USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 935 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 91 ASN : amide:sc= -3.79! K(o=-4.1!,f=0.13) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.327 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.816 K(o=-0.31,f=-1.8) USER MOD Set 2.2: A 62 ASN : amide:sc= -1.12! K(o=-0.31!,f=-2.1) USER MOD Set 3.1: A 55 TYR OH : rot 30:sc= 1.08 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 159:sc= 1.2 (180deg=-0.00667) USER MOD Single : A 12 SER OG : rot -94:sc= 1.3 USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.0269 (180deg=-0.208) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 1.47 (180deg=1.08) USER MOD Single : A 31 CYS SG : rot 51:sc= -0.496 USER MOD Single : A 33 THR OG1 : rot 82:sc= 0.951 USER MOD Single : A 34 THR OG1 : rot -82:sc= 1.17 USER MOD Single : A 36 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 39 CYS SG : rot 180:sc= 0.0745 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 72:sc= 0.845 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc=-0.000552 (180deg=-0.0646) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 1.73 (180deg=0.966) USER MOD Single : A 65 MET CE :methyl 135:sc= -0.756 (180deg=-4.05!) USER MOD Single : A 67 MET CE :methyl -178:sc= -1.25 (180deg=-1.25) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 2.43 (180deg=1.72) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 0.619 (180deg=0.526) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.288 X(o=-0.29,f=0.066) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -1:sc= -0.563 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00242 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 11.898 -0.077 8.706 1.00 0.00 N ATOM 51 CA GLY A 5 11.375 0.841 7.717 1.00 0.00 C ATOM 52 C GLY A 5 9.876 1.022 7.797 1.00 0.00 C ATOM 53 O GLY A 5 9.320 1.231 8.872 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.857 1.810 7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.637 0.480 6.723 1.00 0.00 H new ATOM 57 N ILE A 6 9.237 0.953 6.637 1.00 0.00 N ATOM 58 CA ILE A 6 7.799 1.161 6.514 1.00 0.00 C ATOM 59 C ILE A 6 7.016 0.182 7.383 1.00 0.00 C ATOM 60 O ILE A 6 7.171 -1.032 7.262 1.00 0.00 O ATOM 61 CB ILE A 6 7.341 1.006 5.046 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.106 1.978 4.145 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.841 1.233 4.927 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.784 1.833 2.672 1.00 0.00 C ATOM 0 H ILE A 6 9.702 0.751 5.752 1.00 0.00 H new ATOM 0 HA ILE A 6 7.596 2.177 6.854 1.00 0.00 H new ATOM 0 HB ILE A 6 7.559 -0.011 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.883 2.999 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.176 1.827 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.537 1.120 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.313 0.503 5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.597 2.239 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.365 2.556 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.033 0.824 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.721 2.014 2.512 1.00 0.00 H new ATOM 76 N ALA A 7 6.183 0.723 8.259 1.00 0.00 N ATOM 77 CA ALA A 7 5.341 -0.093 9.117 1.00 0.00 C ATOM 78 C ALA A 7 3.873 0.091 8.753 1.00 0.00 C ATOM 79 O ALA A 7 3.318 1.184 8.897 1.00 0.00 O ATOM 80 CB ALA A 7 5.578 0.255 10.579 1.00 0.00 C ATOM 0 H ALA A 7 6.073 1.728 8.394 1.00 0.00 H new ATOM 0 HA ALA A 7 5.603 -1.140 8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.940 -0.365 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.623 0.074 10.831 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.341 1.306 10.746 1.00 0.00 H new ATOM 86 N PHE A 8 3.255 -0.970 8.261 1.00 0.00 N ATOM 87 CA PHE A 8 1.851 -0.934 7.897 1.00 0.00 C ATOM 88 C PHE A 8 0.976 -1.186 9.118 1.00 0.00 C ATOM 89 O PHE A 8 1.341 -1.954 10.009 1.00 0.00 O ATOM 90 CB PHE A 8 1.558 -1.975 6.816 1.00 0.00 C ATOM 91 CG PHE A 8 2.164 -1.650 5.482 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.557 -0.733 4.640 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.334 -2.261 5.067 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.109 -0.429 3.411 1.00 0.00 C ATOM 95 CE2 PHE A 8 3.890 -1.961 3.839 1.00 0.00 C ATOM 96 CZ PHE A 8 3.277 -1.044 3.011 1.00 0.00 C ATOM 0 H PHE A 8 3.708 -1.871 8.104 1.00 0.00 H new ATOM 0 HA PHE A 8 1.622 0.057 7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.931 -2.944 7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.478 -2.071 6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.641 -0.250 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.818 -2.981 5.711 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.627 0.289 2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.804 -2.444 3.527 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.711 -0.808 2.051 1.00 0.00 H new ATOM 106 N ARG A 9 -0.175 -0.531 9.152 1.00 0.00 N ATOM 107 CA ARG A 9 -1.102 -0.665 10.266 1.00 0.00 C ATOM 108 C ARG A 9 -2.150 -1.727 9.955 1.00 0.00 C ATOM 109 O ARG A 9 -2.779 -1.693 8.895 1.00 0.00 O ATOM 110 CB ARG A 9 -1.802 0.670 10.542 1.00 0.00 C ATOM 111 CG ARG A 9 -0.856 1.848 10.719 1.00 0.00 C ATOM 112 CD ARG A 9 -1.633 3.135 10.931 1.00 0.00 C ATOM 113 NE ARG A 9 -0.776 4.321 10.926 1.00 0.00 N ATOM 114 CZ ARG A 9 -1.235 5.564 11.083 1.00 0.00 C ATOM 115 NH1 ARG A 9 -2.519 5.772 11.341 1.00 0.00 N ATOM 116 NH2 ARG A 9 -0.404 6.595 11.014 1.00 0.00 N ATOM 0 H ARG A 9 -0.490 0.102 8.417 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.535 -0.963 11.148 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.483 0.887 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.410 0.569 11.441 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.200 1.669 11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.218 1.943 9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.386 3.233 10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.165 3.081 11.881 1.00 0.00 H new ATOM 0 HE ARG A 9 0.227 4.190 10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.158 4.981 11.420 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.868 6.723 11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.589 6.439 10.840 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.758 7.544 11.134 1.00 0.00 H new ATOM 130 N GLU A 10 -2.329 -2.671 10.868 1.00 0.00 N ATOM 131 CA GLU A 10 -3.378 -3.671 10.731 1.00 0.00 C ATOM 132 C GLU A 10 -4.691 -3.074 11.234 1.00 0.00 C ATOM 133 O GLU A 10 -4.972 -3.072 12.437 1.00 0.00 O ATOM 134 CB GLU A 10 -3.018 -4.939 11.516 1.00 0.00 C ATOM 135 CG GLU A 10 -3.971 -6.111 11.299 1.00 0.00 C ATOM 136 CD GLU A 10 -3.847 -6.737 9.921 1.00 0.00 C ATOM 137 OE1 GLU A 10 -2.792 -7.342 9.630 1.00 0.00 O ATOM 138 OE2 GLU A 10 -4.816 -6.653 9.137 1.00 0.00 O ATOM 0 H GLU A 10 -1.762 -2.765 11.711 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.485 -3.952 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.011 -5.250 11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.995 -4.698 12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.778 -6.872 12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.996 -5.769 11.445 1.00 0.00 H new ATOM 145 N LEU A 11 -5.466 -2.529 10.310 1.00 0.00 N ATOM 146 CA LEU A 11 -6.696 -1.830 10.649 1.00 0.00 C ATOM 147 C LEU A 11 -7.774 -2.194 9.639 1.00 0.00 C ATOM 148 O LEU A 11 -7.480 -2.803 8.609 1.00 0.00 O ATOM 149 CB LEU A 11 -6.460 -0.311 10.642 1.00 0.00 C ATOM 150 CG LEU A 11 -7.411 0.517 11.506 1.00 0.00 C ATOM 151 CD1 LEU A 11 -7.324 0.088 12.962 1.00 0.00 C ATOM 152 CD2 LEU A 11 -7.086 1.998 11.369 1.00 0.00 C ATOM 0 H LEU A 11 -5.263 -2.558 9.311 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.018 -2.127 11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.439 -0.120 10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.533 0.044 9.614 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.431 0.347 11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.009 0.690 13.560 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.595 -0.964 13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.305 0.231 13.323 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.769 2.579 11.988 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.061 2.177 11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.195 2.300 10.327 1.00 0.00 H new ATOM 164 N SER A 12 -9.015 -1.845 9.933 1.00 0.00 N ATOM 165 CA SER A 12 -10.091 -2.086 8.994 1.00 0.00 C ATOM 166 C SER A 12 -10.154 -0.970 7.964 1.00 0.00 C ATOM 167 O SER A 12 -9.510 0.074 8.114 1.00 0.00 O ATOM 168 CB SER A 12 -11.433 -2.201 9.713 1.00 0.00 C ATOM 169 OG SER A 12 -11.724 -1.023 10.444 1.00 0.00 O ATOM 0 H SER A 12 -9.298 -1.399 10.805 1.00 0.00 H new ATOM 0 HA SER A 12 -9.888 -3.030 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.224 -2.386 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.415 -3.056 10.388 1.00 0.00 H new ATOM 0 HG SER A 12 -11.428 -1.132 11.372 1.00 0.00 H new ATOM 175 N PHE A 13 -10.939 -1.197 6.931 1.00 0.00 N ATOM 176 CA PHE A 13 -11.099 -0.228 5.854 1.00 0.00 C ATOM 177 C PHE A 13 -11.729 1.084 6.352 1.00 0.00 C ATOM 178 O PHE A 13 -11.162 2.157 6.133 1.00 0.00 O ATOM 179 CB PHE A 13 -11.932 -0.827 4.714 1.00 0.00 C ATOM 180 CG PHE A 13 -12.063 0.080 3.523 1.00 0.00 C ATOM 181 CD1 PHE A 13 -11.009 0.241 2.639 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.242 0.769 3.284 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.126 1.073 1.543 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.365 1.603 2.189 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.305 1.755 1.317 1.00 0.00 C ATOM 0 H PHE A 13 -11.483 -2.051 6.810 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.104 0.011 5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.477 -1.765 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.927 -1.066 5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.084 -0.291 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.075 0.653 3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.295 1.190 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.289 2.135 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.398 2.406 0.460 1.00 0.00 H new ATOM 195 N PRO A 14 -12.899 1.033 7.036 1.00 0.00 N ATOM 196 CA PRO A 14 -13.584 2.247 7.505 1.00 0.00 C ATOM 197 C PRO A 14 -12.738 3.056 8.488 1.00 0.00 C ATOM 198 O PRO A 14 -12.715 4.286 8.428 1.00 0.00 O ATOM 199 CB PRO A 14 -14.853 1.720 8.188 1.00 0.00 C ATOM 200 CG PRO A 14 -14.573 0.287 8.483 1.00 0.00 C ATOM 201 CD PRO A 14 -13.645 -0.186 7.403 1.00 0.00 C ATOM 0 HA PRO A 14 -13.790 2.931 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.068 2.275 9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.722 1.826 7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.117 0.173 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.493 -0.297 8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.980 -0.972 7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.192 -0.594 6.553 1.00 0.00 H new ATOM 209 N GLU A 15 -12.033 2.359 9.376 1.00 0.00 N ATOM 210 CA GLU A 15 -11.179 3.008 10.363 1.00 0.00 C ATOM 211 C GLU A 15 -10.046 3.774 9.697 1.00 0.00 C ATOM 212 O GLU A 15 -9.874 4.970 9.934 1.00 0.00 O ATOM 213 CB GLU A 15 -10.607 1.972 11.325 1.00 0.00 C ATOM 214 CG GLU A 15 -11.609 1.483 12.357 1.00 0.00 C ATOM 215 CD GLU A 15 -11.012 0.473 13.311 1.00 0.00 C ATOM 216 OE1 GLU A 15 -10.763 -0.676 12.887 1.00 0.00 O ATOM 217 OE2 GLU A 15 -10.793 0.820 14.492 1.00 0.00 O ATOM 0 H GLU A 15 -12.038 1.340 9.431 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.791 3.719 10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.242 1.119 10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.748 2.402 11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.987 2.334 12.924 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.462 1.036 11.847 1.00 0.00 H new ATOM 224 N ALA A 16 -9.277 3.084 8.857 1.00 0.00 N ATOM 225 CA ALA A 16 -8.173 3.714 8.144 1.00 0.00 C ATOM 226 C ALA A 16 -8.666 4.879 7.287 1.00 0.00 C ATOM 227 O ALA A 16 -8.028 5.931 7.231 1.00 0.00 O ATOM 228 CB ALA A 16 -7.443 2.692 7.287 1.00 0.00 C ATOM 0 H ALA A 16 -9.399 2.092 8.655 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.476 4.111 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.621 3.178 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.048 1.900 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.135 2.264 6.562 1.00 0.00 H new ATOM 234 N LEU A 17 -9.809 4.683 6.632 1.00 0.00 N ATOM 235 CA LEU A 17 -10.423 5.726 5.811 1.00 0.00 C ATOM 236 C LEU A 17 -10.700 6.969 6.646 1.00 0.00 C ATOM 237 O LEU A 17 -10.329 8.082 6.274 1.00 0.00 O ATOM 238 CB LEU A 17 -11.730 5.213 5.211 1.00 0.00 C ATOM 239 CG LEU A 17 -12.380 6.131 4.173 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.494 6.273 2.944 1.00 0.00 C ATOM 241 CD2 LEU A 17 -13.755 5.610 3.784 1.00 0.00 C ATOM 0 H LEU A 17 -10.331 3.807 6.654 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.732 5.986 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.542 4.244 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.441 5.047 6.020 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.500 7.118 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.977 6.930 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.533 6.698 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.336 5.293 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.201 6.276 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.659 4.610 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.392 5.570 4.667 1.00 0.00 H new ATOM 253 N LYS A 18 -11.350 6.754 7.782 1.00 0.00 N ATOM 254 CA LYS A 18 -11.661 7.829 8.720 1.00 0.00 C ATOM 255 C LYS A 18 -10.387 8.554 9.153 1.00 0.00 C ATOM 256 O LYS A 18 -10.350 9.785 9.211 1.00 0.00 O ATOM 257 CB LYS A 18 -12.393 7.257 9.941 1.00 0.00 C ATOM 258 CG LYS A 18 -12.730 8.286 11.009 1.00 0.00 C ATOM 259 CD LYS A 18 -13.577 9.418 10.451 1.00 0.00 C ATOM 260 CE LYS A 18 -14.089 10.333 11.551 1.00 0.00 C ATOM 261 NZ LYS A 18 -15.080 9.649 12.428 1.00 0.00 N ATOM 0 H LYS A 18 -11.676 5.835 8.080 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.309 8.551 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.316 6.782 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.776 6.477 10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.264 7.801 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.809 8.692 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.987 9.998 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.421 9.003 9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.250 10.680 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.548 11.215 11.