USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 776 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 88 HIS : no HE2:sc= -27.1! C(o=-28!,f=-36!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.0997 USER MOD Set 1.3: A 99 CYS SG : rot -112:sc= -0.528! USER MOD Set 2.1: A 41 MET CE :methyl 145:sc= -0.0983 (180deg=-0.45) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -0.0209 USER MOD Set 3.1: A 28 MET CE :methyl -117:sc= -26.7! (180deg=-28!) USER MOD Set 3.2: A 80 MET CE :methyl 180:sc= -5.67! (180deg=-5.64!) USER MOD Set 4.1: A 21 MET CE :methyl 177:sc= -1.57 (180deg=-1.17) USER MOD Set 4.2: A 83 HIS : no HD1:sc= -3.06 K(o=-4.6,f=-8.2!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= 0 USER MOD Single : A 22 SER OG : rot 49:sc= 0.264 USER MOD Single : A 29 GLN : amide:sc= -0.179 K(o=-0.18,f=-1) USER MOD Single : A 33 SER OG : rot 80:sc= -0.464 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -4.33! C(o=-4.3!,f=-7!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -7.84! C(o=-15!,f=-7.8!) USER MOD Single : A 68 LYS NZ :NH3+ -126:sc= -0.14 (180deg=-2.19) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 161:sc= -5.28! USER MOD Single : A 78 SER OG : rot 93:sc= 1.12 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.421 (180deg=-1.21) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -9:sc= 1.93 USER MOD Single : A 96 SER OG : rot 58:sc= 0.116 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -156:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 0.833 11.896 -10.220 1.00 0.00 N ATOM 2 CA GLU A 12 1.096 10.579 -9.673 1.00 0.00 C ATOM 3 C GLU A 12 1.721 10.706 -8.291 1.00 0.00 C ATOM 4 O GLU A 12 2.497 11.625 -8.039 1.00 0.00 O ATOM 5 CB GLU A 12 2.019 9.813 -10.615 1.00 0.00 C ATOM 6 CG GLU A 12 2.293 8.426 -10.043 1.00 0.00 C ATOM 7 CD GLU A 12 1.396 7.383 -10.694 1.00 0.00 C ATOM 8 OE1 GLU A 12 0.164 7.593 -10.660 1.00 0.00 O ATOM 9 OE2 GLU A 12 1.959 6.395 -11.213 1.00 0.00 O ATOM 0 HA GLU A 12 0.160 10.030 -9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.561 9.728 -11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.955 10.356 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.339 8.163 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.127 8.433 -8.966 1.00 0.00 H new ATOM 17 N ALA A 13 1.380 9.778 -7.393 1.00 0.00 N ATOM 18 CA ALA A 13 1.907 9.790 -6.043 1.00 0.00 C ATOM 19 C ALA A 13 3.401 10.076 -6.076 1.00 0.00 C ATOM 20 O ALA A 13 4.020 10.038 -7.138 1.00 0.00 O ATOM 21 CB ALA A 13 1.628 8.446 -5.378 1.00 0.00 C ATOM 0 H ALA A 13 0.738 9.009 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 13 1.420 10.575 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.024 8.453 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.552 8.272 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.108 7.651 -5.949 1.00 0.00 H new ATOM 27 N PRO A 14 3.981 10.364 -4.909 1.00 0.00 N ATOM 28 CA PRO A 14 5.389 10.661 -4.748 1.00 0.00 C ATOM 29 C PRO A 14 6.202 9.385 -4.918 1.00 0.00 C ATOM 30 O PRO A 14 7.419 9.396 -4.749 1.00 0.00 O ATOM 31 CB PRO A 14 5.514 11.204 -3.327 1.00 0.00 C ATOM 32 CG PRO A 14 4.388 10.484 -2.588 1.00 0.00 C ATOM 33 CD PRO A 14 3.285 10.418 -3.642 1.00 0.00 C ATOM 0 HA PRO A 14 5.759 11.375 -5.484 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.489 10.981 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.391 12.287 -3.296 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.691 9.491 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.069 11.033 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.655 9.540 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.633 11.290 -3.586 1.00 0.00 H new ATOM 41 N LEU A 15 5.525 8.284 -5.253 1.00 0.00 N ATOM 42 CA LEU A 15 6.186 7.008 -5.443 1.00 0.00 C ATOM 43 C LEU A 15 6.000 6.538 -6.878 1.00 0.00 C ATOM 44 O LEU A 15 5.539 7.298 -7.728 1.00 0.00 O ATOM 45 CB LEU A 15 5.613 5.989 -4.462 1.00 0.00 C ATOM 46 CG LEU A 15 4.657 6.689 -3.501 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.591 5.702 -3.034 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.437 7.205 -2.295 1.00 0.00 C ATOM 0 H LEU A 15 4.515 8.260 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 15 7.254 7.116 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.089 5.202 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.419 5.511 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 15 4.178 7.526 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.908 6.202 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.034 5.333 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.068 4.865 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.755 7.705 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.916 6.368 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.198 7.910 -2.629 1.00 0.00 H new ATOM 60 N THR A 16 6.361 5.282 -7.149 1.00 0.00 N ATOM 61 CA THR A 16 6.230 4.722 -8.479 1.00 0.00 C ATOM 62 C THR A 16 6.005 3.220 -8.390 1.00 0.00 C ATOM 63 O THR A 16 5.080 2.690 -9.002 1.00 0.00 O ATOM 64 CB THR A 16 7.487 5.033 -9.287 1.00 0.00 C ATOM 65 OG1 THR A 16 8.096 6.199 -8.778 1.00 0.00 O ATOM 66 CG2 THR A 16 7.110 5.254 -10.749 1.00 0.00 C ATOM 0 H THR A 16 6.746 4.639 -6.457 1.00 0.00 H new ATOM 0 HA THR A 16 5.371 5.167 -8.980 1.00 0.00 H new ATOM 0 HB THR A 16 8.183 4.197 -9.213 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.904 6.399 -9.295 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.007 5.476 -11.327 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.638 4.354 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.415 6.090 -10.823 1.00 0.00 H new ATOM 74 N VAL A 17 6.855 2.533 -7.623 1.00 0.00 N ATOM 75 CA VAL A 17 6.747 1.098 -7.457 1.00 0.00 C ATOM 76 C VAL A 17 8.000 0.562 -6.778 1.00 0.00 C ATOM 77 O VAL A 17 7.936 -0.416 -6.037 1.00 0.00 O ATOM 78 CB VAL A 17 6.547 0.442 -8.820 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.592 -0.653 -9.016 1.00 0.00 C ATOM 80 CG2 VAL A 17 5.151 -0.170 -8.890 1.00 0.00 C ATOM 0 H VAL A 17 7.626 2.958 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 17 5.888 0.864 -6.827 1.00 0.00 H new ATOM 0 HB VAL A 17 6.655 1.192 -9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.449 -1.122 -9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.590 -0.217 -8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.484 -1.403 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.008 -0.639 -9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.043 -0.920 -8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.404 0.611 -8.750 1.00 0.00 H new ATOM 90 N LYS A 18 9.141 1.206 -7.034 1.00 0.00 N ATOM 91 CA LYS A 18 10.399 0.791 -6.447 1.00 0.00 C ATOM 92 C LYS A 18 10.729 1.673 -5.251 1.00 0.00 C ATOM 93 O LYS A 18 11.665 1.390 -4.507 1.00 0.00 O ATOM 94 CB LYS A 18 11.501 0.872 -7.499 1.00 0.00 C ATOM 95 CG LYS A 18 11.291 -0.222 -8.541 1.00 0.00 C ATOM 96 CD LYS A 18 12.524 -1.119 -8.596 1.00 0.00 C ATOM 97 CE LYS A 18 12.135 -2.487 -9.148 1.00 0.00 C ATOM 98 NZ LYS A 18 13.297 -3.167 -9.741 1.00 0.00 N ATOM 0 H LYS A 18 9.210 2.018 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 18 10.320 -0.239 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.491 1.851 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.477 0.758 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.410 -0.813 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.109 0.223 -9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.289 -0.665 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.954 -1.226 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.719 -3.101 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.354 -2.371 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.006 -4.095 -10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.677 -2.590 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.031 -3.297 -9.015 1.00 0.00 H new ATOM 112 N SER A 19 9.956 2.747 -5.069 1.00 0.00 N ATOM 113 CA SER A 19 10.170 3.662 -3.966 1.00 0.00 C ATOM 114 C SER A 19 10.523 2.882 -2.708 1.00 0.00 C ATOM 115 O SER A 19 10.013 1.785 -2.491 1.00 0.00 O ATOM 116 CB SER A 19 8.911 4.498 -3.749 1.00 0.00 C ATOM 117 OG SER A 19 9.222 5.864 -3.908 1.00 0.00 O ATOM 0 H SER A 19 9.177 2.997 -5.678 1.00 0.00 H new ATOM 0 HA SER A 19 10.999 4.330 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.139 4.204 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.510 4.319 -2.751 1.00 0.00 H new ATOM 0 HG SER A 19 8.533 6.409 -3.473 1.00 0.00 H new ATOM 123 N ASP A 20 11.398 3.452 -1.877 1.00 0.00 N ATOM 124 CA ASP A 20 11.814 2.809 -0.646 1.00 0.00 C ATOM 125 C ASP A 20 10.623 2.120 0.003 1.00 0.00 C ATOM 126 O ASP A 20 9.674 2.780 0.420 1.00 0.00 O ATOM 127 CB ASP A 20 12.415 3.851 0.293 1.00 0.00 C ATOM 128 CG ASP A 20 13.814 3.445 0.733 1.00 0.00 C ATOM 129 OD1 ASP A 20 13.898 2.573 1.625 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.774 4.013 0.169 1.00 0.00 O ATOM 0 H ASP A 20 11.829 4.361 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 20 12.571 2.055 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.454 4.818 -0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.775 3.970 1.167 1.00 0.00 H new ATOM 136 N MET A 21 10.673 0.789 0.087 1.00 0.00 N ATOM 137 CA MET A 21 9.597 0.021 0.683 1.00 0.00 C ATOM 138 C MET A 21 9.150 0.677 1.982 1.00 0.00 C ATOM 139 O MET A 21 7.961 0.701 2.291 1.00 0.00 O ATOM 140 CB MET A 21 10.072 -1.407 0.935 1.00 0.00 C ATOM 141 CG MET A 21 9.794 -2.260 -0.299 1.00 0.00 C ATOM 142 SD MET A 21 10.924 -1.948 -1.678 1.00 0.00 S ATOM 143 CE MET A 21 12.483 -2.417 -0.887 1.00 0.00 C ATOM 0 H MET A 21 11.453 0.227 -0.253 1.00 0.00 H new ATOM 0 HA MET A 21 8.746 -0.007 0.003 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.138 -1.412 1.161 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.560 -1.824 1.802 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.856 -3.312 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.772 -2.078 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.295 -2.340 -1.610 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.680 -1.751 -0.047 1.00 0.00 H new ATOM 0 HE3 MET A 21 12.414 -3.444 -0.527 1.00 0.00 H new ATOM 153 N SER A 22 10.109 1.211 2.742 1.00 0.00 N ATOM 154 CA SER A 22 9.810 1.864 4.001 1.00 0.00 C ATOM 155 C SER A 22 9.014 3.137 3.746 1.00 0.00 C ATOM 156 O SER A 22 8.144 3.496 4.536 1.00 0.00 O ATOM 157 CB SER A 22 11.112 2.178 4.732 1.00 0.00 C ATOM 158 OG SER A 22 10.819 2.730 5.996 1.00 0.00 O ATOM 0 H SER A 22 11.100 1.199 2.499 1.00 0.00 H new ATOM 0 HA SER A 22 9.209 1.202 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.705 1.271 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.710 2.877 4.148 1.00 0.00 H new ATOM 0 HG SER A 22 10.150 2.175 6.448 1.00 0.00 H new ATOM 164 N ALA A 23 9.314 3.818 2.637 1.00 0.00 N ATOM 165 CA ALA A 23 8.627 5.044 2.284 1.00 0.00 C ATOM 166 C ALA A 23 7.214 4.727 1.816 1.00 0.00 C ATOM 167 O ALA A 23 6.295 5.513 2.033 1.00 0.00 O ATOM 168 CB ALA A 23 9.410 5.767 1.192 1.00 0.00 C ATOM 0 H ALA A 23 10.032 3.532 1.972 1.00 0.00 H new ATOM 0 HA ALA A 23 8.561 5.694 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.895 6.690 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.410 6.002 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.485 5.126 0.313 1.00 0.00 H new ATOM 174 N ILE A 24 7.043 3.570 1.171 1.00 0.00 N ATOM 175 CA ILE A 24 5.746 3.154 0.676 1.00 0.00 C ATOM 176 C ILE A 24 4.821 2.853 1.847 1.00 0.00 C ATOM 177 O ILE A 24 3.755 3.454 1.969 1.00 0.00 O ATOM 178 CB ILE A 24 5.912 1.925 -0.213 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.630 2.320 -1.500 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.538 1.353 -0.551 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.857 3.440 -2.190 1.00 0.00 C ATOM 0 H ILE A 24 7.796 2.908 0.983 1.00 0.00 H new ATOM 0 HA ILE A 24 5.303 3.955 0.085 1.00 0.00 H new ATOM 0 HB ILE A 24 6.499 1.173 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.645 2.648 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.712 1.458 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.656 0.475 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.026 1.070 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.950 2.105 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.369 3.723 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.850 3.095 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.798 4.303 -1.527 1.00 0.00 H new ATOM 193 N VAL A 25 5.231 1.920 2.710 1.00 0.00 N ATOM 194 CA VAL A 25 4.439 1.545 3.864 1.00 0.00 C ATOM 195 C VAL A 25 4.214 2.761 4.751 1.00 0.00 C ATOM 196 O VAL A 25 3.112 2.970 5.253 1.00 0.00 O ATOM 197 CB VAL A 25 5.155 0.439 4.634 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.192 -0.190 5.635 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.642 -0.627 3.657 1.00 0.00 C ATOM 0 H VAL A 25 6.112 1.414 2.623 1.00 0.00 H new ATOM 0 HA VAL A 25 3.468 1.172 3.538 1.00 0.00 H new ATOM 0 HB VAL A 25 6.007 0.860 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.703 -0.980 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.844 0.571 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.339 -0.612 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.154 -1.417 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.790 -1.049 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.331 -0.178 2.942 1.00 0.00 H new ATOM 209 N ARG A 26 5.263 3.565 4.943 1.00 0.00 N ATOM 210 CA ARG A 26 5.175 4.753 5.767 1.00 0.00 C ATOM 211 C ARG A 26 4.045 5.643 5.269 1.00 0.00 C ATOM 212 O ARG A 26 3.241 6.131 6.061 1.00 0.00 O ATOM 213 CB ARG A 26 6.507 5.497 5.728 1.00 0.00 C ATOM 214 CG ARG A 26 6.292 6.947 6.153 1.00 0.00 C ATOM 215 CD ARG A 26 6.140 7.824 4.914 1.00 0.00 C ATOM 216 NE ARG A 26 6.330 9.237 5.244 1.00 0.00 N ATOM 217 CZ ARG A 26 6.488 10.185 4.310 1.00 0.00 C ATOM 218 NH1 ARG A 26 6.475 9.856 3.012 1.00 0.00 N ATOM 219 NH2 ARG A 26 6.659 11.463 4.676 1.00 0.00 N ATOM 0 H ARG A 26 6.183 3.406 4.533 1.00 0.00 H new ATOM 0 HA ARG A 26 4.961 4.471 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.225 5.015 6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.927 5.460 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.403 7.026 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.135 7.290 6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.867 7.522 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.151 7.678 4.480 1.00 0.00 H new ATOM 0 HE ARG A 26 6.343 9.512 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.345 8.883 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.595 10.578 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.669 11.713 5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.779 12.185 3.966 1.00 0.00 H new ATOM 233 N VAL A 27 3.986 5.855 3.952 1.00 0.00 N ATOM 234 CA VAL A 27 2.957 6.683 3.356 1.00 0.00 C ATOM 235 C VAL A 27 1.584 6.124 3.697 1.00 0.00 C ATOM 236 O VAL A 27 0.784 6.792 4.348 1.00 0.00 O ATOM 237 CB VAL A 27 3.160 6.736 1.844 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.966 7.429 1.195 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.434 7.515 1.529 1.00 0.00 C ATOM 0 H VAL A 27 4.646 5.459 3.283 1.00 0.00 H new ATOM 0 HA VAL A 27 3.024 7.696 3.754 1.00 0.00 H new ATOM 0 HB VAL A 27 3.248 5.722 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.110 7.467 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.056 6.873 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.877 8.443 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.580 7.553 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.346 8.529 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.287 7.020 1.993 1.00 0.00 H new ATOM 249 N MET A 28 1.311 4.894 3.256 1.00 0.00 N ATOM 250 CA MET A 28 0.037 4.255 3.516 1.00 0.00 C ATOM 251 C MET A 28 -0.335 4.419 4.983 1.00 0.00 C ATOM 252 O MET A 28 -1.510 4.551 5.318 1.00 0.00 O ATOM 253 CB MET A 28 0.123 2.778 3.144 1.00 0.00 C ATOM 254 CG MET A 28 0.611 2.644 1.704 1.00 0.00 C ATOM 255 SD MET A 28 0.043 1.141 0.872 1.00 0.00 S ATOM 256 CE MET A 28 0.720 -0.093 2.010 1.00 0.00 C ATOM 0 H MET A 28 1.964 4.326 2.716 1.00 0.00 H new ATOM 0 HA MET A 28 -0.738 4.725 2.910 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.804 2.261 3.820 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.854 2.307 3.254 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.275 3.511 1.135 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.701 2.661 1.697 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.455 -0.706 1.487 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.199 0.411 2.850 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.085 -0.728 2.379 1.00 0.00 H new ATOM 266 N GLN A 29 0.673 4.411 5.859 1.00 0.00 N ATOM 267 CA GLN A 29 0.448 4.557 7.283 1.00 0.00 C ATOM 268 C GLN A 29 -0.086 5.952 7.581 1.00 0.00 C ATOM 269 O GLN A 29 -1.062 6.102 8.312 1.00 0.00 O ATOM 270 CB GLN A 29 1.754 4.307 8.031 1.00 0.00 C ATOM 271 CG GLN A 29 1.808 2.852 8.490 1.00 0.00 C ATOM 272 CD GLN A 29 3.167 2.523 9.091 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.773 1.511 8.743 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.645 3.380 9.996 1.00 0.00 N ATOM 0 H GLN A 29 1.653 4.304 5.597 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.291 3.828 7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.604 4.527 7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.826 4.973 8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.026 2.670 9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.610 2.192 7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.104 4.206 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.551 3.209 10.432 1.00 0.00 H new ATOM 283 N LEU A 30 0.559 6.973 7.013 1.00 0.00 N ATOM 284 CA LEU A 30 0.148 8.347 7.219 1.00 0.00 C ATOM 285 C LEU A 30 -1.372 8.434 7.240 1.00 0.00 C ATOM 286 O LEU A 30 -2.042 7.815 6.417 1.00 0.00 O ATOM 287 CB LEU A 30 0.724 9.222 6.109 1.00 0.00 C ATOM 288 CG LEU A 30 2.230 9.368 6.306 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.789 10.332 5.264 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.509 9.912 7.705 1.00 0.00 C ATOM 0 H LEU A 30 1.371 6.864 6.405 1.00 0.00 H new ATOM 0 HA LEU A 30 0.526 8.703 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.515 8.778 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.248 10.203 6.120 1.00 0.00 H new ATOM 0 HG LEU A 30 2.707 8.395 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.865 10.436 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.590 9.944 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.312 11.306 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.585 10.017 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.032 10.885 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.110 9.223 8.450 1.00 0.00 H new ATOM 302 N PRO A 31 -1.914 9.206 8.184 1.00 0.00 N ATOM 303 CA PRO A 31 -3.336 9.409 8.355 1.00 0.00 C ATOM 304 C PRO A 31 -3.865 10.290 7.232 1.00 0.00 C ATOM 305 O PRO A 31 -5.055 10.594 7.185 1.00 0.00 O ATOM 306 CB PRO A 31 -3.473 10.105 9.707 1.00 0.00 C ATOM 307 CG PRO A 31 -2.166 10.890 9.817 1.00 0.00 C ATOM 308 CD PRO A 31 -1.155 9.948 9.167 1.00 0.00 C ATOM 0 HA PRO A 31 -3.904 8.479 8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.343 10.761 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.585 9.389 10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.222 11.846 9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.909 11.107 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.341 10.503 8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.705 9.282 9.904 1.00 0.00 H new ATOM 316 N ASP A 32 -2.975 10.702 6.325 1.00 0.00 N ATOM 317 CA ASP A 32 -3.355 11.547 5.211 1.00 0.00 C ATOM 318 C ASP A 32 -2.802 10.970 3.915 1.00 0.00 C ATOM 319 O ASP A 32 -2.506 11.711 2.981 1.00 0.00 O ATOM 320 CB ASP A 32 -2.828 12.960 5.442 1.00 0.00 C ATOM 321 CG ASP A 32 -3.971 13.963 5.514 1.00 0.00 C ATOM 322 OD1 ASP A 32 -5.132 13.505 5.439 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.663 15.167 5.643 1.00 0.00 O ATOM 0 H ASP A 32 -1.985 10.458 6.349 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.442 11.587 5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.253 12.991 6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.148 13.235 4.635 1.00 0.00 H new ATOM 329 N SER A 33 -2.664 9.644 3.862 1.00 0.00 N ATOM 330 CA SER A 33 -2.149 8.977 2.683 1.00 0.00 C ATOM 331 C SER A 33 -3.301 8.563 1.779 1.00 0.00 C ATOM 332 O SER A 33 -3.397 9.020 0.642 1.00 0.00 O ATOM 333 CB SER A 33 -1.328 7.761 3.104 1.00 0.00 C ATOM 334 OG SER A 33 -1.976 6.585 2.674 1.00 0.00 O ATOM 0 H SER A 33 -2.905 9.016 4.629 1.00 0.00 H new ATOM 0 HA SER A 33 -1.505 9.659 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.328 7.817 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.208 7.747 4.187 1.00 0.00 H new ATOM 0 HG SER A 33 -1.783 6.433 1.725 1.00 0.00 H new ATOM 340 N GLY A 34 -4.179 7.694 2.287 1.00 0.00 N ATOM 341 CA GLY A 34 -5.318 7.227 1.521 1.00 0.00 C ATOM 342 C GLY A 34 -5.784 5.874 2.041 1.00 0.00 C ATOM 343 O GLY A 34 -6.976 5.667 2.257 1.00 0.00 O ATOM 0 H GLY A 34 -4.115 7.304 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.131 7.950 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.049 7.147 0.468 1.00 0.00 H new ATOM 347 N LEU A 35 -4.839 4.953 2.241 1.00 0.00 N ATOM 348 CA LEU A 35 -5.155 3.627 2.733 1.00 0.00 C ATOM 349 C LEU A 35 -5.422 3.682 4.230 1.00 0.00 C ATOM 350 O LEU A 35 -6.420 3.144 4.705 1.00 0.00 O ATOM 351 CB LEU A 35 -3.998 2.681 2.424 1.00 0.00 C ATOM 352 CG LEU A 35 -4.240 1.340 3.112 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.691 0.915 2.901 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.309 0.288 2.516 1.00 0.00 C ATOM 0 H LEU A 35 -3.846 5.110 2.066 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.052 3.256 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.908 2.538 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.058 3.114 2.768 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.042 1.437 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.865 -0.043 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.356 1.667 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.890 0.817 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.481 -0.670 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.507 0.190 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.273 0.592 2.666 1.00 0.00 H new ATOM 366 N GLU A 36 -4.526 4.334 4.975 1.00 0.00 N ATOM 367 CA GLU A 36 -4.673 4.455 6.412 1.00 0.00 C ATOM 368 C GLU A 36 -4.659 3.074 7.053 1.00 0.00 C ATOM 369 O GLU A 36 -5.526 2.249 6.774 1.00 0.00 O ATOM 370 CB GLU A 36 -5.974 5.186 6.729 1.00 0.00 C ATOM 371 CG GLU A 36 -5.657 6.581 7.261 1.00 0.00 C ATOM 372 CD GLU A 36 -6.318 7.651 6.405 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.653 8.105 5.449 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.477 7.997 6.723 1.00 0.00 O ATOM 0 H GLU A 36 -3.692 4.784 4.598 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.840 5.029 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.591 5.258 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.548 4.626 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.002 6.669 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.578 6.734 7.272 1.00 0.00 H new ATOM 382 N ILE A 37 -3.671 2.826 7.916 1.00 0.00 N ATOM 383 CA ILE A 37 -3.549 1.551 8.595 1.00 0.00 C ATOM 384 C ILE A 37 -3.765 1.741 10.090 