USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 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 101 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 42 CYS SG : rot 8:sc= -1.4 USER MOD Set 2.2: A 66 ASN : amide:sc= -1.65 K(o=-3.1,f=-3.8!) USER MOD Set 3.1: A 30 ASN :FLIP amide:sc= 0.675 F(o=-1.4!,f=1.6) USER MOD Set 3.2: A 32 SER OG : rot -73:sc= 0.849 USER MOD Set 3.3: A 34 SER OG : rot 101:sc= 0.0302 USER MOD Set 4.1: A 23 TYR OH : rot -175:sc= 0.842 USER MOD Set 4.2: A 46 HIS : no HD1:sc= -1.76! K(o=-0.92!,f=-3.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.832 X(o=-0.83,f=-0.4) USER MOD Single : A 11 MET CE :methyl -160:sc= -0.0564 (180deg=-0.385) USER MOD Single : A 16 CYS SG : rot -16:sc= -3.81 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 82:sc= 1.13 USER MOD Single : A 25 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -42:sc= 0.998 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -6.72! C(o=-6.7!,f=-7.7!) USER MOD Single : A 55 TYR OH : rot 173:sc= -0.143 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 62 ASN : amide:sc= -0.0359 X(o=-0.036,f=-0.33) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.571 F(o=-3.2!,f=-0.57) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -69:sc= 0.916 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00696 USER MOD Single : A 77 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-6.6!) USER MOD Single : A 80 CYS SG : rot -135:sc= -1.35 USER MOD Single : A 82 GLN : amide:sc= -2.97! C(o=-3!,f=-6.8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 89 MET CE :methyl -160:sc= -1.08 (180deg=-2.83!) USER MOD Single : A 98 LYS NZ :NH3+ -136:sc= 0.502 (180deg=-0.0613) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.432 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 64:sc= 0.314 USER MOD Single : A 113 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.16) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.230 -9.821 1.788 1.00 0.00 N ATOM 67 CA ILE A 8 -11.698 -8.543 1.331 1.00 0.00 C ATOM 68 C ILE A 8 -10.179 -8.591 1.212 1.00 0.00 C ATOM 69 O ILE A 8 -9.598 -8.011 0.294 1.00 0.00 O ATOM 70 CB ILE A 8 -12.092 -7.397 2.281 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.593 -7.442 2.575 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.704 -6.054 1.681 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.015 -6.528 3.704 1.00 0.00 C ATOM 0 HA ILE A 8 -12.131 -8.354 0.349 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.553 -7.522 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.140 -7.168 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.876 -8.465 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.989 -5.254 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.627 -6.026 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.218 -5.919 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.091 -6.611 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.495 -6.815 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.763 -5.498 3.452 1.00 0.00 H new ATOM 85 N LYS A 9 -9.539 -9.287 2.146 1.00 0.00 N ATOM 86 CA LYS A 9 -8.087 -9.414 2.146 1.00 0.00 C ATOM 87 C LYS A 9 -7.577 -9.829 0.769 1.00 0.00 C ATOM 88 O LYS A 9 -6.415 -9.600 0.434 1.00 0.00 O ATOM 89 CB LYS A 9 -7.644 -10.437 3.195 1.00 0.00 C ATOM 90 CG LYS A 9 -6.266 -10.159 3.771 1.00 0.00 C ATOM 91 CD LYS A 9 -6.342 -9.250 4.986 1.00 0.00 C ATOM 92 CE LYS A 9 -6.718 -10.025 6.240 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.121 -9.120 7.351 1.00 0.00 N ATOM 0 H LYS A 9 -10.004 -9.772 2.913 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.662 -8.441 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.372 -10.451 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.647 -11.430 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.790 -11.100 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.639 -9.697 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.380 -8.759 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.077 -8.465 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.536 -10.708 6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.872 -10.635 