0.387 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.246 -5.995 -0.928 1.00 0.00 C ATOM 1079 C VAL A 68 -12.581 -6.707 -1.113 1.00 0.00 C ATOM 1080 O VAL A 68 -13.520 -6.495 -0.347 1.00 0.00 O ATOM 1081 CB VAL A 68 -10.345 -6.846 -0.014 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -9.085 -6.079 0.359 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -11.106 -7.276 1.232 1.00 0.00 C ATOM 0 H VAL A 68 -11.170 -4.553 0.592 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.762 -5.880 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.048 -7.742 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.461 -6.697 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.532 -5.826 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.358 -5.164 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.455 -7.877 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.434 -6.393 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.975 -7.867 0.942 1.00 0.00 H new ATOM 1093 N ASN A 69 -12.658 -7.552 -2.136 1.00 0.00 N ATOM 1094 CA ASN A 69 -13.879 -8.296 -2.422 1.00 0.00 C ATOM 1095 C ASN A 69 -13.570 -9.765 -2.693 1.00 0.00 C ATOM 1096 O ASN A 69 -13.296 -10.155 -3.828 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.603 -7.686 -3.624 1.00 0.00 C ATOM 1098 CG ASN A 69 -15.973 -8.297 -3.845 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -16.280 -9.367 -3.321 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -16.805 -7.616 -4.625 1.00 0.00 N ATOM 0 H ASN A 69 -11.890 -7.738 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.526 -8.234 -1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.707 -6.611 -3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.997 -7.826 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -17.741 -7.977 -4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.508 -6.732 -5.039 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.618 -10.578 -1.641 1.00 0.00 N ATOM 1108 CA VAL A 70 -13.345 -12.005 -1.765 1.00 0.00 C ATOM 1109 C VAL A 70 -14.218 -12.640 -2.840 1.00 0.00 C ATOM 1110 O VAL A 70 -13.904 -13.713 -3.356 1.00 0.00 O ATOM 1111 CB VAL A 70 -13.577 -12.738 -0.430 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -13.372 -14.235 -0.601 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -12.658 -12.185 0.648 1.00 0.00 C ATOM 0 H VAL A 70 -13.843 -10.272 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.297 -12.104 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.608 -12.570 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.540 -14.736 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.076 -14.616 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.353 -14.427 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.836 -12.714 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.620 -12.321 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.859 -11.123 0.788 1.00 0.00 H new ATOM 1123 N SER A 71 -15.316 -11.970 -3.175 1.00 0.00 N ATOM 1124 CA SER A 71 -16.238 -12.471 -4.188 1.00 0.00 C ATOM 1125 C SER A 71 -15.507 -12.749 -5.498 1.00 0.00 C ATOM 1126 O SER A 71 -15.609 -13.839 -6.059 1.00 0.00 O ATOM 1127 CB SER A 71 -17.366 -11.465 -4.424 1.00 0.00 C ATOM 1128 OG SER A 71 -18.473 -12.079 -5.061 1.00 0.00 O ATOM 0 H SER A 71 -15.589 -11.079 -2.760 1.00 0.00 H new ATOM 0 HA SER A 71 -16.665 -13.406 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.681 -11.038 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.000 -10.641 -5.037 1.00 0.00 H new ATOM 0 HG SER A 71 -19.181 -11.415 -5.199 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.770 -11.754 -5.980 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.032 -11.909 -7.220 1.00 0.00 C ATOM 1136 C GLY A 72 -12.534 -11.798 -7.021 1.00 0.00 C ATOM 1137 O GLY A 72 -11.858 -11.070 -7.748 1.00 0.00 O ATOM 0 H GLY A 72 -14.670 -10.842 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.266 -12.879 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.358 -11.150 -7.931 1.00 0.00 H new ATOM 1141 N GLN A 73 -12.014 -12.520 -6.034 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.586 -12.497 -5.741 1.00 0.00 C ATOM 1143 C GLN A 73 -10.005 -11.107 -5.975 1.00 0.00 C ATOM 1144 O GLN A 73 -9.020 -10.947 -6.697 1.00 0.00 O ATOM 1145 CB GLN A 73 -9.850 -13.523 -6.605 1.00 0.00 C ATOM 1146 CG GLN A 73 -10.322 -14.951 -6.388 1.00 0.00 C ATOM 1147 CD GLN A 73 -9.953 -15.487 -5.019 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -8.809 -15.876 -4.779 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -10.922 -15.510 -4.111 1.00 0.00 N ATOM 0 H GLN A 73 -12.560 -13.128 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.452 -12.755 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.980 -13.262 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.782 -13.466 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.404 -14.994 -6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.888 -15.593 -7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.856 -15.178 -4.353 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.733 -15.860 -3.172 1.00 0.00 H new ATOM 1158 N LYS A 74 -10.620 -10.102 -5.360 1.00 0.00 N ATOM 1159 CA LYS A 74 -10.165 -8.724 -5.500 1.00 0.00 C ATOM 1160 C LYS A 74 -9.666 -8.178 -4.166 1.00 0.00 C ATOM 1161 O LYS A 74 -10.207 -8.503 -3.110 1.00 0.00 O ATOM 1162 CB LYS A 74 -11.296 -7.843 -6.034 1.00 0.00 C ATOM 1163 CG LYS A 74 -10.964 -6.361 -6.035 1.00 0.00 C ATOM 1164 CD LYS A 74 -11.750 -5.614 -7.100 1.00 0.00 C ATOM 1165 CE LYS A 74 -11.178 -4.226 -7.344 1.00 0.00 C ATOM 1166 NZ LYS A 74 -12.197 -3.298 -7.907 1.00 0.00 N ATOM 0 H LYS A 74 -11.436 -10.217 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.338 -8.711 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.538 -8.153 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.189 -8.006 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.184 -5.937 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.896 -6.227 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.736 -6.183 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.792 -5.530 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.796 -3.821 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.333 -4.297 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.768 -2.363 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.544 -3.672 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.992 -3.211 -7.242 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.632 -7.345 -4.223 1.00 0.00 N ATOM 1181 CA PHE A 75 -8.061 -6.753 -3.019 1.00 0.00 C ATOM 1182 C PHE A 75 -7.426 -5.400 -3.326 1.00 0.00 C ATOM 1183 O PHE A 75 -6.418 -5.321 -4.029 1.00 0.00 O ATOM 1184 CB PHE A 75 -7.018 -7.692 -2.409 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.458 -9.127 -2.359 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.383 -9.927 -3.488 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -7.947 -9.675 -1.185 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -7.789 -11.248 -3.445 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -8.354 -10.995 -1.136 1.00 0.00 C ATOM 1190 CZ PHE A 75 -8.273 -11.783 -2.267 1.00 0.00 C ATOM 0 H PHE A 75 -8.173 -7.065 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.867 -6.601 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.097 -7.623 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.786 -7.356 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.003 -9.514 -4.411 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.011 -9.064 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.728 -11.861 -4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.735 -11.410 -0.214 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.587 -12.816 -2.231 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.024 -4.339 -2.796 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.518 -2.988 -3.015 1.00 0.00 C ATOM 1202 C CYS A 76 -7.482 -2.203 -1.707 1.00 0.00 C ATOM 1203 O CYS A 76 -8.407 -2.282 -0.899 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.387 -2.256 -4.039 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.562 -0.862 -4.844 1.00 0.00 S ATOM 0 H CYS A 76 -8.859 -4.388 -2.212 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.501 -3.065 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.706 -2.966 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.288 -1.894 -3.543 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.354 -0.745 -4.379 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.407 -1.448 -1.507 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.250 -0.649 -0.298 1.00 0.00 C ATOM 1213 C ILE A 77 -6.380 0.839 -0.601 1.00 0.00 C ATOM 1214 O ILE A 77 -5.584 1.403 -1.353 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.889 -0.908 0.375 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.659 -2.411 0.549 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.819 -0.198 1.719 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.215 -2.775 0.814 1.00 0.00 C ATOM 0 H ILE A 77 -5.632 -1.373 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.046 -0.949 0.384 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.102 -0.510 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.273 -2.771 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.997 -2.928 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.851 -0.391 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.943 0.875 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.612 -0.569 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.127 -3.856 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.598 -2.446 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.878 -2.286 1.728 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.387 1.473 -0.010 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.620 2.898 -0.214 1.00 0.00 C ATOM 1232 C LYS A 78 -6.913 3.723 0.857 1.00 0.00 C ATOM 1233 O LYS A 78 -7.313 3.721 2.022 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.121 3.197 -0.195 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.447 4.678 -0.296 1.00 0.00 C ATOM 1236 CD LYS A 78 -9.424 5.348 1.068 1.00 0.00 C ATOM 1237 CE LYS A 78 -10.203 6.654 1.060 1.00 0.00 C ATOM 1238 NZ LYS A 78 -10.766 6.972 2.401 1.00 0.00 N ATOM 0 H LYS A 78 -8.055 1.022 0.615 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.213 3.173 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.598 2.671 -1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.550 2.801 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.728 5.166 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.431 4.805 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.848 4.675 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.392 5.540 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.549 7.465 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.012 6.590 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.318 7.852 2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.383 6.195 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.991 7.092 3.084 1.00 0.00 H new ATOM 1252 N LEU A 79 -5.862 4.429 0.454 1.00 0.00 N ATOM 1253 CA LEU A 79 -5.100 5.261 1.379 1.00 0.00 C ATOM 1254 C LEU A 79 -5.589 6.705 1.341 1.00 0.00 C ATOM 1255 O LEU A 79 -5.715 7.301 0.271 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.610 5.205 1.037 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.645 5.385 2.209 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -2.658 4.156 3.105 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.237 5.664 1.703 1.00 0.00 C ATOM 0 H LEU A 79 -5.518 4.442 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.250 4.873 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.402 4.245 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.398 5.976 0.296 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.974 6.241 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.965 4.302 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.664 4.001 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.354 3.282 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.564 5.789 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.898 4.828 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.239 6.575 1.104 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.859 7.264 2.516 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.332 8.640 2.618 1.00 0.00 C ATOM 1273 C LEU A 80 -5.426 9.461 3.530 1.00 0.00 C ATOM 1274 O LEU A 80 -5.439 9.293 4.749 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.767 8.669 3.146 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.614 9.870 2.722 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -9.033 9.741 1.266 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -9.835 10.006 3.621 1.00 0.00 C ATOM 0 H LEU A 80 -5.758 6.785 3.411 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.309 9.081 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.272 7.760 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.733 8.640 4.235 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.009 10.771 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.635 10.605 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.146 9.694 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.619 8.832 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.426 10.866 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.441 9.103 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.513 10.147 4.653 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.640 10.350 2.930 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.730 11.200 3.689 1.00 0.00 C ATOM 1292 C VAL A 81 -4.088 12.673 3.525 1.00 0.00 C ATOM 1293 O VAL A 81 -3.904 13.268 2.464 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.268 10.987 3.251 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.322 11.760 4.157 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -1.924 9.505 3.247 1.00 0.00 C ATOM 0 H VAL A 81 -4.615 10.500 1.921 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.833 10.919 4.737 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.152 11.366 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.294 11.598 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.556 12.823 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.437 11.414 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.888 9.373 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.056 9.098 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.581 8.981 2.553 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.613 13.276 4.602 1.00 0.00 N ATOM 1307 CA PRO A 82 -5.008 14.688 4.604 1.00 0.00 C ATOM 1308 C PRO A 82 -3.807 15.626 4.542 1.00 0.00 C ATOM 1309 O PRO A 82 -2.728 15.302 5.038 1.00 0.00 O ATOM 1310 CB PRO A 82 -5.744 14.849 5.936 1.00 0.00 C ATOM 1311 CG PRO A 82 -5.182 13.781 6.810 1.00 0.00 C ATOM 1312 CD PRO A 82 -4.861 12.628 5.900 1.00 0.00 C ATOM 0 HA PRO A 82 -5.613 14.943 3.734 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.578 15.838 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.820 14.732 5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.289 14.130 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.899 13.486 7.576 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.988 12.074 6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.687 11.919 5.844 1.00 0.00 H new ATOM 1320 N SER A 83 -4.002 16.790 3.929 1.00 0.00 N ATOM 1321 CA SER A 83 -2.934 17.773 3.800 1.00 0.00 C ATOM 1322 C SER A 83 -3.464 19.185 4.030 1.00 0.00 C ATOM 1323 O SER A 83 -4.631 19.487 3.778 1.00 0.00 O ATOM 1324 CB SER A 83 -2.289 17.678 2.415 1.00 0.00 C ATOM 1325 OG SER A 83 -1.229 16.739 2.410 1.00 0.00 O ATOM 0 H SER A 83 -4.890 17.074 3.514 1.00 0.00 H new ATOM 0 HA SER A 83 -2.182 17.557 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.040 17.388 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.913 18.657 2.117 1.00 0.00 H new ATOM 0 HG SER A 83 -0.835 16.696 1.514 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.587 20.073 4.523 1.00 0.00 N ATOM 1332 CA PRO A 84 -2.943 21.468 4.799 1.00 0.00 C ATOM 1333 C PRO A 84 -3.185 22.267 3.523 1.00 0.00 C ATOM 1334 O PRO A 84 -3.577 23.432 3.576 1.00 0.00 O ATOM 1335 CB PRO A 84 -1.718 22.006 5.542 1.00 0.00 C ATOM 1336 CG PRO A 84 -0.590 21.145 5.087 1.00 0.00 C ATOM 1337 CD PRO A 84 -1.180 19.783 4.847 1.00 0.00 C ATOM 0 HA PRO A 84 -3.871 