1.00 0.00 C ATOM 385 O ILE A 37 -2.889 2.249 10.786 1.00 0.00 O ATOM 386 CB ILE A 37 -2.170 0.959 8.318 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.738 1.316 6.899 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.230 -0.559 8.465 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.497 0.445 5.902 1.00 0.00 C ATOM 0 H ILE A 37 -2.945 3.501 8.156 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.307 0.861 8.223 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.451 1.365 9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.935 2.370 6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.664 1.166 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.245 -0.983 8.267 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.538 -0.814 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.949 -0.965 7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.189 0.700 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.277 -0.605 6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.568 0.617 6.010 1.00 0.00 H new ATOM 401 N ARG A 38 -4.937 1.332 10.582 1.00 0.00 N ATOM 402 CA ARG A 38 -5.262 1.459 11.988 1.00 0.00 C ATOM 403 C ARG A 38 -6.668 0.935 12.241 1.00 0.00 C ATOM 404 O ARG A 38 -6.933 0.344 13.286 1.00 0.00 O ATOM 405 CB ARG A 38 -5.148 2.923 12.405 1.00 0.00 C ATOM 406 CG ARG A 38 -3.874 3.121 13.221 1.00 0.00 C ATOM 407 CD ARG A 38 -3.102 4.321 12.677 1.00 0.00 C ATOM 408 NE ARG A 38 -2.001 4.685 13.569 1.00 0.00 N ATOM 409 CZ ARG A 38 -0.833 4.029 13.585 1.00 0.00 C ATOM 410 NH1 ARG A 38 -0.635 2.992 12.760 1.00 0.00 N ATOM 411 NH2 ARG A 38 0.138 4.410 14.426 1.00 0.00 N ATOM 0 H ARG A 38 -5.674 0.909 10.017 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.563 0.870 12.582 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.131 3.563 11.523 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.018 3.214 12.993 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.123 3.280 14.270 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.255 2.225 13.173 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.710 4.087 11.687 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.776 5.169 12.561 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.128 5.472 14.206 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.374 2.702 12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.254 2.493 12.773 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.012 5.200 15.054 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.027 3.910 14.438 1.00 0.00 H new ATOM 425 N ASP A 39 -7.571 1.153 11.282 1.00 0.00 N ATOM 426 CA ASP A 39 -8.942 0.703 11.406 1.00 0.00 C ATOM 427 C ASP A 39 -9.464 0.258 10.048 1.00 0.00 C ATOM 428 O ASP A 39 -9.212 0.914 9.039 1.00 0.00 O ATOM 429 CB ASP A 39 -9.798 1.834 11.971 1.00 0.00 C ATOM 430 CG ASP A 39 -9.033 2.621 13.024 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.324 3.568 12.621 1.00 0.00 O ATOM 432 OD2 ASP A 39 -9.171 2.261 14.214 1.00 0.00 O ATOM 0 H ASP A 39 -7.367 1.642 10.410 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.990 -0.147 12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.105 2.501 11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.708 1.423 12.408 1.00 0.00 H new ATOM 438 N ARG A 40 -10.191 -0.861 10.022 1.00 0.00 N ATOM 439 CA ARG A 40 -10.742 -1.387 8.790 1.00 0.00 C ATOM 440 C ARG A 40 -12.028 -2.148 9.083 1.00 0.00 C ATOM 441 O ARG A 40 -12.459 -2.222 10.231 1.00 0.00 O ATOM 442 CB ARG A 40 -9.715 -2.299 8.124 1.00 0.00 C ATOM 443 CG ARG A 40 -8.837 -1.475 7.186 1.00 0.00 C ATOM 444 CD ARG A 40 -9.255 -1.731 5.741 1.00 0.00 C ATOM 445 NE ARG A 40 -9.497 -0.473 5.034 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.681 0.155 5.054 1.00 0.00 C ATOM 447 NH1 ARG A 40 -11.705 -0.367 5.743 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.841 1.305 4.385 1.00 0.00 N ATOM 0 H ARG A 40 -10.408 -1.417 10.850 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.975 -0.566 8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.100 -2.786 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.220 -3.088 7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.931 -0.415 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.789 -1.740 7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.477 -2.296 5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.157 -2.342 5.723 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.732 -0.056 4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.583 -1.242 6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.606 0.111 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.062 1.703 3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.742 1.783 4.400 1.00 0.00 H new ATOM 462 N MET A 41 -12.640 -2.714 8.040 1.00 0.00 N ATOM 463 CA MET A 41 -13.871 -3.462 8.194 1.00 0.00 C ATOM 464 C MET A 41 -13.702 -4.861 7.619 1.00 0.00 C ATOM 465 O MET A 41 -13.007 -5.046 6.623 1.00 0.00 O ATOM 466 CB MET A 41 -15.006 -2.723 7.490 1.00 0.00 C ATOM 467 CG MET A 41 -15.090 -1.295 8.023 1.00 0.00 C ATOM 468 SD MET A 41 -16.748 -0.575 7.936 1.00 0.00 S ATOM 469 CE MET A 41 -17.563 -1.571 9.209 1.00 0.00 C ATOM 0 H MET A 41 -12.295 -2.663 7.081 1.00 0.00 H new ATOM 0 HA MET A 41 -14.114 -3.553 9.253 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.834 -2.711 6.414 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.950 -3.241 7.657 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.754 -1.285 9.060 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.402 -0.666 7.459 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.295 -0.959 9.736 1.00 0.00 H new ATOM 0 HE2 MET A 41 -18.066 -2.418 8.742 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.819 -1.936 9.917 1.00 0.00 H new ATOM 479 N TRP A 42 -14.342 -5.849 8.249 1.00 0.00 N ATOM 480 CA TRP A 42 -14.259 -7.222 7.793 1.00 0.00 C ATOM 481 C TRP A 42 -15.342 -8.057 8.462 1.00 0.00 C ATOM 482 O TRP A 42 -15.497 -8.017 9.681 1.00 0.00 O ATOM 483 CB TRP A 42 -12.874 -7.779 8.111 1.00 0.00 C ATOM 484 CG TRP A 42 -12.679 -9.219 7.759 1.00 0.00 C ATOM 485 CD1 TRP A 42 -12.246 -10.178 8.607 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.900 -9.889 6.480 1.00 0.00 C ATOM 487 NE1 TRP A 42 -12.184 -11.386 7.945 1.00 0.00 N ATOM 488 CE2 TRP A 42 -12.577 -11.264 6.628 1.00 0.00 C ATOM 489 CE3 TRP A 42 -13.341 -9.474 5.211 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -12.684 -12.179 5.576 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -13.452 -10.383 4.149 1.00 0.00 C ATOM 492 CH2 TRP A 42 -13.125 -11.732 4.327 1.00 0.00 C ATOM 0 H TRP A 42 -14.922 -5.715 9.077 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.414 -7.260 6.715 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -12.129 -7.186 7.580 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.683 -7.651 9.176 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.988 -10.022 9.644 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.885 -12.261 8.375 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -13.599 -8.437 5.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -12.429 -13.218 5.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.793 -10.039 3.184 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.213 -12.425 3.503 1.00 0.00 H new ATOM 503 N LEU A 43 -16.093 -8.815 7.660 1.00 0.00 N ATOM 504 CA LEU A 43 -17.156 -9.654 8.176 1.00 0.00 C ATOM 505 C LEU A 43 -18.307 -8.787 8.667 1.00 0.00 C ATOM 506 O LEU A 43 -19.122 -9.232 9.472 1.00 0.00 O ATOM 507 CB LEU A 43 -16.614 -10.524 9.306 1.00 0.00 C ATOM 508 CG LEU A 43 -16.344 -11.931 8.780 1.00 0.00 C ATOM 509 CD1 LEU A 43 -14.838 -12.172 8.722 1.00 0.00 C ATOM 510 CD2 LEU A 43 -16.988 -12.954 9.712 1.00 0.00 C ATOM 0 H LEU A 43 -15.977 -8.859 6.648 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.529 -10.302 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.697 -10.091 9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -17.331 -10.562 10.126 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.767 -12.033 7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.645 -13.177 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.378 -11.441 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.415 -12.070 9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.796 -13.959 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.565 -12.852 10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.064 -12.782 9.754 1.00 0.00 H new ATOM 522 N LYS A 44 -18.371 -7.546 8.181 1.00 0.00 N ATOM 523 CA LYS A 44 -19.420 -6.626 8.573 1.00 0.00 C ATOM 524 C LYS A 44 -19.143 -6.090 9.970 1.00 0.00 C ATOM 525 O LYS A 44 -20.049 -5.599 10.640 1.00 0.00 O ATOM 526 CB LYS A 44 -20.767 -7.342 8.526 1.00 0.00 C ATOM 527 CG LYS A 44 -21.600 -6.782 7.377 1.00 0.00 C ATOM 528 CD LYS A 44 -22.862 -6.128 7.933 1.00 0.00 C ATOM 529 CE LYS A 44 -23.771 -5.713 6.781 1.00 0.00 C ATOM 530 NZ LYS A 44 -24.912 -6.633 6.651 1.00 0.00 N ATOM 0 H LYS A 44 -17.702 -7.162 7.513 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.446 -5.784 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.617 -8.413 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.295 -7.209 9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.018 -6.053 6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.867 -7.580 6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.385 -6.823 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.599 -5.258 8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -24.134 -4.699 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.202 -5.700 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.515 -6.329 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.563 -7.596 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.466 -6.626 7.531 1.00 0.00 H new ATOM 544 N ILE A 45 -17.885 -6.184 10.408 1.00 0.00 N ATOM 545 CA ILE A 45 -17.493 -5.709 11.720 1.00 0.00 C ATOM 546 C ILE A 45 -16.444 -4.615 11.578 1.00 0.00 C ATOM 547 O ILE A 45 -16.062 -4.259 10.466 1.00 0.00 O ATOM 548 CB ILE A 45 -16.952 -6.875 12.542 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.570 -8.179 12.045 1.00 0.00 C ATOM 550 CG2 ILE A 45 -17.310 -6.670 14.011 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.971 -9.352 12.815 1.00 0.00 C ATOM 0 H ILE A 45 -17.123 -6.588 9.863 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.358 -5.291 12.235 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.868 -6.923 12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.651 -8.156 12.180 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.384 -8.298 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.924 -7.503 14.599 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.869 -5.739 14.367 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.394 -6.622 14.118 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -17.412 -10.283 12.460 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.893 -9.378 12.657 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.179 -9.234 13.878 1.00 0.00 H new ATOM 563 N THR A 46 -15.977 -4.081 12.709 1.00 0.00 N ATOM 564 CA THR A 46 -14.976 -3.034 12.701 1.00 0.00 C ATOM 565 C THR A 46 -13.772 -3.459 13.529 1.00 0.00 C ATOM 566 O THR A 46 -13.927 -3.970 14.636 1.00 0.00 O ATOM 567 CB THR A 46 -15.583 -1.747 13.252 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.259 -1.066 12.218 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.474 -0.857 13.806 1.00 0.00 C ATOM 0 H THR A 46 -16.283 -4.364 13.640 1.00 0.00 H new ATOM 0 HA THR A 46 -14.642 -2.856 11.679 1.00 0.00 H new ATOM 0 HB THR A 46 -16.286 -1.990 14.049 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.651 -0.240 12.572 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.908 0.062 14.200 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.951 -1.382 14.605 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.770 -0.614 13.010 1.00 0.00 H new ATOM 577 N ILE A 47 -12.570 -3.247 12.989 1.00 0.00 N ATOM 578 CA ILE A 47 -11.346 -3.606 13.677 1.00 0.00 C ATOM 579 C ILE A 47 -10.492 -2.364 13.889 1.00 0.00 C ATOM 580 O ILE A 47 -10.741 -1.326 13.281 1.00 0.00 O ATOM 581 CB ILE A 47 -10.591 -4.650 12.859 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.424 -5.925 12.767 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.259 -4.960 13.536 1.00 0.00 C ATOM 584 CD1 ILE A 47 -12.367 -5.832 11.571 1.00 0.00 C ATOM 0 H ILE A 47 -12.427 -2.825 12.071 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.582 -4.031 14.653 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.408 -4.263 11.856 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.771 -6.792 12.662 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.996 -6.065 13.684 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.719 -5.706 12.952 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.663 -4.049 13.601 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.442 -5.347 14.