USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.757 USER MOD Single : A 24 MET CE :methyl -121:sc= -0.0092 (180deg=-1.95) USER MOD Single : A 29 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.3!) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.922 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 170:sc= -1.15 USER MOD Single : A 42 HIS : no HE2:sc= 0.561 K(o=0.56,f=-2.1!) USER MOD Single : A 45 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.5!) USER MOD Single : A 48 TYR OH : rot 106:sc= 1.27 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= 0.0214 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 170:sc= -0.118 USER MOD Single : A 66 GLN : amide:sc= -1.81 X(o=-1.8,f=-1.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -154:sc= -0.286 (180deg=-0.343) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.451 F(o=-1.2,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -11.156 12.532 -6.056 1.00 0.00 N ATOM 2 CA ALA A 8 -10.753 12.592 -4.657 1.00 0.00 C ATOM 3 C ALA A 8 -9.800 11.453 -4.310 1.00 0.00 C ATOM 4 O ALA A 8 -10.157 10.279 -4.415 1.00 0.00 O ATOM 5 CB ALA A 8 -11.977 12.550 -3.753 1.00 0.00 C ATOM 0 HA ALA A 8 -10.227 13.533 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.661 12.596 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.622 13.400 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.525 11.624 -3.926 1.00 0.00 H new ATOM 11 N ASP A 9 -8.588 11.806 -3.897 1.00 0.00 N ATOM 12 CA ASP A 9 -7.584 10.813 -3.535 1.00 0.00 C ATOM 13 C ASP A 9 -7.488 10.663 -2.020 1.00 0.00 C ATOM 14 O ASP A 9 -6.824 11.454 -1.349 1.00 0.00 O ATOM 15 CB ASP A 9 -6.220 11.202 -4.112 1.00 0.00 C ATOM 16 CG ASP A 9 -5.582 10.074 -4.901 1.00 0.00 C ATOM 17 OD1 ASP A 9 -6.021 8.916 -4.743 1.00 0.00 O ATOM 18 OD2 ASP A 9 -4.642 10.351 -5.677 1.00 0.00 O ATOM 0 H ASP A 9 -8.277 12.773 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.887 9.855 -3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.337 12.072 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.555 11.495 -3.299 1.00 0.00 H new ATOM 23 N ARG A 10 -8.154 9.644 -1.487 1.00 0.00 N ATOM 24 CA ARG A 10 -8.144 9.389 -0.051 1.00 0.00 C ATOM 25 C ARG A 10 -7.582 8.005 0.254 1.00 0.00 C ATOM 26 O ARG A 10 -7.564 7.126 -0.608 1.00 0.00 O ATOM 27 CB ARG A 10 -9.559 9.511 0.519 1.00 0.00 C ATOM 28 CG ARG A 10 -10.310 10.736 0.024 1.00 0.00 C ATOM 29 CD ARG A 10 -11.268 10.385 -1.103 1.00 0.00 C ATOM 30 NE ARG A 10 -12.518 11.136 -1.016 1.00 0.00 N ATOM 31 CZ ARG A 10 -13.640 10.782 -1.637 1.00 0.00 C ATOM 32 NH1 ARG A 10 -13.675 9.689 -2.390 1.00 0.00 N ATOM 33 NH2 ARG A 10 -14.733 11.521 -1.505 1.00 0.00 N ATOM 0 H ARG A 10 -8.708 8.981 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.502 10.134 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.126 8.617 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.502 9.545 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.865 11.182 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.598 11.485 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.790 10.588 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.485 9.317 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.531 11.981 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.838 9.115 -2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.539 9.423 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.714 12.361 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.593 11.249 -1.981 1.00 0.00 H new ATOM 47 N LYS A 11 -7.129 7.819 1.488 1.00 0.00 N ATOM 48 CA LYS A 11 -6.571 6.543 1.918 1.00 0.00 C ATOM 49 C LYS A 11 -6.985 6.241 3.352 1.00 0.00 C ATOM 50 O LYS A 11 -6.847 7.084 4.233 1.00 0.00 O ATOM 51 CB LYS A 11 -5.044 6.563 1.807 1.00 0.00 C ATOM 52 CG LYS A 11 -4.396 7.738 2.521 1.00 0.00 C ATOM 53 CD LYS A 11 -2.927 7.474 2.814 1.00 0.00 C ATOM 54 CE LYS A 11 -2.021 8.298 1.913 1.00 0.00 C ATOM 55 NZ LYS A 11 -0.588 8.164 2.295 1.00 0.00 N ATOM 0 H LYS A 11 -7.137 8.539 2.211 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.960 5.760 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.646 5.635 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.765 6.590 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.490 8.634 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.924 7.934 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.715 7.709 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.712 6.414 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.152 7.981 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.314 9.347 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.003 8.741 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.458 8.490 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.301 7.167 2.221 1.00 0.00 H new ATOM 69 N LEU A 12 -7.493 5.036 3.579 1.00 0.00 N ATOM 70 CA LEU A 12 -7.938 4.622 4.909 1.00 0.00 C ATOM 71 C LEU A 12 -6.793 4.009 5.689 1.00 0.00 C ATOM 72 O LEU A 12 -5.814 3.526 5.120 1.00 0.00 O ATOM 73 CB LEU A 12 -9.070 3.608 4.785 1.00 0.00 C ATOM 74 CG LEU A 12 -8.613 2.287 4.206 1.00 0.00 C ATOM 75 CD1 LEU A 12 -8.910 1.141 5.163 1.00 0.00 C ATOM 76 CD2 LEU A 12 -9.243 2.037 2.842 1.00 0.00 C ATOM 0 H LEU A 12 -7.608 4.324 2.858 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.294 5.503 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.507 3.437 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.856 4.023 4.155 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.533 2.339 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.572 0.203 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.388 1.309 6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.983 1.089 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.896 1.081 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.328 2.017 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.956 2.835 2.157 1.00 0.00 H new ATOM 88 N CYS A 13 -6.931 4.047 6.996 1.00 0.00 N ATOM 89 CA CYS A 13 -5.913 3.509 7.890 1.00 0.00 C ATOM 90 C CYS A 13 -6.522 3.004 9.193 1.00 0.00 C ATOM 91 O CYS A 13 -7.729 3.106 9.412 1.00 0.00 O ATOM 92 CB CYS A 13 -4.862 4.575 8.196 1.00 0.00 C ATOM 93 SG CYS A 13 -3.530 4.688 6.958 1.00 0.00 S ATOM 0 H CYS A 13 -7.741 4.446 7.471 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.443 2.666 7.384 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.355 5.544 8.272 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.420 4.365 9.170 1.00 0.00 H new ATOM 98 N ALA A 14 -5.667 2.467 10.057 1.00 0.00 N ATOM 99 CA ALA A 14 -6.098 1.953 11.350 1.00 0.00 C ATOM 100 C ALA A 14 -6.564 3.086 12.257 1.00 0.00 C ATOM 101 O ALA A 14 -5.816 3.551 13.117 1.00 0.00 O ATOM 102 CB ALA A 14 -4.969 1.178 12.010 1.00 0.00 C ATOM 0 H ALA A 14 -4.666 2.377 9.883 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.940 1.280 11.187 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.304 0.799 12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.680 0.342 11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.112 1.836 12.156 1.00 0.00 H new ATOM 108 N ASP A 15 -7.800 3.527 12.059 1.00 0.00 N ATOM 109 CA ASP A 15 -8.360 4.609 12.861 1.00 0.00 C ATOM 110 C ASP A 15 -7.567 5.896 12.658 1.00 0.00 C ATOM 111 O ASP A 15 -6.643 5.945 11.845 1.00 0.00 O ATOM 112 CB ASP A 15 -8.367 4.225 14.342 1.00 0.00 C ATOM 113 CG ASP A 15 -9.651 3.532 14.753 1.00 0.00 C ATOM 114 OD1 ASP A 15 -10.738 4.087 14.482 1.00 0.00 O ATOM 115 OD2 ASP A 15 -9.572 2.436 15.346 1.00 0.00 O ATOM 0 H ASP A 15 -8.433 3.154 11.352 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.386 4.779 12.536 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.521 3.569 14.549 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.231 5.121 14.948 1.00 0.00 H new ATOM 120 N GLN A 16 -7.932 6.937 13.399 1.00 0.00 N ATOM 121 CA GLN A 16 -7.252 8.224 13.298 1.00 0.00 C ATOM 122 C GLN A 16 -5.831 8.132 13.846 1.00 0.00 C ATOM 123 O GLN A 16 -5.528 8.673 14.910 1.00 0.00 O ATOM 124 CB GLN A 16 -8.037 9.298 14.052 1.00 0.00 C ATOM 125 CG GLN A 16 -9.257 9.804 13.299 1.00 0.00 C ATOM 126 CD GLN A 16 -9.036 11.172 12.680 1.00 0.00 C ATOM 127 OE1 GLN A 16 -8.271 11.318 11.727 1.00 0.00 O ATOM 128 NE2 GLN A 16 -9.707 12.181 13.223 1.00 0.00 N ATOM 0 H GLN A 16 -8.695 6.915 14.076 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.197 8.498 12.245 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.356 8.895 15.013 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.376 10.139 14.262 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.516 9.092 12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.106 9.851 13.981 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.331 12.013 14.012 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.599 13.124 12.851 1.00 0.00 H new ATOM 137 N GLU A 17 -4.962 7.443 13.112 1.00 0.00 N ATOM 138 CA GLU A 17 -3.575 7.281 13.524 1.00 0.00 C ATOM 139 C GLU A 17 -2.739 6.667 12.405 1.00 0.00 C ATOM 140 O GLU A 17 -1.701 7.208 12.024 1.00 0.00 O ATOM 141 CB GLU A 17 -3.493 6.407 14.776 1.00 0.00 C ATOM 142 CG GLU A 17 -2.196 6.572 15.552 1.00 0.00 C ATOM 143 CD GLU A 17 -2.393 6.449 17.050 1.00 0.00 C ATOM 144 OE1 GLU A 17 -3.120 5.529 17.479 1.00 0.00 O ATOM 145 OE2 GLU A 17 -1.819 7.272 17.794 1.00 0.00 O ATOM 0 H GLU A 17 -5.196 6.989 12.229 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.173 8.269 13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.331 6.646 15.431 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.603 5.362 14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.480 5.820 15.220 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.763 7.546 15.325 1.00 0.00 H new ATOM 152 N CYS A 18 -3.197 5.532 11.885 1.00 0.00 N ATOM 153 CA CYS A 18 -2.489 4.842 10.813 1.00 0.00 C ATOM 154 C CYS A 18 -1.094 4.425 11.267 1.00 0.00 C ATOM 155 O CYS A 18 -0.127 4.522 10.509 1.00 0.00 O ATOM 156 CB CYS A 18 -2.390 5.736 9.575 1.00 0.00 C ATOM 157 SG CYS A 18 -1.841 4.863 8.071 1.00 0.00 S ATOM 0 H CYS A 18 -4.055 5.071 12.189 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.054 3.946 10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.364 6.186 9.386 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.697 6.551 9.783 1.00 0.00 H new ATOM 162 N SER A 19 -0.996 3.959 12.507 1.00 0.00 N ATOM 163 CA SER A 19 0.280 3.527 13.063 1.00 0.00 C ATOM 164 C SER A 19 0.428 2.012 12.972 1.00 0.00 C ATOM 165 O SER A 19 1.483 1.503 12.594 1.00 0.00 O ATOM 166 CB SER A 19 0.404 3.977 14.520 1.00 0.00 C ATOM 167 OG SER A 19 0.923 5.294 14.605 1.00 0.00 O ATOM 0 H SER A 19 -1.786 3.871 13.146 1.00 0.00 H new ATOM 0 HA SER A 19 1.077 3.987 12.479 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.573 3.936 15.001 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.055 3.291 15.062 1.00 0.00 H new ATOM 0 HG SER A 19 0.991 5.559 15.546 1.00 0.00 H new ATOM 173 N HIS A 20 -0.636 1.297 13.322 1.00 0.00 N ATOM 174 CA HIS A 20 -0.625 -0.161 13.278 1.00 0.00 C ATOM 175 C HIS A 20 -0.869 -0.665 11.856 1.00 0.00 C ATOM 176 O HIS A 20 -1.745 -0.158 11.154 1.00 0.00 O ATOM 177 CB HIS A 20 -1.689 -0.727 14.224 1.00 0.00 C ATOM 178 CG HIS A 20 -1.136 -1.198 15.533 1.00 0.00 C ATOM 179 ND1 HIS A 20 -0.318 -0.423 16.329 1.00 0.00 N ATOM 180 CD2 HIS A 20 -1.289 -2.375 16.186 1.00 0.00 C ATOM 181 CE1 HIS A 20 0.009 -1.103 17.414 1.00 0.00 C ATOM 182 NE2 HIS A 20 -0.568 -2.289 17.352 1.00 0.00 N ATOM 0 H HIS A 20 -1.516 1.703 13.639 1.00 0.00 H new ATOM 0 HA HIS A 20 0.358 -0.504 13.601 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.441 0.039 14.411 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.195 -1.558 13.733 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.869 -3.222 15.852 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.641 -0.749 18.215 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.491 -3.023 18.056 1.00 0.00 H new ATOM 191 N PRO A 21 -0.098 -1.672 11.408 1.00 0.00 N ATOM 192 CA PRO A 21 -0.244 -2.235 10.062 1.00 0.00 C ATOM 193 C PRO A 21 -1.675 -2.670 9.769 1.00 0.00 C ATOM 194 O PRO A 21 -2.540 -2.625 10.644 1.00 0.00 O