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.370 -9.686 8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.331 -8.485 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.944 -8.556 7.058 1.00 0.00 H new ATOM 107 N GLN A 10 -8.453 -10.439 -0.022 1.00 0.00 N ATOM 108 CA GLN A 10 -8.091 -10.884 -1.363 1.00 0.00 C ATOM 109 C GLN A 10 -8.199 -9.739 -2.364 1.00 0.00 C ATOM 110 O GLN A 10 -7.194 -9.276 -2.904 1.00 0.00 O ATOM 111 CB GLN A 10 -8.987 -12.044 -1.797 1.00 0.00 C ATOM 112 CG GLN A 10 -8.415 -13.413 -1.466 1.00 0.00 C ATOM 113 CD GLN A 10 -7.089 -13.673 -2.153 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.048 -14.113 -3.303 1.00 0.00 O ATOM 115 NE2 GLN A 10 -5.994 -13.402 -1.451 1.00 0.00 N ATOM 0 H GLN A 10 -9.418 -10.637 0.242 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.056 -11.224 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.960 -11.940 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.155 -11.980 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.283 -13.496 -0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.129 -14.182 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.074 -13.039 -0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.073 -13.557 -1.862 1.00 0.00 H new ATOM 124 N MET A 11 -9.425 -9.287 -2.609 1.00 0.00 N ATOM 125 CA MET A 11 -9.664 -8.196 -3.546 1.00 0.00 C ATOM 126 C MET A 11 -8.577 -7.132 -3.430 1.00 0.00 C ATOM 127 O MET A 11 -8.204 -6.500 -4.419 1.00 0.00 O ATOM 128 CB MET A 11 -11.036 -7.569 -3.293 1.00 0.00 C ATOM 129 CG MET A 11 -11.081 -6.684 -2.057 1.00 0.00 C ATOM 130 SD MET A 11 -12.467 -5.530 -2.080 1.00 0.00 S ATOM 131 CE MET A 11 -11.926 -4.376 -3.339 1.00 0.00 C ATOM 0 H MET A 11 -10.268 -9.660 -2.172 1.00 0.00 H new ATOM 0 HA MET A 11 -9.641 -8.606 -4.556 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.323 -6.979 -4.163 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.776 -8.363 -3.189 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.150 -7.311 -1.168 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.149 -6.125 -1.981 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.470 -3.438 -3.230 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.858 -4.191 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.121 -4.796 -4.326 1.00 0.00 H new ATOM 141 N LEU A 12 -8.072 -6.938 -2.216 1.00 0.00 N ATOM 142 CA LEU A 12 -7.027 -5.950 -1.971 1.00 0.00 C ATOM 143 C LEU A 12 -5.713 -6.375 -2.619 1.00 0.00 C ATOM 144 O LEU A 12 -5.055 -5.580 -3.292 1.00 0.00 O ATOM 145 CB LEU A 12 -6.827 -5.753 -0.467 1.00 0.00 C ATOM 146 CG LEU A 12 -7.950 -5.022 0.269 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.632 -4.911 1.752 1.00 0.00 C ATOM 148 CD2 LEU A 12 -8.174 -3.643 -0.335 1.00 0.00 C ATOM 0 H LEU A 12 -8.369 -7.452 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.342 -5.006 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.695 -6.732 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.900 -5.201 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.868 -5.599 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.442 -4.388 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.522 -5.909 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.703 -4.356 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.977 -3.137 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.258 -3.057 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.448 -3.746 -1.385 1.00 0.00 H new ATOM 160 N LEU A 13 -5.337 -7.632 -2.414 1.00 0.00 N ATOM 161 CA LEU A 13 -4.103 -8.164 -2.980 1.00 0.00 C ATOM 162 C LEU A 13 -4.178 -8.210 -4.503 1.00 0.00 C ATOM 163 O LEU A 13 -3.161 -8.098 -5.188 1.00 0.00 O ATOM 164 CB LEU A 13 -3.827 -9.564 -2.429 1.00 0.00 C ATOM 165 CG LEU A 13 -2.366 -10.016 -2.445 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.650 -9.551 -1.187 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.278 -11.529 -2.583 1.00 0.00 C ATOM 0 H LEU A 13 -5.869 -8.302 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.286 -7.501 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.188 -9.606 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.414 -10.281 