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.962 -6.743 11.505 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.028 -4.975 11.695 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.785 -5.712 10.657 1.00 0.00 H new ATOM 596 N ALA A 48 -9.482 -2.473 14.756 1.00 0.00 N ATOM 597 CA ALA A 48 -8.599 -1.361 15.044 1.00 0.00 C ATOM 598 C ALA A 48 -7.203 -1.662 14.517 1.00 0.00 C ATOM 599 O ALA A 48 -6.218 -1.499 15.234 1.00 0.00 O ATOM 600 CB ALA A 48 -8.567 -1.115 16.550 1.00 0.00 C ATOM 0 H ALA A 48 -9.262 -3.327 15.268 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.967 -0.462 14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.903 -0.279 16.768 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.572 -0.882 16.902 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.203 -2.009 17.057 1.00 0.00 H new ATOM 606 N ASN A 49 -7.119 -2.102 13.259 1.00 0.00 N ATOM 607 CA ASN A 49 -5.846 -2.421 12.646 1.00 0.00 C ATOM 608 C ASN A 49 -6.037 -3.488 11.578 1.00 0.00 C ATOM 609 O ASN A 49 -6.296 -4.648 11.894 1.00 0.00 O ATOM 610 CB ASN A 49 -4.872 -2.899 13.719 1.00 0.00 C ATOM 611 CG ASN A 49 -3.953 -1.769 14.161 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.612 -0.898 13.365 1.00 0.00 O ATOM 613 ND2 ASN A 49 -3.553 -1.785 15.434 1.00 0.00 N ATOM 0 H ASN A 49 -7.926 -2.243 12.651 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.436 -1.530 12.170 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.427 -3.278 14.577 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.277 -3.727 13.333 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.937 -1.052 15.784 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.864 -2.531 16.057 1.00 0.00 H new ATOM 620 N ALA A 50 -5.909 -3.094 10.309 1.00 0.00 N ATOM 621 CA ALA A 50 -6.068 -4.016 9.202 1.00 0.00 C ATOM 622 C ALA A 50 -5.772 -3.302 7.891 1.00 0.00 C ATOM 623 O ALA A 50 -5.911 -2.085 7.799 1.00 0.00 O ATOM 624 CB ALA A 50 -7.489 -4.572 9.206 1.00 0.00 C ATOM 0 H ALA A 50 -5.695 -2.136 10.030 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.367 -4.844 9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.611 -5.266 8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.672 -5.095 10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.201 -3.753 9.102 1.00 0.00 H new ATOM 630 N VAL A 51 -5.361 -4.065 6.875 1.00 0.00 N ATOM 631 CA VAL A 51 -5.047 -3.504 5.576 1.00 0.00 C ATOM 632 C VAL A 51 -4.490 -4.590 4.667 1.00 0.00 C ATOM 633 O VAL A 51 -4.994 -4.799 3.566 1.00 0.00 O ATOM 634 CB VAL A 51 -4.040 -2.369 5.743 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.778 -1.035 5.780 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.270 -2.561 7.047 1.00 0.00 C ATOM 0 H VAL A 51 -5.240 -5.076 6.936 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.952 -3.104 5.119 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.343 -2.375 4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.059 -0.225 5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.328 -0.898 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.475 -1.028 6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.551 -1.751 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.967 -2.555 7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.742 -3.514 7.021 1.00 0.00 H new ATOM 646 N ILE A 52 -3.447 -5.283 5.132 1.00 0.00 N ATOM 647 CA ILE A 52 -2.828 -6.344 4.363 1.00 0.00 C ATOM 648 C ILE A 52 -2.423 -5.818 2.993 1.00 0.00 C ATOM 649 O ILE A 52 -2.756 -4.690 2.636 1.00 0.00 O ATOM 650 CB ILE A 52 -3.803 -7.510 4.229 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.036 -8.827 4.305 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.525 -7.418 2.888 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.024 -9.989 4.353 1.00 0.00 C ATOM 0 H ILE A 52 -3.018 -5.120 6.043 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.932 -6.695 4.875 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.532 -7.468 5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.380 -8.929 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.400 -8.839 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.222 -8.251 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.074 -6.478 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.796 -7.460 2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.477 -10.930 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.661 -9.889 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.641 -9.979 3.454 1.00 0.00 H new ATOM 665 N GLY A 53 -1.703 -6.638 2.224 1.00 0.00 N ATOM 666 CA GLY A 53 -1.260 -6.248 0.901 1.00 0.00 C ATOM 667 C GLY A 53 -2.455 -5.884 0.030 1.00 0.00 C ATOM 668 O GLY A 53 -2.354 -5.020 -0.838 1.00 0.00 O ATOM 0 H GLY A 53 -1.418 -7.577 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.581 -5.398 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.702 -7.064 0.442 1.00 0.00 H new ATOM 672 N ALA A 54 -3.590 -6.547 0.266 1.00 0.00 N ATOM 673 CA ALA A 54 -4.796 -6.293 -0.496 1.00 0.00 C ATOM 674 C ALA A 54 -5.055 -4.795 -0.566 1.00 0.00 C ATOM 675 O ALA A 54 -5.106 -4.222 -1.651 1.00 0.00 O ATOM 676 CB ALA A 54 -5.970 -7.016 0.157 1.00 0.00 C ATOM 0 H ALA A 54 -3.690 -7.265 0.984 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.676 -6.668 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.878 -6.826 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.772 -8.088 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.100 -6.652 1.176 1.00 0.00 H new ATOM 682 N ASP A 55 -5.220 -4.161 0.598 1.00 0.00 N ATOM 683 CA ASP A 55 -5.475 -2.736 0.662 1.00 0.00 C ATOM 684 C ASP A 55 -4.245 -1.972 0.193 1.00 0.00 C ATOM 685 O ASP A 55 -4.354 -1.054 -0.617 1.00 0.00 O ATOM 686 CB ASP A 55 -5.839 -2.349 2.093 1.00 0.00 C ATOM 687 CG ASP A 55 -6.956 -1.315 2.109 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.093 -0.613 1.085 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.651 -1.247 3.146 1.00 0.00 O ATOM 0 H ASP A 55 -5.180 -4.622 1.507 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.309 -2.481 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.151 -3.235 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.961 -1.949 2.600 1.00 0.00 H new ATOM 695 N VAL A 56 -3.072 -2.352 0.705 1.00 0.00 N ATOM 696 CA VAL A 56 -1.830 -1.703 0.337 1.00 0.00 C ATOM 697 C VAL A 56 -1.735 -1.595 -1.179 1.00 0.00 C ATOM 698 O VAL A 56 -1.141 -0.654 -1.700 1.00 0.00 O ATOM 699 CB VAL A 56 -0.655 -2.499 0.897 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.646 -1.755 0.611 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.826 -2.663 2.405 1.00 0.00 C ATOM 0 H VAL A 56 -2.966 -3.111 1.378 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.802 -0.697 0.756 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.623 -3.481 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.486 -2.323 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.768 -1.636 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.615 -0.773 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.013 -3.232 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.858 -1.681 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.756 -3.194 2.610 1.00 0.00 H new ATOM 711 N VAL A 57 -2.323 -2.563 -1.886 1.00 0.00 N ATOM 712 CA VAL A 57 -2.302 -2.572 -3.334 1.00 0.00 C ATOM 713 C VAL A 57 -3.323 -1.579 -3.870 1.00 0.00 C ATOM 714 O VAL A 57 -2.957 -0.588 -4.499 1.00 0.00 O ATOM 715 CB VAL A 57 -2.602 -3.981 -3.838 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.686 -3.970 -5.361 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.489 -4.927 -3.396 1.00 0.00 C ATOM 0 H VAL A 57 -2.819 -3.350 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.315 -2.276 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.552 -4.320 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.900 -4.976 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.481 -3.295 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.737 -3.631 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.703 -5.934 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.539 -4.588 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.430 -4.936 -2.308 1.00 0.00 H new ATOM 727 N ASP A 58 -4.607 -1.845 -3.620 1.00 0.00 N ATOM 728 CA ASP A 58 -5.672 -0.976 -4.078 1.00 0.00 C ATOM 729 C ASP A 58 -5.267 0.479 -3.887 1.00 0.00 C ATOM 730 O ASP A 58 -5.702 1.349 -4.638 1.00 0.00 O ATOM 731 CB ASP A 58 -6.950 -1.287 -3.304 1.00 0.00 C ATOM 732 CG ASP A 58 -8.007 -1.889 -4.219 1.00 0.00 C ATOM 733 OD1 ASP A 58 -7.613 -2.705 -5.080 1.00 0.00 O ATOM 734 OD2 ASP A 58 -9.188 -1.521 -4.041 1.00 0.00 O ATOM 0 H ASP A 58 -4.927 -2.662 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.855 -1.146 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.729 -1.980 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.335 -0.375 -2.848 1.00 0.00 H new ATOM 740 N TRP A 59 -4.431 0.742 -2.880 1.00 0.00 N ATOM 741 CA TRP A 59 -3.974 2.089 -2.602 1.00 0.00 C ATOM 742 C TRP A 59 -2.807 2.439 -3.514 1.00 0.00 C ATOM 743 O TRP A 59 -2.856 3.431 -4.238 1.00 0.00 O ATOM 744 CB TRP A 59 -3.565 2.194 -1.136 1.00 0.00 C ATOM 745 CG TRP A 59 -3.241 3.577 -0.670 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.138 4.473 -0.204 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.944 4.245 -0.616 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.489 5.642 0.133 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.132 5.557 -0.101 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.628 3.878 -0.948 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.075 6.454 0.074 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.440 4.771 -0.777 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.221 6.056 -0.268 1.00 0.00 C ATOM 0 H TRP A 59 -4.061 0.033 -2.247 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.781 2.796 -2.793 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.372 1.798 -0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.696 1.557 -0.970 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.200 4.300 -0.110 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.955 6.468 0.509 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.436 2.891 -1.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.257 7.443 0.