ATOM 195 CB PRO A 21 0.691 -3.448 10.075 1.00 0.00 C ATOM 196 CG PRO A 21 1.696 -3.143 11.130 1.00 0.00 C ATOM 197 CD PRO A 21 0.972 -2.340 12.174 1.00 0.00 C ATOM 0 HA PRO A 21 -0.003 -1.505 9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.146 -4.365 10.301 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.167 -3.591 9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.104 -4.059 11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.535 -2.582 10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.566 -2.976 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.632 -1.619 12.656 1.00 0.00 H new ATOM 205 N ILE A 22 -1.920 -3.090 8.532 1.00 0.00 N ATOM 206 CA ILE A 22 -3.247 -3.533 8.122 1.00 0.00 C ATOM 207 C ILE A 22 -3.358 -5.050 8.179 1.00 0.00 C ATOM 208 O ILE A 22 -4.330 -5.601 8.695 1.00 0.00 O ATOM 209 CB ILE A 22 -3.585 -3.048 6.686 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.019 -2.521 6.630 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.383 -4.157 5.648 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.230 -1.250 7.424 1.00 0.00 C ATOM 0 H ILE A 22 -1.216 -3.133 7.795 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.961 -3.095 8.820 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.897 -2.240 6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.290 -2.339 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.694 -3.290 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.630 -3.777 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.343 -4.484 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.032 -5.000 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.270 -0.936 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.992 -1.432 8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.580 -0.466 7.035 1.00 0.00 H new ATOM 224 N SER A 23 -2.363 -5.714 7.613 1.00 0.00 N ATOM 225 CA SER A 23 -2.344 -7.163 7.558 1.00 0.00 C ATOM 226 C SER A 23 -1.078 -7.649 6.874 1.00 0.00 C ATOM 227 O SER A 23 -0.149 -6.880 6.631 1.00 0.00 O ATOM 228 CB SER A 23 -3.574 -7.669 6.798 1.00 0.00 C ATOM 229 OG SER A 23 -3.582 -7.192 5.463 1.00 0.00 O ATOM 0 H SER A 23 -1.553 -5.267 7.183 1.00 0.00 H new ATOM 0 HA SER A 23 -2.364 -7.554 8.575 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.582 -8.759 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.480 -7.344 7.309 1.00 0.00 H new ATOM 0 HG SER A 23 -4.376 -7.531 4.999 1.00 0.00 H new ATOM 235 N MET A 24 -1.059 -8.931 6.568 1.00 0.00 N ATOM 236 CA MET A 24 0.086 -9.546 5.903 1.00 0.00 C ATOM 237 C MET A 24 -0.346 -10.246 4.620 1.00 0.00 C ATOM 238 O MET A 24 -1.352 -10.956 4.599 1.00 0.00 O ATOM 239 CB MET A 24 0.770 -10.544 6.837 1.00 0.00 C ATOM 240 CG MET A 24 2.280 -10.589 6.675 1.00 0.00 C ATOM 241 SD MET A 24 3.042 -11.908 7.641 1.00 0.00 S ATOM 242 CE MET A 24 2.776 -13.314 6.563 1.00 0.00 C ATOM 0 H MET A 24 -1.825 -9.575 6.768 1.00 0.00 H new ATOM 0 HA MET A 24 0.794 -8.758 5.647 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.531 -10.287 7.869 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.363 -11.539 6.654 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.525 -10.727 5.622 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.703 -9.631 6.978 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.193 -14.070 7.089 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.235 -12.993 5.673 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.738 -13.735 6.271 1.00 0.00 H new ATOM 252 N ALA A 25 0.417 -10.044 3.551 1.00 0.00 N ATOM 253 CA ALA A 25 0.103 -10.661 2.269 1.00 0.00 C ATOM 254 C ALA A 25 1.360 -11.060 1.512 1.00 0.00 C ATOM 255 O ALA A 25 2.332 -10.307 1.453 1.00 0.00 O ATOM 256 CB ALA A 25 -0.754 -9.729 1.426 1.00 0.00 C ATOM 0 H ALA A 25 1.254 -9.460 3.547 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.460 -11.572 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.979 -10.205 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.684 -9.514 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.214 -8.799 1.249 1.00 0.00 H new ATOM 262 N VAL A 26 1.329 -12.256 0.935 1.00 0.00 N ATOM 263 CA VAL A 26 2.460 -12.773 0.179 1.00 0.00 C ATOM 264 C VAL A 26 2.256 -12.589 -1.320 1.00 0.00 C ATOM 265 O VAL A 26 1.128 -12.574 -1.807 1.00 0.00 O ATOM 266 CB VAL A 26 2.690 -14.267 0.473 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.976 -14.752 -0.179 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.715 -14.518 1.972 1.00 0.00 C ATOM 0 H VAL A 26 0.529 -12.887 0.978 1.00 0.00 H new ATOM 0 HA VAL A 26 3.336 -12.205 0.493 1.00 0.00 H new ATOM 0 HB VAL A 26 1.861 -14.832 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.119 -15.810 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.912 -14.611 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.819 -14.183 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.879 -15.579 2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.521 -13.941 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.763 -14.215 2.408 1.00 0.00 H new ATOM 278 N ALA A 27 3.358 -12.451 -2.044 1.00 0.00 N ATOM 279 CA ALA A 27 3.311 -12.267 -3.488 1.00 0.00 C ATOM 280 C ALA A 27 2.740 -13.497 -4.182 1.00 0.00 C ATOM 281 O ALA A 27 3.208 -14.616 -3.972 1.00 0.00 O ATOM 282 CB ALA A 27 4.700 -11.959 -4.021 1.00 0.00 C ATOM 0 H ALA A 27 4.300 -12.463 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 27 2.653 -11.425 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.653 -11.823 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.074 -11.047 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.371 -12.786 -3.788 1.00 0.00 H new ATOM 288 N LEU A 28 1.729 -13.281 -5.015 1.00 0.00 N ATOM 289 CA LEU A 28 1.092 -14.369 -5.747 1.00 0.00 C ATOM 290 C LEU A 28 1.713 -14.546 -7.133 1.00 0.00 C ATOM 291 O LEU A 28 1.310 -15.430 -7.887 1.00 0.00 O ATOM 292 CB LEU A 28 -0.409 -14.106 -5.882 1.00 0.00 C ATOM 293 CG LEU A 28 -1.240 -15.313 -6.322 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.811 -16.036 -5.111 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.356 -14.878 -7.261 1.00 0.00 C ATOM 0 H LEU A 28 1.332 -12.360 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 28 1.250 -15.288 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.788 -13.753 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.558 -13.300 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.589 -16.003 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.399 -16.892 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.996 -16.380 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.448 -15.354 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.937 -15.749 -7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.006 -14.168 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.925 -14.404 -8.143 1.00 0.00 H new ATOM 307 N GLN A 29 2.697 -13.707 -7.462 1.00 0.00 N ATOM 308 CA GLN A 29 3.373 -13.778 -8.749 1.00 0.00 C ATOM 309 C GLN A 29 4.262 -12.561 -8.970 1.00 0.00 C ATOM 310 O GLN A 29 4.282 -11.635 -8.160 1.00 0.00 O ATOM 311 CB GLN A 29 2.362 -13.890 -9.895 1.00 0.00 C ATOM 312 CG GLN A 29 1.228 -12.884 -9.805 1.00 0.00 C ATOM 313 CD GLN A 29 0.042 -13.260 -10.672 1.00 0.00 C ATOM 314 OE1 GLN A 29 -0.842 -14.002 -10.246 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.019 -12.747 -11.897 1.00 0.00 N ATOM 0 H GLN A 29 3.041 -12.969 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 29 3.997 -14.672 -8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.883 -13.754 -10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.944 -14.897 -9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.903 -12.801 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.594 -11.902 -10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.774 -12.136 -12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.754 -12.964 -12.526 1.00 0.00 H new ATOM 324 N ASP A 30 4.996 -12.576 -10.075 1.00 0.00 N ATOM 325 CA ASP A 30 5.895 -11.480 -10.419 1.00 0.00 C ATOM 326 C ASP A 30 5.114 -10.285 -10.954 1.00 0.00 C ATOM 327 O ASP A 30 4.176 -10.444 -11.737 1.00 0.00 O ATOM 328 CB ASP A 30 6.921 -11.939 -11.456 1.00 0.00 C ATOM 329 CG ASP A 30 8.022 -10.920 -11.670 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.969 -10.889 -10.857 1.00 0.00 O ATOM 331 OD2 ASP A 30 7.936 -10.149 -12.650 1.00 0.00 O ATOM 0 H ASP A 30 4.987 -13.339 -10.752 1.00 0.00 H new ATOM 0 HA ASP A 30 6.418 -11.174 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.361 -12.883 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.416 -12.129 -12.403 1.00 0.00 H new ATOM 336 N TYR A 31 5.504 -9.090 -10.526 1.00 0.00 N ATOM 337 CA TYR A 31 4.837 -7.868 -10.962 1.00 0.00 C ATOM 338 C TYR A 31 5.721 -6.646 -10.723 1.00 0.00 C ATOM 339 O TYR A 31 5.617 -5.985 -9.690 1.00 0.00 O ATOM 340 CB TYR A 31 3.502 -7.709 -10.228 1.00 0.00 C ATOM 341 CG TYR A 31 2.823 -6.379 -10.467 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.391 -6.014 -11.736 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.616 -5.489 -9.422 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.771 -4.798 -11.956 1.00 0.00 C ATOM 345 CE2 TYR A 31 1.996 -4.272 -9.633 1.00 0.00 C ATOM 346 CZ TYR A 31 1.577 -3.931 -10.901 1.00 0.00 C ATOM 347 OH TYR A 31 0.960 -2.720 -11.116 1.00 0.00 O ATOM 0 H TYR A 31 6.278 -8.941 -9.878 1.00 0.00 H new ATOM 0 HA TYR A 31 4.648 -7.944 -12.033 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.830 -8.509 -10.539 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.670 -7.832 -9.158 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.542 -6.691 -12.564 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.945 -5.752 -8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.440 -4.529 -12.948 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.841 -3.592 -8.809 1.00 0.00 H new ATOM 0 HH TYR A 31 0.900 -2.229 -10.270 1.00 0.00 H new ATOM 357 N MET A 32 6.597 -6.358 -11.681 1.00 0.00 N ATOM 358 CA MET A 32 7.499 -5.238 -11.579 1.00 0.00 C ATOM 359 C MET A 32 6.737 -3.916 -11.572 1.00 0.00 C ATOM 360 O MET A 32 5.807 -3.720 -12.354 1.00 0.00 O ATOM 361 CB MET A 32 8.504 -5.261 -12.734 1.00 0.00 C ATOM 362 CG MET A 32 9.955 -5.244 -12.280 1.00 0.00 C ATOM 363 SD MET A 32 11.105 -4.978 -13.642 1.00 0.00 S ATOM 364 CE MET A 32 11.889 -6.585 -13.744 1.00 0.00 C ATOM 0 H MET A 32 6.694 -6.897 -12.542 1.00 0.00 H new ATOM 0 HA MET A 32 8.038 -5.324 -10.635 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.331 -6.153 -13.337 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.324 -4.401 -13.378 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.090 -4.458 -11.537 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.190 -6.189 -11.791 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.629 -6.579 -14.544 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.380 -6.811 -12.797 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.136 -7.345 -13.952 1.00 0.00 H new ATOM 374 N ALA A 33 7.134 -3.022 -10.669 1.00 0.00 N ATOM 375 CA ALA A 33 6.503 -1.720 -10.524 1.00 0.00 C ATOM 376 C ALA A 33 6.122 -1.109 -11.874 1.00 0.00 C ATOM 377 O ALA A 33 6.888 -1.187 -12.835 1.00 0.00 O ATOM 378 CB ALA A 33 7.421 -0.780 -9.760 1.00 0.00 C ATOM 0 H ALA A 33 7.903 -3.184 -10.019 1.00 0.00 H new ATOM 0 HA ALA A 33 5.580 -1.863 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.941 0.193 -9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.623 -1.192 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.359 -0.665 -10.304 1.00 0.00 H new ATOM 384 N PRO A 34 4.932 -0.486 -11.965 1.00 0.00 N ATOM 385 CA PRO A 34 4.464 0.141 -13.205 1.00 0.00 C ATOM 386 C PRO A 34 5.378 1.275 -13.656 1.00 0.00 C ATOM 387 O PRO A 34 5.794 1.329 -14.813 1.00 0.00 O ATOM 388 CB PRO A 34 3.077 0.690 -12.844 1.00 0.00 C ATOM 389 CG PRO A 34 2.678 -0.035 -11.603 1.00 0.00 C ATOM 390 CD PRO A 34 3.955 -0.340 -10.874 1.00 0.00 C ATOM 0 HA PRO A 34 4.448 -0.569 -14.032 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.111 1.767 -12.677 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.363 0.515 -13.649 