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.589 10.357 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.758 9.123 11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.586 8.989 13.062 1.00 0.00 H new ATOM 275 N ARG A 19 -9.344 7.782 9.437 1.00 0.00 N ATOM 276 CA ARG A 19 -8.061 8.336 9.842 1.00 0.00 C ATOM 277 C ARG A 19 -7.498 9.271 8.782 1.00 0.00 C ATOM 278 O ARG A 19 -7.103 10.391 9.086 1.00 0.00 O ATOM 279 CB ARG A 19 -7.064 7.213 10.127 1.00 0.00 C ATOM 280 CG ARG A 19 -7.321 6.498 11.442 1.00 0.00 C ATOM 281 CD ARG A 19 -7.164 7.447 12.617 1.00 0.00 C ATOM 282 NE ARG A 19 -7.435 6.796 13.894 1.00 0.00 N ATOM 283 CZ ARG A 19 -6.885 7.166 15.047 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.989 8.149 15.077 1.00 0.00 N ATOM 285 NH2 ARG A 19 -7.229 6.552 16.171 1.00 0.00 N ATOM 0 H ARG A 19 -9.365 6.763 9.393 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.223 8.914 10.752 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.103 6.488 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.056 7.626 10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.327 6.078 11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.627 5.664 11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.151 7.848 12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.841 8.292 12.492 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.085 6.010 13.903 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.722 8.622 14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.570 8.430 15.963 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.915 5.797 16.150 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.808 6.835 17.056 1.00 0.00 H new ATOM 299 N ALA A 20 -7.481 8.819 7.537 1.00 0.00 N ATOM 300 CA ALA A 20 -6.943 9.623 6.447 1.00 0.00 C ATOM 301 C ALA A 20 -7.798 10.859 6.195 1.00 0.00 C ATOM 302 O ALA A 20 -7.292 11.898 5.777 1.00 0.00 O ATOM 303 CB ALA A 20 -6.832 8.792 5.187 1.00 0.00 C ATOM 0 H ALA A 20 -7.832 7.903 7.256 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.948 9.959 6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.429 9.405 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.168 7.946 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.819 8.425 4.905 1.00 0.00 H new ATOM 309 N GLU A 21 -9.092 10.736 6.451 1.00 0.00 N ATOM 310 CA GLU A 21 -10.017 11.850 6.298 1.00 0.00 C ATOM 311 C GLU A 21 -9.678 12.968 7.282 1.00 0.00 C ATOM 312 O GLU A 21 -9.612 14.142 6.914 1.00 0.00 O ATOM 313 CB GLU A 21 -11.455 11.370 6.520 1.00 0.00 C ATOM 314 CG GLU A 21 -12.503 12.459 6.359 1.00 0.00 C ATOM 315 CD GLU A 21 -12.584 12.993 4.944 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.780 13.874 4.587 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.462 12.534 4.185 1.00 0.00 O ATOM 0 H GLU A 21 -9.528 9.870 6.768 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.925 12.242 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.671 10.566 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.536 10.948 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.477 12.065 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.275 13.279 7.039 1.00 0.00 H new ATOM 324 N VAL A 22 -9.454 12.592 8.535 1.00 0.00 N ATOM 325 CA VAL A 22 -9.168 13.562 9.585 1.00 0.00 C ATOM 326 C VAL A 22 -7.721 14.050 9.512 1.00 0.00 C ATOM 327 O VAL A 22 -7.440 15.233 9.710 1.00 0.00 O ATOM 328 CB VAL A 22 -9.435 12.967 10.985 1.00 0.00 C ATOM 329 CG1 VAL A 22 -9.168 13.995 12.075 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.861 12.448 11.081 1.00 0.00 C ATOM 0 H VAL A 22 -9.465 11.622 8.849 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.836 14.408 9.425 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.750 12.132 11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.364 13.550 13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.128 14.317 12.025 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.821 14.856 11.931 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.031 12.032 12.074 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.559 13.267 10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.017 11.672 10.332 1.00 0.00 H new ATOM 340 N GLU A 23 -6.806 13.137 9.213 1.00 0.00 N ATOM 341 CA GLU A 23 -5.384 13.458 9.183 1.00 0.00 C ATOM 342 C GLU A 23 -4.985 14.034 7.819 1.00 0.00 C ATOM 343 O GLU A 23 -3.821 14.367 7.585 1.00 0.00 O ATOM 344 CB GLU A 23 -4.571 12.209 9.529 1.00 0.00 C ATOM 345 CG GLU A 23 -3.156 12.500 9.996 1.00 0.00 C ATOM 346 CD GLU A 23 -2.517 11.311 10.683 1.00 0.00 C ATOM 347 OE1 GLU A 23 -2.070 10.385 9.981 1.00 0.00 O ATOM 348 OE2 GLU A 23 -2.460 11.296 11.932 1.00 0.00 O ATOM 0 H GLU A 23 -7.023 12.166 8.987 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.171 14.224 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.092 11.654 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.527 11.563 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.547 12.792 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.170 13.348 10.681 1.00 0.00 H new ATOM 355 N ASP A 24 -5.973 14.136 6.928 1.00 0.00 N ATOM 356 CA ASP A 24 -5.830 14.852 5.655 1.00 0.00 C ATOM 357 C ASP A 24 -4.748 14.233 4.768 1.00 0.00 C ATOM 358 O ASP A 24 -3.848 14.924 4.282 1.00 0.00 O ATOM 359 CB ASP A 24 -5.523 16.332 5.921 1.00 0.00 C ATOM 360 CG ASP A 24 -5.684 17.199 4.690 1.00 0.00 C ATOM 361 OD1 ASP A 24 -6.832 17.360 4.223 1.00 0.00 O ATOM 362 OD2 ASP A 24 -4.671 17.745 4.197 1.00 0.00 O ATOM 0 H ASP A 24 -6.896 13.725 7.067 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.774 14.768 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.184 16.699 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.503 16.425 6.293 1.00 0.00 H new ATOM 367 N LYS A 25 -4.842 12.929 4.549 1.00 0.00 N ATOM 368 CA LYS A 25 -3.877 12.228 3.709 1.00 0.00 C ATOM 369 C LYS A 25 -4.552 11.117 2.918 1.00 0.00 C ATOM 370 O LYS A 25 -5.765 10.929 3.014 1.00 0.00 O ATOM 371 CB LYS A 25 -2.727 11.667 4.552 1.00 0.00 C ATOM 372 CG LYS A 25 -1.834 12.750 5.135 1.00 0.00 C ATOM 373 CD LYS A 25 -0.713 12.174 5.974 1.00 0.00 C ATOM 374 CE LYS A 25 -1.241 11.456 7.202 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.144 10.958 8.069 1.00 0.00 N ATOM 0 H LYS A 25 -5.574 12.335 4.939 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.463 12.947 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.138 11.067 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.124 11.000 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.411 13.345 4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.434 13.424 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.127 11.480 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.041 12.975 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.876 12.133 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.866 10.619 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.521 10.255 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.591 10.517 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.267 11.752 8.599 1.00 0.00 H new ATOM 389 N LEU A 26 -3.765 10.389 2.136 1.00 0.00 N ATOM 390 CA LEU A 26 -4.303 9.352 1.263 1.00 0.00 C ATOM 391 C LEU A 26 -4.109 7.967 1.870 1.00 0.00 C ATOM 392 O LEU A 26 -3.231 7.761 2.713 1.00 0.00 O ATOM 393 CB LEU A 26 -3.649 9.400 -0.128 1.00 0.00 C ATOM 394 CG LEU A 26 -3.974 10.628 -0.991 1.00 0.00 C ATOM 395 CD1 LEU A 26 -5.470 10.905 -0.995 1.00 0.00 C ATOM 396 CD2 LEU A 26 -3.199 11.851 -0.522 1.00 0.00 C ATOM 0 H LEU A 26 -2.752 10.497 2.088 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.371 9.545 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.568 9.349 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.948 8.507 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.665 10.409 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.677 11.779 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.999 10.042 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.808 11.093 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.450 12.704 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.462 12.074 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.129 11.652 -0.590 1.00 0.00 H new ATOM 408 N LEU A 27 -4.930 7.025 1.428 1.00 0.00 N ATOM 409 CA LEU A 27 -4.850 5.649 1.893 1.00 0.00 C ATOM 410 C LEU A 27 -3.926 4.840 1.003 1.00 0.00 C ATOM 411 O LEU A 27 -4.172 4.706 -0.197 1.00 0.00 O ATOM 412 CB LEU A 27 -6.231 4.975 1.898 1.00 0.00 C ATOM 413 CG LEU A 27 -7.221 5.441 2.968 1.00 0.00 C ATOM 414 CD1 LEU A 27 -6.565 5.443 4.339 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.795 6.807 2.623 1.00 0.00 C ATOM 0 H LEU A 27 -5.666 7.192 0.741 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.462 5.678 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.689 5.130 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.085 3.901 2.015 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.052 4.736 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.285 5.777 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.230 4.435 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.709 6.118 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.495 7.114 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.986 7.535 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.315 6.752 1.667 1.00 0.00 H new ATOM 427 N PHE A 28 -2.865 4.309 1.585 1.00 0.00 N ATOM 428 CA PHE A 28 -2.019 3.365 0.887 1.00 0.00 C ATOM 429 C PHE A 28 -2.285 1.976 1.436 1.00 0.00 C ATOM 430 O PHE A 28 -1.821 1.626 2.525 1.00 0.00 O ATOM 431 CB PHE A 28 -0.540 3.725 1.037 1.00 0.00 C ATOM 432 CG PHE A 28 0.369 2.803 0.275 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.626 3.022 -1.069 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.958 1.715 0.897 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.456 2.174 -1.775 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.788 0.864 0.195 1.00 0.00 C ATOM 437 CZ PHE A 28 2.038 1.095 -1.142 1.00 0.00 C ATOM 0 H PHE A 28 -2.571 4.517 2.539 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.253 3.396 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.384 4.747 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.271 3.700 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.172 3.865 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.766 1.530 1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.650 2.355 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.241 0.019 0.692 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.689 0.432 -1.693 1.00 0.00 H new ATOM 447 N VAL A 29 -3.058 1.202 0.702 1.00 0.00 N ATOM 448 CA VAL A 29 -3.438 -0.122 1.149 1.00 0.00 C ATOM 449 C VAL A 29 -2.530 -1.175 0.530 1.00 0.00 C ATOM 450 O VAL A 29 -2.558 -1.405 -0.684 1.00 0.00 O ATOM 451 CB VAL A 29 -4.910 -0.439 0.804 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.336 -1.765 1.417 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.827 0.686 1.270 1.00 0.00 C ATOM 0 H VAL A 29 -3.436 1.467 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.330 -0.142 2.233 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.993 -0.523 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.376 -1.967 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.705 -2.565 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.233 -1.715 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.859 0.443 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.736 0.806 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.542 1.615 0.777 1.00 0.00 H new ATOM 463 N ASP A 30 -1.718 -1.794 1.371 1.00 0.00 N ATOM 464 CA ASP A 30 -0.831 -2.868 0.947 1.00 0.00 C ATOM 465 C ASP A 30 -1.618 -4.160 0.841 1.00 0.00 C ATOM 466 O ASP A 30 -1.902 -4.812 1.848 1.00 0.00 O ATOM 467 CB ASP A 30 0.327 -3.030 1.941 1.00 0.00 C ATOM 468 CG ASP A 30 1.227 -4.217 1.630 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.633 -4.370 0.459 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.549 -4.983 2.569 1.00 0.00 O ATOM 0 H ASP A 30 -1.654 -1.568 2.364 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.412 -2.621 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.926 -2.119 1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.079 -3.145 2.946 1.00 0.00 H new ATOM 475 N CYS A 31 -2.023 -4.489 -0.376 1.00 0.00 N ATOM 476 CA CYS A 31 -2.764 -5.709 -0.619 1.00 0.00 C ATOM 477 C CYS A 31 -1.812 -6.780 -1.120 1.00 0.00 C ATOM 478 O CYS A 31 -1.285 -6.689 -2.229 1.00 0.00 O ATOM 479 CB CYS A 31 -3.874 -5.466 -1.645 1.00 0.00 C ATOM 480 SG CYS A 31 -4.921 -4.043 -1.270 1.00 0.00 S ATOM 0 H CYS A 31 -1.849 -3.926 -1.208 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.226 -6.039 0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.422 -5.323 -2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.498 -6.357 -1.708 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.174 -3.006 -1.033 1.00 0.00 H new ATOM 486 N PHE A 32 -1.594 -7.795 -0.309 1.00 0.00 N ATOM 487 CA PHE A 32 -0.663 -8.847 -0.660 1.00 0.00 C ATOM 488 C PHE A 32 -1.199 -10.195 -0.214 1.00 0.00 C ATOM 489 O PHE A 32 -2.025 -10.277 0.696 1.00 0.00 O ATOM 490 CB PHE A 32 0.708 -8.583 -0.023 1.00 0.00 C ATOM 491 CG PHE A 32 0.726 -8.707 1.480 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.126 -7.746 2.280 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.347 -9.786 2.092 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.145 -7.858 3.657 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.368 -9.901 3.468 1.00 0.00 C ATOM 496 CZ PHE A 32 0.766 -8.937 4.251 1.00 0.00 C ATOM 0 H PHE A 32 -2.048 -7.913 0.597 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.546 -8.859 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.432 -9.282 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.037 -7.581 -0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.362 -6.899 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.819 -10.545 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.326 -7.102 4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.856 -10.746 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.781 -9.027 5.327 1.00 0.00 H new ATOM 506 N THR A 33 -0.747 -11.244 -0.868 1.00 0.00 N ATOM 507 CA THR A 33 -1.103 -12.590 -0.470 1.00 0.00 C ATOM 508 C THR A 33 0.047 -13.199 0.326 1.00 0.00 C ATOM 509 O THR A 33 1.208 -12.827 0.133 1.00 0.00 O ATOM 510 CB THR A 33 -1.445 -13.463 -1.703 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.808 -14.790 -1.302 1.00 0.00 O ATOM 512 CG2 THR A 33 -0.275 -13.527 -2.673 1.00 0.00 C ATOM 0 H THR A 33 -0.131 -11.191 -1.679 1.00 0.00 H new ATOM 0 HA THR A 33 -1.993 -12.552 0.158 1.00 0.00 H new ATOM 0 HB THR A 33 -2.292 -12.998 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.747 -14.801 -1.020 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.545 -14.147 -3.528 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.031 -12.521 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.591 -13.959 -2.171 1.00 0.00 H new ATOM 520 N THR A 34 -0.273 -14.124 1.219 1.00 0.00 N ATOM 521 CA THR A 34 0.717 -14.713 2.116 1.00 0.00 C ATOM 522 C THR A 34 1.616 -15.723 1.396 1.00 0.00 C ATOM 523 O THR A 34 2.307 -16.518 2.034 1.00 0.00 O ATOM 524 CB THR A 34 0.034 -15.380 3.324 1.00 0.00 C ATOM 525 OG1 THR A 34 -1.007 -16.263 2.880 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.551 -14.330 4.254 1.00 0.00 C ATOM 0 H THR A 34 -1.218 -14.487 1.344 1.00 0.00 H new ATOM 0 HA THR A 34 1.349 -13.899 2.470 1.00 0.00 H new ATOM 0 HB THR A 34 0.785 -15.954 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.821 -15.747 2.705 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.029 -14.821 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.245 -13.679 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.289 -13.737 3.714 1.00 0.00 H new ATOM 534 N TRP A 35 1.602 -15.669 0.067 1.00 0.00 N ATOM 535 CA TRP A 35 2.431 -16.526 -0.775 1.00 0.00 C ATOM 536 C TRP A 35 3.908 -16.433 -0.389 1.00 0.00 C ATOM 537 O TRP A 35 4.635 -17.424 -0.460 1.00 0.00 O ATOM 538 CB TRP A 35 2.247 -16.121 -2.242 1.00 0.00 C ATOM 539 CG TRP A 35 3.109 -16.881 -3.202 1.00 0.00 C ATOM 540 CD1 TRP A 35 4.005 -16.360 -4.088 1.00 0.00 C ATOM 541 CD2 TRP A 35 3.161 -18.299 -3.364 1.00 0.00 C ATOM 542 NE1 TRP A 35 4.598 -17.368 -4.805 1.00 0.00 N ATOM 543 CE2 TRP A 35 4.097 -18.569 -4.377 1.00 0.00 C ATOM 544 CE3 TRP A 35 2.499 -19.363 -2.752 1.00 0.00 C ATOM 545 CZ2 TRP A 35 4.391 -19.865 -4.790 1.00 0.00 C ATOM 546 CZ3 TRP A 35 2.791 -20.650 -3.159 1.00 0.00 C ATOM 547 CH2 TRP A 35 3.726 -20.891 -4.174 1.00 0.00 C ATOM 0 H TRP A 35 1.011 -15.025 -0.459 1.00 0.00 H new ATOM 0 HA TRP A 35 2.116 -17.559 -0.630 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.202 -16.264 -2.518 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.461 -15.057 -2.343 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.217 -15.308 -4.208 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.297 -17.244 -5.537 1.00 0.00 H new ATOM 0 HE3 TRP A 35 1.771 -19.184 -1.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.117 -20.054 -5.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.291 -21.483 -2.688 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.927 -21.908 -4.477 1.00 0.00 H new ATOM 558 N CYS A 36 4.317 -15.235 0.035 1.00 0.00 N ATOM 559 CA CYS A 36 5.703 -14.936 0.395 1.00 0.00 C ATOM 560 C CYS A 36 6.553 -14.745 -0.863 1.00 0.00 C ATOM 561 O CYS A 36 6.142 -15.112 -1.963 1.00 0.00 O ATOM 562 CB CYS A 36 6.298 -16.025 1.307 1.00 0.00 C ATOM 563 SG CYS A 36 7.957 -15.666 1.934 1.00 0.00 S ATOM 0 H CYS A 36 3.689 -14.438 0.139 1.00 0.00 H new ATOM 0 HA CYS A 36 5.710 -14.003 0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.629 -16.175 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.329 -16.964 0.755 1.00 0.00 H new ATOM 0 HG CYS A 36 8.357 -16.646 2.689 1.00 0.00 H new ATOM 569 N GLY A 37 7.726 -14.148 -0.701 1.00 0.00 N ATOM 570 CA GLY A 37 8.582 -13.875 -1.839 1.00 0.00 C ATOM 571 C GLY A 37 8.740 -12.387 -2.096 1.00 0.00 C ATOM 572 O GLY A 37 9.502 -11.718 -1.399 1.00 0.00 O ATOM 0 H GLY A 37 8.101 -13.848 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.563 -14.318 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.167 -14.353 -2.726 1.00 0.00 H new ATOM 576 N PRO A 38 7.999 -11.837 -3.080 1.00 0.00 N ATOM 577 CA PRO A 38 8.095 -10.422 -3.471 1.00 0.00 C ATOM 578 C PRO A 38 7.930 -9.457 -2.298 1.00 0.00 C ATOM 579 O PRO A 38 8.705 -8.510 -2.152 1.00 0.00 O ATOM 580 CB PRO A 38 6.944 -10.236 -4.473 1.00 0.00 C ATOM 581 CG PRO A 38 6.094 -11.455 -4.342 1.00 0.00 C ATOM 582 CD PRO A 38 7.008 -12.552 -3.893 1.00 0.00 C ATOM 0 HA PRO A 38 9.081 -10.198 -3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.373 -9.335 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.323 -10.130 -5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.293 -11.296 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.622 -11.705 -5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.478 -13.308 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.471 -13.064 -4.737 1.00 0.00 H new ATOM 590 N CYS A 39 6.937 -9.712 -1.453 1.00 0.00 N ATOM 591 CA CYS A 39 6.648 -8.835 -0.324 1.00 0.00 C ATOM 592 C CYS A 39 7.802 -8.832 0.679 1.00 0.00 C ATOM 593 O CYS A 39 8.073 -7.825 1.333 1.00 0.00 O ATOM 594 CB CYS A 39 5.344 -9.266 0.356 1.00 0.00 C ATOM 595 SG CYS A 39 5.245 -11.037 0.718 1.00 0.00 S ATOM 0 H CYS A 39 6.318 -10.519 -1.529 1.00 0.00 H new ATOM 0 HA CYS A 39 6.530 -7.819 -0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.232 -8.710 1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.506 -8.990 -0.284 1.00 0.00 H new ATOM 0 HG CYS A 39 4.109 -11.300 1.293 1.00 0.00 H new ATOM 601 N LYS A 40 8.499 -9.957 0.775 1.00 0.00 N ATOM 602 CA LYS A 40 9.619 -10.077 1.696 1.00 0.00 C ATOM 603 C LYS A 40 10.863 -9.414 1.109 1.00 0.00 C ATOM 604 O LYS A 40 11.611 -8.744 1.821 1.00 0.00 O ATOM 605 CB LYS A 40 9.895 -11.546 2.025 1.00 0.00 C ATOM 606 CG LYS A 40 8.682 -12.292 2.563 1.00 0.00 C ATOM 607 CD LYS A 40 8.079 -11.601 3.779 1.00 0.00 C ATOM 608 CE LYS A 40 6.880 -12.370 4.315 1.00 0.00 C ATOM 609 NZ LYS A 40 6.155 -11.616 5.371 1.00 0.00 N ATOM 0 H LYS A 40 8.308 -10.796 0.228 1.00 0.00 H new ATOM 0 HA LYS A 40 9.359 -9.565 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.251 -12.050 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.698 -11.600 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.928 -12.370 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.971 -13.309 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.834 -11.510 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.774 -10.589 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.197 -12.591 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.214 -13.326 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.347 -12.178 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.798 -11.426 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.812 -10.715 4.981 1.00 0.00 H new ATOM 623 N ARG A 41 11.069 -9.588 -0.197 1.00 0.00 N ATOM 624 CA ARG A 41 12.172 -8.936 -0.892 1.00 0.00 C ATOM 625 C ARG A 41 12.030 -7.422 -0.810 1.00 0.00 C ATOM 626 O ARG A 41 13.009 -6.705 -0.606 1.00 0.00 O ATOM 627 CB ARG A 41 12.216 -9.361 -2.358 1.00 0.00 C ATOM 628 CG ARG A 41 12.614 -10.807 -2.576 1.00 0.00 C ATOM 629 CD ARG A 41 12.773 -11.113 -4.057 1.00 0.00 C ATOM 630 NE ARG A 41 13.228 -12.481 -4.290 1.00 0.00 N ATOM 631 CZ ARG A 41 14.197 -12.807 -5.144 1.00 0.00 C ATOM 632 NH1 ARG A 41 14.855 -11.858 -5.796 1.00 0.00 N ATOM 633 NH2 ARG A 41 14.517 -14.079 -5.335 1.00 0.00 N ATOM 0 H ARG A 41 10.485 -10.175 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 41 13.100 -9.239 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.234 -9.196 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.918 -8.719 -2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.550 -11.012 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.859 -11.464 -2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.820 -10.957 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.485 -10.415 -4.496 1.00 0.00 H new ATOM 0 HE ARG A 41 12.777 -13.232 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.619 -10.877 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.597 -12.109 -6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.021 -14.811 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.259 -14.325 -5.990 1.00 0.00 H new ATOM 647 N LEU A 42 10.799 -6.951 -0.970 1.00 0.00 N ATOM 648 CA LEU A 42 10.493 -5.530 -0.870 1.00 0.00 C ATOM 649 C LEU A 42 10.897 -5.001 0.504 1.00 0.00 C ATOM 650 O LEU A 42 11.401 -3.885 0.636 1.00 0.00 O ATOM 651 CB LEU A 42 8.994 -5.301 -1.103 1.00 0.00 C ATOM 652 CG LEU A 42 8.580 -3.848 -1.339 1.00 0.00 C ATOM 653 CD1 LEU A 42 9.128 -3.349 -2.666 1.00 0.00 C ATOM 654 CD2 LEU A 42 7.065 -3.719 -1.304 1.00 0.00 C ATOM 0 H LEU A 42 9.990 -7.539 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 42 11.057 -4.992 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.683 -5.894 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.447 -5.681 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 42 8.998 -3.233 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.824 -2.313 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.216 -3.410 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.737 -3.965 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.784 -2.679 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.629 -4.344 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.695 -4.041 -0.331 1.00 0.00 H new ATOM 666 N SER A 43 10.700 -5.831 1.519 1.00 0.00 N ATOM 667 CA SER A 43 11.028 -5.470 2.891 1.00 0.00 C ATOM 668 C SER A 43 12.540 -5.375 3.094 1.00 0.00 C ATOM 669 O SER A 43 13.018 -4.600 3.921 1.00 0.00 O ATOM 670 CB SER A 43 10.426 -6.488 3.860 1.00 0.00 C ATOM 671 OG SER A 43 9.014 -6.553 3.720 1.00 0.00 O ATOM 0 H SER A 43 10.311 -6.768 1.416 1.00 0.00 H new ATOM 0 HA SER A 43 10.601 -4.488 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.859 -7.471 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.681 -6.215 4.884 1.00 0.00 H new ATOM 0 HG SER A 43 8.789 -7.001 2.878 1.00 0.00 H new ATOM 677 N LYS A 44 13.285 -6.158 2.326 1.00 0.00 N ATOM 678 CA LYS A 44 14.736 -6.210 2.457 1.00 0.00 C ATOM 679 C LYS A 44 15.378 -4.872 2.106 1.00 0.00 C ATOM 680 O LYS A 44 16.349 -4.457 2.741 1.00 0.00 O ATOM 681 CB LYS A 44 15.311 -7.302 1.558 1.00 0.00 C ATOM 682 CG LYS A 44 14.866 -8.703 1.935 1.00 0.00 C ATOM 683 CD LYS A 44 15.433 -9.745 0.986 1.00 0.00 C ATOM 684 CE LYS A 44 16.955 -9.731 0.971 1.00 0.00 C ATOM 685 NZ LYS A 44 17.536 -10.067 2.299 1.00 0.00 N ATOM 0 H LYS A 44 12.907 -6.769 1.602 1.00 0.00 H new ATOM 0 HA LYS A 44 14.963 -6.437 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.018 -7.103 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.399 -7.254 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.186 -8.925 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.777 -8.755 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.082 -10.734 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.058 -9.561 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.315 -10.443 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.304 -8.745 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.566 -10.178 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.328 -9.303 2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.121 -10.956 2.645 1.00 0.00 H new ATOM 699 N VAL A 45 14.834 -4.203 1.102 1.00 0.00 N ATOM 700 CA VAL A 45 15.434 -2.973 0.597 1.00 0.00 C ATOM 701 C VAL A 45 14.629 -1.732 0.986 1.00 0.00 C ATOM 702 O VAL A 45 15.161 -0.786 1.567 1.00 0.00 O ATOM 703 CB VAL A 45 15.606 -3.039 -0.943 1.00 0.00 C ATOM 704 CG1 VAL A 45 14.285 -3.291 -1.661 1.00 0.00 C ATOM 705 CG2 VAL A 45 16.284 -1.781 -1.471 1.00 0.00 C ATOM 0 H VAL A 45 13.981 -4.488 0.620 1.00 0.00 H new ATOM 0 HA VAL A 45 16.415 -2.885 1.063 1.00 0.00 H new ATOM 0 HB VAL A 45 16.251 -3.891 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.457 -3.329 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.865 -4.240 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.588 -2.485 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.392 -1.853 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 45 15.677 -0.910 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 45 17.268 -1.679 -1.014 1.00 0.00 H new ATOM 715 N VAL A 46 13.347 -1.754 0.681 1.00 0.00 N ATOM 716 CA VAL A 46 12.481 -0.596 0.893 1.00 0.00 C ATOM 717 C VAL A 46 12.199 -0.371 2.377 1.00 0.00 C ATOM 718 O VAL A 46 12.172 0.766 2.849 1.00 0.00 O ATOM 719 CB VAL A 46 11.145 -0.742 0.132 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.278 0.495 0.312 1.00 0.00 C ATOM 721 CG2 VAL A 46 11.401 -1.000 -1.343 1.00 0.00 C ATOM 0 H VAL A 46 12.873 -2.564 0.282 1.00 0.00 H new ATOM 0 HA VAL A 46 13.016 0.270 0.502 1.00 0.00 H new ATOM 0 HB VAL A 46 10.609 -1.595 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.343 0.367 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.063 0.638 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.805 1.368 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.450 -1.101 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.961 -0.166 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.976 -1.919 -1.457 1.00 0.00 H new ATOM 731 N PHE A 47 12.019 -1.455 3.114 1.00 0.00 N ATOM 732 CA PHE A 47 11.698 -1.371 4.538 1.00 0.00 C ATOM 733 C PHE A 47 12.972 -1.224 5.368 1.00 0.00 C ATOM 734 O PHE A 47 13.089 -1.783 6.461 1.00 0.00 O ATOM 735 CB PHE A 47 10.922 -2.615 4.988 1.00 0.00 C ATOM 736 CG PHE A 47 9.537 -2.743 4.401 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.323 -2.623 3.036 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.452 -3.000 5.221 1.00 0.00 C ATOM 739 CE1 PHE A 47 8.057 -2.754 2.503 