21.548 5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -1.538 23.054 5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.852 21.945 6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.139 21.541 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.197 21.102 5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.678 19.266 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.093 19.147 5.728 1.00 0.00 H new ATOM 1345 N GLU A 85 -2.950 21.633 2.379 1.00 0.00 N ATOM 1346 CA GLU A 85 -3.143 22.287 1.090 1.00 0.00 C ATOM 1347 C GLU A 85 -4.002 21.428 0.167 1.00 0.00 C ATOM 1348 O GLU A 85 -4.731 21.943 -0.680 1.00 0.00 O ATOM 1349 CB GLU A 85 -1.792 22.571 0.430 1.00 0.00 C ATOM 1350 CG GLU A 85 -0.959 23.606 1.168 1.00 0.00 C ATOM 1351 CD GLU A 85 -1.677 24.933 1.318 1.00 0.00 C ATOM 1352 OE1 GLU A 85 -1.945 25.582 0.284 1.00 0.00 O ATOM 1353 OE2 GLU A 85 -1.970 25.323 2.467 1.00 0.00 O ATOM 0 H GLU A 85 -2.626 20.668 2.318 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.660 23.231 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.227 21.641 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.961 22.914 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.701 23.223 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.023 23.762 0.633 1.00 0.00 H new ATOM 1360 N GLY A 86 -3.909 20.112 0.336 1.00 0.00 N ATOM 1361 CA GLY A 86 -4.681 19.201 -0.488 1.00 0.00 C ATOM 1362 C GLY A 86 -4.340 17.748 -0.223 1.00 0.00 C ATOM 1363 O GLY A 86 -3.276 17.272 -0.617 1.00 0.00 O ATOM 0 H GLY A 86 -3.312 19.661 1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.743 19.361 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.502 19.427 -1.539 1.00 0.00 H new ATOM 1367 N MET A 87 -5.245 17.042 0.446 1.00 0.00 N ATOM 1368 CA MET A 87 -5.034 15.635 0.764 1.00 0.00 C ATOM 1369 C MET A 87 -4.622 14.853 -0.480 1.00 0.00 C ATOM 1370 O MET A 87 -4.737 15.347 -1.601 1.00 0.00 O ATOM 1371 CB MET A 87 -6.304 15.029 1.364 1.00 0.00 C ATOM 1372 CG MET A 87 -7.358 14.676 0.327 1.00 0.00 C ATOM 1373 SD MET A 87 -7.013 13.119 -0.513 1.00 0.00 S ATOM 1374 CE MET A 87 -6.774 12.026 0.885 1.00 0.00 C ATOM 0 H MET A 87 -6.132 17.421 0.778 1.00 0.00 H new ATOM 0 HA MET A 87 -4.229 15.570 1.496 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.040 14.131 1.922 1.00 0.00 H new ATOM 0 HB3 MET A 87 -6.730 15.733 2.078 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.332 14.615 0.812 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.419 15.476 -0.410 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.817 10.990 0.549 1.00 0.00 H new ATOM 0 HE2 MET A 87 -5.801 12.221 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.558 12.201 1.622 1.00 0.00 H new ATOM 1384 N SER A 88 -4.142 13.631 -0.273 1.00 0.00 N ATOM 1385 CA SER A 88 -3.710 12.782 -1.378 1.00 0.00 C ATOM 1386 C SER A 88 -4.278 11.374 -1.236 1.00 0.00 C ATOM 1387 O SER A 88 -3.894 10.627 -0.337 1.00 0.00 O ATOM 1388 CB SER A 88 -2.182 12.725 -1.437 1.00 0.00 C ATOM 1389 OG SER A 88 -1.730 12.521 -2.764 1.00 0.00 O ATOM 0 H SER A 88 -4.042 13.206 0.649 1.00 0.00 H new ATOM 0 HA SER A 88 -4.087 13.214 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.765 13.653 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.820 11.919 -0.798 1.00 0.00 H new ATOM 0 HG SER A 88 -0.751 12.490 -2.775 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.195 11.019 -2.130 1.00 0.00 N ATOM 1396 CA GLU A 89 -5.817 9.701 -2.104 1.00 0.00 C ATOM 1397 C GLU A 89 -5.176 8.776 -3.135 1.00 0.00 C ATOM 1398 O GLU A 89 -5.216 9.045 -4.336 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.320 9.816 -2.371 1.00 0.00 C ATOM 1400 CG GLU A 89 -7.658 10.129 -3.819 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.005 10.810 -3.969 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -10.000 10.280 -3.432 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -9.064 11.873 -4.622 1.00 0.00 O ATOM 0 H GLU A 89 -5.524 11.626 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.663 9.275 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.804 8.881 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.735 10.596 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.882 10.769 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.656 9.205 -4.397 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.584 7.687 -2.656 1.00 0.00 N ATOM 1411 CA ILE A 90 -3.934 6.722 -3.535 1.00 0.00 C ATOM 1412 C ILE A 90 -4.681 5.392 -3.539 1.00 0.00 C ATOM 1413 O ILE A 90 -5.165 4.937 -2.502 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.472 6.476 -3.118 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.643 7.748 -3.312 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -1.880 5.325 -3.917 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -1.857 8.780 -2.227 1.00 0.00 C ATOM 0 H ILE A 90 -4.541 7.451 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.950 7.148 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.451 6.208 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.587 7.482 -3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.891 8.190 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.846 5.163 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.459 4.420 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.910 5.566 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.238 9.654 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.906 9.075 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.581 8.356 -1.262 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.768 4.773 -4.711 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.456 3.495 -4.850 1.00 0.00 C ATOM 1431 C TYR A 91 -4.485 2.397 -5.274 1.00 0.00 C ATOM 1432 O TYR A 91 -4.047 2.350 -6.425 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.590 3.611 -5.871 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.703 4.537 -5.436 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.257 4.441 -4.166 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.202 5.507 -6.297 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.275 5.284 -3.764 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.219 6.355 -5.904 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.752 6.240 -4.637 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.766 7.082 -4.242 1.00 0.00 O ATOM 0 H TYR A 91 -4.371 5.135 -5.578 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.875 3.229 -3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.181 3.967 -6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.004 2.620 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.885 3.694 -3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.788 5.599 -7.290 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.695 5.195 -2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.595 7.104 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.984 7.697 -4.973 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.153 1.516 -4.337 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.234 0.417 -4.612 1.00 0.00 C ATOM 1452 C LEU A 92 -3.985 -0.907 -4.717 1.00 0.00 C ATOM 1453 O LEU A 92 -4.676 -1.316 -3.784 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.172 0.328 -3.515 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.507 1.646 -3.116 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -1.006 1.578 -1.682 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.365 1.976 -4.066 1.00 0.00 C ATOM 0 H LEU A 92 -4.506 1.541 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.746 0.614 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.631 -0.108 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.396 -0.363 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.250 2.441 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.536 2.525 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.845 1.388 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.278 0.772 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.097 2.917 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.379 1.180 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.751 2.068 -5.081 1.00 0.00 H new ATOM 1469 N ARG A 93 -3.843 -1.572 -5.859 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.507 -2.850 -6.086 1.00 0.00 C ATOM 1471 C ARG A 93 -3.490 -3.985 -6.164 1.00 0.00 C ATOM 1472 O ARG A 93 -2.528 -3.918 -6.931 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.330 -2.800 -7.374 1.00 0.00 C ATOM 1474 CG ARG A 93 -5.870 -4.154 -7.806 1.00 0.00 C ATOM 1475 CD ARG A 93 -7.171 -4.488 -7.094 1.00 0.00 C ATOM 1476 NE ARG A 93 -7.681 -5.803 -7.474 1.00 0.00 N ATOM 1477 CZ ARG A 93 -8.214 -6.069 -8.661 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -8.306 -5.117 -9.579 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -8.656 -7.290 -8.932 1.00 0.00 N ATOM 0 H ARG A 93 -3.274 -1.247 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.173 -3.039 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.165 -2.113 -7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.712 -2.393 -8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.033 -4.155 -8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.130 -4.926 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.012 -4.458 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.917 -3.729 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.625 -6.558 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.967 -4.177 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.716 -5.325 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.587 -8.025 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.065 -7.494 -9.844 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.708 -5.024 -5.365 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.810 -6.173 -5.343 1.00 0.00 C ATOM 1495 C CYS A 94 -3.337 -7.293 -6.234 1.00 0.00 C ATOM 1496 O CYS A 94 -4.491 -7.267 -6.661 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.636 -6.683 -3.911 1.00 0.00 C ATOM 1498 SG CYS A 94 -1.946 -5.461 -2.772 1.00 0.00 S ATOM 0 H CYS A 94 -4.499 -5.094 -4.724 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.842 -5.853 -5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.605 -7.010 -3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.987 -7.559 -3.925 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.830 -5.909 -2.278 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.483 -8.273 -6.511 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.863 -9.401 -7.353 1.00 0.00 C ATOM 1506 C GLN A 95 -3.583 -10.471 -6.539 1.00 0.00 C ATOM 1507 O GLN A 95 -4.748 -10.778 -6.792 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.627 -10.001 -8.026 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.956 -11.033 -9.093 1.00 0.00 C ATOM 1510 CD GLN A 95 -2.332 -12.379 -8.507 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -3.499 -12.636 -8.209 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -1.342 -13.248 -8.337 1.00 0.00 N ATOM 0 H GLN A 95 -1.524 -8.309 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.545 -9.035 -8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.043 -9.198 -8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.998 -10.464 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.779 -10.666 -9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.096 -11.155 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.389 -12.993 -8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.534 -14.170 -7.946 1.00 0.00 H new ATOM 1521 N ASP A 96 -2.882 -11.034 -5.561 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.455 -12.070 -4.709 1.00 0.00 C ATOM 1523 C ASP A 96 -3.528 -11.601 -3.259 1.00 0.00 C ATOM 1524 O ASP A 96 -2.971 -10.563 -2.904 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.627 -13.352 -4.801 1.00 0.00 C ATOM 1526 CG ASP A 96 -3.080 -14.254 -5.933 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -4.235 -14.103 -6.384 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -2.282 -15.111 -6.366 1.00 0.00 O ATOM 0 H ASP A 96 -1.917 -10.791 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.467 -12.275 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.578 -13.094 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.696 -13.894 -3.858 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.221 -12.372 -2.427 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.368 -12.034 -1.016 1.00 0.00 C ATOM 1535 C GLU A 97 -3.038 -12.171 -0.282 1.00 0.00 C ATOM 1536 O GLU A 97 -2.800 -11.499 0.722 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.420 -12.931 -0.361 1.00 0.00 C ATOM 1538 CG GLU A 97 -5.045 -14.404 -0.354 1.00 0.00 C ATOM 1539 CD GLU A 97 -6.251 -15.312 -0.215 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -6.686 -15.552 0.930 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -6.760 -15.784 -1.254 1.00 0.00 O ATOM 0 H GLU A 97 -4.689 -13.234 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.694 -10.996 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.579 -12.600 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.367 -12.808 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.518 -14.645 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.354 -14.595 0.467 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.176 -13.045 -0.790 1.00 0.00 N ATOM 1549 CA GLN A 98 -0.870 -13.272 -0.181 1.00 0.00 C ATOM 1550 C GLN A 98 -0.082 -11.969 -0.083 1.00 0.00 C ATOM 1551 O GLN A 98 0.530 -11.680 0.944 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.078 -14.301 -0.990 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.335 -15.737 -0.564 1.00 0.00 C ATOM 1554 CD GLN A 98 0.331 -16.083 0.753 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.455 -15.238 1.640 1.00 0.00 O ATOM 1556 NE2 GLN A 98 0.764 -17.331 0.888 1.00 0.00 N ATOM 0 H GLN A 98 -2.358 -13.608 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.029 -13.657 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.330 -14.193 -2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.986 -14.087 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.409 -15.899 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.028 -16.412 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.640 -17.999 0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.220 -17.622 1.753 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.103 -11.189 -1.159 1.00 0.00 N ATOM 1566 CA GLN A 99 0.611 -9.918 -1.193 1.00 0.00 C ATOM 1567 C GLN A 99 -0.167 -8.836 -0.452 1.00 0.00 C ATOM 1568 O GLN A 99 0.392 -8.105 0.366 1.00 0.00 O ATOM 1569 CB GLN A 99 0.856 -9.485 -2.640 1.00 0.00 C ATOM 1570 CG GLN A 99 1.480 -8.105 -2.765 1.00 0.00 C ATOM 1571 CD GLN A 99 2.964 -8.104 -2.455 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.388 -8.559 -1.392 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.763 -7.592 -3.384 1.00 0.00 N ATOM 0 H GLN A 99 -0.606 -11.414 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 99 1.570 -10.056 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.507 -10.214 -3.123 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.091 -9.496 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.324 -7.730 -3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.971 -7.418 -2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.369 -7.226 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.771 -7.565 -3.231 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.460 -8.740 -0.743 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.315 -7.745 -0.106 1.00 0.00 C ATOM 1584 C TYR A 100 -2.152 -7.778 1.411 1.00 0.00 C ATOM 1585 O TYR A 100 -2.078 -6.736 2.061 1.00 0.00 O ATOM 1586 CB TYR A 100 -3.779 -7.987 -0.478 1.00 0.00 C ATOM 1587 CG TYR A 100 -4.758 -7.482 0.558 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.097 -6.137 0.626 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.345 -8.352 1.469 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -5.991 -5.672 1.571 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.241 -7.896 2.417 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.560 -6.555 2.464 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.452 -6.096 3.406 1.00 0.00 O ATOM 0 H TYR A 100 -1.939 -9.339 -1.416 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.014 -6.761 -0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -3.988 -7.501 -1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.936 -9.056 