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.015 0.576 -10.990 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.137 -0.950 -11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.231 0.463 -10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.873 -1.251 -10.281 1.00 0.00 H new ATOM 398 N ASP A 35 5.688 2.179 -12.731 1.00 0.00 N ATOM 399 CA ASP A 35 6.553 3.313 -13.029 1.00 0.00 C ATOM 400 C ASP A 35 6.934 4.060 -11.754 1.00 0.00 C ATOM 401 O ASP A 35 6.579 3.645 -10.651 1.00 0.00 O ATOM 402 CB ASP A 35 5.858 4.265 -14.005 1.00 0.00 C ATOM 403 CG ASP A 35 6.782 4.739 -15.110 1.00 0.00 C ATOM 404 OD1 ASP A 35 7.991 4.903 -14.844 1.00 0.00 O ATOM 405 OD2 ASP A 35 6.296 4.943 -16.243 1.00 0.00 O ATOM 0 H ASP A 35 5.352 2.147 -11.768 1.00 0.00 H new ATOM 0 HA ASP A 35 7.465 2.932 -13.489 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.997 3.763 -14.446 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.478 5.128 -13.458 1.00 0.00 H new ATOM 410 N CYS A 36 7.658 5.163 -11.915 1.00 0.00 N ATOM 411 CA CYS A 36 8.088 5.971 -10.779 1.00 0.00 C ATOM 412 C CYS A 36 8.944 5.155 -9.814 1.00 0.00 C ATOM 413 O CYS A 36 9.020 5.466 -8.625 1.00 0.00 O ATOM 414 CB CYS A 36 6.874 6.541 -10.043 1.00 0.00 C ATOM 415 SG CYS A 36 7.285 7.817 -8.809 1.00 0.00 S ATOM 0 H CYS A 36 7.960 5.518 -12.822 1.00 0.00 H new ATOM 0 HA CYS A 36 8.693 6.792 -11.163 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.186 6.966 -10.774 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.348 5.726 -9.546 1.00 0.00 H new ATOM 420 N ARG A 37 9.591 4.114 -10.331 1.00 0.00 N ATOM 421 CA ARG A 37 10.445 3.259 -9.512 1.00 0.00 C ATOM 422 C ARG A 37 9.691 2.739 -8.288 1.00 0.00 C ATOM 423 O ARG A 37 10.194 2.796 -7.165 1.00 0.00 O ATOM 424 CB ARG A 37 11.692 4.027 -9.071 1.00 0.00 C ATOM 425 CG ARG A 37 12.864 3.129 -8.707 1.00 0.00 C ATOM 426 CD ARG A 37 13.827 3.828 -7.759 1.00 0.00 C ATOM 427 NE ARG A 37 14.562 4.903 -8.420 1.00 0.00 N ATOM 428 CZ ARG A 37 15.689 5.432 -7.946 1.00 0.00 C ATOM 429 NH1 ARG A 37 16.211 4.988 -6.809 1.00 0.00 N ATOM 430 NH2 ARG A 37 16.295 6.406 -8.611 1.00 0.00 N ATOM 0 H ARG A 37 9.540 3.842 -11.313 1.00 0.00 H new ATOM 0 HA ARG A 37 10.746 2.403 -10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.996 4.700 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.441 4.648 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.493 2.215 -8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.393 2.834 -9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.272 4.235 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.532 3.100 -7.357 1.00 0.00 H new ATOM 0 HE ARG A 37 14.191 5.270 -9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.749 4.238 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.074 5.396 -6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.898 6.750 -9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.158 6.811 -8.248 1.00 0.00 H new ATOM 444 N PHE A 38 8.483 2.233 -8.512 1.00 0.00 N ATOM 445 CA PHE A 38 7.663 1.705 -7.427 1.00 0.00 C ATOM 446 C PHE A 38 8.245 0.401 -6.887 1.00 0.00 C ATOM 447 O PHE A 38 9.389 0.052 -7.180 1.00 0.00 O ATOM 448 CB PHE A 38 6.226 1.487 -7.910 1.00 0.00 C ATOM 449 CG PHE A 38 5.235 2.420 -7.276 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.254 2.647 -5.908 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.286 3.073 -8.045 1.00 0.00 C ATOM 452 CE1 PHE A 38 4.343 3.505 -5.322 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.373 3.932 -7.465 1.00 0.00 C ATOM 454 CZ PHE A 38 3.402 4.149 -6.101 1.00 0.00 C ATOM 0 H PHE A 38 8.050 2.177 -9.434 1.00 0.00 H new ATOM 0 HA PHE A 38 7.657 2.434 -6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.191 1.613 -8.992 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.932 0.459 -7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.989 2.148 -5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.260 2.908 -9.112 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.367 3.672 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.638 4.433 -8.077 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.690 4.821 -5.645 1.00 0.00 H new ATOM 464 N LEU A 39 7.452 -0.313 -6.093 1.00 0.00 N ATOM 465 CA LEU A 39 7.891 -1.576 -5.509 1.00 0.00 C ATOM 466 C LEU A 39 7.318 -2.767 -6.272 1.00 0.00 C ATOM 467 O LEU A 39 6.105 -2.872 -6.456 1.00 0.00 O ATOM 468 CB LEU A 39 7.472 -1.654 -4.040 1.00 0.00 C ATOM 469 CG LEU A 39 8.081 -2.818 -3.257 1.00 0.00 C ATOM 470 CD1 LEU A 39 8.437 -2.385 -1.843 1.00 0.00 C ATOM 471 CD2 LEU A 39 7.122 -4.000 -3.229 1.00 0.00 C ATOM 0 H LEU A 39 6.503 -0.039 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 39 8.978 -1.615 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.748 -0.721 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.386 -1.731 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 39 8.997 -3.129 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.869 -3.227 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.160 -1.570 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.537 -2.047 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.571 -4.820 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.189 -3.701 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.918 -4.327 -4.249 1.00 0.00 H new ATOM 483 N THR A 40 8.198 -3.663 -6.713 1.00 0.00 N ATOM 484 CA THR A 40 7.779 -4.846 -7.454 1.00 0.00 C ATOM 485 C THR A 40 7.379 -5.976 -6.511 1.00 0.00 C ATOM 486 O THR A 40 7.773 -5.997 -5.345 1.00 0.00 O ATOM 487 CB THR A 40 8.905 -5.315 -8.376 1.00 0.00 C ATOM 488 OG1 THR A 40 8.593 -6.568 -8.959 1.00 0.00 O ATOM 489 CG2 THR A 40 10.234 -5.463 -7.676 1.00 0.00 C ATOM 0 H THR A 40 9.205 -3.591 -6.569 1.00 0.00 H new ATOM 0 HA THR A 40 6.909 -4.576 -8.052 1.00 0.00 H new ATOM 0 HB THR A 40 8.993 -4.535 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.244 -6.773 -9.662 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.986 -5.799 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.534 -4.502 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.143 -6.195 -6.874 1.00 0.00 H new ATOM 497 N ILE A 41 6.592 -6.914 -7.030 1.00 0.00 N ATOM 498 CA ILE A 41 6.134 -8.055 -6.245 1.00 0.00 C ATOM 499 C ILE A 41 6.504 -9.367 -6.932 1.00 0.00 C ATOM 500 O ILE A 41 5.890 -9.749 -7.929 1.00 0.00 O ATOM 501 CB ILE A 41 4.607 -8.002 -6.026 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.214 -6.691 -5.341 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.141 -9.192 -5.201 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.175 -5.506 -6.282 1.00 0.00 C ATOM 0 H ILE A 41 6.258 -6.906 -7.994 1.00 0.00 H new ATOM 0 HA ILE A 41 6.630 -8.006 -5.276 1.00 0.00 H new ATOM 0 HB ILE A 41 4.118 -8.048 -6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.234 -6.811 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.921 -6.484 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.062 -9.135 -5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.390 -10.116 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.637 -9.178 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.889 -4.611 -5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.160 -5.360 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.447 -5.692 -7.072 1.00 0.00 H new ATOM 516 N HIS A 42 7.516 -10.048 -6.401 1.00 0.00 N ATOM 517 CA HIS A 42 7.973 -11.313 -6.972 1.00 0.00 C ATOM 518 C HIS A 42 7.431 -12.507 -6.191 1.00 0.00 C ATOM 519 O HIS A 42 7.187 -12.418 -4.988 1.00 0.00 O ATOM 520 CB HIS A 42 9.501 -11.361 -6.995 1.00 0.00 C ATOM 521 CG HIS A 42 10.050 -12.554 -7.713 1.00 0.00 C ATOM 522 ND1 HIS A 42 9.686 -12.890 -9.000 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.941 -13.494 -7.318 1.00 0.00 C ATOM 524 CE1 HIS A 42 10.327 -13.986 -9.365 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.095 -14.371 -8.363 1.00 0.00 N ATOM 0 H HIS A 42 8.035 -9.746 -5.577 1.00 0.00 H new ATOM 0 HA HIS A 42 7.592 -11.373 -7.992 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.878 -10.455 -7.470 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.872 -11.361 -5.970 1.00 0.00 H new ATOM 0 HD1 HIS A 42 9.025 -12.373 -9.580 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.438 -13.544 -6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.238 -14.482 -10.320 1.00 0.00 H new ATOM 534 N ARG A 43 7.246 -13.626 -6.890 1.00 0.00 N ATOM 535 CA ARG A 43 6.731 -14.851 -6.280 1.00 0.00 C ATOM 536 C ARG A 43 7.410 -15.147 -4.944 1.00 0.00 C ATOM 537 O ARG A 43 8.504 -14.655 -4.664 1.00 0.00 O ATOM 538 CB ARG A 43 6.936 -16.040 -7.227 1.00 0.00 C ATOM 539 CG ARG A 43 5.692 -16.443 -8.005 1.00 0.00 C ATOM 540 CD ARG A 43 4.474 -16.569 -7.103 1.00 0.00 C ATOM 541 NE ARG A 43 3.474 -17.480 -7.656 1.00 0.00 N ATOM 542 CZ ARG A 43 3.552 -18.806 -7.573 1.00 0.00 C ATOM 543 NH1 ARG A 43 4.582 -19.381 -6.964 1.00 0.00 N ATOM 544 NH2 ARG A 43 2.597 -19.561 -8.100 1.00 0.00 N ATOM 0 H ARG A 43 7.447 -13.709 -7.887 1.00 0.00 H new ATOM 0 HA ARG A 43 5.667 -14.701 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.728 -15.794 -7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.281 -16.896 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.494 -15.704 -8.781 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.871 -17.393 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.786 -16.926 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.027 -15.585 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 43 2.669 -17.076 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.319 -18.806 -6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.636 -20.398 -6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.803 -19.125 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.657 -20.577 -8.036 1.00 0.00 H new ATOM 558 N GLY A 44 6.750 -15.971 -4.132 1.00 0.00 N ATOM 559 CA GLY A 44 7.287 -16.352 -2.834 1.00 0.00 C ATOM 560 C GLY A 44 7.896 -15.192 -2.068 1.00 0.00 C ATOM 561 O GLY A 44 9.015 -15.296 -1.564 1.00 0.00 O ATOM 0 H GLY A 44 5.844 -16.385 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.491 -16.794 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.045 -17.122 -2.975 1.00 0.00 H new ATOM 565 N GLN A 45 7.163 -14.089 -1.975 1.00 0.00 N ATOM 566 CA GLN A 45 7.644 -12.915 -1.260 1.00 0.00 C ATOM 567 C GLN A 45 6.560 -12.351 -0.348 1.00 0.00 C ATOM 568 O GLN A 45 5.560 -11.811 -0.819 1.00 0.00 O ATOM 569 CB GLN A 45 8.104 -11.842 -2.248 1.00 0.00 C ATOM 570 CG GLN A 45 9.223 -10.964 -1.716 1.00 0.00 C ATOM 571 CD GLN A 45 9.925 -10.185 -2.812 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.842 -8.958 -2.868 1.00 0.00 O ATOM 573 NE2 GLN A 45 10.619 -10.896 -3.691 1.00 0.00 N ATOM 0 H GLN A 45 6.235 -13.984 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 45 8.491 -13.218 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.438 -12.325 -3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.253 -11.213 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.816 -10.267 -0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.951 -11.586 -1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.661 -11.912 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.111 -10.427 -4.451 1.00 0.00 H new ATOM 582 N VAL A 46 6.767 -12.473 0.960 1.00 0.00 N ATOM 583 CA VAL A 46 5.805 -11.968 1.930 1.00 0.00 C ATOM 584 C VAL A 46 5.796 -10.445 1.925 1.00 0.00 C ATOM 585 O VAL A 46 6.783 -9.813 1.548 1.00 0.00 O ATOM 586 CB VAL A 46 6.123 -12.473 3.348 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.101 -11.955 4.349 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.181 -13.992 3.373 1.00 0.00 C ATOM 0 H VAL A 46 7.589 -12.916 1.370 1.00 0.00 H new ATOM 0 HA VAL A 46 4.821 -12.339 1.642 1.00 0.00 H new ATOM 0 HB VAL A 46 7.101 -12.088 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.347 -12.325 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.116 -10.865 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.107 -12.303 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.407 -14.331 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.219 -14.398 