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.184 -3.136 4.694 1.00 0.00 C ATOM 741 CZ PHE A 47 6.985 -3.012 3.333 1.00 0.00 C ATOM 0 H PHE A 47 12.089 -2.407 2.753 1.00 0.00 H new ATOM 0 HA PHE A 47 11.074 -0.491 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.498 -3.501 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.841 -2.602 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.159 -2.424 2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.600 -3.095 6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.905 -2.655 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.347 -3.339 5.346 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.993 -3.117 2.919 1.00 0.00 H new ATOM 751 N LYS A 48 13.910 -0.445 4.854 1.00 0.00 N ATOM 752 CA LYS A 48 15.190 -0.246 5.513 1.00 0.00 C ATOM 753 C LYS A 48 15.560 1.231 5.538 1.00 0.00 C ATOM 754 O LYS A 48 15.905 1.778 6.585 1.00 0.00 O ATOM 755 CB LYS A 48 16.288 -1.027 4.787 1.00 0.00 C ATOM 756 CG LYS A 48 17.670 -0.827 5.387 1.00 0.00 C ATOM 757 CD LYS A 48 18.764 -1.277 4.433 1.00 0.00 C ATOM 758 CE LYS A 48 18.675 -2.764 4.131 1.00 0.00 C ATOM 759 NZ LYS A 48 19.646 -3.164 3.082 1.00 0.00 N ATOM 0 H LYS A 48 13.807 0.063 3.976 1.00 0.00 H new ATOM 0 HA LYS A 48 15.101 -0.609 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.042 -2.089 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.307 -0.724 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.812 0.225 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.747 -1.386 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.690 -0.713 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.739 -1.052 4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.865 -3.333 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.664 -3.011 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.559 -4.184 2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.448 -2.638 2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.612 -2.951 3.403 1.00 0.00 H new ATOM 773 N ASP A 49 15.474 1.863 4.373 1.00 0.00 N ATOM 774 CA ASP A 49 15.927 3.243 4.204 1.00 0.00 C ATOM 775 C ASP A 49 15.120 4.206 5.066 1.00 0.00 C ATOM 776 O ASP A 49 13.892 4.244 4.992 1.00 0.00 O ATOM 777 CB ASP A 49 15.843 3.665 2.739 1.00 0.00 C ATOM 778 CG ASP A 49 16.491 5.012 2.508 1.00 0.00 C ATOM 779 OD1 ASP A 49 17.725 5.052 2.310 1.00 0.00 O ATOM 780 OD2 ASP A 49 15.783 6.038 2.538 1.00 0.00 O ATOM 0 H ASP A 49 15.093 1.441 3.526 1.00 0.00 H new ATOM 0 HA ASP A 49 16.967 3.284 4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.330 2.915 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.798 3.706 2.431 1.00 0.00 H new ATOM 785 N SER A 50 15.830 4.991 5.863 1.00 0.00 N ATOM 786 CA SER A 50 15.214 5.897 6.821 1.00 0.00 C ATOM 787 C SER A 50 14.416 6.998 6.124 1.00 0.00 C ATOM 788 O SER A 50 13.330 7.361 6.574 1.00 0.00 O ATOM 789 CB SER A 50 16.291 6.508 7.723 1.00 0.00 C ATOM 790 OG SER A 50 17.328 7.101 6.956 1.00 0.00 O ATOM 0 H SER A 50 16.850 5.018 5.864 1.00 0.00 H new ATOM 0 HA SER A 50 14.515 5.322 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.841 7.259 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.709 5.736 8.369 1.00 0.00 H new ATOM 0 HG SER A 50 18.001 7.485 7.557 1.00 0.00 H new ATOM 796 N LEU A 51 14.951 7.522 5.026 1.00 0.00 N ATOM 797 CA LEU A 51 14.300 8.604 4.301 1.00 0.00 C ATOM 798 C LEU A 51 13.048 8.114 3.594 1.00 0.00 C ATOM 799 O LEU A 51 11.970 8.688 3.762 1.00 0.00 O ATOM 800 CB LEU A 51 15.256 9.245 3.291 1.00 0.00 C ATOM 801 CG LEU A 51 16.163 10.347 3.848 1.00 0.00 C ATOM 802 CD1 LEU A 51 15.326 11.460 4.457 1.00 0.00 C ATOM 803 CD2 LEU A 51 17.139 9.787 4.873 1.00 0.00 C ATOM 0 H LEU A 51 15.834 7.214 4.620 1.00 0.00 H new ATOM 0 HA LEU A 51 14.012 9.359 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.884 8.463 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.667 9.662 2.474 1.00 0.00 H new ATOM 0 HG LEU A 51 16.745 10.759 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 51 15.983 12.236 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.676 11.886 3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.718 11.057 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.770 10.591 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.584 9.342 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.763 9.026 4.404 1.00 0.00 H new ATOM 815 N VAL A 52 13.192 7.047 2.814 1.00 0.00 N ATOM 816 CA VAL A 52 12.068 6.483 2.070 1.00 0.00 C ATOM 817 C VAL A 52 10.954 6.046 3.014 1.00 0.00 C ATOM 818 O VAL A 52 9.794 6.408 2.826 1.00 0.00 O ATOM 819 CB VAL A 52 12.505 5.285 1.196 1.00 0.00 C ATOM 820 CG1 VAL A 52 11.308 4.669 0.482 1.00 0.00 C ATOM 821 CG2 VAL A 52 13.555 5.720 0.186 1.00 0.00 C ATOM 0 H VAL A 52 14.075 6.555 2.680 1.00 0.00 H new ATOM 0 HA VAL A 52 11.694 7.270 1.414 1.00 0.00 H new ATOM 0 HB VAL A 52 12.940 4.529 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.641 3.828 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.585 4.320 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.841 5.418 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.852 4.865 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.141 6.496 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.426 6.111 0.712 1.00 0.00 H new ATOM 831 N ALA A 53 11.318 5.289 4.042 1.00 0.00 N ATOM 832 CA ALA A 53 10.345 4.769 4.997 1.00 0.00 C ATOM 833 C ALA A 53 9.606 5.892 5.715 1.00 0.00 C ATOM 834 O ALA A 53 8.394 5.823 5.912 1.00 0.00 O ATOM 835 CB ALA A 53 11.029 3.867 6.007 1.00 0.00 C ATOM 0 H ALA A 53 12.283 5.021 4.237 1.00 0.00 H new ATOM 0 HA ALA A 53 9.610 4.190 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.291 3.486 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.500 3.032 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.788 4.434 6.546 1.00 0.00 H new ATOM 841 N ASP A 54 10.341 6.925 6.100 1.00 0.00 N ATOM 842 CA ASP A 54 9.759 8.045 6.830 1.00 0.00 C ATOM 843 C ASP A 54 8.840 8.858 5.928 1.00 0.00 C ATOM 844 O ASP A 54 7.688 9.117 6.271 1.00 0.00 O ATOM 845 CB ASP A 54 10.858 8.935 7.407 1.00 0.00 C ATOM 846 CG ASP A 54 10.309 10.139 8.140 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.604 9.951 9.153 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.596 11.279 7.715 1.00 0.00 O ATOM 0 H ASP A 54 11.341 7.012 5.920 1.00 0.00 H new ATOM 0 HA ASP A 54 9.166 7.644 7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.474 8.349 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.509 9.272 6.600 1.00 0.00 H new ATOM 853 N TYR A 55 9.353 9.233 4.761 1.00 0.00 N ATOM 854 CA TYR A 55 8.600 10.037 3.807 1.00 0.00 C ATOM 855 C TYR A 55 7.312 9.328 3.394 1.00 0.00 C ATOM 856 O TYR A 55 6.246 9.945 3.310 1.00 0.00 O ATOM 857 CB TYR A 55 9.464 10.320 2.571 1.00 0.00 C ATOM 858 CG TYR A 55 8.762 11.104 1.481 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.679 12.489 1.537 1.00 0.00 C ATOM 860 CD2 TYR A 55 8.189 10.456 0.393 1.00 0.00 C ATOM 861 CE1 TYR A 55 8.044 13.206 0.543 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.552 11.167 -0.605 1.00 0.00 C ATOM 863 CZ TYR A 55 7.481 12.540 -0.524 1.00 0.00 C ATOM 864 OH TYR A 55 6.849 13.252 -1.516 1.00 0.00 O ATOM 0 H TYR A 55 10.294 8.990 4.452 1.00 0.00 H new ATOM 0 HA TYR A 55 8.332 10.979 4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.352 10.870 2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.805 9.371 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.119 13.014 2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.243 9.379 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.989 14.283 0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.112 10.649 -1.444 1.00 0.00 H new ATOM 0 HH TYR A 55 7.263 14.136 -1.598 1.00 0.00 H new ATOM 874 N PHE A 56 7.426 8.033 3.148 1.00 0.00 N ATOM 875 CA PHE A 56 6.305 7.230 2.685 1.00 0.00 C ATOM 876 C PHE A 56 5.240 7.096 3.771 1.00 0.00 C ATOM 877 O PHE A 56 4.059 7.348 3.529 1.00 0.00 O ATOM 878 CB PHE A 56 6.813 5.846 2.271 1.00 0.00 C ATOM 879 CG PHE A 56 5.848 5.058 1.437 1.00 0.00 C ATOM 880 CD1 PHE A 56 5.828 5.210 0.061 1.00 0.00 C ATOM 881 CD2 PHE A 56 4.974 4.160 2.023 1.00 0.00 C ATOM 882 CE1 PHE A 56 4.953 4.482 -0.715 1.00 0.00 C ATOM 883 CE2 PHE A 56 4.099 3.428 1.251 1.00 0.00 C ATOM 884 CZ PHE A 56 4.088 3.590 -0.120 1.00 0.00 C ATOM 0 H PHE A 56 8.294 7.510 3.263 1.00 0.00 H new ATOM 0 HA PHE A 56 5.848 7.726 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.743 5.965 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.049 5.275 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.506 5.907 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.978 4.032 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.945 4.610 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.422 2.728 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.401 3.018 -0.726 1.00 0.00 H new ATOM 894 N ASN A 57 5.677 6.725 4.970 1.00 0.00 N ATOM 895 CA ASN A 57 4.767 6.454 6.080 1.00 0.00 C ATOM 896 C ASN A 57 4.063 7.720 6.561 1.00 0.00 C ATOM 897 O ASN A 57 2.933 7.663 7.041 1.00 0.00 O ATOM 898 CB ASN A 57 5.538 5.800 7.231 1.00 0.00 C ATOM 899 CG ASN A 57 4.660 5.424 8.409 1.00 0.00 C ATOM 900 OD1 ASN A 57 4.519 6.180 9.368 1.00 0.00 O ATOM 901 ND2 ASN A 57 4.055 4.251 8.340 1.00 0.00 N ATOM 0 H ASN A 57 6.663 6.604 5.200 1.00 0.00 H new ATOM 0 HA ASN A 57 3.995 5.771 5.724 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.039 4.905 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.316 6.483 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.446 3.946 9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.197 3.651 7.527 1.00 0.00 H new ATOM 908 N ARG A 58 4.729 8.862 6.437 1.00 0.00 N ATOM 909 CA ARG A 58 4.128 10.122 6.855 1.00 0.00 C ATOM 910 C ARG A 58 3.059 10.574 5.870 1.00 0.00 C ATOM 911 O ARG A 58 1.935 10.866 6.264 1.00 0.00 O ATOM 912 CB ARG A 58 5.178 11.226 7.012 1.00 0.00 C ATOM 913 CG ARG A 58 6.126 11.012 8.178 1.00 0.00 C ATOM 914 CD ARG A 58 6.960 12.253 8.448 1.00 0.00 C ATOM 915 NE ARG A 58 7.980 12.010 9.464 1.00 0.00 N ATOM 916 CZ ARG A 58 8.335 12.882 10.404 1.00 0.00 C ATOM 917 NH1 ARG A 58 7.752 14.074 10.475 1.00 0.00 N ATOM 918 NH2 ARG A 58 9.281 12.558 11.274 1.00 0.00 N ATOM 0 H ARG A 58 5.672 8.942 6.056 1.00 0.00 H new ATOM 0 HA ARG A 58 3.666 9.943 7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.759 11.295 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.670 12.182 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.556 10.754 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.783 10.169 7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.438 12.578 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.309 13.065 8.773 1.00 0.00 H new ATOM 0 HE ARG A 58 8.454 11.107 9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.026 14.327 9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.031 14.736 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.732 11.645 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.558 13.222 11.997 1.00 0.00 H new ATOM 932 N HIS A 59 3.403 10.609 4.588 1.00 0.00 N ATOM 933 CA HIS A 59 2.512 11.180 3.576 1.00 0.00 C ATOM 934 C HIS A 59 1.336 10.265 3.257 1.00 0.00 C ATOM 935 O HIS A 59 0.238 10.737 2.958 1.00 0.00 O ATOM 936 CB HIS A 59 3.280 11.506 2.294 1.00 0.00 C ATOM 937 CG HIS A 59 4.121 12.740 2.397 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.828 13.909 1.726 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.252 12.987 3.100 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.745 14.816 2.006 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.616 14.281 2.839 1.00 0.00 N ATOM 0 H HIS A 59 4.286 10.252 4.223 1.00 0.00 H new ATOM 0 HA HIS A 59 2.110 12.101 3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.919 10.661 2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.570 11.627 1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.770 12.293 3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.777 15.824 1.619 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.431 14.756 3.227 1.00 0.00 H new ATOM 950 N PHE A 60 1.557 8.963 3.311 1.00 0.00 N ATOM 951 CA PHE A 60 0.498 8.017 3.011 1.00 0.00 C ATOM 952 C PHE A 60 0.184 7.167 4.225 1.00 0.00 C ATOM 953 O PHE A 60 1.086 6.700 4.918 1.00 0.00 O ATOM 954 CB PHE A 60 0.885 7.116 1.838 1.00 0.00 C ATOM 955 CG PHE A 60 1.097 7.855 0.546 1.00 0.00 C ATOM 956 CD1 PHE A 60 0.021 8.174 -0.269 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.371 8.231 0.145 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.212 8.853 -1.458 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.567 8.911 -1.043 1.00 0.00 C ATOM 960 CZ PHE A 60 1.485 9.222 -1.846 1.00 0.00 C ATOM 0 H PHE A 60 2.452 8.540 3.557 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.389 8.587 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.799 6.578 2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.105 6.369 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.977 7.889 0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.220 7.990 0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.634 9.095 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.564 9.199 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.635 9.752 -2.775 1.00 0.00 H new ATOM 970 N VAL A 61 -1.097 6.970 4.481 1.00 0.00 N ATOM 971 CA VAL A 61 -1.521 6.125 5.583 1.00 0.00 C ATOM 972 C VAL A 61 -1.313 4.668 5.201 1.00 0.00 C ATOM 973 O VAL A 61 -2.004 4.142 4.328 1.00 0.00 O ATOM 974 CB VAL A 61 -3.001 6.361 5.956 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.404 5.507 7.151 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.257 7.835 6.239 1.00 0.00 C ATOM 0 H VAL A 61 -1.859 7.382 3.943 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.920 6.379 6.456 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.614 6.064 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.450 5.692 7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.268 4.453 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.782 5.764 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.306 7.979 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.629 8.161 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.020 8.422 5.352 1.00 0.00 H new ATOM 