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.441 4.464 -1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.049 6.737 -0.140 1.00 0.00 H new ATOM 764 N LEU A 60 -1.753 1.619 -3.479 1.00 0.00 N ATOM 765 CA LEU A 60 -0.580 1.844 -4.300 1.00 0.00 C ATOM 766 C LEU A 60 -1.001 2.324 -5.681 1.00 0.00 C ATOM 767 O LEU A 60 -0.342 3.176 -6.272 1.00 0.00 O ATOM 768 CB LEU A 60 0.226 0.552 -4.399 1.00 0.00 C ATOM 769 CG LEU A 60 1.199 0.468 -3.227 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.801 -0.932 -3.165 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.313 1.494 -3.417 1.00 0.00 C ATOM 0 H LEU A 60 -1.697 0.792 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 60 0.045 2.613 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.443 -0.308 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.772 0.523 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 60 0.668 0.676 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.496 -0.992 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.005 -1.665 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.332 -1.141 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.009 1.435 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.844 1.286 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.883 2.494 -3.461 1.00 0.00 H new ATOM 783 N TYR A 61 -2.104 1.776 -6.196 1.00 0.00 N ATOM 784 CA TYR A 61 -2.604 2.150 -7.503 1.00 0.00 C ATOM 785 C TYR A 61 -3.523 3.357 -7.378 1.00 0.00 C ATOM 786 O TYR A 61 -3.385 4.325 -8.123 1.00 0.00 O ATOM 787 CB TYR A 61 -3.346 0.968 -8.120 1.00 0.00 C ATOM 788 CG TYR A 61 -4.031 1.300 -9.424 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.313 1.248 -10.625 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.383 1.660 -9.433 1.00 0.00 C ATOM 791 CE1 TYR A 61 -3.948 1.555 -11.834 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.019 1.968 -10.642 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.301 1.915 -11.843 1.00 0.00 C ATOM 794 OH TYR A 61 -5.920 2.215 -13.021 1.00 0.00 O ATOM 0 H TYR A 61 -2.664 1.070 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.771 2.418 -8.152 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.641 0.154 -8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.090 0.606 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.269 0.971 -10.618 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.937 1.700 -8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.394 1.514 -12.760 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.063 2.246 -10.648 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.858 2.443 -12.849 1.00 0.00 H new ATOM 804 N THR A 62 -4.464 3.299 -6.433 1.00 0.00 N ATOM 805 CA THR A 62 -5.396 4.388 -6.218 1.00 0.00 C ATOM 806 C THR A 62 -4.641 5.643 -5.805 1.00 0.00 C ATOM 807 O THR A 62 -5.215 6.729 -5.758 1.00 0.00 O ATOM 808 CB THR A 62 -6.407 3.987 -5.147 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.239 2.964 -5.646 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.257 5.197 -4.772 1.00 0.00 C ATOM 0 H THR A 62 -4.594 2.504 -5.807 1.00 0.00 H new ATOM 0 HA THR A 62 -5.931 4.600 -7.144 1.00 0.00 H new ATOM 0 HB THR A 62 -5.878 3.627 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.781 2.101 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.979 4.911 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.614 5.988 -4.386 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.786 5.557 -5.654 1.00 0.00 H new ATOM 818 N HIS A 63 -3.349 5.493 -5.504 1.00 0.00 N ATOM 819 CA HIS A 63 -2.527 6.615 -5.095 1.00 0.00 C ATOM 820 C HIS A 63 -1.519 6.945 -6.187 1.00 0.00 C ATOM 821 O HIS A 63 -1.593 8.006 -6.803 1.00 0.00 O ATOM 822 CB HIS A 63 -1.817 6.273 -3.789 1.00 0.00 C ATOM 823 CG HIS A 63 -1.768 7.434 -2.834 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.744 8.334 -2.708 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -2.746 7.783 -1.930 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -1.099 9.248 -1.712 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -2.313 8.875 -1.274 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.856 4.601 -5.538 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.156 7.491 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.327 5.436 -3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.801 5.945 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.686 7.275 -1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.514 10.087 -1.364 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.836 9.355 -0.542 1.00 0.00 H new ATOM 835 N VAL A 64 -0.574 6.032 -6.425 1.00 0.00 N ATOM 836 CA VAL A 64 0.442 6.230 -7.438 1.00 0.00 C ATOM 837 C VAL A 64 0.341 5.134 -8.489 1.00 0.00 C ATOM 838 O VAL A 64 -0.601 4.344 -8.477 1.00 0.00 O ATOM 839 CB VAL A 64 1.820 6.225 -6.782 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.811 7.153 -5.571 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.165 4.807 -6.334 1.00 0.00 C ATOM 0 H VAL A 64 -0.499 5.148 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 64 0.291 7.192 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 64 2.565 6.571 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.795 7.149 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.565 8.166 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.066 6.808 -4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.149 4.803 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.420 4.461 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.172 4.144 -7.199 1.00 0.00 H new ATOM 851 N GLU A 65 1.315 5.086 -9.401 1.00 0.00 N ATOM 852 CA GLU A 65 1.328 4.087 -10.451 1.00 0.00 C ATOM 853 C GLU A 65 2.745 3.903 -10.975 1.00 0.00 C ATOM 854 O GLU A 65 3.654 4.632 -10.585 1.00 0.00 O ATOM 855 CB GLU A 65 0.388 4.518 -11.573 1.00 0.00 C ATOM 856 CG GLU A 65 0.800 5.897 -12.080 1.00 0.00 C ATOM 857 CD GLU A 65 0.485 6.048 -13.561 1.00 0.00 C ATOM 858 OE1 GLU A 65 -0.651 6.477 -13.859 1.00 0.00 O ATOM 859 OE2 GLU A 65 1.385 5.731 -14.368 1.00 0.00 O ATOM 0 H GLU A 65 2.103 5.733 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 65 0.985 3.132 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.421 3.794 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.640 4.544 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.279 6.668 -11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.867 6.046 -11.914 1.00 0.00 H new ATOM 867 N GLY A 66 2.932 2.923 -11.863 1.00 0.00 N ATOM 868 CA GLY A 66 4.237 2.652 -12.433 1.00 0.00 C ATOM 869 C GLY A 66 4.376 1.170 -12.751 1.00 0.00 C ATOM 870 O GLY A 66 5.237 0.780 -13.536 1.00 0.00 O ATOM 0 H GLY A 66 2.190 2.308 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.375 3.240 -13.340 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.017 2.956 -11.735 1.00 0.00 H new ATOM 874 N PHE A 67 3.525 0.344 -12.139 1.00 0.00 N ATOM 875 CA PHE A 67 3.558 -1.087 -12.361 1.00 0.00 C ATOM 876 C PHE A 67 2.793 -1.431 -13.631 1.00 0.00 C ATOM 877 O PHE A 67 1.763 -0.826 -13.921 1.00 0.00 O ATOM 878 CB PHE A 67 2.955 -1.802 -11.155 1.00 0.00 C ATOM 879 CG PHE A 67 3.576 -1.395 -9.840 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.968 -1.405 -9.691 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.761 -1.006 -8.771 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.545 -1.026 -8.473 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.337 -0.627 -7.553 1.00 0.00 C ATOM 884 CZ PHE A 67 4.729 -0.637 -7.404 1.00 0.00 C ATOM 0 H PHE A 67 2.805 0.652 -11.485 1.00 0.00 H new ATOM 0 HA PHE A 67 4.590 -1.416 -12.483 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.885 -1.599 -11.120 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.071 -2.878 -11.285 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.597 -1.705 -10.516 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.687 -0.998 -8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.619 -1.034 -8.358 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.708 -0.327 -6.728 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.173 -0.345 -6.464 1.00 0.00 H new ATOM 894 N LYS A 68 3.298 -2.407 -14.389 1.00 0.00 N ATOM 895 CA LYS A 68 2.660 -2.824 -15.622 1.00 0.00 C ATOM 896 C LYS A 68 1.148 -2.841 -15.442 1.00 0.00 C ATOM 897 O LYS A 68 0.427 -2.158 -16.166 1.00 0.00 O ATOM 898 CB LYS A 68 3.172 -4.206 -16.016 1.00 0.00 C ATOM 899 CG LYS A 68 2.231 -4.822 -17.048 1.00 0.00 C ATOM 900 CD LYS A 68 1.527 -6.030 -16.438 1.00 0.00 C ATOM 901 CE LYS A 68 0.680 -6.718 -17.505 1.00 0.00 C ATOM 902 NZ LYS A 68 -0.506 -7.352 -16.910 1.00 0.00 N ATOM 0 H LYS A 68 4.150 -2.920 -14.162 1.00 0.00 H new ATOM 0 HA LYS A 68 2.903 -2.119 -16.417 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.179 -4.129 -16.426 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.234 -4.847 -15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.496 -4.085 -17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.792 -5.123 -17.933 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.262 -6.728 -16.036 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.897 -5.715 -15.606 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.370 -5.989 -18.254 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.278 -7.469 -18.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.539 -8.354 -17.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.456 -7.279 -15.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.364 -6.872 -17.250 1.00 0.00 H new ATOM 916 N GLU A 69 0.669 -3.624 -14.473 1.00 0.00 N ATOM 917 CA GLU A 69 -0.751 -3.723 -14.205 1.00 0.00 C ATOM 918 C GLU A 69 -0.980 -4.342 -12.833 1.00 0.00 C ATOM 919 O GLU A 69 -0.030 -4.586 -12.093 1.00 0.00 O ATOM 920 CB GLU A 69 -1.416 -4.561 -15.294 1.00 0.00 C ATOM 921 CG GLU A 69 -2.850 -4.083 -15.499 1.00 0.00 C ATOM 922 CD GLU A 69 -3.197 -4.026 -16.980 1.00 0.00 C ATOM 923 OE1 GLU A 69 -3.623 -5.078 -17.504 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.030 -2.932 -17.560 1.00 0.00 O ATOM 0 H GLU A 69 1.253 -4.197 -13.864 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.194 -2.727 -14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.856 -4.476 -16.226 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.409 -5.614 -15.013 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.538 -4.754 -14.986 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.976 -3.096 -15.054 1.00 0.00 H new ATOM 932 N ARG A 70 -2.246 -4.597 -12.496 1.00 0.00 N ATOM 933 CA ARG A 70 -2.594 -5.185 -11.218 1.00 0.00 C ATOM 934 C ARG A 70 -1.589 -6.270 -10.860 1.00 0.00 C ATOM 935 O ARG A 70 -1.339 -6.523 -9.683 1.00 0.00 O ATOM 936 CB ARG A 70 -4.006 -5.759 -11.291 1.00 0.00 C ATOM 937 CG ARG A 70 -5.005 -4.716 -10.799 1.00 0.00 C ATOM 938 CD ARG A 70 -6.342 -5.390 -10.506 1.00 0.00 C ATOM 939 NE ARG A 70 -7.412 -4.400 -10.375 1.00 0.00 N ATOM 940 CZ ARG A 70 -8.710 -4.719 -10.461 1.00 0.00 C ATOM 941 NH1 ARG A 70 -9.075 -5.991 -10.676 1.00 0.00 N ATOM 942 NH2 ARG A 70 -9.645 -3.767 -10.334 1.00 0.00 N ATOM 0 H ARG A 70 -3.045 -4.401 -13.099 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.566 -4.421 -10.441 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.240 -6.048 -12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.076 -6.660 -10.682 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.626 -4.230 -9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.135 -3.938 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.584 -6.088 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.266 -5.972 -9.588 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.158 -3.426 -10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.364 -6.716 -10.774 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.064 -6.234 -10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.368 -2.799 -10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.633 -4.011 -10.400 1.00 0.00 H new ATOM 956 N ARG A 71 -1.012 -6.912 -11.878 1.00 0.00 N ATOM 957 CA ARG A 71 -0.040 -7.966 -11.666 1.00 0.00 C ATOM 958 C ARG A 71 1.191 -7.399 -10.974 1.00 0.00 C ATOM 959 O ARG A 71 1.402 -7.636 -9.786 1.00 0.00 O ATOM 960 CB ARG A 71 0.334 -8.589 -13.008 1.00 0.00 C ATOM 