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.959 -14.338 2.692 1.00 0.00 H new ATOM 598 N VAL A 47 4.678 -9.859 2.337 1.00 0.00 N ATOM 599 CA VAL A 47 4.541 -8.425 2.371 1.00 0.00 C ATOM 600 C VAL A 47 3.590 -7.983 3.480 1.00 0.00 C ATOM 601 O VAL A 47 2.646 -8.694 3.821 1.00 0.00 O ATOM 602 CB VAL A 47 4.036 -7.875 1.021 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.253 -6.375 0.917 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.697 -8.598 -0.143 1.00 0.00 C ATOM 0 H VAL A 47 3.852 -10.368 2.653 1.00 0.00 H new ATOM 0 HA VAL A 47 5.533 -8.020 2.571 1.00 0.00 H new ATOM 0 HB VAL A 47 2.963 -8.060 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.886 -6.020 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.712 -5.873 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.317 -6.154 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.324 -8.191 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.777 -8.460 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.464 -9.662 -0.090 1.00 0.00 H new ATOM 614 N TYR A 48 3.845 -6.802 4.036 1.00 0.00 N ATOM 615 CA TYR A 48 3.009 -6.262 5.103 1.00 0.00 C ATOM 616 C TYR A 48 2.325 -4.973 4.657 1.00 0.00 C ATOM 617 O TYR A 48 2.933 -3.902 4.665 1.00 0.00 O ATOM 618 CB TYR A 48 3.851 -5.998 6.353 1.00 0.00 C ATOM 619 CG TYR A 48 3.844 -7.139 7.345 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.789 -7.306 8.234 1.00 0.00 C ATOM 621 CD2 TYR A 48 4.892 -8.050 7.393 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.779 -8.347 9.143 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.889 -9.094 8.298 1.00 0.00 C ATOM 624 CZ TYR A 48 3.831 -9.239 9.171 1.00 0.00 C ATOM 625 OH TYR A 48 3.825 -10.277 10.074 1.00 0.00 O ATOM 0 H TYR A 48 4.624 -6.201 3.765 1.00 0.00 H new ATOM 0 HA TYR A 48 2.241 -6.999 5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.879 -5.797 6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.482 -5.098 6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.963 -6.611 8.214 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.723 -7.940 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.952 -8.462 9.828 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.712 -9.794 8.322 1.00 0.00 H new ATOM 0 HH TYR A 48 3.629 -11.116 9.607 1.00 0.00 H new ATOM 635 N VAL A 49 1.058 -5.082 4.269 1.00 0.00 N ATOM 636 CA VAL A 49 0.294 -3.922 3.822 1.00 0.00 C ATOM 637 C VAL A 49 -0.003 -2.984 4.986 1.00 0.00 C ATOM 638 O VAL A 49 -0.452 -3.416 6.047 1.00 0.00 O ATOM 639 CB VAL A 49 -1.031 -4.342 3.156 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.757 -3.128 2.597 1.00 0.00 C ATOM 641 CG2 VAL A 49 -0.776 -5.369 2.063 1.00 0.00 C ATOM 0 H VAL A 49 0.539 -5.960 4.255 1.00 0.00 H new ATOM 0 HA VAL A 49 0.906 -3.401 3.086 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.668 -4.800 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.690 -3.445 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.974 -2.430 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.128 -2.638 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.722 -5.654 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.120 -4.939 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.302 -6.250 2.495 1.00 0.00 H new ATOM 651 N PHE A 50 0.256 -1.698 4.778 1.00 0.00 N ATOM 652 CA PHE A 50 0.022 -0.695 5.808 1.00 0.00 C ATOM 653 C PHE A 50 -1.267 0.076 5.539 1.00 0.00 C ATOM 654 O PHE A 50 -1.888 0.603 6.461 1.00 0.00 O ATOM 655 CB PHE A 50 1.207 0.271 5.885 1.00 0.00 C ATOM 656 CG PHE A 50 1.878 0.292 7.228 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.684 -0.761 7.630 1.00 0.00 C ATOM 658 CD2 PHE A 50 1.703 1.364 8.087 1.00 0.00 C ATOM 659 CE1 PHE A 50 3.303 -0.744 8.865 1.00 0.00 C ATOM 660 CE2 PHE A 50 2.319 1.386 9.324 1.00 0.00 C ATOM 661 CZ PHE A 50 3.119 0.331 9.714 1.00 0.00 C ATOM 0 H PHE A 50 0.628 -1.326 3.904 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.081 -1.209 6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.940 -0.004 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.862 1.277 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.830 -1.604 6.971 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.078 2.192 7.787 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.930 -1.570 9.167 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.175 2.228 9.985 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.600 0.345 10.681 1.00 0.00 H new ATOM 671 N SER A 51 -1.664 0.142 4.271 1.00 0.00 N ATOM 672 CA SER A 51 -2.878 0.853 3.893 1.00 0.00 C ATOM 673 C SER A 51 -3.280 0.529 2.459 1.00 0.00 C ATOM 674 O SER A 51 -2.512 -0.077 1.710 1.00 0.00 O ATOM 675 CB SER A 51 -2.681 2.362 4.051 1.00 0.00 C ATOM 676 OG SER A 51 -1.322 2.720 3.873 1.00 0.00 O ATOM 0 H SER A 51 -1.164 -0.287 3.492 1.00 0.00 H new ATOM 0 HA SER A 51 -3.679 0.525 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.298 2.891 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.016 2.674 5.040 1.00 0.00 H new ATOM 0 HG SER A 51 -1.223 3.689 3.977 1.00 0.00 H new ATOM 682 N LYS A 52 -4.487 0.937 2.083 1.00 0.00 N ATOM 683 CA LYS A 52 -4.993 0.691 0.737 1.00 0.00 C ATOM 684 C LYS A 52 -5.714 1.919 0.194 1.00 0.00 C ATOM 685 O LYS A 52 -6.920 2.080 0.386 1.00 0.00 O ATOM 686 CB LYS A 52 -5.936 -0.517 0.729 1.00 0.00 C ATOM 687 CG LYS A 52 -6.754 -0.666 2.003 1.00 0.00 C ATOM 688 CD LYS A 52 -7.954 -1.576 1.790 1.00 0.00 C ATOM 689 CE LYS A 52 -8.413 -2.203 3.097 1.00 0.00 C ATOM 690 NZ LYS A 52 -7.787 -3.535 3.326 1.00 0.00 N ATOM 0 H LYS A 52 -5.134 1.440 2.691 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.141 0.477 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.615 -0.431 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.349 -1.423 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.125 -1.071 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.094 0.315 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.772 -1.005 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.696 -2.361 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.165 -1.539 3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.498 -2.309 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.388 -4.096 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.687 -4.032 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.849 -3.408 3.757 1.00 0.00 H new ATOM 704 N LEU A 53 -4.968 2.784 -0.487 1.00 0.00 N ATOM 705 CA LEU A 53 -5.533 3.999 -1.060 1.00 0.00 C ATOM 706 C LEU A 53 -6.658 3.668 -2.035 1.00 0.00 C ATOM 707 O LEU A 53 -6.603 2.662 -2.743 1.00 0.00 O ATOM 708 CB LEU A 53 -4.445 4.804 -1.775 1.00 0.00 C ATOM 709 CG LEU A 53 -4.667 6.318 -1.797 1.00 0.00 C ATOM 710 CD1 LEU A 53 -3.409 7.052 -1.356 1.00 0.00 C ATOM 711 CD2 LEU A 53 -5.094 6.776 -3.184 1.00 0.00 C ATOM 0 H LEU A 53 -3.969 2.665 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.944 4.597 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.488 4.600 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.368 4.449 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.466 6.556 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.588 8.127 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.148 6.749 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.589 6.806 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.247 7.855 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.318 6.522 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.024 6.279 -3.461 1.00 0.00 H new ATOM 723 N LYS A 54 -7.679 4.518 -2.065 1.00 0.00 N ATOM 724 CA LYS A 54 -8.818 4.310 -2.952 1.00 0.00 C ATOM 725 C LYS A 54 -9.191 5.603 -3.678 1.00 0.00 C ATOM 726 O LYS A 54 -8.376 6.519 -3.787 1.00 0.00 O ATOM 727 CB LYS A 54 -10.014 3.776 -2.157 1.00 0.00 C ATOM 728 CG LYS A 54 -10.695 4.826 -1.296 1.00 0.00 C ATOM 729 CD LYS A 54 -11.927 4.269 -0.604 1.00 0.00 C ATOM 730 CE LYS A 54 -12.701 5.360 0.119 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.922 4.827 0.783 1.00 0.00 N ATOM 0 H LYS A 54 -7.741 5.356 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.537 3.573 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.744 3.360 -2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.679 2.958 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.993 5.195 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.978 5.677 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.573 3.789 -1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.629 3.500 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.058 5.829 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.984 6.136 -0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.422 5.602 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.548 4.402 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.651 4.104 1.480 1.00 0.00 H new ATOM 745 N GLY A 55 -10.422 5.668 -4.178 1.00 0.00 N ATOM 746 CA GLY A 55 -10.871 6.848 -4.891 1.00 0.00 C ATOM 747 C GLY A 55 -10.564 6.764 -6.371 1.00 0.00 C ATOM 748 O GLY A 55 -11.466 6.805 -7.207 1.00 0.00 O ATOM 0 H GLY A 55 -11.115 4.924 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.945 6.971 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.391 7.731 -4.470 1.00 0.00 H new ATOM 752 N ARG A 56 -9.281 6.636 -6.692 1.00 0.00 N ATOM 753 CA ARG A 56 -8.845 6.533 -8.079 1.00 0.00 C ATOM 754 C ARG A 56 -8.038 5.255 -8.309 1.00 0.00 C ATOM 755 O ARG A 56 -7.634 4.964 -9.436 1.00 0.00 O ATOM 756 CB ARG A 56 -8.008 7.754 -8.467 1.00 0.00 C ATOM 757 CG ARG A 56 -6.775 7.947 -7.599 1.00 0.00 C ATOM 758 CD ARG A 56 -5.683 8.703 -8.340 1.00 0.00 C ATOM 759 NE ARG A 56 -4.940 7.836 -9.254 1.00 0.00 N ATOM 760 CZ ARG A 56 -5.204 7.719 -10.555 1.00 0.00 C ATOM 761 NH1 ARG A 56 -6.196 8.406 -11.109 1.00 0.00 N ATOM 762 NH2 ARG A 56 -4.472 6.907 -11.306 1.00 0.00 N ATOM 0 H ARG A 56 -8.524 6.601 -6.009 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.735 6.496 -8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.698 7.656 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.631 8.646 -8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.047 8.492 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.396 6.975 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.128 9.525 -8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.995 9.145 -7.619 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.171 7.286 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.765 9.031 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.389 8.309 -12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.710 6.374 -10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.672 6.815 -12.302 1.00 0.00 H new ATOM 776 N GLY A 57 -7.804 4.493 -7.240 1.00 0.00 N ATOM 777 CA GLY A 57 -7.045 3.262 -7.366 1.00 0.00 C ATOM 778 C GLY A 57 -7.086 2.421 -6.104 1.00 0.00 C ATOM 779 O GLY A 57 -6.085 2.300 -5.400 1.00 0.00 O ATOM 0 H GLY A 57 -8.125 4.706 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.439 2.680 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.009 3.501 -7.606 1.00 0.00 H new ATOM 783 N ARG A 58 -8.246 1.840 -5.816 1.00 0.00 N ATOM 784 CA ARG A 58 -8.415 1.009 -4.635 1.00 0.00 C ATOM 785 C ARG A 58 -7.366 -0.099 -4.586 1.00 0.00 C ATOM 786 O ARG A 58 -6.838 -0.421 -3.522 1.00 0.00 O ATOM 787 CB ARG A 58 -9.818 0.402 -4.618 1.00 0.00 C ATOM 788 CG ARG A 58 -10.348 0.139 -3.220 1.00 0.00 C ATOM 789 CD ARG A 58 -11.845 -0.129 -3.234 1.00 0.00 C ATOM 790 NE ARG A 58 -12.395 -0.236 -1.885 1.00 0.00 N ATOM 791 CZ ARG A 58 -12.294 -1.326 -1.128 1.00 0.00 C ATOM 792 NH1 ARG A 58 -11.665 -2.402 -1.584 1.00 0.00 N ATOM 793 NH2 ARG A 58 -12.823 -1.339 0.088 1.00 0.00 N ATOM 0 H ARG A 58 -9.085 1.932 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.284 1.639 -3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.502 1.074 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.807 -0.534 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.828 -0.716 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.137 0.997 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.352 0.674 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.043 -1.051 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.885 0.572 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.256 -2.396 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.590 -3.235 -1.000 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.307 -0.514 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.746 -2.174 0.669 1.00 0.00 H new ATOM 807 N LEU A 59 -7.078 -0.684 -5.744 1.00 0.00 N ATOM 808 CA LEU A 59 -6.105 -1.762 -5.842 1.00 0.00 C ATOM 809 C LEU A 59 -4.718 -1.315 -5.386 1.00 0.00 C ATOM 810 O LEU A 59 -3.912 -2.128 -4.937 1.00 0.00 O ATOM 811 CB LEU A 59 -6.036 -2.285 -7.278 1.00 0.00 C ATOM 812 CG LEU A 59 -5.735 -1.224 -8.338 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.261 -0.847 -8.314 1.00 0.00 C ATOM 814 CD2 LEU A 59 -6.140 -1.722 -9.718 1.00 0.00 C ATOM 0 H LEU A 59 -7.509 -0.426 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.435 -2.562 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.269 -3.058 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.986 -2.761 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.319 -0.332 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.066 -0.091 -9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.003 -0.449 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.656 -1.731 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.919 -0.955 -10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.583 -2.628 -9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.208 -1.939 -9.727 1.00 0.00 H new ATOM 826 N PHE A 60 -4.448 -0.021 -5.506 1.00 0.00 N ATOM 827 CA PHE A 60 -3.158 0.535 -5.110 1.00 0.00 C ATOM 828 C PHE A 60 -2.949 0.388 -3.608 1.00 0.00 C ATOM 829 O PHE A 60 -3.047 1.356 -2.853 1.00 0.00 O ATOM 830 CB PHE A 60 -3.060 2.007 -5.524 1.00 0.00 C ATOM 831 CG PHE A 60 -1.914 2.296 -6.453 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.597 1.419 -7.480 1.00 0.00 C ATOM 833 CD2 PHE A 60 -1.154 3.444 -6.300 1.00 0.00 C ATOM 834 CE1 PHE A 60 -0.545 1.683 -8.336 1.00 0.00 C ATOM 835 CE2 PHE A 60 -0.100 3.713 -7.153 1.00 0.00 C ATOM 836 CZ PHE A 60 0.205 2.832 -8.172 1.00 0.00 C ATOM 0 H PHE A 60 -5.106 0.665 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.372 -0.021 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.991 2.303 -6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.955 2.621 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.179 0.519 -7.612 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.388 4.137 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.309 0.992 -9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.485 4.612 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.028 3.041 -8.839 1.00 0.00 H new ATOM 846 N TRP A 61 -2.665 -0.835 -3.188 1.00 0.00 N ATOM 847 CA TRP A 61 -2.445 -1.134 -1.776 1.00 0.00 C ATOM 848 C TRP A 61 -1.022 -0.786 -1.355 1.00 0.00 C ATOM 849 O TRP A 61 -0.056 -1.336 -1.883 1.00 0.00 O ATOM 850 CB TRP A 61 -2.720 -2.614 -1.498 1.00 0.00 C ATOM 851 CG TRP A 61 -4.180 -2.938 -1.409 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.198 -2.322 -2.076 1.00 0.00 C ATOM 853 CD2 TRP A 61 -4.786 -3.957 -0.605 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.397 -2.892 -1.739 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.173 -3.899 -0.837 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.291 -4.913 0.286 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.069 -4.761 -0.209 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.182 -5.767 0.909 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.558 -5.687 0.659 1.00 0.00 C ATOM 0 H TRP A 61 -2.581 -1.642 -3.806 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.135 -0.524 -1.193 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.269 -3.215 -2.288 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.234 -2.898 -0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.076 -1.503 -2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.309 -2.612 -2.101 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.232 -4.983 0.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.130 -4.701 -0.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.811 -6.509 1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.228 -6.369 1.161 1.00 0.00 H new ATOM 870 N GLY A 62 -0.901 0.126 -0.394 1.00 0.00 N ATOM 871 CA GLY A 62 0.408 0.527 0.086 1.00 0.00 C ATOM 872 C GLY A 62 0.923 -0.389 1.177 1.00 0.00 C ATOM 873 O GLY A 62 0.356 -0.447 2.267 1.00 0.00 O ATOM 0 H GLY A 62 -1.686 0.593 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.113 0.531 -0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.357 1.548 0.465 1.00 0.00 H new ATOM 877 N GLY A 63 2.000 -1.111 0.883 1.00 0.00 N ATOM 878 CA GLY A 63 2.567 -2.020 1.859 1.00 0.00 C ATOM 879 C GLY A 63 4.080 -2.052 1.820 1.00 0.00 C ATOM 880 O GLY A 63 4.719 -1.074 1.434 1.00 0.00 O ATOM 0 H GLY A 63 2.488 -1.082 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.240 -1.726 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.182 -3.024 1.681 1.00 0.00 H new ATOM 884 N SER A 64 4.653 -3.180 2.221 1.00 0.00 N ATOM 885 CA SER A 64 6.101 -3.348 2.233 1.00 0.00 C ATOM 886 C SER A 64 6.455 -4.828 2.179 1.00 0.00 C ATOM 887 O SER A 64 5.928 -5.626 2.953 1.00 0.00 O ATOM 888 CB SER A 64 6.706 -2.707 3.486 1.00 0.00 C ATOM 889 OG SER A 64 5.713 -2.052 4.257 1.00 0.00 O ATOM 0 H SER A 64 4.134 -3.996 2.544 1.00 0.00 H new ATOM 0 HA SER A 64 6.516 -2.851 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.193 -3.472 4.090 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.476 -1.992 3.196 1.00 0.00 H new ATOM 0 HG SER A 64 6.090 -1.792 5.124 1.00 0.00 H new ATOM 895 N VAL A 65 7.343 -5.197 1.264 1.00 0.00 N ATOM 896 CA VAL A 65 7.742 -6.567 1.118 1.00 0.00 C ATOM 897 C VAL A 65 8.665 -6.978 2.244 1.00 0.00 C ATOM 898 O VAL A 65 9.452 -6.184 2.758 1.00 0.00 O ATOM 899 CB VAL A 65 8.451 -6.836 -0.224 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.520 -7.546 -1.196 1.00 0.00 C ATOM 901 CG2 VAL A 65 9.005 -5.560 -0.845 1.00 0.00 C ATOM 0 H VAL A 65 7.795 -4.553 0.615 1.00 0.00 H new ATOM 0 HA VAL A 65 6.825 -7.156 1.146 1.00 0.00 H new ATOM 0 HB VAL A 65 9.298 -7.489 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.043 -7.725 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.205 -8.498 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.644 -6.924 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.496 -5.798 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.190 -4.860 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.727 -5.108 -0.165 1.00 0.00 H new ATOM 911 N GLN A 66 8.547 -8.230 2.612 1.00 0.00 N ATOM 912 CA GLN A 66 9.355 -8.805 3.684 1.00 0.00 C ATOM 913 C GLN A 66 10.842 -8.562 3.442 1.00 0.00 C ATOM 914 O GLN A 66 11.296 -8.516 2.299 1.00 0.00 O ATOM 915 CB GLN A 66 9.090 -10.306 3.803 1.00 0.00 C ATOM 916 CG GLN A 66 9.441 -11.086 2.546 1.00 0.00 C ATOM 917 CD GLN A 66 10.266 -12.325 2.839 1.00 0.00 C ATOM 918 OE1 GLN A 66 11.488 -12.319 2.691 1.00 0.00 O ATOM 919 NE2 GLN A 66 9.600 -13.396 3.255 1.00 0.00 N ATOM 0 H GLN A 66 7.893 -8.886 2.185 1.00 0.00 H new ATOM 0 HA GLN A 66 9.072 -8.315 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.665 -10.703 4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.037 -10.463 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.523 -11.378 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.993 -10.439 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.587 -13.356 3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.102 -14.259 3.466 1.00 0.00 H new ATOM 928 N GLY A 67 11.594 -8.405 4.527 1.00 0.00 N ATOM 929 CA GLY A 67 13.020 -8.167 4.413 1.00 0.00 C ATOM 930 C GLY A 67 13.821 -8.939 5.443 1.00 0.00 C ATOM 931 O GLY A 67 13.857 -8.570 6.616 1.00 0.00 O ATOM 0 H GLY A 67 11.240 -8.439 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.353 -8.447 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.218 -7.101 4.528 1.00 0.00 H new ATOM 935 N ASP A 68 14.464 -10.016 5.004 1.00 0.00 N ATOM 936 CA ASP A 68 15.266 -10.843 5.895 1.00 0.00 C ATOM 937 C ASP A 68 16.607 -10.180 6.192 1.00 0.00 C ATOM 938 O ASP A 68 17.010 -9.237 5.510 1.00 0.00 O ATOM 939 CB ASP A 68 15.493 -12.224 5.279 1.00 0.00 C ATOM 940 CG ASP A 68 14.202 -12.867 4.812 1.00 0.00 C ATOM 941 OD1 ASP A 68 13.756 -12.556 3.687 1.00 0.00 O ATOM 942 OD2 ASP A 68 13.635 -13.682 5.571 1.00 0.00 O ATOM 0 H ASP A 68 14.445 -10.336 4.036 1.00 0.00 H new ATOM 0 HA ASP A 68 14.721 -10.957 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.177 -12.135 4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.974 -12.871 6.012 1.00 0.00 H new ATOM 947 N TYR A 69 17.294 -10.679 7.214 1.00 0.00 N ATOM 948 CA TYR A 69 18.591 -10.136 7.603 1.00 0.00 C ATOM 949 C TYR A 69 19.727 -10.971 7.021 1.00 0.00 C ATOM 950 O TYR A 69 20.602 -11.443 7.747 1.00 0.00 O ATOM 951 CB TYR A 69 18.707 -10.082 9.128 1.00 0.00 C ATOM 952 CG TYR A 69 17.725 -9.132 9.777 1.00 0.00 C ATOM 953 CD1 TYR A 69 17.818 -7.761 9.574 1.00 0.00 C ATOM 954 CD2 TYR A 69 16.707 -9.607 10.594 1.00 0.00 C ATOM 955 CE1 TYR A 69 16.923 -6.890 10.167 1.00 0.00 C ATOM 956 CE2 TYR A 69 15.808 -8.743 11.189 1.00 0.00 C ATOM 957 CZ TYR A 69 15.920 -7.386 10.973 1.00 0.00 C ATOM 958 OH TYR A 69 15.028 -6.521 11.565 1.00 0.00 O ATOM 0 H TYR A 69 16.974 -11.459 7.788 1.00 0.00 H new ATOM 0 HA TYR A 69 18.669 -9.124 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 69 18.552 -11.083 9.531 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.720 -9.783 9.397 1.00 0.00 H new ATOM 0 HD1 TYR A 69 18.602 -7.369 8.943 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.617 -10.669 10.767 1.00 0.00 H new ATOM 0 HE1 TYR A 69 17.009 -5.826 10.000 1.00 0.00 H new ATOM 0 HE2 TYR A 69 15.021 -9.129 11.820 1.00 0.00 H new ATOM 0 HH TYR A 69 14.384 -7.031 12.100 1.00 0.00 H new ATOM 968 N TYR A 70 19.707 -11.150 5.703 1.00 0.00 N ATOM 969 CA TYR A 70 20.734 -11.928 5.021 1.00 0.00 C ATOM 970 C TYR A 70 21.526 -11.055 4.054 1.00 0.00 C ATOM 971 O TYR A 70 21.937 -11.508 2.986 1.00 0.00 O ATOM 972 CB TYR A 70 20.100 -13.099 4.267 1.00 0.00 C ATOM 973 CG TYR A 70 21.026 -14.281 4.092 1.00 0.00 C ATOM 974 CD1 TYR A 70 21.311 -15.127 5.156 1.00 0.00 C ATOM 975 CD2 TYR A 70 21.615 -14.551 2.864 1.00 0.00 C ATOM 976 CE1 TYR A 70 22.157 -16.209 5.001 1.00 0.00 C ATOM 977 CE2 TYR A 70 22.461 -15.631 2.699 1.00 0.00 C ATOM 978 CZ TYR A 70 22.729 -16.457 3.771 1.00 0.00 C ATOM 979 OH TYR A 70 23.571 -17.533 3.612 1.00 0.00 O ATOM 0 H TYR A 70 18.990 -10.766 5.087 1.00 0.00 H new ATOM 0 HA TYR A 70 21.419 -12.318 5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.208 -13.424 4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.775 -12.754 3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 70 20.864 -14.936 6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 70 21.408 -13.906 2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 70 22.369 -16.857 5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 70 22.910 -15.827 1.736 1.00 0.00 H new ATOM 0 HH TYR A 70 23.888 -17.566 2.685 1.00 0.00 H new ATOM 989 N GLY A 71 21.736 -9.799 4.435 1.00 0.00 N ATOM 990 CA GLY A 71 22.478 -8.881 3.591 1.00 0.00 C ATOM 991 C GLY A 71 21.613 -8.254 2.515 1.00 0.00 C ATOM 992 O GLY A 71 21.713 -8.614 1.342 1.00 0.00 O ATOM 0 H GLY A 71 21.405 -9.401 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 71 22.911 -8.094 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.307 -9.412 3.123 1.00 0.00 H new ATOM 996 N ASP A 72 20.765 -7.311 2.915 1.00 0.00 N ATOM 997 CA ASP A 72 19.879 -6.630 1.976 1.00 0.00 C ATOM 998 C ASP A 72 19.011 -5.608 2.700 1.00 0.00 C ATOM 999 O ASP A 72 17.783 -5.698 2.693 1.00 0.00 O ATOM 1000 CB ASP A 72 18.998 -7.642 1.240 1.00 0.00 C ATOM 1001 CG ASP A 72 18.756 -7.255 -0.206 1.00 0.00 C ATOM 1002 OD1 ASP A 72 19.674 -6.680 -0.827 1.00 0.00 O ATOM 1003 OD2 ASP A 72 17.648 -7.525 -0.716 1.00 0.00 O ATOM 0 H ASP A 72 20.673 -7.001 3.882 1.00 0.00 H new ATOM 0 HA ASP A 72 20.496 -6.106 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.470 -8.624 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.041 -7.729 1.755 1.00 0.00 H new ATOM 1008 N LEU A 73 19.662 -4.635 3.325 1.00 0.00 N ATOM 1009 CA LEU A 73 18.958 -3.589 4.058 1.00 0.00 C ATOM 1010 C LEU A 73 18.582 -2.435 3.133 1.00 0.00 C ATOM 1011 O LEU A 73 19.431 -1.628 2.755 1.00 0.00 O ATOM 1012 CB LEU A 73 19.824 -3.072 5.209 1.00 0.00 C ATOM 1013 CG LEU A 73 19.087 -2.216 6.239 1.00 0.00 C ATOM 1014 CD1 LEU A 73 18.237 -3.088 7.150 1.00 0.00 C ATOM 1015 CD2 LEU A 73 20.076 -1.396 7.054 1.00 0.00 C ATOM 0 H LEU A 73 20.678 -4.548 3.339 1.00 0.00 H new ATOM 0 HA LEU A 73 18.043 -4.019 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 73 20.269 -3.925 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.644 -2.487 4.792 1.00 0.00 H new ATOM 0 HG LEU A 73 18.426 -1.531 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.720 -2.460 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.504 -3.631 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.876 -3.798 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.535 -0.792 7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.761 -2.065 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.641 -0.742 6.390 1.00 0.00 H new ATOM 1027 N ALA A 74 17.303 -2.362 2.775 1.00 0.00 N ATOM 1028 CA ALA A 74 16.808 -1.308 1.898 1.00 0.00 C ATOM 1029 C ALA A 74 15.346 -1.544 1.531 1.00 0.00 C ATOM 1030 O ALA A 74 15.019 -1.802 0.373 1.00 0.00 O ATOM 1031 CB ALA A 74 17.662 -1.212 0.640 1.00 0.00 C ATOM 0 H ALA A 74 16.589 -3.023 3.081 1.00 0.00 H new ATOM 0 HA ALA A 74 16.875 -0.363 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.277 -0.420 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 74 18.692 -0.987 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 74 17.629 -2.161 0.105 1.00 0.00 H new ATOM 1037 N ALA A 75 14.471 -1.454 2.527 1.00 0.00 N ATOM 1038 CA ALA A 75 13.044 -1.659 2.309 1.00 0.00 C ATOM 1039 C ALA A 75 12.302 -0.329 2.236 1.00 0.00 C ATOM 1040 O ALA A 75 12.582 0.594 3.001 1.00 0.00 O ATOM 1041 CB ALA A 75 12.461 -2.528 3.414 1.00 0.00 C ATOM 0 H ALA A 75 14.725 -1.241 3.492 1.00 0.00 H new ATOM 0 HA ALA A 75 12.918 -2.169 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.395 -2.673 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.963 -3.496 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.607 -2.039 4.377 1.00 0.00 H new ATOM 1047 N ARG A 76 11.354 -0.238 1.308 1.00 0.00 N ATOM 1048 CA ARG A 76 10.569 0.977 1.133 1.00 0.00 C ATOM 1049 C ARG A 76 9.116 0.639 0.810 1.00 0.00 C ATOM 1050 O ARG A 76 8.841 -0.256 0.012 1.00 0.00 O ATOM 1051 CB ARG A 76 11.167 1.840 0.020 1.00 0.00 C ATOM 1052 CG ARG A 76 11.225 3.320 0.362 1.00 0.00 C ATOM 1053 CD ARG A 76 12.381 4.010 -0.342 1.00 0.00 C ATOM 1054 NE ARG A 76 12.016 4.453 -1.686 1.00 0.00 N ATOM 1055 CZ ARG A 76 12.707 5.353 -2.383 1.00 0.00 C ATOM 1056 NH1 ARG A 76 13.798 5.907 -1.867 1.00 0.00 N ATOM 1057 NH2 ARG A 76 12.306 5.699 -3.599 1.00 0.00 N ATOM 0 H ARG A 76 11.112 -0.992 0.666 1.00 0.00 H new ATOM 0 HA ARG A 76 10.595 1.538 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.174 1.487 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.577 1.708 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.287 3.797 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.330 3.441 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.705 4.868 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.228 3.327 -0.403 1.00 0.00 H new ATOM 0 HE ARG A 76 11.183 4.049 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.110 5.644 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.324 6.596 -2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.469 5.276 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.835 6.388 -4.133 1.00 0.00 H new ATOM 1071 N LEU A 77 8.191 1.357 1.438 1.00 0.00 N ATOM 1072 CA LEU A 77 6.768 1.127 1.216 1.00 0.00 C ATOM 1073 C LEU A 77 6.395 1.366 -0.242 1.00 0.00 C ATOM 1074 O LEU A 77 6.972 2.227 -0.909 1.00 0.00 O ATOM 1075 CB LEU A 77 5.934 2.035 2.125 1.00 0.00 C ATOM 1076 CG LEU A 77 5.494 1.401 3.444 1.00 0.00 C ATOM 1077 CD1 LEU A 77 6.693 0.840 4.193 1.00 0.00 C ATOM 1078 CD2 LEU A 77 4.755 2.418 4.301 1.00 0.00 C ATOM 0 H LEU A 77 8.400 2.101 2.103 1.00 0.00 H new ATOM 0 HA LEU A 77 6.554 0.086 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.512 2.932 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.046 2.354 1.579 1.00 0.00 H new ATOM 0 HG LEU A 77 4.814 0.578 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.360 0.393 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.181 0.081 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.398 1.644 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.448 1.951 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.413 3.260 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.874 2.772 3.766 1.00 0.00 H new ATOM 1090 N GLY A 78 5.427 0.600 -0.733 1.00 0.00 N ATOM 1091 CA GLY A 78 4.993 0.745 -2.110 1.00 0.00 C ATOM 1092 C GLY A 78 3.520 0.433 -2.294 1.00 0.00 C ATOM 1093 O GLY A 78 2.959 -0.397 -1.579 1.00 0.00 O ATOM 0 H GLY A 78 4.935 -0.119 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.189 1.764 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.583 0.083 -2.744 1.00 0.00 H new ATOM 1097 N TYR A 79 2.893 1.101 -3.258 1.00 0.00 N ATOM 1098 CA TYR A 79 1.477 0.893 -3.541 1.00 0.00 C ATOM 1099 C TYR A 79 1.299 0.095 -4.827 1.00 0.00 C ATOM 1100 O TYR A 79 1.814 0.476 -5.879 1.00 0.00 O ATOM 1101 CB TYR A 79 0.754 2.236 -3.655 1.00 0.00 C ATOM 1102 CG TYR A 79 0.824 3.073 -2.398 1.00 0.00 C ATOM 1103 CD1 TYR A 79 2.020 3.656 -1.997 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.303 3.280 -1.614 1.00 0.00 C ATOM 1105 CE1 TYR A 79 2.089 4.422 -0.848 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -0.242 4.045 -0.464 1.00 0.00 C ATOM 1107 CZ TYR A 79 0.956 4.614 -0.085 1.00 0.00 C ATOM 1108 OH TYR A 79 1.022 5.374 1.058 1.00 0.00 O ATOM 0 H TYR A 79 3.344 1.792 -3.857 1.00 0.00 H new ATOM 0 HA TYR A 79 1.043 0.327 -2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.185 2.801 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.292 2.056 -3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.909 3.509 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.243 2.836 -1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.026 4.868 -0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.128 4.196 0.135 1.00 0.00 H new ATOM 0 HH TYR A 79 1.717 6.058 0.957 1.00 0.00 H new ATOM 1118 N PHE A 80 0.572 -1.016 -4.743 1.00 0.00 N ATOM 1119 CA PHE A 80 0.343 -1.858 -5.911 1.00 0.00 C ATOM 1120 C PHE A 80 -0.883 -2.752 -5.731 1.00 0.00 C ATOM 1121 O PHE A 80 -1.300 -3.036 -4.608 1.00 0.00 O ATOM 1122 CB PHE A 80 1.577 -2.717 -6.187 1.00 0.00 C ATOM 1123 CG PHE A 80 2.120 -3.396 -4.961 1.00 0.00 C ATOM 1124 CD1 PHE A 80 1.560 -4.578 -4.505 1.00 0.00 C ATOM 1125 CD2 PHE A 80 3.188 -2.852 -4.266 1.00 0.00 C ATOM 1126 CE1 PHE A 80 2.056 -5.205 -3.377 1.00 0.00 C ATOM 1127 CE2 PHE A 80 3.688 -3.474 -3.139 1.00 0.00 C ATOM 1128 CZ PHE A 80 3.121 -4.652 -2.693 1.00 0.00 C ATOM 0 H PHE A 80 0.135 -1.351 -3.885 1.00 0.00 H new ATOM 0 HA PHE A 80 0.156 -1.202 -6.761 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.325 -3.473 -6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.356 -2.091 -6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.727 -5.014 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.635 -1.931 -4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.611 -6.126 -3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.522 -3.040 -2.607 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.510 -5.140 -1.811 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.470 -3.212 -6.851 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.649 -4.084 -6.836 1.00 0.00 C ATOM 1140 C PRO A 81 -2.441 -5.325 -5.975 1.00 0.00 C ATOM 1141 O PRO A 81 -1.441 -6.030 -6.117 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.840 -4.478 -8.310 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.578 -4.077 -8.999 1.00 0.00 C ATOM 1144 CD PRO A 81 -1.029 -2.920 -8.221 1.00 0.00 C ATOM 0 HA PRO A 81 -3.515 -3.579 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.018 -5.549 -8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.702 -3.970 -8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.867 -4.903 -9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.772 -3.794 -10.034 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.057 -2.863 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.423 -1.969 -8.579 1.00 0.00 H new ATOM 1152 N SER A 82 -3.391 -5.586 -5.085 1.00 0.00 N ATOM 1153 CA SER A 82 -3.314 -6.742 -4.200 1.00 0.00 C ATOM 1154 C SER A 82 -3.530 -8.046 -4.968 1.00 0.00 C ATOM 1155 O SER A 82 -3.225 -9.129 -4.469 1.00 0.00 O ATOM 1156 CB SER A 82 -4.351 -6.622 -3.081 1.00 0.00 C ATOM 1157 OG SER A 82 -5.660 -6.507 -3.609 1.00 0.00 O ATOM 0 H SER A 82 -4.224 -5.012 -4.957 1.00 0.00 H new ATOM 0 HA SER A 82 -2.314 -6.763 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.293 -7.496 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.126 -5.752 -2.465 1.00 0.00 H new ATOM 0 HG SER A 82 -6.304 -6.433 -2.874 1.00 0.00 H new ATOM 1163 N SER A 83 -4.065 -7.937 -6.182 1.00 0.00 N ATOM 1164 CA SER A 83 -4.327 -9.105 -7.013 1.00 0.00 C ATOM 1165 C SER A 83 -3.080 -9.974 -7.166 1.00 0.00 C ATOM 1166 O SER A 83 -3.179 -11.185 -7.366 1.00 0.00 O ATOM 1167 CB SER A 83 -4.829 -8.670 -8.392 1.00 0.00 C ATOM 1168 OG SER A 83 -4.993 -9.785 -9.251 1.00 0.00 O ATOM 0 H SER A 83 -4.325 -7.049 -6.611 1.00 0.00 H new ATOM 0 HA SER A 83 -5.095 -9.699 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.778 -8.145 -8.288 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.123 -7.967 -8.834 1.00 0.00 H new ATOM 0 HG SER A 83 -5.316 -9.480 -10.125 1.00 0.00 H new ATOM 1174 N ILE A 84 -1.910 -9.350 -7.081 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.652 -10.058 -7.219 1.00 0.00 C ATOM 1176 C ILE A 84 -0.123 -10.546 -5.868 1.00 0.00 C ATOM 1177 O ILE A 84 1.048 -10.902 -5.745 1.00 0.00 O ATOM 1178 CB ILE A 84 0.400 -9.153 -7.886 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.145 -8.580 -9.194 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.677 -9.926 -8.136 1.00 0.00 C ATOM 1181 CD1 ILE A 84 -1.020 -7.361 -9.004 1.00 0.00 C ATOM 0 H ILE A 84 -1.812 -8.348 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.838 -10.930 -7.846 1.00 0.00 H new ATOM 0 HB ILE A 84 0.624 -8.325 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.691 -8.319 -9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.718 -9.352 -9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.411 -9.273 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.073 -10.292 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.468 -10.771 -8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.370 -7.010 -9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.876 -7.621 -8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.445 -6.572 -8.519 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.989 -10.570 -4.859 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.599 -11.023 -3.528 1.00 0.00 C ATOM 1195 C VAL A 85 -1.739 -11.781 -2.854 1.00 0.00 C ATOM 1196 O VAL A 85 -2.890 -11.700 -3.284 1.00 0.00 O ATOM 1197 CB VAL A 85 -0.180 -9.847 -2.624 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.246 -9.414 -2.929 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -1.143 -8.680 -2.776 1.00 0.00 C ATOM 0 H VAL A 85 -1.964 -10.281 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 85 0.255 -11.687 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.218 -10.185 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.521 -8.583 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.925 -10.249 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.316 -9.099 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.828 -7.862 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.145 -8.343 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.147 -8.998 -2.496 