986 N ASN A 62 -0.349 4.028 5.843 1.00 0.00 N ATOM 987 CA ASN A 62 0.018 2.663 5.497 1.00 0.00 C ATOM 988 C ASN A 62 -0.945 1.671 6.123 1.00 0.00 C ATOM 989 O ASN A 62 -0.906 1.425 7.328 1.00 0.00 O ATOM 990 CB ASN A 62 1.452 2.354 5.941 1.00 0.00 C ATOM 991 CG ASN A 62 2.490 3.193 5.218 1.00 0.00 C ATOM 992 OD1 ASN A 62 3.569 3.447 5.749 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.176 3.634 4.010 1.00 0.00 N ATOM 0 H ASN A 62 0.194 4.431 6.607 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.038 2.568 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.539 2.524 7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.661 1.298 5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.840 4.205 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.270 3.402 3.602 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.816 1.120 5.297 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.789 0.139 5.744 1.00 0.00 C ATOM 1002 C LEU A 63 -2.389 -1.247 5.260 1.00 0.00 C ATOM 1003 O LEU A 63 -2.153 -1.448 4.072 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.181 0.500 5.219 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.302 -0.469 5.600 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.470 -0.529 7.111 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.603 -0.053 4.932 1.00 0.00 C ATOM 0 H LEU A 63 -1.869 1.338 4.302 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.816 0.138 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.442 1.492 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.134 0.564 4.132 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.034 -1.466 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.272 -1.224 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.540 -0.869 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.718 0.463 7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.394 -0.750 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.874 0.952 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.475 -0.062 3.850 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.298 -2.189 6.183 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.931 -3.555 5.847 1.00 0.00 C ATOM 1021 C LYS A 64 -3.177 -4.412 5.683 1.00 0.00 C ATOM 1022 O LYS A 64 -3.960 -4.562 6.620 1.00 0.00 O ATOM 1023 CB LYS A 64 -1.033 -4.145 6.938 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.716 -5.619 6.749 1.00 0.00 C ATOM 1025 CD LYS A 64 0.177 -6.132 7.863 1.00 0.00 C ATOM 1026 CE LYS A 64 0.356 -7.638 7.792 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.932 -8.360 7.974 1.00 0.00 N ATOM 0 H LYS A 64 -2.474 -2.032 7.175 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.384 -3.545 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.099 -3.584 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.517 -4.009 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.642 -6.194 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.225 -5.768 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.151 -5.647 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.253 -5.862 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.790 -7.907 6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.062 -7.956 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.745 -9.372 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.432 -7.976 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.521 -8.238 7.126 1.00 0.00 H new ATOM 1041 N MET A 65 -3.368 -4.962 4.494 1.00 0.00 N ATOM 1042 CA MET A 65 -4.503 -5.836 4.246 1.00 0.00 C ATOM 1043 C MET A 65 -4.094 -7.055 3.441 1.00 0.00 C ATOM 1044 O MET A 65 -3.896 -6.983 2.228 1.00 0.00 O ATOM 1045 CB MET A 65 -5.638 -5.094 3.539 1.00 0.00 C ATOM 1046 CG MET A 65 -6.505 -4.285 4.485 1.00 0.00 C ATOM 1047 SD MET A 65 -7.930 -3.552 3.669 1.00 0.00 S ATOM 1048 CE MET A 65 -8.849 -2.967 5.084 1.00 0.00 C ATOM 0 H MET A 65 -2.756 -4.820 3.691 1.00 0.00 H new ATOM 0 HA MET A 65 -4.867 -6.170 5.218 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.215 -4.429 2.786 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.262 -5.816 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.847 -4.928 5.296 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.904 -3.495 4.936 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.204 -1.954 4.894 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.701 -3.623 5.261 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.203 -2.966 5.962 1.00 0.00 H new ATOM 1058 N ASP A 66 -3.957 -8.174 4.133 1.00 0.00 N ATOM 1059 CA ASP A 66 -3.687 -9.443 3.488 1.00 0.00 C ATOM 1060 C ASP A 66 -4.889 -9.835 2.652 1.00 0.00 C ATOM 1061 O ASP A 66 -6.031 -9.639 3.074 1.00 0.00 O ATOM 1062 CB ASP A 66 -3.444 -10.539 4.527 1.00 0.00 C ATOM 1063 CG ASP A 66 -2.547 -10.100 5.666 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -2.990 -9.262 6.484 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -1.416 -10.606 5.772 1.00 0.00 O ATOM 0 H ASP A 66 -4.029 -8.226 5.149 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.798 -9.335 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.402 -10.863 4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.998 -11.403 4.035 1.00 0.00 H new ATOM 1070 N MET A 67 -4.642 -10.387 1.477 1.00 0.00 N ATOM 1071 CA MET A 67 -5.724 -10.862 0.626 1.00 0.00 C ATOM 1072 C MET A 67 -6.261 -12.194 1.131 1.00 0.00 C ATOM 1073 O MET A 67 -7.183 -12.771 0.556 1.00 0.00 O ATOM 1074 CB MET A 67 -5.281 -10.947 -0.831 1.00 0.00 C ATOM 1075 CG MET A 67 -5.459 -9.629 -1.570 1.00 0.00 C ATOM 1076 SD MET A 67 -4.948 -9.709 -3.294 1.00 0.00 S ATOM 1077 CE MET A 67 -3.175 -9.814 -3.105 1.00 0.00 C ATOM 0 H MET A 67 -3.707 -10.518 1.090 1.00 0.00 H new ATOM 0 HA MET A 67 -6.538 -10.139 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.233 -11.245 -0.872 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.854 -11.724 -1.337 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.506 -9.331 -1.522 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.884 -8.855 -1.063 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.705 -9.835 -4.088 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.816 -8.947 -2.549 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.920 -10.724 -2.562 1.00 0.00 H new ATOM 1087 N GLU A 68 -5.690 -12.650 2.231 1.00 0.00 N ATOM 1088 CA GLU A 68 -6.253 -13.745 2.987 1.00 0.00 C ATOM 1089 C GLU A 68 -6.713 -13.212 4.323 1.00 0.00 C ATOM 1090 O GLU A 68 -5.929 -13.044 5.260 1.00 0.00 O ATOM 1091 CB GLU A 68 -5.266 -14.883 3.176 1.00 0.00 C ATOM 1092 CG GLU A 68 -5.044 -15.691 1.918 1.00 0.00 C ATOM 1093 CD GLU A 68 -3.949 -15.126 1.033 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -2.788 -15.053 1.490 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -4.240 -14.751 -0.121 1.00 0.00 O ATOM 0 H GLU A 68 -4.827 -12.271 2.621 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.094 -14.158 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.312 -14.477 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.628 -15.542 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.790 -16.715 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.975 -15.734 1.352 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.994 -12.931 4.368 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.607 -12.191 5.449 1.00 0.00 C ATOM 1104 C LYS A 69 -10.082 -11.985 5.116 1.00 0.00 C ATOM 1105 O LYS A 69 -10.540 -12.422 4.055 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.908 -10.833 5.607 1.00 0.00 C ATOM 1107 CG LYS A 69 -8.131 -10.180 6.956 1.00 0.00 C ATOM 1108 CD LYS A 69 -7.689 -8.721 6.962 1.00 0.00 C ATOM 1109 CE LYS A 69 -6.211 -8.566 6.632 1.00 0.00 C ATOM 1110 NZ LYS A 69 -5.330 -8.973 7.760 1.00 0.00 N ATOM 0 H LYS A 69 -8.652 -13.215 3.642 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.512 -12.742 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.837 -10.966 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.262 -10.160 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.187 -10.240 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.581 -10.729 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.282 -8.161 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.888 -8.287 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.973 -9.167 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.007 -7.527 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.371 -9.159 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.294 -8.209 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.708 -9.835 8.202 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.813 -11.322 6.003 1.00 0.00 N ATOM 1125 CA GLY A 70 -12.209 -11.022 5.751 1.00 0.00 C ATOM 1126 C GLY A 70 -12.411 -10.243 4.466 1.00 0.00 C ATOM 1127 O GLY A 70 -12.940 -10.774 3.488 1.00 0.00 O ATOM 0 H GLY A 70 -10.461 -10.985 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.774 -11.953 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.611 -10.449 6.587 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.968 -8.992 4.455 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.083 -8.152 3.263 1.00 0.00 C ATOM 1133 C GLU A 71 -11.012 -8.504 2.238 1.00 0.00 C ATOM 1134 O GLU A 71 -11.072 -8.057 1.096 1.00 0.00 O ATOM 1135 CB GLU A 71 -11.983 -6.667 3.621 1.00 0.00 C ATOM 1136 CG GLU A 71 -13.282 -6.056 4.131 1.00 0.00 C ATOM 1137 CD GLU A 71 -13.748 -6.641 5.446 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.222 -6.228 6.503 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -14.638 -7.515 5.431 1.00 0.00 O ATOM 0 H GLU A 71 -11.527 -8.535 5.253 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.064 -8.343 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.212 -6.540 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.656 -6.114 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.147 -4.981 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.061 -6.200 3.382 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.043 -9.316 2.649 1.00 0.00 N ATOM 1147 CA GLY A 72 -8.948 -9.688 1.768 1.00 0.00 C ATOM 1148 C GLY A 72 -9.421 -10.362 0.497 1.00 0.00 C ATOM 1149 O GLY A 72 -9.018 -9.983 -0.605 1.00 0.00 O ATOM 0 H GLY A 72 -9.996 -9.726 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.376 -8.797 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.272 -10.358 2.299 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.287 -11.353 0.650 1.00 0.00 N ATOM 1154 CA VAL A 73 -10.853 -12.060 -0.495 1.00 0.00 C ATOM 1155 C VAL A 73 -11.717 -11.116 -1.331 1.00 0.00 C ATOM 1156 O VAL A 73 -11.764 -11.227 -2.561 1.00 0.00 O ATOM 1157 CB VAL A 73 -11.680 -13.292 -0.046 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.785 -12.888 0.916 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -12.256 -14.036 -1.245 1.00 0.00 C ATOM 0 H VAL A 73 -10.615 -11.688 1.556 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.026 -12.417 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.005 -13.968 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.349 -13.772 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.347 -12.422 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.453 -12.180 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.831 -14.895 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.906 -13.368 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.443 -14.378 -1.886 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.361 -10.162 -0.663 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.192 -9.192 -1.350 1.00 0.00 C ATOM 1171 C GLU A 74 -12.327 -8.310 -2.234 1.00 0.00 C ATOM 1172 O GLU A 74 -12.599 -8.168 -3.414 1.00 0.00 O ATOM 1173 CB GLU A 74 -13.981 -8.326 -0.360 1.00 0.00 C ATOM 1174 CG GLU A 74 -14.965 -7.386 -1.043 1.00 0.00 C ATOM 1175 CD GLU A 74 -15.664 -6.455 -0.077 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -16.173 -6.935 0.956 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -15.709 -5.230 -0.346 1.00 0.00 O ATOM 0 H GLU A 74 -12.320 -10.045 0.349 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.910 -9.736 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.524 -8.974 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.283 -7.740 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.435 -6.794 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.712 -7.975 -1.575 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.263 -7.756 -1.658 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.378 -6.839 -2.376 1.00 0.00 C ATOM 1186 C LEU A 75 -9.746 -7.510 -3.590 1.00 0.00 C ATOM 1187 O LEU A 75 -9.640 -6.904 -4.661 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.282 -6.314 -1.441 1.00 0.00 C ATOM 1189 CG LEU A 75 -9.791 -5.605 -0.182 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -8.632 -5.154 0.688 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -10.669 -4.419 -0.552 1.00 0.00 C ATOM 0 H LEU A 75 -10.991 -7.927 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.983 -6.003 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.651 -7.150 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.650 -5.623 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.391 -6.315 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.017 -4.653 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.043 -6.021 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.003 -4.464 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.020 -3.929 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.092 -3.711 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.525 -4.766 -1.131 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.348 -8.768 -3.426 1.00 0.00 N ATOM 1204 CA ARG A 76 -8.707 -9.519 -4.499 1.00 0.00 C ATOM 1205 C ARG A 76 -9.645 -9.651 -5.698 1.00 0.00 C ATOM 1206 O ARG A 76 -9.231 -9.499 -6.849 1.00 0.00 O ATOM 1207 CB ARG A 76 -8.288 -10.902 -3.997 1.00 0.00 C ATOM 1208 CG ARG A 76 -7.328 -11.630 -4.928 1.00 0.00 C ATOM 1209 CD ARG A 76 -6.787 -12.901 -4.290 1.00 0.00 C ATOM 1210 NE ARG A 76 -5.670 -13.466 -5.046 1.00 0.00 N ATOM 1211 CZ ARG A 76 -4.823 -14.376 -4.562 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -4.996 -14.876 -3.345 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -3.808 -14.794 -5.304 