961 CG ARG A 71 -0.913 -9.186 -13.656 1.00 0.00 C ATOM 962 CD ARG A 71 -0.864 -10.707 -13.549 1.00 0.00 C ATOM 963 NE ARG A 71 -2.169 -11.249 -13.173 1.00 0.00 N ATOM 964 CZ ARG A 71 -2.434 -12.563 -13.161 1.00 0.00 C ATOM 965 NH1 ARG A 71 -1.481 -13.441 -13.501 1.00 0.00 N ATOM 966 NH2 ARG A 71 -3.651 -12.998 -12.808 1.00 0.00 N ATOM 0 H ARG A 71 -1.208 -6.713 -12.859 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.468 -8.739 -11.028 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.771 -7.835 -13.662 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.088 -9.363 -12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.809 -8.805 -13.165 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.971 -8.886 -14.702 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.551 -11.132 -14.503 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.118 -10.999 -12.810 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.910 -10.599 -12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.554 -13.110 -13.769 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.682 -14.441 -13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.376 -12.329 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.852 -13.998 -12.799 1.00 0.00 H new ATOM 980 N GLU A 72 2.006 -6.648 -11.719 1.00 0.00 N ATOM 981 CA GLU A 72 3.208 -6.053 -11.171 1.00 0.00 C ATOM 982 C GLU A 72 2.899 -5.397 -9.833 1.00 0.00 C ATOM 983 O GLU A 72 3.707 -5.456 -8.908 1.00 0.00 O ATOM 984 CB GLU A 72 3.764 -5.032 -12.159 1.00 0.00 C ATOM 985 CG GLU A 72 4.481 -5.758 -13.293 1.00 0.00 C ATOM 986 CD GLU A 72 5.334 -4.793 -14.103 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.253 -3.580 -13.810 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.052 -5.285 -15.000 1.00 0.00 O ATOM 0 H GLU A 72 1.847 -6.442 -12.705 1.00 0.00 H new ATOM 0 HA GLU A 72 3.958 -6.827 -11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.956 -4.420 -12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.454 -4.358 -11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.109 -6.549 -12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.749 -6.237 -13.944 1.00 0.00 H new ATOM 996 N ALA A 73 1.724 -4.771 -9.731 1.00 0.00 N ATOM 997 CA ALA A 73 1.315 -4.108 -8.510 1.00 0.00 C ATOM 998 C ALA A 73 1.363 -5.091 -7.348 1.00 0.00 C ATOM 999 O ALA A 73 2.021 -4.834 -6.342 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.094 -3.547 -8.684 1.00 0.00 C ATOM 0 H ALA A 73 1.043 -4.715 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 73 1.996 -3.285 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.403 -3.048 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.102 -2.831 -9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.785 -4.361 -8.905 1.00 0.00 H new ATOM 1006 N ARG A 74 0.664 -6.219 -7.489 1.00 0.00 N ATOM 1007 CA ARG A 74 0.630 -7.232 -6.453 1.00 0.00 C ATOM 1008 C ARG A 74 2.035 -7.758 -6.200 1.00 0.00 C ATOM 1009 O ARG A 74 2.349 -8.187 -5.091 1.00 0.00 O ATOM 1010 CB ARG A 74 -0.301 -8.363 -6.880 1.00 0.00 C ATOM 1011 CG ARG A 74 -1.015 -8.925 -5.654 1.00 0.00 C ATOM 1012 CD ARG A 74 -2.225 -9.741 -6.098 1.00 0.00 C ATOM 1013 NE ARG A 74 -3.201 -8.898 -6.790 1.00 0.00 N ATOM 1014 CZ ARG A 74 -4.382 -9.360 -7.222 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -4.711 -10.644 -7.027 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -5.234 -8.539 -7.851 1.00 0.00 N ATOM 0 H ARG A 74 0.114 -6.447 -8.317 1.00 0.00 H new ATOM 0 HA ARG A 74 0.253 -6.798 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.030 -7.995 -7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.268 -9.150 -7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.333 -9.550 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.331 -8.112 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.903 -10.547 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.692 -10.207 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.972 -7.917 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.062 -11.270 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.610 -10.996 -7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.984 -7.562 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.133 -8.891 -8.180 1.00 0.00 H new ATOM 1030 N LYS A 75 2.883 -7.723 -7.230 1.00 0.00 N ATOM 1031 CA LYS A 75 4.248 -8.195 -7.112 1.00 0.00 C ATOM 1032 C LYS A 75 5.030 -7.288 -6.173 1.00 0.00 C ATOM 1033 O LYS A 75 5.846 -7.762 -5.385 1.00 0.00 O ATOM 1034 CB LYS A 75 4.895 -8.229 -8.494 1.00 0.00 C ATOM 1035 CG LYS A 75 4.369 -9.432 -9.272 1.00 0.00 C ATOM 1036 CD LYS A 75 5.099 -10.692 -8.817 1.00 0.00 C ATOM 1037 CE LYS A 75 5.074 -11.727 -9.938 1.00 0.00 C ATOM 1038 NZ LYS A 75 5.759 -12.963 -9.531 1.00 0.00 N ATOM 0 H LYS A 75 2.639 -7.370 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 75 4.253 -9.203 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.674 -7.308 -9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.979 -8.290 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.297 -9.542 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.516 -9.280 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.129 -10.453 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.625 -11.097 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.042 -11.951 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.554 -11.317 -10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.728 -13.650 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.750 -12.750 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.285 -13.364 -8.697 1.00 0.00 H new ATOM 1052 N TYR A 76 4.779 -5.980 -6.258 1.00 0.00 N ATOM 1053 CA TYR A 76 5.462 -5.016 -5.418 1.00 0.00 C ATOM 1054 C TYR A 76 5.010 -5.178 -3.974 1.00 0.00 C ATOM 1055 O TYR A 76 5.836 -5.316 -3.074 1.00 0.00 O ATOM 1056 CB TYR A 76 5.167 -3.606 -5.921 1.00 0.00 C ATOM 1057 CG TYR A 76 5.860 -2.525 -5.127 1.00 0.00 C ATOM 1058 CD1 TYR A 76 5.308 -2.080 -3.920 1.00 0.00 C ATOM 1059 CD2 TYR A 76 7.055 -1.968 -5.597 1.00 0.00 C ATOM 1060 CE1 TYR A 76 5.951 -1.078 -3.183 1.00 0.00 C ATOM 1061 CE2 TYR A 76 7.698 -0.966 -4.860 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.146 -0.521 -3.653 1.00 0.00 C ATOM 1063 OH TYR A 76 7.772 0.455 -2.935 1.00 0.00 O ATOM 0 H TYR A 76 4.104 -5.571 -6.905 1.00 0.00 H new ATOM 0 HA TYR A 76 6.538 -5.187 -5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.471 -3.530 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.091 -3.435 -5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.386 -2.510 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.481 -2.311 -6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.525 -0.735 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.620 -0.536 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 76 8.708 0.519 -3.217 1.00 0.00 H new ATOM 1073 N ALA A 77 3.693 -5.163 -3.753 1.00 0.00 N ATOM 1074 CA ALA A 77 3.139 -5.307 -2.422 1.00 0.00 C ATOM 1075 C ALA A 77 3.733 -6.535 -1.747 1.00 0.00 C ATOM 1076 O ALA A 77 4.206 -6.455 -0.615 1.00 0.00 O ATOM 1077 CB ALA A 77 1.620 -5.422 -2.514 1.00 0.00 C ATOM 0 H ALA A 77 2.995 -5.052 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 77 3.388 -4.431 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.202 -5.530 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.215 -4.524 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.357 -6.293 -3.113 1.00 0.00 H new ATOM 1083 N SER A 78 3.709 -7.673 -2.444 1.00 0.00 N ATOM 1084 CA SER A 78 4.245 -8.908 -1.909 1.00 0.00 C ATOM 1085 C SER A 78 5.663 -8.680 -1.405 1.00 0.00 C ATOM 1086 O SER A 78 6.004 -9.089 -0.297 1.00 0.00 O ATOM 1087 CB SER A 78 4.222 -9.983 -2.992 1.00 0.00 C ATOM 1088 OG SER A 78 2.963 -9.984 -3.626 1.00 0.00 O ATOM 0 H SER A 78 3.320 -7.756 -3.383 1.00 0.00 H new ATOM 0 HA SER A 78 3.633 -9.242 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.009 -9.795 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.421 -10.961 -2.553 1.00 0.00 H new ATOM 0 HG SER A 78 2.992 -9.400 -4.412 1.00 0.00 H new ATOM 1094 N SER A 79 6.490 -8.024 -2.222 1.00 0.00 N ATOM 1095 CA SER A 79 7.864 -7.744 -1.854 1.00 0.00 C ATOM 1096 C SER A 79 7.897 -6.755 -0.697 1.00 0.00 C ATOM 1097 O SER A 79 8.834 -6.759 0.099 1.00 0.00 O ATOM 1098 CB SER A 79 8.610 -7.188 -3.063 1.00 0.00 C ATOM 1099 OG SER A 79 9.606 -8.103 -3.462 1.00 0.00 O ATOM 0 H SER A 79 6.223 -7.679 -3.144 1.00 0.00 H new ATOM 0 HA SER A 79 8.354 -8.664 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.914 -7.011 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.062 -6.228 -2.815 1.00 0.00 H new ATOM 0 HG SER A 79 10.084 -7.747 -4.240 1.00 0.00 H new ATOM 1105 N MET A 80 6.871 -5.906 -0.605 1.00 0.00 N ATOM 1106 CA MET A 80 6.792 -4.918 0.452 1.00 0.00 C ATOM 1107 C MET A 80 6.586 -5.609 1.793 1.00 0.00 C ATOM 1108 O MET A 80 7.105 -5.159 2.812 1.00 0.00 O ATOM 1109 CB MET A 80 5.646 -3.954 0.161 1.00 0.00 C ATOM 1110 CG MET A 80 6.101 -2.524 0.437 1.00 0.00 C ATOM 1111 SD MET A 80 5.810 -1.976 2.138 1.00 0.00 S ATOM 1112 CE MET A 80 4.030 -2.288 2.242 1.00 0.00 C ATOM 0 H MET A 80 6.086 -5.890 -1.256 1.00 0.00 H new ATOM 0 HA MET A 80 7.724 -4.354 0.496 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.329 -4.052 -0.877 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.784 -4.199 0.782 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.165 -2.443 0.217 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.582 -1.850 -0.245 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.669 -2.007 3.231 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.512 -1.698 1.485 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.836 -3.347 2.072 1.00 0.00 H new ATOM 1122 N LEU A 81 5.826 -6.706 1.789 1.00 0.00 N ATOM 1123 CA LEU A 81 5.555 -7.454 3.001 1.00 0.00 C ATOM 1124 C LEU A 81 6.817 -8.173 3.457 1.00 0.00 C ATOM 1125 O LEU A 81 7.282 -7.966 4.575 1.00 0.00 O ATOM 1126 CB LEU A 81 4.429 -8.450 2.743 1.00 0.00 C ATOM 1127 CG LEU A 81 3.791 -8.852 4.069 1.00 0.00 C ATOM 1128 CD1 LEU A 81 2.352 -8.345 4.116 1.00 0.00 C ATOM 1129 CD2 LEU A 81 3.799 -10.372 4.199 1.00 0.00 C ATOM 0 H LEU A 81 5.389 -7.091 0.952 1.00 0.00 H new ATOM 0 HA LEU A 81 5.244 -6.771 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.680 -8.006 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.818 -9.331 2.233 1.00 0.00 H new ATOM 0 HG LEU A 81 4.358 -8.415 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.896 -8.632 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.346 -7.259 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.785 -8.782 3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.343 -10.659 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.233 -10.810 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.826 -10.735 4.166 1.00 0.00 H new ATOM 1141 N LYS A 82 7.371 -9.020 2.586 1.00 0.00 N ATOM 1142 CA LYS A 82 8.574 -9.763 2.904 1.00 0.00 C ATOM 1143 C LYS A 82 9.613 -8.831 3.511 1.00 0.00 C ATOM 1144 O LYS A 82 10.349 -9.222 4.414 1.00 0.00 O ATOM 1145 CB LYS A 82 9.113 -10.422 1.638 1.00 0.00 C ATOM 1146 CG LYS A 82 8.685 -11.887 1.606 1.00 0.00 C ATOM 1147 CD LYS A 82 7.164 -11.975 1.691 1.00 0.00 C ATOM 1148 CE LYS A 82 6.772 -13.122 2.617 1.00 0.00 C ATOM 1149 NZ LYS A 82 6.709 -14.396 1.883 1.00 0.00 N ATOM 0 H LYS A 82 6.998 -9.203 1.654 1.00 0.00 H new ATOM 0 HA LYS A 82 8.343 -10.540 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.737 -9.903 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.200 -10.349 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.037 -12.360 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.138 -12.428 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.755 -11.036 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.742 -12.134 