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.413 -12.513 -1.795 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.407 -13.283 -1.058 1.00 0.00 C ATOM 1211 C ARG A 86 -2.284 -13.023 0.440 1.00 0.00 C ATOM 1212 O ARG A 86 -1.323 -13.453 1.078 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.243 -14.777 -1.342 1.00 0.00 C ATOM 1214 CG ARG A 86 -0.812 -15.270 -1.203 1.00 0.00 C ATOM 1215 CD ARG A 86 -0.762 -16.679 -0.634 1.00 0.00 C ATOM 1216 NE ARG A 86 -1.152 -17.681 -1.623 1.00 0.00 N ATOM 1217 CZ ARG A 86 -0.406 -18.013 -2.675 1.00 0.00 C ATOM 1218 NH1 ARG A 86 0.767 -17.427 -2.876 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -0.836 -18.934 -3.527 1.00 0.00 N ATOM 0 H ARG A 86 -0.465 -12.589 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.396 -12.967 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.880 -15.340 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.594 -14.987 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.323 -15.252 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.254 -14.594 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.247 -16.892 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.423 -16.745 0.230 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.048 -18.154 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.102 -16.718 -2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.334 -17.685 -3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.737 -19.387 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.265 -19.189 -4.333 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.260 -12.311 0.994 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.257 -11.987 2.415 1.00 0.00 C ATOM 1235 C GLU A 87 -3.611 -13.206 3.258 1.00 0.00 C ATOM 1236 O GLU A 87 -4.702 -13.764 3.135 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.238 -10.850 2.704 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.071 -9.652 1.783 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.384 -8.948 1.500 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -5.921 -8.302 2.422 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -5.874 -9.046 0.356 1.00 0.00 O ATOM 0 H GLU A 87 -4.063 -11.948 0.480 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.250 -11.667 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.256 -11.228 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.110 -10.525 3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.374 -8.946 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.629 -9.980 0.842 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.685 -13.608 4.121 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.898 -14.756 4.993 1.00 0.00 C ATOM 1250 C ASP A 88 -3.116 -14.304 6.428 1.00 0.00 C ATOM 1251 O ASP A 88 -4.072 -14.714 7.086 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.705 -15.713 4.919 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.129 -17.167 4.945 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -2.474 -17.667 6.037 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.115 -17.809 3.873 1.00 0.00 O ATOM 0 H ASP A 88 -1.778 -13.155 4.235 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.791 -15.281 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.142 -15.518 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.034 -15.518 5.755 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.219 -13.456 6.898 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.284 -12.930 8.244 1.00 0.00 C ATOM 1262 C GLN A 89 -2.855 -11.519 8.235 1.00 0.00 C ATOM 1263 O GLN A 89 -2.706 -10.790 7.256 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.882 -12.924 8.832 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.846 -12.774 10.344 1.00 0.00 C ATOM 1266 CD GLN A 89 0.187 -13.673 10.994 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -0.152 -14.673 11.625 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.458 -13.320 10.841 1.00 0.00 N ATOM 0 H GLN A 89 -1.426 -13.114 6.355 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.938 -13.556 8.851 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.380 -13.852 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.314 -12.109 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.630 -11.736 10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.830 -13.004 10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.694 -12.482 10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.198 -13.887 11.255 1.00 0.00 H new ATOM 1277 N THR A 90 -3.510 -11.132 9.322 1.00 0.00 N ATOM 1278 CA THR A 90 -4.093 -9.801 9.411 1.00 0.00 C ATOM 1279 C THR A 90 -3.869 -9.179 10.779 1.00 0.00 C ATOM 1280 O THR A 90 -3.786 -9.874 11.792 1.00 0.00 O ATOM 1281 CB THR A 90 -5.584 -9.834 9.098 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.189 -10.996 9.634 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.886 -9.791 7.618 1.00 0.00 C ATOM 0 H THR A 90 -3.650 -11.715 10.147 1.00 0.00 H new ATOM 0 HA THR A 90 -3.588 -9.184 8.668 1.00 0.00 H new ATOM 0 HB THR A 90 -5.993 -8.935 9.559 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.146 -10.994 9.422 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.965 -9.818 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.482 -8.873 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.429 -10.651 7.128 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.774 -7.856 10.792 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.560 -7.111 12.023 1.00 0.00 C ATOM 1293 C LEU A 91 -4.070 -5.680 11.879 1.00 0.00 C ATOM 1294 O LEU A 91 -3.444 -4.737 12.359 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.073 -7.104 12.384 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.770 -7.193 13.882 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.287 -7.437 14.114 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.221 -5.926 14.592 1.00 0.00 C ATOM 0 H LEU A 91 -3.843 -7.274 9.957 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.117 -7.599 12.823 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.588 -7.940 11.880 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.624 -6.192 11.991 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.324 -8.035 14.296 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.091 -7.497 15.185 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.007 -8.373 13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.288 -6.616 13.686 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.998 -6.006 15.656 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.694 -5.068 14.175 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.294 -5.795 14.455 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.209 -5.527 11.205 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.799 -4.208 10.993 1.00 0.00 C ATOM 1312 C LYS A 92 -6.819 -3.870 12.080 1.00 0.00 C ATOM 1313 O LYS A 92 -7.936 -4.387 12.073 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.477 -4.135 9.620 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.254 -5.389 9.250 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.106 -5.171 8.010 1.00 0.00 C ATOM 1317 CE LYS A 92 -9.503 -4.695 8.371 1.00 0.00 C ATOM 1318 NZ LYS A 92 -10.072 -3.799 7.326 1.00 0.00 N ATOM 0 H LYS A 92 -5.739 -6.298 10.798 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.989 -3.480 11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.155 -3.282 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.718 -3.952 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.559 -6.211 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.892 -5.682 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.626 -4.437 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.172 -6.101 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.157 -5.557 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.472 -4.167 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.774 -3.165 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.310 -3.233 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.530 -4.372 6.589 1.00 0.00 H new ATOM 1332 N PRO A 93 -6.453 -2.986 13.028 1.00 0.00 N ATOM 1333 CA PRO A 93 -7.351 -2.578 14.111 1.00 0.00 C ATOM 1334 C PRO A 93 -8.404 -1.582 13.636 1.00 0.00 C ATOM 1335 O PRO A 93 -9.544 -1.598 14.103 1.00 0.00 O ATOM 1336 CB PRO A 93 -6.404 -1.917 15.110 1.00 0.00 C ATOM 1337 CG PRO A 93 -5.314 -1.353 14.267 1.00 0.00 C ATOM 1338 CD PRO A 93 -5.143 -2.308 13.115 1.00 0.00 C ATOM 0 HA PRO A 93 -7.914 -3.416 14.522 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.909 -1.138 15.681 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.017 -2.639 15.829 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.572 -0.355 13.912 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.389 -1.259 14.836 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.901 -1.782 12.191 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.336 -3.017 13.299 1.00 0.00 H new ATOM 1346 N GLY A 94 -8.013 -0.718 12.704 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.931 0.275 12.176 1.00 0.00 C ATOM 1348 C GLY A 94 -9.011 0.244 10.660 1.00 0.00 C ATOM 1349 O GLY A 94 -8.140 -0.318 9.997 1.00 0.00 O ATOM 0 H GLY A 94 -7.075 -0.688 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.924 0.105 12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.615 1.266 12.500 1.00 0.00 H new ATOM 1353 N LYS A 95 -10.053 0.859 10.112 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.245 0.915 8.680 1.00 0.00 C ATOM 1355 C LYS A 95 -11.021 2.170 8.304 1.00 0.00 C ATOM 1356 O LYS A 95 -12.032 2.102 7.604 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.970 -0.335 8.180 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.364 -0.503 8.762 1.00 0.00 C ATOM 1359 CD LYS A 95 -12.605 -1.928 9.236 1.00 0.00 C ATOM 1360 CE LYS A 95 -13.937 -2.056 9.959 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.007 -2.576 9.064 1.00 0.00 N ATOM 0 H LYS A 95 -10.781 1.328 10.650 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.267 0.952 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.042 -0.293 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.374 -1.214 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.496 0.186 9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.107 -0.239 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.587 -2.605 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.797 -2.233 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.823 -2.722 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.233 -1.083 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.899 -2.648 9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.134 -1.927 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.737 -3.516 8.710 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.544 3.313 8.774 1.00 0.00 N ATOM 1376 CA VAL A 96 -11.195 4.584 8.492 1.00 0.00 C ATOM 1377 C VAL A 96 -10.520 5.264 7.321 1.00 0.00 C ATOM 1378 O VAL A 96 -9.294 5.324 7.251 1.00 0.00 O ATOM 1379 CB VAL A 96 -11.171 5.533 9.705 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -12.265 6.583 9.580 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -11.316 4.756 11.005 1.00 0.00 C ATOM 0 H VAL A 96 -9.708 3.387 9.353 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.236 4.364 8.255 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.207 6.041 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.234 7.245 10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.109 7.165 8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.237 6.092 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.296 5.448 11.847 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.262 4.215 11.002 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.493 4.047 11.099 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.322 5.760 6.395 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.792 6.418 5.215 1.00 0.00 C ATOM 1393 C ASP A 97 -10.196 7.774 5.551 1.00 0.00 C ATOM 1394 O ASP A 97 -10.886 8.670 6.037 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.879 6.568 