1.00 0.00 N ATOM 0 H ARG A 76 -9.459 -9.290 -2.557 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.817 -8.976 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.820 -10.796 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.180 -11.514 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.840 -11.878 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.500 -10.970 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.462 -12.685 -3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.586 -13.639 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.530 -13.144 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.781 -14.565 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.344 -15.571 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.675 -14.420 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.159 -15.490 -4.936 1.00 0.00 H new ATOM 1227 N LYS A 77 -10.913 -9.925 -5.413 1.00 0.00 N ATOM 1228 CA LYS A 77 -11.931 -10.056 -6.448 1.00 0.00 C ATOM 1229 C LYS A 77 -12.355 -8.679 -6.970 1.00 0.00 C ATOM 1230 O LYS A 77 -12.629 -8.496 -8.156 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.152 -10.783 -5.874 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.186 -11.161 -6.919 1.00 0.00 C ATOM 1233 CD LYS A 77 -13.708 -12.319 -7.775 1.00 0.00 C ATOM 1234 CE LYS A 77 -13.668 -13.617 -6.987 1.00 0.00 C ATOM 1235 NZ LYS A 77 -13.331 -14.772 -7.853 1.00 0.00 N ATOM 0 H LYS A 77 -11.262 -10.062 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.513 -10.628 -7.276 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.819 -11.686 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.622 -10.147 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.121 -11.431 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.397 -10.300 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.369 -12.434 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.714 -12.098 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.932 -13.535 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.636 -13.786 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.313 -15.641 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.047 -14.865 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.397 -14.622 -8.284 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.383 -7.726 -6.055 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.920 -6.391 -6.288 1.00 0.00 C ATOM 1251 C LYS A 78 -12.059 -5.601 -7.262 1.00 0.00 C ATOM 1252 O LYS A 78 -12.560 -5.024 -8.225 1.00 0.00 O ATOM 1253 CB LYS A 78 -12.988 -5.668 -4.943 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.883 -4.447 -4.899 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.075 -4.005 -3.458 1.00 0.00 C ATOM 1256 CE LYS A 78 -15.167 -2.960 -3.312 1.00 0.00 C ATOM 1257 NZ LYS A 78 -15.445 -2.659 -1.881 1.00 0.00 N ATOM 0 H LYS A 78 -12.026 -7.858 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.911 -6.476 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.332 -6.375 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.979 -5.367 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.441 -3.639 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.848 -4.675 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.322 -4.872 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.137 -3.602 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.869 -2.046 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.078 -3.314 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.330 -2.118 -1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.537 -3.549 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.663 -2.099 -1.486 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.761 -5.589 -7.009 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.837 -4.789 -7.797 1.00 0.00 C ATOM 1273 C TYR A 79 -9.100 -5.655 -8.808 1.00 0.00 C ATOM 1274 O TYR A 79 -8.115 -5.227 -9.405 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.871 -4.069 -6.860 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.605 -3.159 -5.906 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -10.044 -1.911 -6.320 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.895 -3.561 -4.609 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.744 -1.086 -5.469 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -10.600 -2.741 -3.750 1.00 0.00 C ATOM 1281 CZ TYR A 79 -11.024 -1.504 -4.186 1.00 0.00 C ATOM 1282 OH TYR A 79 -11.735 -0.683 -3.339 1.00 0.00 O ATOM 0 H TYR A 79 -10.322 -6.126 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.393 -4.042 -8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.295 -4.802 -6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.159 -3.487 -7.446 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.833 -1.581 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.564 -4.530 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.073 -0.114 -5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.818 -3.067 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.848 -1.126 -2.472 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.602 -6.874 -8.993 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.064 -7.776 -9.995 1.00 0.00 C ATOM 1294 C GLY A 80 -7.585 -8.038 -9.828 1.00 0.00 C ATOM 1295 O GLY A 80 -6.799 -7.814 -10.750 1.00 0.00 O ATOM 0 H GLY A 80 -10.382 -7.256 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.602 -8.723 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.243 -7.357 -10.985 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.202 -8.520 -8.662 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.804 -8.788 -8.378 1.00 0.00 C ATOM 1301 C VAL A 81 -5.367 -10.108 -9.006 1.00 0.00 C ATOM 1302 O VAL A 81 -5.722 -11.187 -8.529 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.530 -8.827 -6.862 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -4.057 -9.092 -6.592 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.972 -7.527 -6.206 1.00 0.00 C ATOM 0 H VAL A 81 -7.839 -8.735 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.227 -7.972 -8.813 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.109 -9.643 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.883 -9.116 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.774 -10.051 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.457 -8.300 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.771 -7.573 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.422 -6.694 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.040 -7.382 -6.369 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.604 -10.014 -10.084 1.00 0.00 N ATOM 1316 CA HIS A 82 -4.094 -11.199 -10.761 1.00 0.00 C ATOM 1317 C HIS A 82 -2.593 -11.323 -10.541 1.00 0.00 C ATOM 1318 O HIS A 82 -1.886 -11.967 -11.312 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.425 -11.155 -12.259 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.883 -11.336 -12.554 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.436 -12.545 -12.918 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.908 -10.454 -12.530 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.734 -12.397 -13.104 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -8.044 -11.137 -12.874 1.00 0.00 N ATOM 0 H HIS A 82 -4.324 -9.130 -10.510 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.580 -12.078 -10.337 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -4.095 -10.200 -12.668 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.859 -11.933 -12.771 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.843 -9.404 -12.285 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.424 -13.175 -13.395 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.979 -10.735 -12.941 1.00 0.00 H new ATOM 1333 N ALA A 83 -2.119 -10.701 -9.473 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.719 -10.777 -9.090 1.00 0.00 C ATOM 1335 C ALA A 83 -0.611 -11.163 -7.620 1.00 0.00 C ATOM 1336 O ALA A 83 -1.620 -11.492 -6.990 1.00 0.00 O ATOM 1337 CB ALA A 83 -0.027 -9.449 -9.347 1.00 0.00 C ATOM 0 H ALA A 83 -2.692 -10.132 -8.850 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.224 -11.539 -9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.021 -9.522 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.092 -9.204 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.512 -8.667 -8.763 1.00 0.00 H new ATOM 1343 N TYR A 84 0.597 -11.126 -7.076 1.00 0.00 N ATOM 1344 CA TYR A 84 0.796 -11.433 -5.663 1.00 0.00 C ATOM 1345 C TYR A 84 0.752 -10.164 -4.810 1.00 0.00 C ATOM 1346 O TYR A 84 0.031 -10.123 -3.806 1.00 0.00 O ATOM 1347 CB TYR A 84 2.109 -12.182 -5.437 1.00 0.00 C ATOM 1348 CG TYR A 84 2.154 -13.533 -6.114 1.00 0.00 C ATOM 1349 CD1 TYR A 84 1.262 -14.535 -5.757 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.079 -13.805 -7.116 1.00 0.00 C ATOM 1351 CE1 TYR A 84 1.289 -15.769 -6.375 1.00 0.00 C ATOM 1352 CE2 TYR A 84 3.110 -15.037 -7.742 1.00 0.00 C ATOM 1353 CZ TYR A 84 2.214 -16.015 -7.365 1.00 0.00 C ATOM 1354 OH TYR A 84 2.237 -17.245 -7.983 1.00 0.00 O ATOM 0 H TYR A 84 1.449 -10.889 -7.585 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.023 -12.082 -5.353 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.934 -11.572 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.263 -12.315 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.534 -14.346 -4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.784 -13.042 -7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.588 -16.537 -6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.831 -15.232 -8.522 1.00 0.00 H new ATOM 0 HH TYR A 84 2.946 -17.258 -8.659 1.00 0.00 H new ATOM 1364 N PRO A 85 1.547 -9.124 -5.153 1.00 0.00 N ATOM 1365 CA PRO A 85 1.454 -7.831 -4.508 1.00 0.00 C ATOM 1366 C PRO A 85 0.616 -6.839 -5.321 1.00 0.00 C ATOM 1367 O PRO A 85 0.640 -6.853 -6.555 1.00 0.00 O ATOM 1368 CB PRO A 85 2.916 -7.387 -4.458 1.00 0.00 C ATOM 1369 CG PRO A 85 3.579 -8.054 -5.629 1.00 0.00 C ATOM 1370 CD PRO A 85 2.635 -9.121 -6.142 1.00 0.00 C ATOM 0 HA PRO A 85 0.965 -7.877 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.999 -6.302 -4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.385 -7.685 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.797 -7.327 -6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.530 -8.495 -5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.268 -8.885 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.124 -10.093 -6.203 1.00 0.00 H new ATOM 1378 N THR A 86 -0.141 -5.998 -4.639 1.00 0.00 N ATOM 1379 CA THR A 86 -0.917 -4.961 -5.301 1.00 0.00 C ATOM 1380 C THR A 86 -1.084 -3.750 -4.390 1.00 0.00 C ATOM 1381 O THR A 86 -1.647 -3.847 -3.300 1.00 0.00 O ATOM 1382 CB THR A 86 -2.302 -5.485 -5.742 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.138 -6.534 -6.704 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.148 -4.374 -6.352 1.00 0.00 C ATOM 0 H THR A 86 -0.236 -6.012 -3.624 1.00 0.00 H new ATOM 0 HA THR A 86 -0.368 -4.661 -6.193 1.00 0.00 H new ATOM 0 HB THR A 86 -2.815 -5.863 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.184 -6.670 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.116 -4.776 -6.652 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.296 -3.583 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.639 -3.966 -7.225 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.588 -2.614 -4.843 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.656 -1.393 -4.062 1.00 0.00 C ATOM 1394 C LEU A 87 -1.901 -0.604 -4.442 1.00 0.00 C ATOM 1395 O LEU A 87 -2.060 -0.191 -5.591 1.00 0.00 O ATOM 1396 CB LEU A 87 0.599 -0.554 -4.291 1.00 0.00 C ATOM 1397 CG LEU A 87 1.922 -1.301 -4.096 1.00 0.00 C ATOM 1398 CD1 LEU A 87 3.098 -0.363 -4.297 1.00 0.00 C ATOM 1399 CD2 LEU A 87 1.984 -1.952 -2.719 1.00 0.00 C ATOM 0 H LEU A 87 -0.133 -2.511 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.713 -1.648 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.571 -0.155 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.577 0.298 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 87 1.978 -2.091 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.029 -0.911 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.069 0.046 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.042 0.451 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.933 -2.476 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.900 -1.185 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.163 -2.662 -2.615 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.787 -0.414 -3.481 1.00 0.00 N ATOM 1412 CA LEU A 88 -4.055 0.252 -3.737 1.00 0.00 C ATOM 1413 C LEU A 88 -4.037 1.680 -3.198 1.00 0.00 C ATOM 1414 O LEU A 88 -3.756 1.908 -2.020 1.00 0.00 O ATOM 1415 CB LEU A 88 -5.196 -0.546 -3.103 1.00 0.00 C ATOM 1416 CG LEU A 88 -6.606 -0.077 -3.460 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.849 -0.204 -4.955 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -7.639 -0.875 -2.680 1.00 0.00 C ATOM 0 H LEU A 88 -2.653 -0.711 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.212 0.302 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.094 -1.590 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.083 -0.509 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.702 0.974 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.858 0.135 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.126 0.408 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.737 -1.246 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.639 -0.531 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.543 -1.933 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.477 -0.734 -1.611 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.332 2.635 -4.072 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.316 4.043 -3.703 1.00 0.00 C ATOM 1432 C PHE A 89 -5.739 4.581 -3.610 1.00 0.00 C ATOM 1433 O PHE A 89 -6.454 4.664 -4.616 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.510 4.850 -4.725 1.00 0.00 C ATOM 1435 CG PHE A 89 -2.157 4.264 -5.011 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.104 4.456 -4.135 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.944 3.515 -6.156 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.138 