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.654 -5.442 -0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.097 -9.403 1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.243 -4.622 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.689 -8.586 3.117 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.761 -6.846 3.956 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.096 -8.984 1.968 1.00 0.00 N ATOM 1604 CA ALA A 101 -1.940 -9.154 3.407 1.00 0.00 C ATOM 1605 C ALA A 101 -0.621 -8.561 3.889 1.00 0.00 C ATOM 1606 O ALA A 101 -0.576 -7.866 4.905 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.024 -10.628 3.776 1.00 0.00 C ATOM 0 H ALA A 101 -2.156 -9.857 1.444 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.751 -8.620 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.906 -10.741 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.994 -11.024 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.233 -11.177 3.265 1.00 0.00 H new ATOM 1613 N ARG A 102 0.452 -8.839 3.155 1.00 0.00 N ATOM 1614 CA ARG A 102 1.773 -8.333 3.510 1.00 0.00 C ATOM 1615 C ARG A 102 1.765 -6.810 3.606 1.00 0.00 C ATOM 1616 O ARG A 102 2.141 -6.241 4.630 1.00 0.00 O ATOM 1617 CB ARG A 102 2.809 -8.785 2.480 1.00 0.00 C ATOM 1618 CG ARG A 102 3.305 -10.205 2.697 1.00 0.00 C ATOM 1619 CD ARG A 102 4.190 -10.668 1.550 1.00 0.00 C ATOM 1620 NE ARG A 102 4.870 -11.923 1.855 1.00 0.00 N ATOM 1621 CZ ARG A 102 4.284 -13.113 1.782 1.00 0.00 C ATOM 1622 NH1 ARG A 102 3.014 -13.209 1.414 1.00 0.00 N ATOM 1623 NH2 ARG A 102 4.969 -14.211 2.075 1.00 0.00 N ATOM 0 H ARG A 102 0.432 -9.412 2.311 1.00 0.00 H new ATOM 0 HA ARG A 102 2.040 -8.739 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.375 -8.709 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.659 -8.104 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.862 -10.258 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.453 -10.878 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.584 -10.793 0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.930 -9.899 1.330 1.00 0.00 H new ATOM 0 HE ARG A 102 5.849 -11.884 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.484 -12.368 1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.567 -14.124 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.947 -14.142 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.518 -15.124 2.019 1.00 0.00 H new ATOM 1637 N TRP A 103 1.334 -6.158 2.532 1.00 0.00 N ATOM 1638 CA TRP A 103 1.278 -4.701 2.494 1.00 0.00 C ATOM 1639 C TRP A 103 0.248 -4.171 3.486 1.00 0.00 C ATOM 1640 O TRP A 103 0.600 -3.534 4.479 1.00 0.00 O ATOM 1641 CB TRP A 103 0.939 -4.220 1.082 1.00 0.00 C ATOM 1642 CG TRP A 103 2.130 -4.161 0.174 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.648 -5.186 -0.566 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.951 -3.019 -0.090 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.742 -4.750 -1.273 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.948 -3.423 -0.999 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.941 -1.693 0.351 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.923 -2.549 -1.472 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.909 -0.827 -0.118 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.889 -1.257 -1.023 1.00 0.00 C ATOM 0 H TRP A 103 1.018 -6.615 1.676 1.00 0.00 H new ATOM 0 HA TRP A 103 2.258 -4.316 2.775 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.193 -4.886 0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.487 -3.230 1.142 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.255 -6.192 -0.591 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.309 -5.321 -1.900 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.189 -1.351 1.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.679 -2.879 -2.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.911 0.199 0.218 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.632 -0.555 -1.373 1.00 0.00 H new ATOM 1661 N MET A 104 -1.024 -4.437 3.211 1.00 0.00 N ATOM 1662 CA MET A 104 -2.104 -3.987 4.081 1.00 0.00 C ATOM 1663 C MET A 104 -1.694 -4.075 5.548 1.00 0.00 C ATOM 1664 O MET A 104 -1.610 -3.062 6.241 1.00 0.00 O ATOM 1665 CB MET A 104 -3.364 -4.821 3.841 1.00 0.00 C ATOM 1666 CG MET A 104 -4.449 -4.598 4.882 1.00 0.00 C ATOM 1667 SD MET A 104 -4.845 -2.854 5.109 1.00 0.00 S ATOM 1668 CE MET A 104 -6.302 -2.700 4.079 1.00 0.00 C ATOM 0 H MET A 104 -1.332 -4.962 2.393 1.00 0.00 H new ATOM 0 HA MET A 104 -2.317 -2.945 3.843 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.764 -4.584 2.855 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.094 -5.877 3.830 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.349 -5.135 4.584 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.126 -5.020 5.834 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.039 -2.196 3.149 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.696 -3.691 3.855 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.060 -2.119 4.605 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.439 -5.294 6.014 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.036 -5.514 7.397 1.00 0.00 C ATOM 1680 C ALA A 105 -0.058 -4.440 7.861 1.00 0.00 C ATOM 1681 O ALA A 105 -0.105 -3.997 9.008 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.419 -6.896 7.553 1.00 0.00 C ATOM 0 H ALA A 105 -1.505 -6.144 5.453 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.926 -5.453 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.122 -7.047 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.149 -7.654 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.457 -6.978 6.910 1.00 0.00 H new ATOM 1688 N GLY A 106 0.830 -4.026 6.962 1.00 0.00 N ATOM 1689 CA GLY A 106 1.808 -3.007 7.299 1.00 0.00 C ATOM 1690 C GLY A 106 1.179 -1.642 7.495 1.00 0.00 C ATOM 1691 O GLY A 106 1.338 -1.024 8.548 1.00 0.00 O ATOM 0 H GLY A 106 0.890 -4.378 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.331 -3.297 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.555 -2.949 6.508 1.00 0.00 H new ATOM 1695 N CYS A 107 0.464 -1.170 6.480 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.189 0.132 6.545 1.00 0.00 C ATOM 1697 C CYS A 107 -1.050 0.247 7.798 1.00 0.00 C ATOM 1698 O CYS A 107 -1.061 1.282 8.464 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.047 0.359 5.299 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.096 0.566 3.776 1.00 0.00 S ATOM 0 H CYS A 107 0.322 -1.670 5.602 1.00 0.00 H new ATOM 0 HA CYS A 107 0.586 0.897 6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.725 -0.486 5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.664 1.244 5.452 1.00 0.00 H new ATOM 0 HG CYS A 107 -0.909 0.750 2.778 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.772 -0.823 8.113 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.639 -0.842 9.285 1.00 0.00 C ATOM 1708 C ARG A 108 -1.834 -0.612 10.561 1.00 0.00 C ATOM 1709 O ARG A 108 -2.330 -0.024 11.523 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.385 -2.175 9.373 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.591 -2.261 8.453 1.00 0.00 C ATOM 1712 CD ARG A 108 -5.060 -3.697 8.280 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.429 -4.309 9.554 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.589 -4.095 10.163 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.489 -3.289 9.617 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.852 -4.689 11.320 1.00 0.00 N ATOM 0 H ARG A 108 -1.774 -1.688 7.573 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.364 -0.034 9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.696 -2.984 9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.711 -2.332 10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.403 -1.659 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.338 -1.840 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.916 -3.720 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.269 -4.283 7.812 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.759 -4.935 10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.291 -2.832 8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.380 -3.126 10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.163 -5.311 