4.149 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.340 7.135 2.851 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.181 6.823 2.503 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.077 7.888 2.181 1.00 0.00 O ATOM 0 H ASP A 97 -12.340 5.720 6.438 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.993 5.790 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.333 5.596 3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.668 7.219 4.527 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.905 7.914 5.281 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.198 9.165 5.545 1.00 0.00 C ATOM 1405 C VAL A 98 -7.985 9.952 4.259 1.00 0.00 C ATOM 1406 O VAL A 98 -7.189 9.562 3.405 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.832 8.925 6.217 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.418 10.140 7.032 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.875 7.682 7.086 1.00 0.00 C ATOM 0 H VAL A 98 -8.324 7.178 4.879 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.826 9.738 6.227 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.087 8.768 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.451 9.952 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.342 11.008 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.163 10.331 7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.901 7.530 7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.632 7.805 7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.122 6.817 6.471 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.701 11.061 4.129 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.596 11.906 2.945 1.00 0.00 C ATOM 1421 C LYS A 99 -7.283 12.684 2.940 1.00 0.00 C ATOM 1422 O LYS A 99 -7.208 13.799 3.456 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.776 12.878 2.878 1.00 0.00 C ATOM 1424 CG LYS A 99 -10.035 13.613 4.184 1.00 0.00 C ATOM 1425 CD LYS A 99 -10.056 15.120 3.982 1.00 0.00 C ATOM 1426 CE LYS A 99 -11.191 15.544 3.064 1.00 0.00 C ATOM 1427 NZ LYS A 99 -11.793 16.840 3.485 1.00 0.00 N ATOM 0 H LYS A 99 -9.362 11.397 4.829 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.616 11.258 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.590 13.608 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.674 12.328 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.987 13.288 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.263 13.353 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.163 15.616 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.105 15.445 3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.819 15.632 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.960 14.772 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.563 17.093 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.171 16.750 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.065 17.583 3.467 1.00 0.00 H new ATOM 1441 N THR A 100 -6.251 12.087 2.352 1.00 0.00 N ATOM 1442 CA THR A 100 -4.941 12.722 2.277 1.00 0.00 C ATOM 1443 C THR A 100 -4.905 13.764 1.161 1.00 0.00 C ATOM 1444 O THR A 100 -5.777 13.787 0.292 1.00 0.00 O ATOM 1445 CB THR A 100 -3.860 11.663 2.047 1.00 0.00 C ATOM 1446 OG1 THR A 100 -2.568 12.213 2.239 1.00 0.00 O ATOM 1447 CG2 THR A 100 -3.897 11.051 0.661 1.00 0.00 C ATOM 0 H THR A 100 -6.297 11.164 1.920 1.00 0.00 H new ATOM 0 HA THR A 100 -4.749 13.229 3.222 1.00 0.00 H new ATOM 0 HB THR A 100 -4.070 10.880 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.892 11.520 2.089 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.103 10.309 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.862 10.571 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.752 11.832 -0.086 1.00 0.00 H new ATOM 1455 N ASP A 101 -3.892 14.625 1.192 1.00 0.00 N ATOM 1456 CA ASP A 101 -3.748 15.667 0.181 1.00 0.00 C ATOM 1457 C ASP A 101 -2.399 16.369 0.308 1.00 0.00 C ATOM 1458 O ASP A 101 -1.773 16.344 1.366 1.00 0.00 O ATOM 1459 CB ASP A 101 -4.883 16.686 0.304 1.00 0.00 C ATOM 1460 CG ASP A 101 -5.510 17.017 -1.037 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -6.460 16.313 -1.439 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -5.051 17.982 -1.684 1.00 0.00 O ATOM 0 H ASP A 101 -3.161 14.622 1.904 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.798 15.195 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.649 16.294 0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.500 17.600 0.758 1.00 0.00 H new ATOM 1467 N LYS A 102 -1.962 16.997 -0.781 1.00 0.00 N ATOM 1468 CA LYS A 102 -0.688 17.712 -0.801 1.00 0.00 C ATOM 1469 C LYS A 102 0.487 16.745 -0.691 1.00 0.00 C ATOM 1470 O LYS A 102 1.250 16.571 -1.642 1.00 0.00 O ATOM 1471 CB LYS A 102 -0.630 18.737 0.336 1.00 0.00 C ATOM 1472 CG LYS A 102 0.537 19.704 0.225 1.00 0.00 C ATOM 1473 CD LYS A 102 0.581 20.664 1.404 1.00 0.00 C ATOM 1474 CE LYS A 102 0.014 22.027 1.038 1.00 0.00 C ATOM 1475 NZ LYS A 102 -1.229 22.333 1.799 1.00 0.00 N ATOM 0 H LYS A 102 -2.473 17.025 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.614 18.235 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.561 19.304 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.564 18.209 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.471 19.144 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.455 20.270 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.015 20.245 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.611 20.777 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.760 22.796 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.198 22.057 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.584 23.270 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.950 21.613 1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.022 22.329 2.818 1.00 0.00 H new ATOM 1489 N TRP A 103 0.632 16.123 0.474 1.00 0.00 N ATOM 1490 CA TRP A 103 1.716 15.178 0.711 1.00 0.00 C ATOM 1491 C TRP A 103 1.730 14.056 -0.324 1.00 0.00 C ATOM 1492 O TRP A 103 2.752 13.401 -0.528 1.00 0.00 O ATOM 1493 CB TRP A 103 1.602 14.601 2.110 1.00 0.00 C ATOM 1494 CG TRP A 103 2.445 15.352 3.062 1.00 0.00 C ATOM 1495 CD1 TRP A 103 2.025 16.106 4.105 1.00 0.00 C ATOM 1496 CD2 TRP A 103 3.870 15.454 3.036 1.00 0.00 C ATOM 1497 NE1 TRP A 103 3.099 16.657 4.731 1.00 0.00 N ATOM 1498 CE2 TRP A 103 4.233 16.274 4.105 1.00 0.00 C ATOM 1499 CE3 TRP A 103 4.872 14.927 2.220 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 5.538 16.592 4.397 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 6.190 15.243 2.506 1.00 0.00 C ATOM 1502 CH2 TRP A 103 6.514 16.071 3.592 1.00 0.00 C ATOM 0 H TRP A 103 0.010 16.257 1.271 1.00 0.00 H new ATOM 0 HA TRP A 103 2.657 15.720 0.617 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.562 14.632 2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 103 1.902 13.553 2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 103 0.995 16.248 4.395 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.055 17.266 5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 103 4.626 14.288 1.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.784 17.231 5.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 6.979 14.847 1.885 1.00 0.00 H new ATOM 0 HH2 TRP A 103 7.550 16.300 3.795 1.00 0.00 H new ATOM 1513 N ASP A 104 0.592 13.839 -0.973 1.00 0.00 N ATOM 1514 CA ASP A 104 0.472 12.794 -1.987 1.00 0.00 C ATOM 1515 C ASP A 104 1.601 12.886 -3.010 1.00 0.00 C ATOM 1516 O ASP A 104 2.145 11.870 -3.442 1.00 0.00 O ATOM 1517 CB ASP A 104 -0.881 12.895 -2.694 1.00 0.00 C ATOM 1518 CG ASP A 104 -1.161 11.698 -3.580 1.00 0.00 C ATOM 1519 OD1 ASP A 104 -0.712 10.585 -3.233 1.00 0.00 O ATOM 1520 OD2 ASP A 104 -1.831 11.872 -4.620 1.00 0.00 O ATOM 0 H ASP A 104 -0.263 14.373 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 104 0.544 11.829 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.671 12.985 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.906 13.803 -3.296 1.00 0.00 H new ATOM 1525 N PHE A 105 1.949 14.111 -3.394 1.00 0.00 N ATOM 1526 CA PHE A 105 3.015 14.333 -4.365 1.00 0.00 C ATOM 1527 C PHE A 105 2.689 13.660 -5.695 1.00 0.00 C ATOM 1528 O PHE A 105 1.720 12.909 -5.802 1.00 0.00 O ATOM 1529 CB PHE A 105 4.344 13.806 -3.824 1.00 0.00 C ATOM 1530 CG PHE A 105 5.509 14.709 -4.110 1.00 0.00 C ATOM 1531 CD1 PHE A 105 5.773 15.801 -3.298 1.00 0.00 C ATOM 1532 CD2 PHE A 105 6.341 14.467 -5.193 1.00 0.00 C ATOM 1533 CE1 PHE A 105 6.845 16.634 -3.560 1.00 0.00 C ATOM 1534 CE2 PHE A 105 7.413 15.298 -5.459 1.00 0.00 C ATOM 1535 CZ PHE A 105 7.665 16.381 -4.642 1.00 0.00 C ATOM 0 H PHE A 105 1.509 14.964 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 105 3.101 15.406 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.259 13.667 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 105 4.540 12.825 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.134 16.003 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.149 13.620 -5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.041 17.481 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.053 15.100 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.503 17.030 -4.849 1.00 0.00 H new ATOM 1545 N TYR A 106 3.506 13.935 -6.708 1.00 0.00 N ATOM 1546 CA TYR A 106 3.305 13.358 -8.032 1.00 0.00 C ATOM 1547 C TYR A 106 4.634 12.925 -8.644 1.00 0.00 C ATOM 1548 O TYR A 106 5.702 13.346 -8.197 1.00 0.00 O ATOM 1549 CB TYR A 106 2.612 14.367 -8.949 1.00 0.00 C ATOM 1550 CG TYR A 106 2.321 13.829 -10.332 1.00 0.00 C ATOM 1551 CD1 TYR A 106 1.450 12.762 -10.515 1.00 0.00 C ATOM 1552 CD2 TYR A 106 2.917 14.389 -11.455 1.00 0.00 C ATOM 1553 CE1 TYR A 106 1.182 12.268 -11.776 1.00 0.00 C ATOM 1554 CE2 TYR A 106 2.653 13.902 -12.720 1.00 0.00 C ATOM 1555 CZ TYR A 106 1.786 12.841 -12.876 1.00 0.00 C ATOM 1556 OH TYR A 106 1.522 12.352 -14.135 1.00 0.00 O ATOM 0 H TYR A 106 4.313 14.554 -6.636 1.00 0.00 H new ATOM 0 HA TYR A 106 2.671 12.478 -7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.677 14.682 -8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.239 15.254 -9.038 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.975 12.311 -9.656 1.00 0.00 H new ATOM 0 HD2 TYR A 106 3.598 15.219 -11.337 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.503 11.437 -11.901 1.00 0.00 H new ATOM 0 HE2 TYR A 106 3.123 14.350 -13.583 1.00 0.00 H new ATOM 0 HH TYR A 106 2.027 12.867 -14.799 1.00 0.00 H new ATOM 1566 N CYS A 107 4.562 12.084 -9.671 1.00 0.00 N ATOM 1567 CA CYS A 107 5.758 11.595 -10.347 1.00 0.00 C ATOM 1568 C CYS A 107 5.393 10.822 -11.610 1.00 0.00 C ATOM 1569 O CYS A 107 4.598 9.884 -11.567 1.00 0.00 O ATOM 1570 CB CYS A 107 6.576 10.707 -9.406 1.00 0.00 C ATOM 1571 SG CYS A 107 5.754 9.145 -8.954 1.00 0.00 S ATOM 0 H CYS A 107 3.687 11.727 -10.054 1.00 0.00 H new ATOM 0 HA CYS A 107 6.360 12.457 -10.634 1.00 0.00 H new ATOM 0 HB2 CYS A 107 7.531 10.479 -9.879 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.796 11.266 -8.496 1.00 0.00 H new ATOM 1576 N GLN A 108 5.980 11.221 -12.733 1.00 0.00 N ATOM 1577 CA GLN A 108 5.718 10.565 -14.009 1.00 0.00 C ATOM 1578 C GLN A 108 6.970 9.866 -14.529 1.00 0.00 C ATOM 1579 O GLN A 108 8.083 10.283 -14.144 1.00 0.00 O ATOM 1580 CB GLN A 108 5.222 11.583 -15.038 1.00 0.00 C ATOM 1581 CG GLN A 108 4.185 11.022 -15.997 1.00 0.00 C ATOM 1582 CD GLN A 108 4.805 10.204 -17.113 1.00 0.00 C ATOM 1583 OE1 GLN A 108 4.794 8.885 -16.956 1.00 0.00 O flip ATOM 1584 NE2 GLN A 108 5.286 10.750 -18.105 1.00 0.00 N flip ATOM 1585 OXT GLN A 108 6.827 8.908 -15.318 1.00 0.00 O ATOM 0 H GLN A 108 6.641 11.996 -12.786 1.00 0.00 H new ATOM 0 HA GLN A 108 4.944 9.814 -13.851 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.795 12.438 -14.514 1.00 0.00 H new ATOM 0 HB3 GLN A 108 6.073 11.952 -15.611 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.482 10.400 -15.443 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.613 11.843 -16.428 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.273 11.767 -18.184 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.698 10.186 -18.848 1.00 0.00 H new TER 1594 GLN A 108