3.913 -4.397 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.704 2.970 -6.425 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.339 3.170 -5.544 1.00 0.00 C ATOM 0 H PHE A 89 -4.586 2.458 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.841 4.142 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.075 4.913 -5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.387 5.869 -4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.255 5.037 -3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.758 3.355 -6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.952 4.069 -3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.551 2.389 -7.322 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.311 2.746 -5.751 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.147 4.941 -2.405 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.509 5.392 -2.163 1.00 0.00 C ATOM 1452 C ILE A 90 -7.510 6.794 -1.563 1.00 0.00 C ATOM 1453 O ILE A 90 -6.649 7.132 -0.751 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.247 4.419 -1.213 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.232 3.003 -1.793 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.678 4.874 -0.961 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.862 1.968 -0.889 1.00 0.00 C ATOM 0 H ILE A 90 -5.553 4.930 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.031 5.414 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.724 4.416 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.757 3.006 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.201 2.715 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.171 4.170 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.670 5.864 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.219 4.913 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.814 0.990 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.323 1.936 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -9.904 2.231 -0.705 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.463 7.616 -1.976 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.601 8.955 -1.416 1.00 0.00 C ATOM 1471 C ASN A 91 -9.574 8.946 -0.244 1.00 0.00 C ATOM 1472 O ASN A 91 -10.297 7.970 -0.040 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.054 9.974 -2.474 1.00 0.00 C ATOM 1474 CG ASN A 91 -10.260 9.535 -3.292 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -10.417 9.944 -4.443 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -11.114 8.703 -2.721 1.00 0.00 N ATOM 0 H ASN A 91 -9.150 7.383 -2.693 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.617 9.262 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.290 10.915 -1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.223 10.171 -3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.933 8.380 -3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.954 8.384 -1.766 1.00 0.00 H new ATOM 1483 N SER A 92 -9.614 10.047 0.495 1.00 0.00 N ATOM 1484 CA SER A 92 -10.439 10.152 1.694 1.00 0.00 C ATOM 1485 C SER A 92 -11.932 9.997 1.379 1.00 0.00 C ATOM 1486 O SER A 92 -12.722 9.648 2.256 1.00 0.00 O ATOM 1487 CB SER A 92 -10.178 11.499 2.367 1.00 0.00 C ATOM 1488 OG SER A 92 -8.783 11.762 2.442 1.00 0.00 O ATOM 0 H SER A 92 -9.079 10.889 0.283 1.00 0.00 H new ATOM 0 HA SER A 92 -10.167 9.339 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.673 12.293 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.608 11.500 3.369 1.00 0.00 H new ATOM 0 HG SER A 92 -8.636 12.629 2.874 1.00 0.00 H new ATOM 1494 N SER A 93 -12.314 10.233 0.125 1.00 0.00 N ATOM 1495 CA SER A 93 -13.716 10.164 -0.264 1.00 0.00 C ATOM 1496 C SER A 93 -14.177 8.720 -0.486 1.00 0.00 C ATOM 1497 O SER A 93 -15.331 8.472 -0.841 1.00 0.00 O ATOM 1498 CB SER A 93 -13.968 11.009 -1.515 1.00 0.00 C ATOM 1499 OG SER A 93 -13.062 10.674 -2.548 1.00 0.00 O ATOM 0 H SER A 93 -11.675 10.472 -0.633 1.00 0.00 H new ATOM 0 HA SER A 93 -14.304 10.570 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.990 10.856 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.869 12.066 -1.269 1.00 0.00 H new ATOM 0 HG SER A 93 -13.245 11.227 -3.336 1.00 0.00 H new ATOM 1505 N GLY A 94 -13.270 7.767 -0.293 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.648 6.366 -0.334 1.00 0.00 C ATOM 1507 C GLY A 94 -13.320 5.676 -1.647 1.00 0.00 C ATOM 1508 O GLY A 94 -12.998 4.488 -1.657 1.00 0.00 O ATOM 0 H GLY A 94 -12.282 7.940 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.144 5.840 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.719 6.284 -0.150 1.00 0.00 H new ATOM 1512 N GLU A 95 -13.405 6.405 -2.752 1.00 0.00 N ATOM 1513 CA GLU A 95 -13.177 5.813 -4.067 1.00 0.00 C ATOM 1514 C GLU A 95 -11.685 5.604 -4.351 1.00 0.00 C ATOM 1515 O GLU A 95 -10.820 6.166 -3.680 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.815 6.671 -5.164 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.321 8.108 -5.200 1.00 0.00 C ATOM 1518 CD GLU A 95 -13.884 8.877 -6.377 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -15.029 9.367 -6.280 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -13.182 8.994 -7.407 1.00 0.00 O ATOM 0 H GLU A 95 -13.628 7.400 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.651 4.831 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.620 6.208 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.896 6.674 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.600 8.610 -4.273 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.232 8.115 -5.251 1.00 0.00 H new ATOM 1527 N VAL A 96 -11.398 4.791 -5.356 1.00 0.00 N ATOM 1528 CA VAL A 96 -10.028 4.443 -5.707 1.00 0.00 C ATOM 1529 C VAL A 96 -9.552 5.267 -6.898 1.00 0.00 C ATOM 1530 O VAL A 96 -10.229 5.339 -7.924 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.922 2.934 -6.020 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.561 2.561 -6.588 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.209 2.131 -4.762 1.00 0.00 C ATOM 0 H VAL A 96 -12.104 4.355 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.386 4.669 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.663 2.698 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.533 1.491 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.389 3.112 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.784 2.813 -5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.134 1.067 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.485 2.392 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.215 2.357 -4.407 1.00 0.00 H new ATOM 1543 N VAL A 97 -8.400 5.908 -6.747 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.858 6.750 -7.803 1.00 0.00 C ATOM 1545 C VAL A 97 -6.981 5.942 -8.755 1.00 0.00 C ATOM 1546 O VAL A 97 -7.001 6.161 -9.967 1.00 0.00 O ATOM 1547 CB VAL A 97 -7.054 7.946 -7.240 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -7.970 8.893 -6.484 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -5.915 7.479 -6.341 1.00 0.00 C ATOM 0 H VAL A 97 -7.825 5.861 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.711 7.146 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.616 8.478 -8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.388 9.729 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.740 9.269 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.440 8.361 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.371 8.345 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.322 6.912 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.236 6.846 -6.913 1.00 0.00 H new ATOM 1559 N TYR A 98 -6.231 4.994 -8.205 1.00 0.00 N ATOM 1560 CA TYR A 98 -5.327 4.173 -8.997 1.00 0.00 C ATOM 1561 C TYR A 98 -4.923 2.927 -8.210 1.00 0.00 C ATOM 1562 O TYR A 98 -4.978 2.915 -6.980 1.00 0.00 O ATOM 1563 CB TYR A 98 -4.081 4.989 -9.395 1.00 0.00 C ATOM 1564 CG TYR A 98 -3.074 4.216 -10.223 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -3.299 3.962 -11.570 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.908 3.723 -9.649 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -2.389 3.239 -12.320 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.997 2.997 -10.391 1.00 0.00 C ATOM 1569 CZ TYR A 98 -1.243 2.756 -11.725 1.00 0.00 C ATOM 1570 OH TYR A 98 -0.342 2.026 -12.466 1.00 0.00 O ATOM 0 H TYR A 98 -6.232 4.775 -7.209 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.839 3.858 -9.906 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.399 5.867 -9.956 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.591 5.349 -8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.198 4.335 -12.039 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.711 3.911 -8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.576 3.054 -13.367 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.097 2.620 -9.928 1.00 0.00 H new ATOM 0 HH TYR A 98 0.411 1.761 -11.897 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.544 1.879 -8.924 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.042 0.665 -8.304 1.00 0.00 C ATOM 1582 C ARG A 99 -2.804 0.184 -9.046 1.00 0.00 C ATOM 1583 O ARG A 99 -2.755 0.216 -10.274 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.112 -0.428 -8.307 1.00 0.00 C ATOM 1585 CG ARG A 99 -5.643 -0.738 -9.693 1.00 0.00 C ATOM 1586 CD ARG A 99 -6.521 -1.977 -9.703 1.00 0.00 C ATOM 1587 NE ARG A 99 -5.767 -3.181 -9.359 1.00 0.00 N ATOM 1588 CZ ARG A 99 -5.328 -4.064 -10.257 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -5.496 -3.837 -11.558 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -4.697 -5.162 -9.853 1.00 0.00 N ATOM 0 H ARG A 99 -4.576 1.846 -9.943 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.781 0.885 -7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.696 -1.337 -7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.940 -0.120 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.215 0.114 -10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.807 -0.881 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.340 -1.847 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.968 -2.098 -10.690 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.565 -3.356 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.962 -2.985 -11.871 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.159 -4.515 -12.242 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.549 -5.328 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.361 -5.838 -10.538 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.804 -0.240 -8.299 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.567 -0.723 -8.886 1.00 0.00 C ATOM 1606 C LEU A 100 -0.478 -2.237 -8.757 1.00 0.00 C ATOM 1607 O LEU A 100 -0.316 -2.770 -7.659 1.00 0.00 O ATOM 1608 CB LEU A 100 0.641 -0.067 -8.211 1.00 0.00 C ATOM 1609 CG LEU A 100 2.005 -0.462 -8.786 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.115 -0.039 -10.242 1.00 0.00 C ATOM 1611 CD2 LEU A 100 3.129 0.151 -7.968 1.00 0.00 C ATOM 0 H LEU A 100 -1.823 -0.260 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.562 -0.457 -9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.534 1.015 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.625 -0.319 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 100 2.095 -1.547 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.091 -0.328 -10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.333 -0.527 -10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.001 1.042 -10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.089 -0.142 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.041 1.237 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.065 -0.202 -6.939 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.606 -2.927 -9.877 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.512 -4.376 -9.883 1.00 0.00 C ATOM 1625 C VAL A 101 0.951 -4.813 -9.994 1.00 0.00 C ATOM 1626 O VAL A 101 1.567 -4.747 -11.062 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.373 -5.003 -11.010 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -1.085 -4.361 -12.358 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.163 -6.508 -11.080 1.00 0.00 C ATOM 0 H VAL A 101 -0.775 -2.508 -10.792 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.911 -4.742 -8.937 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.418 -4.810 -10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.707 -4.826 -13.123 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.307 -3.295 -12.308 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.034 -4.501 -12.610 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.778 -6.924 -11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.113 -6.720 -11.282 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.448 -6.960 -10.130 1.00 0.00 H new ATOM 1639 N GLY A 102 1.509 -5.228 -8.868 1.00 0.00 N ATOM 1640 CA GLY A 102 2.908 -5.592 -8.815 1.00 0.00 C ATOM 1641 C GLY A 102 3.664 -4.745 -7.816 1.00 0.00 C ATOM 1642 O GLY A 102 3.054 -4.051 -7.002 1.00 0.00 O ATOM 0 H GLY A 102 1.012 -5.320 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.001 -6.644 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.353 -5.475 -9.803 1.00 0.00 H new ATOM 1646 N ALA A 103 4.983 -4.787 -7.881 1.00 0.00 N ATOM 1647 CA ALA A 103 5.816 -4.029 -6.961 1.00 0.00 C ATOM 1648 C ALA A 103 7.217 -3.852 -7.528 1.00 0.00 C ATOM 1649 O ALA A 103 7.941 -4.829 -7.732 1.00 0.00 O ATOM 1650 CB ALA A 103 5.879 -4.721 -5.604 1.00 0.00 C ATOM 0 H ALA A 103 5.503 -5.339 -8.563 1.00 0.00 H new ATOM 0 HA ALA A 103 5.369 -3.044 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.507 -4.140 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.874 -4.800 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.301 -5.719 -5.724 1.00 0.00 H new ATOM 1656 N GLU A 104 7.586 -2.611 -7.800 1.00 0.00 N ATOM 1657 CA GLU A 104 8.922 -2.302 -8.287 1.00 0.00 C ATOM 1658 C GLU A 104 9.885 -2.128 -7.119 1.00 0.00 C ATOM 1659 O GLU A 104 9.464 -2.062 -5.963 1.00 0.00 O ATOM 1660 CB GLU A 104 8.909 -1.034 -9.148 1.00 0.00 C ATOM 1661 CG GLU A 104 8.543 -1.267 -10.608 1.00 0.00 C ATOM 1662 CD GLU A 104 7.172 -1.880 -10.802 1.00 0.00 C ATOM 1663 OE1 GLU A 104 7.070 -3.124 -10.824 1.00 0.00 O ATOM 1664 OE2 GLU A 104 6.193 -1.121 -10.962 1.00 0.00 O ATOM 0 H GLU A 104 