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.495 -13.202 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.804 -12.912 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.830 -15.186 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.786 -14.479 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.466 -14.424 1.171 1.00 0.00 H new ATOM 1163 N HIS A 83 9.672 -7.593 3.013 1.00 0.00 N ATOM 1164 CA HIS A 83 10.621 -6.617 3.509 1.00 0.00 C ATOM 1165 C HIS A 83 10.532 -6.529 5.026 1.00 0.00 C ATOM 1166 O HIS A 83 11.521 -6.229 5.692 1.00 0.00 O ATOM 1167 CB HIS A 83 10.334 -5.261 2.871 1.00 0.00 C ATOM 1168 CG HIS A 83 11.490 -4.306 2.993 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.090 -3.622 1.960 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.135 -3.963 4.151 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.078 -2.880 2.492 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.145 -3.053 3.823 1.00 0.00 N ATOM 0 H HIS A 83 9.068 -7.251 2.265 1.00 0.00 H new ATOM 0 HA HIS A 83 11.633 -6.923 3.244 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.095 -5.403 1.817 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.454 -4.822 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.905 -4.330 5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.730 -2.232 1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.801 -2.609 4.466 1.00 0.00 H new ATOM 1180 N GLY A 84 9.343 -6.792 5.573 1.00 0.00 N ATOM 1181 CA GLY A 84 9.136 -6.740 7.006 1.00 0.00 C ATOM 1182 C GLY A 84 8.301 -5.521 7.375 1.00 0.00 C ATOM 1183 O GLY A 84 8.066 -5.259 8.552 1.00 0.00 O ATOM 0 H GLY A 84 8.513 -7.043 5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.634 -7.648 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.097 -6.699 7.518 1.00 0.00 H new ATOM 1187 N PHE A 85 7.852 -4.775 6.363 1.00 0.00 N ATOM 1188 CA PHE A 85 7.048 -3.591 6.586 1.00 0.00 C ATOM 1189 C PHE A 85 5.618 -3.993 6.919 1.00 0.00 C ATOM 1190 O PHE A 85 4.752 -3.136 7.082 1.00 0.00 O ATOM 1191 CB PHE A 85 7.087 -2.709 5.342 1.00 0.00 C ATOM 1192 CG PHE A 85 8.314 -1.833 5.261 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.577 -0.902 6.273 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.188 -1.950 4.174 1.00 0.00 C ATOM 1195 CE1 PHE A 85 9.714 -0.089 6.198 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.325 -1.137 4.098 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.588 -0.207 5.111 1.00 0.00 C ATOM 0 H PHE A 85 8.037 -4.978 5.381 1.00 0.00 H new ATOM 0 HA PHE A 85 7.450 -3.027 7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.044 -3.343 4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.198 -2.078 5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.903 -0.811 7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.985 -2.668 3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.917 0.629 6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.999 -1.227 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.466 0.420 5.054 1.00 0.00 H new ATOM 1207 N LEU A 86 5.372 -5.302 7.018 1.00 0.00 N ATOM 1208 CA LEU A 86 4.051 -5.810 7.330 1.00 0.00 C ATOM 1209 C LEU A 86 4.169 -7.066 8.182 1.00 0.00 C ATOM 1210 O LEU A 86 5.016 -7.918 7.921 1.00 0.00 O ATOM 1211 CB LEU A 86 3.301 -6.104 6.035 1.00 0.00 C ATOM 1212 CG LEU A 86 2.456 -4.893 5.650 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.452 -4.737 4.132 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.027 -5.091 6.146 1.00 0.00 C ATOM 0 H LEU A 86 6.079 -6.025 6.884 1.00 0.00 H new ATOM 0 HA LEU A 86 3.494 -5.063 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.007 -6.336 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.664 -6.980 6.162 1.00 0.00 H new ATOM 0 HG LEU A 86 2.877 -3.997 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.848 -3.872 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.473 -4.594 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.032 -5.633 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.423 -4.226 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.605 -5.987 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.030 -5.201 7.230 1.00 0.00 H new ATOM 1226 N ARG A 87 3.316 -7.179 9.202 1.00 0.00 N ATOM 1227 CA ARG A 87 3.329 -8.328 10.086 1.00 0.00 C ATOM 1228 C ARG A 87 1.926 -8.908 10.198 1.00 0.00 C ATOM 1229 O ARG A 87 0.949 -8.165 10.270 1.00 0.00 O ATOM 1230 CB ARG A 87 3.851 -7.907 11.457 1.00 0.00 C ATOM 1231 CG ARG A 87 5.275 -8.423 11.639 1.00 0.00 C ATOM 1232 CD ARG A 87 6.248 -7.247 11.627 1.00 0.00 C ATOM 1233 NE ARG A 87 7.626 -7.707 11.459 1.00 0.00 N ATOM 1234 CZ ARG A 87 8.629 -6.886 11.120 1.00 0.00 C ATOM 1235 NH1 ARG A 87 8.390 -5.582 10.921 1.00 0.00 N ATOM 1236 NH2 ARG A 87 9.872 -7.368 10.980 1.00 0.00 N ATOM 0 H ARG A 87 2.608 -6.481 9.430 1.00 0.00 H new ATOM 0 HA ARG A 87 3.987 -9.097 9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.832 -6.821 11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.206 -8.304 12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.358 -8.968 12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.524 -9.123 10.842 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.988 -6.564 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.159 -6.687 12.558 1.00 0.00 H new ATOM 0 HE ARG A 87 7.832 -8.695 11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.444 -5.215 11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.154 -4.957 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.054 -8.360 11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.635 -6.743 10.722 1.00 0.00 H new ATOM 1250 N HIS A 88 1.827 -10.239 10.213 1.00 0.00 N ATOM 1251 CA HIS A 88 0.544 -10.906 10.315 1.00 0.00 C ATOM 1252 C HIS A 88 0.433 -11.617 11.656 1.00 0.00 C ATOM 1253 O HIS A 88 0.308 -10.972 12.695 1.00 0.00 O ATOM 1254 CB HIS A 88 0.395 -11.897 9.164 1.00 0.00 C ATOM 1255 CG HIS A 88 -0.868 -12.709 9.257 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -0.980 -14.062 9.033 1.00 0.00 N ATOM 1257 CD2 HIS A 88 -2.110 -12.235 9.581 1.00 0.00 C ATOM 1258 CE1 HIS A 88 -2.271 -14.392 9.219 1.00 0.00 C ATOM 1259 NE2 HIS A 88 -2.999 -13.314 9.555 1.00 0.00 N ATOM 0 H HIS A 88 2.626 -10.870 10.155 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.257 -10.170 10.252 1.00 0.00 H new ATOM 0 HB2 HIS A 88 0.404 -11.354 8.219 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.254 -12.568 9.154 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -0.225 -14.697 8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.359 -11.211 9.815 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.669 -15.390 9.112 1.00 0.00 H new ATOM 1267 N THR A 89 0.478 -12.951 11.632 1.00 0.00 N ATOM 1268 CA THR A 89 0.383 -13.738 12.845 1.00 0.00 C ATOM 1269 C THR A 89 1.413 -14.857 12.820 1.00 0.00 C ATOM 1270 O THR A 89 1.912 -15.270 13.865 1.00 0.00 O ATOM 1271 CB THR A 89 -1.028 -14.305 12.973 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.264 -15.220 11.927 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.043 -13.168 12.892 1.00 0.00 C ATOM 0 H THR A 89 0.580 -13.502 10.780 1.00 0.00 H new ATOM 0 HA THR A 89 0.587 -13.105 13.709 1.00 0.00 H new ATOM 0 HB THR A 89 -1.129 -14.815 13.931 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.170 -15.585 12.010 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.051 -13.573 12.983 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.862 -12.460 13.701 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.942 -12.658 11.934 1.00 0.00 H new ATOM 1281 N VAL A 90 1.732 -15.349 11.620 1.00 0.00 N ATOM 1282 CA VAL A 90 2.699 -16.416 11.463 1.00 0.00 C ATOM 1283 C VAL A 90 4.037 -15.989 12.051 1.00 0.00 C ATOM 1284 O VAL A 90 4.162 -14.884 12.575 1.00 0.00 O ATOM 1285 CB VAL A 90 2.843 -16.757 9.983 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.464 -16.781 9.329 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.711 -15.703 9.300 1.00 0.00 C ATOM 0 H VAL A 90 1.327 -15.017 10.744 1.00 0.00 H new ATOM 0 HA VAL A 90 2.357 -17.304 11.995 1.00 0.00 H new ATOM 0 HB VAL A 90 3.311 -17.736 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.567 -17.025 8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.843 -17.533 9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.995 -15.802 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.814 -15.946 8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.243 -14.724 9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.696 -15.685 9.766 1.00 0.00 H new ATOM 1297 N ASN A 91 5.038 -16.868 11.963 1.00 0.00 N ATOM 1298 CA ASN A 91 6.357 -16.576 12.485 1.00 0.00 C ATOM 1299 C ASN A 91 6.997 -15.454 11.680 1.00 0.00 C ATOM 1300 O ASN A 91 7.213 -14.360 12.198 1.00 0.00 O ATOM 1301 CB ASN A 91 7.215 -17.837 12.430 1.00 0.00 C ATOM 1302 CG ASN A 91 8.513 -17.645 13.202 1.00 0.00 C ATOM 1303 OD1 ASN A 91 8.492 -17.443 14.414 1.00 0.00 O ATOM 1304 ND2 ASN A 91 9.644 -17.712 12.497 1.00 0.00 N ATOM 0 H ASN A 91 4.950 -17.788 11.532 1.00 0.00 H new ATOM 0 HA ASN A 91 6.276 -16.250 13.522 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.660 -18.678 12.847 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.438 -18.085 11.392 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.543 -17.593 12.963 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.609 -17.882 11.492 1.00 0.00 H new ATOM 1311 N LYS A 92 7.300 -15.727 10.409 1.00 0.00 N ATOM 1312 CA LYS A 92 7.912 -14.740 9.541 1.00 0.00 C ATOM 1313 C LYS A 92 6.868 -13.730 9.088 1.00 0.00 C ATOM 1314 O LYS A 92 6.806 -12.620 9.613 1.00 0.00 O ATOM 1315 CB LYS A 92 8.542 -15.441 8.341 1.00 0.00 C ATOM 1316 CG LYS A 92 9.866 -14.766 7.996 1.00 0.00 C ATOM 1317 CD LYS A 92 10.888 -15.824 7.589 1.00 0.00 C ATOM 1318 CE LYS A 92 10.469 -16.452 6.263 1.00 0.00 C ATOM 1319 NZ LYS A 92 10.949 -15.651 5.126 1.00 0.00 N ATOM 0 H LYS A 92 7.128 -16.629 9.964 1.00 0.00 H new ATOM 0 HA LYS A 92 8.691 -14.206 10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.707 -16.495 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.867 -15.400 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.722 -14.053 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.233 -14.202 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.876 -15.373 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.960 -16.591 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.868 -17.464 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.383 -16.534 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.651 -16.099 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.548 -14.693 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.987 -15.594 5.155 1.00 0.00 H new ATOM 1333 N ILE A 93 6.046 -14.118 8.110 1.00 0.00 N ATOM 1334 CA ILE A 93 5.008 -13.249 7.591 1.00 0.00 C ATOM 1335 C ILE A 93 4.231 -13.970 6.500 1.00 0.00 C ATOM 1336 O ILE A 93 3.007 -14.066 6.567 1.00 0.00 O ATOM 1337 CB ILE A 93 5.640 -11.969 7.051 1.00 0.00 C ATOM 1338 CG1 ILE A 93 4.811 -10.766 7.491 1.00 0.00 C ATOM 1339 CG2 ILE A 93 5.683 -12.028 5.527 1.00 0.00 C ATOM 1340 CD1 ILE A 93 3.331 -11.135 7.475 1.00 0.00 C ATOM 0 H ILE A 93 6.087 -15.035 7.665 1.00 0.00 H new ATOM 0 HA ILE A 93 4.314 -12.986 8.390 1.00 0.00 H new ATOM 0 HB ILE A 93 6.654 -11.872 7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.108 -10.453 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.994 -9.922 6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.134 -11.114 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.276 -12.887 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.669 -12.125 5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.738 -10.276 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.040 -11.427 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.156 -11.966 8.158 1.00 0.00 