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.744 -4.524 11.787 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.591 -1.079 10.562 1.00 0.00 N ATOM 1731 CA LEU A 109 0.284 -0.925 11.719 1.00 0.00 C ATOM 1732 C LEU A 109 0.749 0.521 11.861 1.00 0.00 C ATOM 1733 O LEU A 109 0.565 1.143 12.907 1.00 0.00 O ATOM 1734 CB LEU A 109 1.493 -1.853 11.596 1.00 0.00 C ATOM 1735 CG LEU A 109 1.212 -3.347 11.756 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.264 -4.169 11.027 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.162 -3.727 13.229 1.00 0.00 C ATOM 0 H LEU A 109 -0.166 -1.568 9.774 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.282 -1.194 12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.951 -1.692 10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.228 -1.560 12.345 1.00 0.00 H new ATOM 0 HG LEU A 109 0.240 -3.563 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.048 -5.230 11.152 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.251 -3.918 9.966 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.248 -3.948 11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.961 -4.794 13.323 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.119 -3.495 13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.370 -3.164 13.723 1.00 0.00 H new ATOM 1749 N ALA A 110 1.351 1.049 10.801 1.00 0.00 N ATOM 1750 CA ALA A 110 1.839 2.423 10.806 1.00 0.00 C ATOM 1751 C ALA A 110 0.702 3.409 11.052 1.00 0.00 C ATOM 1752 O ALA A 110 0.842 4.349 11.834 1.00 0.00 O ATOM 1753 CB ALA A 110 2.540 2.739 9.492 1.00 0.00 C ATOM 0 H ALA A 110 1.513 0.547 9.928 1.00 0.00 H new ATOM 0 HA ALA A 110 2.555 2.525 11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.899 3.768 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.384 2.062 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.839 2.613 8.666 1.00 0.00 H new ATOM 1759 N SER A 111 -0.422 3.188 10.379 1.00 0.00 N ATOM 1760 CA SER A 111 -1.582 4.060 10.521 1.00 0.00 C ATOM 1761 C SER A 111 -1.781 4.465 11.979 1.00 0.00 C ATOM 1762 O SER A 111 -2.044 5.630 12.281 1.00 0.00 O ATOM 1763 CB SER A 111 -2.839 3.361 9.999 1.00 0.00 C ATOM 1764 OG SER A 111 -3.994 4.148 10.232 1.00 0.00 O ATOM 0 H SER A 111 -0.554 2.412 9.730 1.00 0.00 H new ATOM 0 HA SER A 111 -1.404 4.960 9.932 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.735 3.169 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.950 2.393 10.488 1.00 0.00 H new ATOM 0 HG SER A 111 -3.986 4.925 9.635 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.654 3.496 12.879 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.818 3.750 14.305 1.00 0.00 C ATOM 1772 C LYS A 112 -0.483 4.106 14.951 1.00 0.00 C ATOM 1773 O LYS A 112 -0.443 4.724 16.014 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.421 2.524 14.996 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.786 2.133 14.458 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.859 3.119 14.889 1.00 0.00 C ATOM 1777 CE LYS A 112 -5.282 2.886 16.332 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.449 3.730 16.710 1.00 0.00 N ATOM 0 H LYS A 112 -1.438 2.527 12.646 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.495 4.596 14.423 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.740 1.681 14.882 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.504 2.724 16.064 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.749 2.087 13.370 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.045 1.135 14.811 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.485 4.137 14.778 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.726 3.025 14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.534 1.835 16.472 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -4.445 3.104 16.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.707 3.542 17.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.201 4.734 16.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.255 3.504 16.093 1.00 0.00 H new ATOM 1792 N GLY A 113 0.608 3.713 14.301 1.00 0.00 N ATOM 1793 CA GLY A 113 1.929 4.001 14.827 1.00 0.00 C ATOM 1794 C GLY A 113 2.828 2.780 14.839 1.00 0.00 C ATOM 1795 O GLY A 113 4.038 2.889 14.640 1.00 0.00 O ATOM 0 H GLY A 113 0.600 3.200 13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.393 4.784 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.836 4.390 15.841 1.00 0.00 H new ATOM 1799 N ARG A 114 2.235 1.614 15.074 1.00 0.00 N ATOM 1800 CA ARG A 114 2.991 0.367 15.114 1.00 0.00 C ATOM 1801 C ARG A 114 3.801 0.182 13.835 1.00 0.00 C ATOM 1802 O ARG A 114 3.547 0.838 12.824 1.00 0.00 O ATOM 1803 CB ARG A 114 2.047 -0.820 15.309 1.00 0.00 C ATOM 1804 CG ARG A 114 1.465 -0.912 16.711 1.00 0.00 C ATOM 1805 CD ARG A 114 0.298 -1.885 16.767 1.00 0.00 C ATOM 1806 NE ARG A 114 0.153 -2.491 18.088 1.00 0.00 N ATOM 1807 CZ ARG A 114 -0.760 -3.411 18.379 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -1.604 -3.829 17.446 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -0.829 -3.914 19.604 1.00 0.00 N ATOM 0 H ARG A 114 1.234 1.506 15.239 1.00 0.00 H new ATOM 0 HA ARG A 114 3.681 0.416 15.957 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.231 -0.746 14.590 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.585 -1.742 15.087 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.240 -1.231 17.408 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.133 0.075 17.034 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.622 -1.363 16.505 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.443 -2.668 16.023 1.00 0.00 H new ATOM 0 HE ARG A 114 0.788 -2.191 18.828 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -1.553 -3.444 16.503 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.304 -4.536 17.671 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -0.181 -3.595 20.324 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.530 -4.620 19.827 1.00 0.00 H new ATOM 1823 N THR A 115 4.780 -0.717 13.885 1.00 0.00 N ATOM 1824 CA THR A 115 5.629 -0.988 12.732 1.00 0.00 C ATOM 1825 C THR A 115 5.809 -2.487 12.522 1.00 0.00 C ATOM 1826 O THR A 115 5.645 -3.277 13.451 1.00 0.00 O ATOM 1827 CB THR A 115 7.014 -0.333 12.888 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.678 -0.860 14.042 1.00 0.00 O ATOM 1829 CG2 THR A 115 6.887 1.178 13.015 1.00 0.00 C ATOM 0 H THR A 115 5.004 -1.270 14.713 1.00 0.00 H new ATOM 0 HA THR A 115 5.129 -0.560 11.863 1.00 0.00 H new ATOM 0 HB THR A 115 7.601 -0.559 11.997 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.559 -0.440 14.133 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.878 1.619 13.124 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.408 1.579 12.122 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.284 1.420 13.890 1.00 0.00 H new ATOM 1837 N MET A 116 6.148 -2.872 11.296 1.00 0.00 N ATOM 1838 CA MET A 116 6.352 -4.277 10.965 1.00 0.00 C ATOM 1839 C MET A 116 7.276 -4.945 11.979 1.00 0.00 C ATOM 1840 O MET A 116 7.053 -6.088 12.377 1.00 0.00 O ATOM 1841 CB MET A 116 6.936 -4.413 9.558 1.00 0.00 C ATOM 1842 CG MET A 116 5.888 -4.375 8.458 1.00 0.00 C ATOM 1843 SD MET A 116 6.458 -5.139 6.928 1.00 0.00 S ATOM 1844 CE MET A 116 7.648 -3.925 6.365 1.00 0.00 C ATOM 0 H MET A 116 6.287 -2.230 10.515 1.00 0.00 H new ATOM 0 HA MET A 116 5.384 -4.776 10.997 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.654 -3.610 9.392 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.487 -5.351 9.491 1.00 0.00 H new ATOM 0 HG2 MET A 116 4.988 -4.886 8.801 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.611 -3.339 8.261 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.396 -3.612 5.352 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.627 -3.060 7.028 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.646 -4.363 6.372 1.00 0.00 H new ATOM 1854 N ALA A 117 8.314 -4.225 12.392 1.00 0.00 N ATOM 1855 CA ALA A 117 9.270 -4.747 13.360 1.00 0.00 C ATOM 1856 C ALA A 117 8.562 -5.514 14.472 1.00 0.00 C ATOM 1857 O ALA A 117 9.105 -6.473 15.021 1.00 0.00 O ATOM 1858 CB ALA A 117 10.102 -3.615 13.943 1.00 0.00 C ATOM 0 H ALA A 117 8.514 -3.278 12.071 1.00 0.00 H new ATOM 0 HA ALA A 117 9.933 -5.440 12.842 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.812 -4.019 