6.978 -1.799 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 104 9.259 -3.135 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.202 -0.325 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.894 -0.569 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.585 -0.316 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.290 -1.919 -11.061 1.00 0.00 H new ATOM 1671 N ASP A 105 11.175 -2.058 -7.427 1.00 0.00 N ATOM 1672 CA ASP A 105 12.203 -1.883 -6.407 1.00 0.00 C ATOM 1673 C ASP A 105 12.120 -0.475 -5.814 1.00 0.00 C ATOM 1674 O ASP A 105 11.359 0.357 -6.304 1.00 0.00 O ATOM 1675 CB ASP A 105 13.590 -2.139 -7.004 1.00 0.00 C ATOM 1676 CG ASP A 105 14.617 -2.524 -5.956 1.00 0.00 C ATOM 1677 OD1 ASP A 105 14.752 -3.735 -5.669 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.294 -1.622 -5.421 1.00 0.00 O ATOM 0 H ASP A 105 11.535 -2.120 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 105 12.036 -2.605 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.520 -2.933 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.927 -1.243 -7.526 1.00 0.00 H new ATOM 1683 N ALA A 106 12.930 -0.205 -4.794 1.00 0.00 N ATOM 1684 CA ALA A 106 12.813 1.020 -3.993 1.00 0.00 C ATOM 1685 C ALA A 106 12.696 2.304 -4.832 1.00 0.00 C ATOM 1686 O ALA A 106 11.742 3.065 -4.646 1.00 0.00 O ATOM 1687 CB ALA A 106 13.969 1.122 -3.002 1.00 0.00 C ATOM 0 H ALA A 106 13.685 -0.823 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 106 11.873 0.937 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.867 2.036 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.954 0.260 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.913 1.143 -3.546 1.00 0.00 H new ATOM 1693 N PRO A 107 13.636 2.581 -5.768 1.00 0.00 N ATOM 1694 CA PRO A 107 13.589 3.807 -6.573 1.00 0.00 C ATOM 1695 C PRO A 107 12.351 3.865 -7.461 1.00 0.00 C ATOM 1696 O PRO A 107 11.645 4.875 -7.495 1.00 0.00 O ATOM 1697 CB PRO A 107 14.857 3.741 -7.436 1.00 0.00 C ATOM 1698 CG PRO A 107 15.729 2.732 -6.772 1.00 0.00 C ATOM 1699 CD PRO A 107 14.799 1.749 -6.128 1.00 0.00 C ATOM 0 HA PRO A 107 13.540 4.695 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.622 3.446 -8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.348 4.712 -7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.378 2.240 -7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.376 3.201 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.525 0.945 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.248 1.282 -5.251 1.00 0.00 H new ATOM 1707 N GLU A 108 12.077 2.769 -8.160 1.00 0.00 N ATOM 1708 CA GLU A 108 10.972 2.721 -9.101 1.00 0.00 C ATOM 1709 C GLU A 108 9.631 2.788 -8.377 1.00 0.00 C ATOM 1710 O GLU A 108 8.693 3.416 -8.858 1.00 0.00 O ATOM 1711 CB GLU A 108 11.055 1.449 -9.936 1.00 0.00 C ATOM 1712 CG GLU A 108 12.308 1.358 -10.785 1.00 0.00 C ATOM 1713 CD GLU A 108 12.440 2.521 -11.745 1.00 0.00 C ATOM 1714 OE1 GLU A 108 11.668 2.578 -12.726 1.00 0.00 O ATOM 1715 OE2 GLU A 108 13.323 3.375 -11.529 1.00 0.00 O ATOM 0 H GLU A 108 12.609 1.901 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 108 11.045 3.588 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.013 0.586 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.182 1.394 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.182 1.326 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.295 0.425 -11.348 1.00 0.00 H new ATOM 1722 N LEU A 109 9.553 2.149 -7.216 1.00 0.00 N ATOM 1723 CA LEU A 109 8.325 2.126 -6.425 1.00 0.00 C ATOM 1724 C LEU A 109 7.930 3.545 -6.033 1.00 0.00 C ATOM 1725 O LEU A 109 6.774 3.942 -6.184 1.00 0.00 O ATOM 1726 CB LEU A 109 8.520 1.258 -5.170 1.00 0.00 C ATOM 1727 CG LEU A 109 7.249 0.626 -4.578 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.357 1.670 -3.916 1.00 0.00 C ATOM 1729 CD2 LEU A 109 6.483 -0.123 -5.656 1.00 0.00 C ATOM 0 H LEU A 109 10.330 1.637 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 109 7.525 1.694 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.220 0.458 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.989 1.870 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 109 7.556 -0.079 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.469 1.185 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.905 2.158 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.058 2.414 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.586 -0.566 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.200 0.569 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.113 -0.911 -6.069 1.00 0.00 H new ATOM 1741 N LEU A 110 8.906 4.307 -5.552 1.00 0.00 N ATOM 1742 CA LEU A 110 8.674 5.690 -5.144 1.00 0.00 C ATOM 1743 C LEU A 110 8.224 6.535 -6.335 1.00 0.00 C ATOM 1744 O LEU A 110 7.436 7.472 -6.190 1.00 0.00 O ATOM 1745 CB LEU A 110 9.946 6.277 -4.525 1.00 0.00 C ATOM 1746 CG LEU A 110 9.799 7.679 -3.928 1.00 0.00 C ATOM 1747 CD1 LEU A 110 8.781 7.674 -2.793 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.147 8.191 -3.441 1.00 0.00 C ATOM 0 H LEU A 110 9.868 3.990 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 110 7.881 5.702 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.294 5.602 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.722 6.306 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 110 9.437 8.351 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.690 8.679 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.813 7.349 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.111 6.990 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.026 9.189 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.537 7.519 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.844 8.233 -4.278 1.00 0.00 H new ATOM 1760 N LYS A 111 8.722 6.189 -7.513 1.00 0.00 N ATOM 1761 CA LYS A 111 8.344 6.879 -8.736 1.00 0.00 C ATOM 1762 C LYS A 111 6.921 6.500 -9.145 1.00 0.00 C ATOM 1763 O LYS A 111 6.127 7.357 -9.537 1.00 0.00 O ATOM 1764 CB LYS A 111 9.341 6.545 -9.851 1.00 0.00 C ATOM 1765 CG LYS A 111 9.059 7.239 -11.176 1.00 0.00 C ATOM 1766 CD LYS A 111 10.229 7.085 -12.134 1.00 0.00 C ATOM 1767 CE LYS A 111 9.966 7.772 -13.465 1.00 0.00 C ATOM 1768 NZ LYS A 111 9.029 7.000 -14.321 1.00 0.00 N ATOM 0 H LYS A 111 9.391 5.431 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 111 8.368 7.954 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.343 6.816 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.340 5.467 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 111 8.159 6.819 -11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.864 8.297 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 111 11.127 7.504 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.422 6.026 -12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.555 8.765 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.909 7.909 -13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 8.880 7.507 -15.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 9.431 6.061 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 8.119 6.891 -13.829 1.00 0.00 H new ATOM 1782 N LYS A 112 6.600 5.216 -9.026 1.00 0.00 N ATOM 1783 CA LYS A 112 5.281 4.711 -9.395 1.00 0.00 C ATOM 1784 C LYS A 112 4.197 5.292 -8.496 1.00 0.00 C ATOM 1785 O LYS A 112 3.147 5.706 -8.978 1.00 0.00 O ATOM 1786 CB LYS A 112 5.243 3.181 -9.317 1.00 0.00 C ATOM 1787 CG LYS A 112 6.172 2.487 -10.300 1.00 0.00 C ATOM 1788 CD LYS A 112 5.786 2.753 -11.750 1.00 0.00 C ATOM 1789 CE LYS A 112 4.395 2.229 -12.067 1.00 0.00 C ATOM 1790 NZ LYS A 112 4.115 2.241 -13.529 1.00 0.00 N ATOM 0 H LYS A 112 7.239 4.502 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 112 5.089 5.022 -10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.506 2.873 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.222 2.844 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.194 2.826 -10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.157 1.413 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.825 3.825 -11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.512 2.281 -12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.295 1.212 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.652 2.837 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.157 1.876 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.185 3.215 -13.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.808 1.641 -14.020 1.00 0.00 H new ATOM 1804 N VAL A 113 4.452 5.323 -7.190 1.00 0.00 N ATOM 1805 CA VAL A 113 3.463 5.829 -6.244 1.00 0.00 C ATOM 1806 C VAL A 113 3.234 7.328 -6.439 1.00 0.00 C ATOM 1807 O VAL A 113 2.095 7.796 -6.417 1.00 0.00 O ATOM 1808 CB VAL A 113 3.847 5.531 -4.768 1.00 0.00 C ATOM 1809 CG1 VAL A 113 5.200 6.119 -4.412 1.00 0.00 C ATOM 1810 CG2 VAL A 113 2.781 6.048 -3.813 1.00 0.00 C ATOM 0 H VAL A 113 5.325 5.007 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 113 2.534 5.299 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 113 3.913 4.448 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.434 5.890 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.965 5.690 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.174 7.200 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.074 5.827 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.674 7.126 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.830 5.562 -4.032 1.00 0.00 H new ATOM 1820 N LYS A 114 4.309 8.078 -6.660 1.00 0.00 N ATOM 1821 CA LYS A 114 4.197 9.518 -6.839 1.00 0.00 C ATOM 1822 C LYS A 114 3.448 9.854 -8.126 1.00 0.00 C ATOM 1823 O LYS A 114 2.478 10.609 -8.107 1.00 0.00 O ATOM 1824 CB LYS A 114 5.582 10.175 -6.836 1.00 0.00 C ATOM 1825 CG LYS A 114 5.534 11.696 -6.922 1.00 0.00 C ATOM 1826 CD LYS A 114 4.733 12.300 -5.784 1.00 0.00 C ATOM 1827 CE LYS A 114 5.429 12.131 -4.451 1.00 0.00 C ATOM 1828 NZ LYS A 114 6.585 13.053 -4.295 1.00 0.00 N ATOM 0 H LYS A 114 5.260 7.714 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 114 3.625 9.916 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.110 9.887 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.160 9.790 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.549 12.093 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.093 11.992 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.571 13.361 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.750 11.830 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.715 12.308 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.773 11.101 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.805 13.166 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.412 12.659 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.348 13.980 -4.703 1.00 0.00 H new ATOM 1842 N LEU A 115 3.885 9.272 -9.234 1.00 0.00 N ATOM 1843 CA LEU A 115 3.292 9.564 -10.535 1.00 0.00 C ATOM 1844 C LEU A 115 1.948 8.863 -10.708 1.00 0.00 C ATOM 1845 O LEU A 115 1.199 9.164 -11.637 1.00 0.00 O ATOM 1846 CB LEU A 115 4.254 9.169 -11.658 1.00 0.00 C ATOM 1847 CG LEU A 115 5.519 10.025 -11.747 1.00 0.00 C ATOM 1848 CD1 LEU A 115 6.445 9.505 -12.830 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.154 11.478 -12.011 1.00 0.00 C ATOM 0 H LEU A 115 4.648 8.595 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 115 3.112 10.638 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.545 8.128 -11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.724 9.228 -12.609 1.00 0.00 H new ATOM 0 HG LEU A 115 6.044 9.964 -10.793 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.338 10.129 -12.876 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.731 8.478 -12.602 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.933 9.534 -13.792 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.063 12.076 -12.072 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.608 11.551 -12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.529 11.850 -11.199 1.00 0.00 H new ATOM 1861 N GLY A 116 1.655 7.923 -9.821 1.00 0.00 N ATOM 1862 CA GLY A 116 0.350 7.294 -9.813 1.00 0.00 C ATOM 1863 C GLY A 116 -0.704 8.218 -9.243 1.00 0.00 C ATOM 1864 O GLY A 116 -1.846 8.236 -9.706 1.00 0.00 O ATOM 0 H GLY A 116 2.299 7.584 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.075 7.009 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.390 6.378 -9.224 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.314 8.988 -8.234 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.199 9.975 -7.628 1.00 0.00 C ATOM 1870 C VAL A 117 -1.159 11.274 -8.430 1.00 0.00 C ATOM 1871 O VAL A 117 -2.169 11.960 -8.584 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.813 10.254 -6.157 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.764 11.256 -5.518 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.792 8.958 -5.360 1.00 0.00 C ATOM 0 H VAL A 117 0.616 8.947 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.211 9.570 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 117 0.187 10.688 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.467 11.432 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.728 12.195 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.779 10.860 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.519 9.171 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.780 8.498 -5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.062 8.275 -5.795 1.00 0.00 H new ATOM 1884 N GLU A 118 0.021 11.605 -8.940 1.00 0.00 N ATOM 1885 CA GLU A 118 0.183 12.760 -9.810 1.00 0.00 C ATOM 1886 C GLU A 118 -0.166 12.359 -11.242 1.00 0.00 C ATOM 1887 O GLU A 118 0.708 12.213 -12.101 1.00 0.00 O ATOM 1888 CB GLU A 118 1.617 13.298 -9.721 1.00 0.00 C ATOM 1889 CG GLU A 118 1.824 14.643 -10.398 1.00 0.00 C ATOM 1890 CD GLU A 118 3.246 15.150 -10.254 1.00 0.00 C ATOM 1891 OE1 GLU A 118 3.588 15.677 -9.174 1.00 0.00 O ATOM 1892 OE2 GLU A 118 4.033 15.023 -11.218 1.00 0.00 O ATOM 0 H GLU A 118 0.882 11.087 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.489 13.557 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 118 1.895 13.387 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 118 2.294 12.571 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.578 14.556 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.136 15.372 -9.970 1.00 0.00 H new