H new ATOM 1352 N THR A 94 4.943 -14.479 5.492 1.00 0.00 N ATOM 1353 CA THR A 94 4.314 -15.188 4.397 1.00 0.00 C ATOM 1354 C THR A 94 3.178 -14.353 3.823 1.00 0.00 C ATOM 1355 O THR A 94 2.088 -14.311 4.388 1.00 0.00 O ATOM 1356 CB THR A 94 3.796 -16.535 4.894 1.00 0.00 C ATOM 1357 OG1 THR A 94 2.546 -16.355 5.521 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.787 -17.123 5.894 1.00 0.00 C ATOM 0 H THR A 94 5.958 -14.408 5.420 1.00 0.00 H new ATOM 0 HA THR A 94 5.044 -15.362 3.607 1.00 0.00 H new ATOM 0 HB THR A 94 3.684 -17.216 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.363 -15.397 5.617 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.418 -18.085 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.754 -17.262 5.410 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.899 -16.443 6.738 1.00 0.00 H new ATOM 1366 N PHE A 95 3.436 -13.687 2.695 1.00 0.00 N ATOM 1367 CA PHE A 95 2.436 -12.859 2.052 1.00 0.00 C ATOM 1368 C PHE A 95 1.327 -13.734 1.485 1.00 0.00 C ATOM 1369 O PHE A 95 1.464 -14.954 1.428 1.00 0.00 O ATOM 1370 CB PHE A 95 3.093 -12.034 0.949 1.00 0.00 C ATOM 1371 CG PHE A 95 2.215 -10.924 0.422 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.234 -9.666 1.034 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.384 -11.154 -0.682 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.421 -8.636 0.544 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.572 -10.124 -1.172 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.590 -8.866 -0.559 1.00 0.00 C ATOM 0 H PHE A 95 4.335 -13.711 2.213 1.00 0.00 H new ATOM 0 HA PHE A 95 1.996 -12.180 2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.019 -11.604 1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.364 -12.694 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.876 -9.489 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.370 -12.125 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.435 -7.665 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.069 -10.300 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.037 -8.072 -0.937 1.00 0.00 H new ATOM 1386 N SER A 96 0.226 -13.107 1.064 1.00 0.00 N ATOM 1387 CA SER A 96 -0.897 -13.831 0.504 1.00 0.00 C ATOM 1388 C SER A 96 -1.900 -12.851 -0.088 1.00 0.00 C ATOM 1389 O SER A 96 -2.345 -13.022 -1.221 1.00 0.00 O ATOM 1390 CB SER A 96 -1.548 -14.680 1.592 1.00 0.00 C ATOM 1391 OG SER A 96 -1.319 -16.045 1.323 1.00 0.00 O ATOM 0 H SER A 96 0.097 -12.096 1.104 1.00 0.00 H new ATOM 0 HA SER A 96 -0.549 -14.489 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.139 -14.417 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.619 -14.481 1.632 1.00 0.00 H new ATOM 0 HG SER A 96 -0.355 -16.211 1.270 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.255 -11.819 0.681 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.200 -10.819 0.227 1.00 0.00 C ATOM 1399 C GLU A 97 -4.621 -11.266 0.541 1.00 0.00 C ATOM 1400 O GLU A 97 -5.578 -10.748 -0.030 1.00 0.00 O ATOM 1401 CB GLU A 97 -3.022 -10.597 -1.272 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.363 -9.150 -1.616 1.00 0.00 C ATOM 1403 CD GLU A 97 -4.447 -9.086 -2.683 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.086 -8.791 -3.842 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -5.617 -9.335 -2.319 1.00 0.00 O ATOM 0 H GLU A 97 -1.896 -11.662 1.623 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.015 -9.879 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.996 -10.819 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.666 -11.276 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.698 -8.628 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.469 -8.636 -1.969 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.756 -12.231 1.453 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.056 -12.742 1.838 1.00 0.00 C ATOM 1415 C GLN A 98 -6.297 -12.482 3.318 1.00 0.00 C ATOM 1416 O GLN A 98 -7.222 -11.760 3.681 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.124 -14.236 1.533 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.389 -14.536 0.734 1.00 0.00 C ATOM 1419 CD GLN A 98 -8.273 -15.532 1.472 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -7.813 -16.602 1.863 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -9.546 -15.176 1.660 1.00 0.00 N ATOM 0 H GLN A 98 -3.972 -12.670 1.936 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.834 -12.232 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.243 -14.543 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.123 -14.808 2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.941 -13.613 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.120 -14.936 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.880 -14.276 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.185 -15.804 2.148 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.459 -13.075 4.172 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.578 -12.907 5.607 1.00 0.00 C ATOM 1432 C CYS A 99 -5.122 -11.509 5.996 1.00 0.00 C ATOM 1433 O CYS A 99 -3.927 -11.262 6.140 1.00 0.00 O ATOM 1434 CB CYS A 99 -4.739 -13.968 6.314 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.261 -14.064 8.044 1.00 0.00 S ATOM 0 H CYS A 99 -4.689 -13.678 3.884 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.618 -13.028 5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.865 -14.935 5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.680 -13.715 6.252 1.00 0.00 H new ATOM 0 HG CYS A 99 -4.304 -13.631 8.811 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.077 -10.592 6.168 1.00 0.00 N ATOM 1442 CA TYR A 100 -5.766 -9.226 6.537 1.00 0.00 C ATOM 1443 C TYR A 100 -4.562 -9.204 7.469 1.00 0.00 C ATOM 1444 O TYR A 100 -4.491 -9.988 8.413 1.00 0.00 O ATOM 1445 CB TYR A 100 -6.981 -8.593 7.209 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.862 -7.820 6.257 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -7.582 -6.477 5.977 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -8.959 -8.446 5.654 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -8.398 -5.761 5.094 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -9.776 -7.730 4.771 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.495 -6.387 4.491 1.00 0.00 C ATOM 1452 OH TYR A 100 -10.291 -5.689 3.630 1.00 0.00 O ATOM 0 H TYR A 100 -7.073 -10.781 6.055 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.520 -8.651 5.644 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.572 -9.376 7.684 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.641 -7.925 8.001 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -6.736 -5.994 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.175 -9.482 5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.181 -4.725 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.623 -8.213 4.306 1.00 0.00 H new ATOM 0 HH TYR A 100 -11.006 -6.272 3.300 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.614 -8.303 7.202 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.420 -8.188 8.015 1.00 0.00 C ATOM 1464 C TYR A 101 -2.337 -6.791 8.614 1.00 0.00 C ATOM 1465 O TYR A 101 -3.267 -5.998 8.478 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.192 -8.484 7.159 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.073 -9.935 6.758 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -1.837 -10.907 7.413 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.198 -10.307 5.730 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.725 -12.253 7.041 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.087 -11.652 5.358 1.00 0.00 C ATOM 1472 CZ TYR A 101 -0.851 -12.625 6.014 1.00 0.00 C ATOM 1473 OH TYR A 101 -0.742 -13.935 5.651 1.00 0.00 O ATOM 0 H TYR A 101 -3.658 -7.644 6.425 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.460 -8.910 8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.229 -7.869 6.260 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.297 -8.193 7.709 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.513 -10.620 8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.391 -9.556 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.314 -13.004 7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.588 -11.939 4.565 1.00 0.00 H new ATOM 0 HH TYR A 101 0.129 -14.086 5.229 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.218 -6.490 9.277 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.019 -5.193 9.892 1.00 0.00 C ATOM 1485 C VAL A 102 0.452 -4.809 9.818 1.00 0.00 C ATOM 1486 O VAL A 102 1.321 -5.604 10.168 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.494 -5.240 11.342 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.327 -4.916 12.270 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.605 -4.214 11.545 1.00 0.00 C ATOM 0 H VAL A 102 -0.438 -7.136 9.397 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.598 -4.440 9.359 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.873 -6.237 11.569 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.666 -4.949 13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.468 -5.648 12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.052 -3.919 12.044 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.945 -4.246 12.580 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.226 -3.217 11.319 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.439 -4.444 10.882 1.00 0.00 H new ATOM 1499 N PHE A 103 0.730 -3.586 9.361 1.00 0.00 N ATOM 1500 CA PHE A 103 2.092 -3.106 9.245 1.00 0.00 C ATOM 1501 C PHE A 103 2.909 -3.578 10.440 1.00 0.00 C ATOM 1502 O PHE A 103 2.350 -3.962 11.464 1.00 0.00 O ATOM 1503 CB PHE A 103 2.088 -1.582 9.160 1.00 0.00 C ATOM 1504 CG PHE A 103 1.397 -0.915 10.325 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.950 -0.999 11.609 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.204 -0.211 10.122 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.311 -0.379 12.689 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.435 0.410 11.202 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.118 0.325 12.485 1.00 0.00 C ATOM 0 H PHE A 103 0.021 -2.914 9.066 1.00 0.00 H new ATOM 0 HA PHE A 103 2.547 -3.506 8.339 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.117 -1.226 9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.597 -1.279 8.235 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.870 -1.542 11.766 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.223 -0.147 9.132 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.738 -0.444 13.679 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.354 0.954 11.045 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.376 0.803 13.318 1.00 0.00 H new ATOM 1519 N GLY A 104 4.237 -3.548 10.307 1.00 0.00 N ATOM 1520 CA GLY A 104 5.118 -3.972 11.377 1.00 0.00 C ATOM 1521 C GLY A 104 6.160 -2.899 11.660 1.00 0.00 C ATOM 1522 O GLY A 104 6.157 -1.846 11.027 1.00 0.00 O ATOM 0 H GLY A 104 4.718 -3.233 9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.537 -4.171 12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.611 -4.904 11.103 1.00 0.00 H new ATOM 1526 N ASP A 105 7.052 -3.169 12.615 1.00 0.00 N ATOM 1527 CA ASP A 105 8.092 -2.227 12.978 1.00 0.00 C ATOM 1528 C ASP A 105 8.941 -2.804 14.102 1.00 0.00 C ATOM 1529 O ASP A 105 8.606 -2.654 15.274 1.00 0.00 O ATOM 1530 CB ASP A 105 7.456 -0.907 13.404 1.00 0.00 C ATOM 1531 CG ASP A 105 7.727 0.184 12.377 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.905 0.307 11.978 1.00 0.00 O ATOM 1533 OD2 ASP A 105 6.751 0.874 12.011 1.00 0.00 O ATOM 0 H ASP A 105 7.068 -4.038 13.148 1.00 0.00 H new ATOM 0 HA ASP A 105 8.738 -2.043 12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.381 -1.039 13.525 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.851 -0.605 14.374 1.00 0.00 H new TER 1539 ASP A 105