14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.645 -3.113 13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.446 -2.900 14.441 1.00 0.00 H new ATOM 1864 N ASP A 118 7.348 -5.084 14.800 1.00 0.00 N ATOM 1865 CA ASP A 118 6.566 -5.730 15.847 1.00 0.00 C ATOM 1866 C ASP A 118 6.002 -7.061 15.361 1.00 0.00 C ATOM 1867 O ASP A 118 5.380 -7.133 14.301 1.00 0.00 O ATOM 1868 CB ASP A 118 5.428 -4.815 16.301 1.00 0.00 C ATOM 1869 CG ASP A 118 4.851 -5.229 17.641 1.00 0.00 C ATOM 1870 OD1 ASP A 118 4.321 -6.356 17.735 1.00 0.00 O ATOM 1871 OD2 ASP A 118 4.928 -4.426 18.594 1.00 0.00 O ATOM 0 H ASP A 118 6.885 -4.291 14.356 1.00 0.00 H new ATOM 0 HA ASP A 118 7.226 -5.923 16.693 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.794 -3.790 16.367 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.638 -4.823 15.550 1.00 0.00 H new ATOM 1876 N SER A 119 6.224 -8.114 16.142 1.00 0.00 N ATOM 1877 CA SER A 119 5.742 -9.444 15.789 1.00 0.00 C ATOM 1878 C SER A 119 4.279 -9.395 15.359 1.00 0.00 C ATOM 1879 O SER A 119 3.896 -9.994 14.355 1.00 0.00 O ATOM 1880 CB SER A 119 5.907 -10.400 16.972 1.00 0.00 C ATOM 1881 OG SER A 119 7.263 -10.487 17.373 1.00 0.00 O ATOM 0 H SER A 119 6.735 -8.071 17.024 1.00 0.00 H new ATOM 0 HA SER A 119 6.336 -9.809 14.951 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.299 -10.056 17.809 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.542 -11.390 16.697 1.00 0.00 H new ATOM 0 HG SER A 119 7.341 -11.103 18.131 1.00 0.00 H new ATOM 1887 N SER A 120 3.467 -8.677 16.128 1.00 0.00 N ATOM 1888 CA SER A 120 2.045 -8.552 15.830 1.00 0.00 C ATOM 1889 C SER A 120 1.812 -8.442 14.327 1.00 0.00 C ATOM 1890 O SER A 120 0.763 -8.837 13.819 1.00 0.00 O ATOM 1891 CB SER A 120 1.459 -7.330 16.540 1.00 0.00 C ATOM 1892 OG SER A 120 0.095 -7.149 16.202 1.00 0.00 O ATOM 0 H SER A 120 3.769 -8.173 16.962 1.00 0.00 H new ATOM 0 HA SER A 120 1.543 -9.449 16.192 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.557 -7.451 17.619 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.026 -6.440 16.266 1.00 0.00 H new ATOM 0 HG SER A 120 -0.256 -6.363 16.670 1.00 0.00 H new ATOM 1898 N TYR A 121 2.799 -7.901 13.620 1.00 0.00 N ATOM 1899 CA TYR A 121 2.702 -7.736 12.175 1.00 0.00 C ATOM 1900 C TYR A 121 2.212 -9.019 11.511 1.00 0.00 C ATOM 1901 O TYR A 121 1.224 -9.014 10.776 1.00 0.00 O ATOM 1902 CB TYR A 121 4.059 -7.335 11.594 1.00 0.00 C ATOM 1903 CG TYR A 121 4.240 -7.731 10.146 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.629 -7.011 9.127 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.023 -8.825 9.798 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.790 -7.370 7.803 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.191 -9.190 8.476 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.572 -8.460 7.483 1.00 0.00 C ATOM 1909 OH TYR A 121 4.737 -8.820 6.165 1.00 0.00 O ATOM 0 H TYR A 121 3.675 -7.570 14.025 1.00 0.00 H new ATOM 0 HA TYR A 121 1.979 -6.945 11.974 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.178 -6.255 11.684 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.849 -7.794 12.189 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.018 -6.156 9.374 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.508 -9.399 10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.306 -6.801 7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.804 -10.042 8.222 1.00 0.00 H new ATOM 0 HH TYR A 121 5.317 -9.608 6.111 1.00 0.00 H new ATOM 1919 N THR A 122 2.910 -10.119 11.776 1.00 0.00 N ATOM 1920 CA THR A 122 2.548 -11.410 11.205 1.00 0.00 C ATOM 1921 C THR A 122 1.144 -11.825 11.630 1.00 0.00 C ATOM 1922 O THR A 122 0.436 -12.506 10.888 1.00 0.00 O ATOM 1923 CB THR A 122 3.544 -12.508 11.624 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.366 -13.669 10.804 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.355 -12.881 13.087 1.00 0.00 C ATOM 0 H THR A 122 3.730 -10.141 12.383 1.00 0.00 H new ATOM 0 HA THR A 122 2.578 -11.296 10.121 1.00 0.00 H new ATOM 0 HB THR A 122 4.554 -12.121 11.492 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.004 -14.362 11.075 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.069 -13.658 13.360 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.519 -12.002 13.711 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.341 -13.250 13.240 1.00 0.00 H new ATOM 1933 N SER A 123 0.746 -11.409 12.828 1.00 0.00 N ATOM 1934 CA SER A 123 -0.574 -11.740 13.353 1.00 0.00 C ATOM 1935 C SER A 123 -1.671 -11.262 12.406 1.00 0.00 C ATOM 1936 O SER A 123 -2.712 -11.903 12.272 1.00 0.00 O ATOM 1937 CB SER A 123 -0.769 -11.113 14.734 1.00 0.00 C ATOM 1938 OG SER A 123 -1.678 -11.870 15.514 1.00 0.00 O ATOM 0 H SER A 123 1.319 -10.842 13.453 1.00 0.00 H new ATOM 0 HA SER A 123 -0.641 -12.824 13.441 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.191 -11.050 15.247 1.00 0.00 H new ATOM 0 HB3 SER A 123 -1.140 -10.094 14.625 1.00 0.00 H new ATOM 0 HG SER A 123 -1.784 -11.449 16.393 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.427 -10.130 11.751 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.394 -9.565 10.817 1.00 0.00 C ATOM 1946 C GLU A 124 -2.394 -10.337 9.501 1.00 0.00 C ATOM 1947 O GLU A 124 -3.450 -10.644 8.948 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.083 -8.090 10.557 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.503 -7.170 11.690 1.00 0.00 C ATOM 1950 CD GLU A 124 -4.009 -7.080 11.841 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -4.708 -7.038 10.807 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -4.489 -7.053 12.994 1.00 0.00 O ATOM 0 H GLU A 124 -0.569 -9.587 11.850 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.384 -9.646 11.265 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.012 -7.978 10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.585 -7.778 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.069 -7.528 12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -2.099 -6.173 11.512 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.200 -10.647 9.004 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.061 -11.383 7.753 1.00 0.00 C ATOM 1961 C VAL A 125 -1.840 -12.693 7.796 1.00 0.00 C ATOM 1962 O VAL A 125 -2.436 -13.105 6.801 1.00 0.00 O ATOM 1963 CB VAL A 125 0.416 -11.688 7.442 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.541 -12.446 6.130 1.00 0.00 C ATOM 1965 CG2 VAL A 125 1.228 -10.402 7.404 1.00 0.00 C ATOM 0 H VAL A 125 -0.316 -10.400 9.449 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.467 -10.748 6.966 1.00 0.00 H new ATOM 0 HB VAL A 125 0.814 -12.319 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.592 -12.652 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.006 -13.386 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.127 -11.844 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.269 -10.636 7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.832 -9.744 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.165 -9.903 8.371 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.832 -13.342 8.956 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.538 -14.606 9.128 1.00 0.00 C ATOM 1977 C GLN A 126 -4.045 -14.382 9.198 1.00 0.00 C ATOM 1978 O GLN A 126 -4.802 -14.932 8.398 1.00 0.00 O ATOM 1979 CB GLN A 126 -2.057 -15.315 10.396 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.543 -15.353 10.534 1.00 0.00 C ATOM 1981 CD GLN A 126 0.071 -16.576 9.883 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.563 -17.627 9.787 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.314 -16.447 9.432 1.00 0.00 N ATOM 0 H GLN A 126 -1.345 -13.014 9.790 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.322 -15.235 8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.480 -14.813 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.440 -16.336 10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.118 -14.455 10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.278 -15.337 11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.803 -15.558 9.532 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.779 -17.237 8.986 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.474 -13.572 10.161 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.891 -13.275 10.334 1.00 0.00 C ATOM 1994 C ALA A 127 -6.543 -12.915 9.003 1.00 0.00 C ATOM 1995 O ALA A 127 -7.688 -13.283 8.743 1.00 0.00 O ATOM 1996 CB ALA A 127 -6.074 -12.146 11.336 1.00 0.00 C ATOM 0 H ALA A 127 -3.861 -13.110 10.833 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.381 -14.170 10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.137 -11.934 11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.652 -12.440 12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.565 -11.253 10.975 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.806 -12.193 8.165 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.313 -11.784 6.861 1.00 0.00 C ATOM 2004 C ILE A 128 -6.527 -12.989 5.951 1.00 0.00 C ATOM 2005 O ILE A 128 -7.639 -13.238 5.484 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.355 -10.796 6.169 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.277 -9.489 6.961 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -5.809 -10.531 4.741 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.078 -8.638 6.604 1.00 0.00 C ATOM 0 H ILE A 128 -4.856 -11.880 8.366 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.269 -11.289 7.035 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.360 -11.239 6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.186 -8.913 6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.245 -9.720 8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.122 -9.831 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -5.818 -11.467 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -6.812 -10.105 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.087 -7.728 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.163 -9.196 6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.119 -8.377 5.547 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.456 -13.735 5.706 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.526 -14.916 4.853 1.00 0.00 C ATOM 2023 C LEU A 129 -6.743 -15.767 5.201 1.00 0.00 C ATOM 2024 O LEU A 129 -7.432 -16.273 4.315 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.250 -15.748 4.995 1.00 0.00 C ATOM 2026 CG LEU A 129 -3.015 -15.213 4.270 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -1.793 -16.055 4.603 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -3.251 -15.182 2.767 1.00 0.00 C ATOM 0 H LEU A 129 -4.529 -13.543 6.086 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.622 -14.583 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.014 -15.836 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.454 -16.754 4.629 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.831 -14.194 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.924 -15.659 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.612 -16.025 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.966 -17.086 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.362 -14.798 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.461 -16.190 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.099 -14.535 2.545 1.00 0.00 H new ATOM 2040 N ALA A 130 -7.002 -15.919 6.495 1.00 0.00 N ATOM 2041 CA ALA A 130 -8.139 -16.705 6.960 1.00 0.00 C ATOM 2042 C ALA A 130 -9.449 -15.953 6.749 1.00 0.00 C ATOM 2043 O ALA A 130 -10.327 -16.409 6.017 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.966 -17.067 8.427 1.00 0.00 C ATOM 0 H ALA A 130 -6.440 -15.508 7.241 1.00 0.00 H new ATOM 0 HA ALA A 130 -8.179 -17.623 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.822 -17.654 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.055 -17.652 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.897 -16.156 9.021 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.574 -14.799 7.396 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.778 -13.985 7.281 1.00 0.00 C ATOM 2052 C PHE A 131 -11.336 -14.036 5.862 1.00 0.00 C ATOM 2053 O PHE A 131 -12.498 -14.387 5.651 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.479 -12.536 7.671 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.629 -11.600 7.429 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -12.745 -11.627 8.249 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.593 -10.695 6.381 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -13.805 -10.767 8.029 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -12.649 -9.832 6.157 1.00 0.00 C ATOM 2060 CZ PHE A 131 -13.757 -9.869 6.981 1.00 0.00 C ATOM 0 H PHE A 131 -8.856 -14.407 8.005 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.526 -14.391 7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.208 -12.501 8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.613 -12.188 7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -12.788 -12.328 9.070 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -10.730 -10.663 5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -14.669 -10.797 8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -12.608 -9.129 5.338 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.584 -9.197 6.806 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.500 -13.684 4.891 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.908 -13.689 3.491 1.00 0.00 C ATOM 2072 C LEU A 132 -11.621 -14.990 3.136 1.00 0.00 C ATOM 2073 O LEU A 132 -12.668 -14.979 2.488 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.691 -13.498 2.584 1.00 0.00 C ATOM 2075 CG LEU A 132 -8.895 -12.209 2.792 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.557 -12.286 2.074 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -9.692 -11.006 2.311 1.00 0.00 C ATOM 0 H LEU A 132 -9.536 -13.392 5.048 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.602 -12.862 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.019 -14.344 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -10.027 -13.531 1.547 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.705 -12.090 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.005 -11.360 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -6.981 -13.124 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.725 -12.429 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.110 -10.098 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -9.914 -11.117 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.625 -10.940 2.871 1.00 0.00 H new ATOM 2089 N SER A 133 -11.048 -16.109 3.566 1.00 0.00 N ATOM 2090 CA SER A 133 -11.628 -17.419 3.293 1.00 0.00 C ATOM 2091 C SER A 133 -13.036 -17.521 3.871 1.00 0.00 C ATOM 2092 O SER A 133 -13.943 -18.064 3.238 1.00 0.00 O ATOM 2093 CB SER A 133 -10.744 -18.524 3.875 1.00 0.00 C ATOM 2094 OG SER A 133 -10.939 -19.748 3.188 1.00 0.00 O ATOM 0 H SER A 133 -10.182 -16.135 4.105 1.00 0.00 H new ATOM 0 HA SER A 133 -11.688 -17.544 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.697 -18.229 3.809 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.971 -18.657 4.933 1.00 0.00 H new ATOM 0 HG SER A 133 -10.362 -20.437 3.578 1.00 0.00 H new ATOM 2100 N LEU A 134 -13.212 -16.995 5.078 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.510 -17.026 5.744 1.00 0.00 C ATOM 2102 C LEU A 134 -15.576 -16.346 4.892 1.00 0.00 C ATOM 2103 O LEU A 134 -16.691 -16.849 4.757 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.420 -16.344 7.110 1.00 0.00 C ATOM 2105 CG LEU A 134 -13.283 -16.810 8.020 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -13.210 -15.944 9.268 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -13.466 -18.273 8.395 1.00 0.00 C ATOM 0 H LEU A 134 -12.473 -16.542 5.616 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.795 -18.069 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.315 -15.271 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -15.364 -16.498 7.633 1.00 0.00 H new ATOM 0 HG LEU A 134 -12.344 -16.709 7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -12.395 -16.290 9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -13.032 -14.908 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -14.151 -16.013 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -12.648 -18.588 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -14.413 -18.398 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -13.468 -18.883 7.491 1.00 0.00 H new