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.874 -9.563 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.612 -9.882 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.683 -8.463 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.141 -9.974 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.231 -11.833 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.785 -12.001 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.754 -11.838 -3.514 1.00 0.00 H new ATOM 179 N ASP A 14 -5.388 -8.374 -5.026 1.00 0.00 N ATOM 180 CA ASP A 14 -5.597 -8.431 -6.468 1.00 0.00 C ATOM 181 C ASP A 14 -5.609 -7.030 -7.071 1.00 0.00 C ATOM 182 O ASP A 14 -5.293 -6.847 -8.247 1.00 0.00 O ATOM 183 CB ASP A 14 -6.909 -9.149 -6.787 1.00 0.00 C ATOM 184 CG ASP A 14 -6.875 -9.846 -8.132 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.764 -10.071 -8.657 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.960 -10.168 -8.661 1.00 0.00 O ATOM 0 H ASP A 14 -6.239 -8.470 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.771 -8.989 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.118 -9.881 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.727 -8.428 -6.775 1.00 0.00 H new ATOM 191 N TRP A 15 -5.978 -6.046 -6.260 1.00 0.00 N ATOM 192 CA TRP A 15 -6.033 -4.661 -6.715 1.00 0.00 C ATOM 193 C TRP A 15 -4.644 -4.030 -6.710 1.00 0.00 C ATOM 194 O TRP A 15 -4.189 -3.502 -7.724 1.00 0.00 O ATOM 195 CB TRP A 15 -6.978 -3.849 -5.828 1.00 0.00 C ATOM 196 CG TRP A 15 -6.869 -2.369 -6.042 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.563 -1.618 -6.947 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.013 -1.463 -5.337 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.190 -0.299 -6.848 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.241 -0.178 -5.867 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.078 -1.611 -4.310 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.567 0.949 -5.403 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.409 -0.492 -3.851 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.657 0.774 -4.396 1.00 0.00 C ATOM 0 H TRP A 15 -6.244 -6.181 -5.284 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.410 -4.655 -7.738 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.004 -4.162 -6.021 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.767 -4.074 -4.783 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.297 -2.004 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.560 0.466 -7.413 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.881 -2.583 -3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.756 1.926 -5.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.683 -0.596 -3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.119 1.629 -4.014 1.00 0.00 H new ATOM 215 N CYS A 16 -3.977 -4.090 -5.563 1.00 0.00 N ATOM 216 CA CYS A 16 -2.639 -3.524 -5.427 1.00 0.00 C ATOM 217 C CYS A 16 -1.789 -3.836 -6.654 1.00 0.00 C ATOM 218 O CYS A 16 -1.154 -2.948 -7.223 1.00 0.00 O ATOM 219 CB CYS A 16 -1.959 -4.067 -4.169 1.00 0.00 C ATOM 220 SG CYS A 16 -1.852 -5.871 -4.108 1.00 0.00 S ATOM 0 H CYS A 16 -4.340 -4.524 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.736 -2.442 -5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.953 -3.652 -4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.505 -3.716 -3.293 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.665 -6.384 -4.984 1.00 0.00 H new ATOM 226 N ARG A 17 -1.781 -5.102 -7.056 1.00 0.00 N ATOM 227 CA ARG A 17 -1.007 -5.532 -8.214 1.00 0.00 C ATOM 228 C ARG A 17 -1.434 -4.771 -9.466 1.00 0.00 C ATOM 229 O ARG A 17 -0.606 -4.182 -10.159 1.00 0.00 O ATOM 230 CB ARG A 17 -1.173 -7.036 -8.437 1.00 0.00 C ATOM 231 CG ARG A 17 -0.449 -7.888 -7.407 1.00 0.00 C ATOM 232 CD ARG A 17 -1.142 -9.226 -7.203 1.00 0.00 C ATOM 233 NE ARG A 17 -0.737 -10.210 -8.203 1.00 0.00 N ATOM 234 CZ ARG A 17 -1.318 -11.396 -8.344 1.00 0.00 C ATOM 235 NH1 ARG A 17 -2.325 -11.743 -7.554 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.892 -12.238 -9.277 1.00 0.00 N ATOM 0 H ARG A 17 -2.302 -5.849 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 17 0.043 -5.315 -8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.235 -7.282 -8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.804 -7.290 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.579 -8.055 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.403 -7.353 -6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.912 -9.605 -6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.222 -9.086 -7.249 1.00 0.00 H new ATOM 0 HE ARG A 17 0.034 -9.974 -8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.655 -11.098 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.769 -12.654 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.118 -11.975 -9.887 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.339 -13.149 -9.385 1.00 0.00 H new ATOM 250 N ALA A 18 -2.733 -4.790 -9.749 1.00 0.00 N ATOM 251 CA ALA A 18 -3.270 -4.101 -10.916 1.00 0.00 C ATOM 252 C ALA A 18 -2.758 -2.667 -10.991 1.00 0.00 C ATOM 253 O ALA A 18 -2.656 -2.089 -12.073 1.00 0.00 O ATOM 254 CB ALA A 18 -4.791 -4.119 -10.885 1.00 0.00 C ATOM 0 H ALA A 18 -3.432 -5.275 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.929 -4.628 -11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.179 -3.601 -11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.143 -5.151 -10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.142 -3.618 -9.983 1.00 0.00 H new ATOM 260 N LYS A 19 -2.436 -2.097 -9.835 1.00 0.00 N ATOM 261 CA LYS A 19 -1.933 -0.730 -9.769 1.00 0.00 C ATOM 262 C LYS A 19 -0.417 -0.715 -9.599 1.00 0.00 C ATOM 263 O LYS A 19 0.237 0.298 -9.849 1.00 0.00 O ATOM 264 CB LYS A 19 -2.594 0.023 -8.612 1.00 0.00 C ATOM 265 CG LYS A 19 -4.111 0.036 -8.681 1.00 0.00 C ATOM 266 CD LYS A 19 -4.612 0.965 -9.774 1.00 0.00 C ATOM 267 CE LYS A 19 -6.043 0.638 -10.171 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.736 1.814 -10.768 1.00 0.00 N ATOM 0 H LYS A 19 -2.515 -2.561 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.180 -0.233 -10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.286 -0.432 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.230 1.051 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.476 -0.974 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.517 0.351 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.556 1.998 -9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.964 0.885 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.042 -0.185 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.594 0.298 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.709 1.550 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.759 2.591 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.225 2.123 -11.619 1.00 0.00 H new ATOM 282 N THR A 20 0.137 -1.846 -9.173 1.00 0.00 N ATOM 283 CA THR A 20 1.575 -1.963 -8.971 1.00 0.00 C ATOM 284 C THR A 20 2.172 -3.035 -9.875 1.00 0.00 C ATOM 285 O THR A 20 3.133 -3.710 -9.503 1.00 0.00 O ATOM 286 CB THR A 20 1.911 -2.299 -7.505 1.00 0.00 C ATOM 287 OG1 THR A 20 1.045 -1.573 -6.626 1.00 0.00 O ATOM 288 CG2 THR A 20 3.360 -1.961 -7.191 1.00 0.00 C ATOM 0 H THR A 20 -0.389 -2.694 -8.961 1.00 0.00 H new ATOM 0 HA THR A 20 2.009 -0.996 -9.223 1.00 0.00 H new ATOM 0 HB THR A 20 1.764 -3.369 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.190 -2.046 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.574 -2.207 -6.151 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.017 -2.537 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.529 -0.897 -7.354 1.00 0.00 H new ATOM 296 N ARG A 21 1.598 -3.187 -11.064 1.00 0.00 N ATOM 297 CA ARG A 21 2.074 -4.178 -12.021 1.00 0.00 C ATOM 298 C ARG A 21 3.086 -3.563 -12.984 1.00 0.00 C ATOM 299 O ARG A 21 3.067 -2.358 -13.233 1.00 0.00 O ATOM 300 CB ARG A 21 0.900 -4.766 -12.806 1.00 0.00 C ATOM 301 CG ARG A 21 -0.124 -3.728 -13.238 1.00 0.00 C ATOM 302 CD ARG A 21 -0.942 -4.214 -14.424 1.00 0.00 C ATOM 303 NE ARG A 21 -1.706 -3.133 -15.041 1.00 0.00 N ATOM 304 CZ ARG A 21 -2.265 -3.222 -16.243 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.147 -4.335 -16.953 1.00 0.00 N ATOM 306 NH2 ARG A 21 -2.945 -2.195 -16.737 1.00 0.00 N ATOM 0 H ARG A 21 0.803 -2.636 -11.387 1.00 0.00 H new ATOM 0 HA ARG A 21 2.566 -4.976 -11.464 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.284 -5.276 -13.690 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.405 -5.519 -12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.789 -3.502 -12.404 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.385 -2.801 -13.501 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.277 -4.657 -15.166 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.624 -4.999 -14.097 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.816 -2.263 -14.521 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.626 -5.127 -16.577 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.578 -4.400 -17.875 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.039 -1.337 -16.194 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.374 -2.264 -17.660 1.00 0.00 H new ATOM 320 N GLY A 22 3.968 -4.399 -13.522 1.00 0.00 N ATOM 321 CA GLY A 22 4.975 -3.919 -14.450 1.00 0.00 C ATOM 322 C GLY A 22 6.182 -3.333 -13.744 1.00 0.00 C ATOM 323 O GLY A 22 7.311 -3.466 -14.217 1.00 0.00 O ATOM 0 H GLY A 22 4.003 -5.400 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.296 -4.741 -15.090 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.535 -3.162 -15.099 1.00 0.00 H new ATOM 327 N TYR A 23 5.944 -2.683 -12.611 1.00 0.00 N ATOM 328 CA TYR A 23 7.020 -2.071 -11.841 1.00 0.00 C ATOM 329 C TYR A 23 8.137 -3.075 -11.572 1.00 0.00 C ATOM 330 O TYR A 23 7.902 -4.148 -11.018 1.00 0.00 O ATOM 331 CB TYR A 23 6.482 -1.525 -10.517 1.00 0.00 C ATOM 332 CG TYR A 23 5.752 -0.208 -10.658 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.419 -0.169 -11.051 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.393 0.996 -10.398 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.748 1.031 -11.182 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.729 2.201 -10.524 1.00 0.00 C ATOM 337 CZ TYR A 23 4.407 2.213 -10.917 1.00 0.00 C ATOM 338 OH TYR A 23 3.743 3.412 -11.045 1.00 0.00 O ATOM 0 H TYR A 23 5.016 -2.566 -12.205 1.00 0.00 H new ATOM 0 HA TYR A 23 7.428 -1.248 -12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.807 -2.260 -10.078 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.312 -1.398 -9.822 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.899 -1.093 -11.257 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.429 0.990 -10.092 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.713 1.044 -11.490 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.242 3.128 -10.316 1.00 0.00 H new ATOM 0 HH TYR A 23 4.371 4.151 -10.900 1.00 0.00 H new ATOM 348 N GLU A 24 9.354 -2.717 -11.970 1.00 0.00 N ATOM 349 CA GLU A 24 10.508 -3.586 -11.773 1.00 0.00 C ATOM 350 C GLU A 24 10.921 -3.618 -10.305 1.00 0.00 C ATOM 351 O GLU A 24 10.670 -2.672 -9.557 1.00 0.00 O ATOM 352 CB GLU A 24 11.682 -3.115 -12.635 1.00 0.00 C ATOM 353 CG GLU A 24 12.767 -4.164 -12.811 1.00 0.00 C ATOM 354 CD GLU A 24 12.385 -5.236 -13.813 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.172 -5.447 -14.022 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.298 -5.863 -14.389 1.00 0.00 O ATOM 0 H GLU A 24 9.566 -1.832 -12.430 1.00 0.00 H new ATOM 0 HA GLU A 24 10.227 -4.595 -12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.307 -2.824 -13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.119 -2.224 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.687 -3.679 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.976 -4.630 -11.848 1.00 0.00 H new ATOM 363 N HIS A 25 11.555 -4.713 -9.898 1.00 0.00 N ATOM 364 CA HIS A 25 12.003 -4.869 -8.519 1.00 0.00 C ATOM 365 C HIS A 25 10.829 -4.766 -7.551 1.00 0.00 C ATOM 366 O HIS A 25 10.991 -4.352 -6.403 1.00 0.00 O ATOM 367 CB HIS A 25 13.053 -3.811 -8.179 1.00 0.00 C ATOM 368 CG HIS A 25 14.020 -3.546 -9.292 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.626 -4.550 -10.017 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.483 -2.382 -9.804 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.421 -4.016 -10.926 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.352 -2.701 -10.819 1.00 0.00 N ATOM 0 H HIS A 25 11.770 -5.505 -10.503 1.00 0.00 H new ATOM 0 HA HIS A 25 12.449 -5.859 -8.418 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.548 -2.881 -7.918 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.607 -4.131 -7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.219 -1.388 -9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.025 -4.561 -11.636 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.861 -2.032 -11.396 1.00 0.00 H new ATOM 381 N VAL A 26 9.645 -5.146 -8.022 1.00 0.00 N ATOM 382 CA VAL A 26 8.443 -5.096 -7.198 1.00 0.00 C ATOM 383 C VAL A 26 7.564 -6.319 -7.435 1.00 0.00 C ATOM 384 O VAL A 26 7.423 -6.786 -8.566 1.00 0.00 O ATOM 385 CB VAL A 26 7.621 -3.825 -7.480 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.310 -3.854 -6.709 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.426 -2.582 -7.132 1.00 0.00 C ATOM 0 H VAL A 26 9.493 -5.492 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 26 8.772 -5.083 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 26 7.388 -3.793 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.743 -2.948 -6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.729 -4.725 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.518 -3.910 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.830 -1.693 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.691 -2.605 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.334 -2.557 -7.734 1.00 0.00 H new ATOM 397 N ASP A 27 6.974 -6.834 -6.362 1.00 0.00 N ATOM 398 CA ASP A 27 6.107 -8.003 -6.453 1.00 0.00 C ATOM 399 C ASP A 27 5.291 -8.174 -5.175 1.00 0.00 C ATOM 400 O ASP A 27 5.842 -8.441 -4.107 1.00 0.00 O ATOM 401 CB ASP A 27 6.936 -9.261 -6.716 1.00 0.00 C ATOM 402 CG ASP A 27 6.179 -10.532 -6.388 1.00 0.00 C ATOM 403 OD1 ASP A 27 5.269 -10.899 -7.162 1.00 0.00 O ATOM 404 OD2 ASP A 27 6.496 -11.162 -5.357 1.00 0.00 O ATOM 0 H ASP A 27 7.080 -6.460 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 27 5.419 -7.851 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.238 -9.281 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.849 -9.222 -6.122 1.00 0.00 H new ATOM 409 N ILE A 28 3.977 -8.019 -5.293 1.00 0.00 N ATOM 410 CA ILE A 28 3.086 -8.156 -4.148 1.00 0.00 C ATOM 411 C ILE A 28 2.425 -9.531 -4.128 1.00 0.00 C ATOM 412 O ILE A 28 1.452 -9.772 -4.842 1.00 0.00 O ATOM 413 CB ILE A 28 1.991 -7.073 -4.152 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.620 -5.682 -4.258 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.136 -7.179 -2.898 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.615 -4.583 -4.522 1.00 0.00 C ATOM 0 H ILE A 28 3.506 -7.798 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 28 3.700 -8.036 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 28 1.350 -7.229 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.153 -5.462 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.360 -5.687 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.367 -6.407 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.664 -8.161 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.764 -7.045 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.131 -3.625 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.099 -4.780 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.889 -4.551 -3.710 1.00 0.00 H new ATOM 428 N GLN A 29 2.959 -10.426 -3.303 1.00 0.00 N ATOM 429 CA GLN A 29 2.419 -11.776 -3.189 1.00 0.00 C ATOM 430 C GLN A 29 1.578 -11.921 -1.925 1.00 0.00 C ATOM 431 O GLN A 29 0.624 -12.696 -1.889 1.00 0.00 O ATOM 432 CB GLN A 29 3.554 -12.802 -3.182 1.00 0.00 C ATOM 433 CG GLN A 29 3.077 -14.235 -3.014 1.00 0.00 C ATOM 434 CD GLN A 29 2.556 -14.833 -4.306 1.00 0.00 C ATOM 435 OE1 GLN A 29 1.389 -14.657 -4.659 1.00 0.00 O ATOM 436 NE2 GLN A 29 3.420 -15.544 -5.020 1.00 0.00 N ATOM 0 H GLN A 29 3.764 -10.241 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 29 1.778 -11.959 -4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.112 -12.721 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.246 -12.561 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.899 -14.846 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.290 -14.266 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.378 -15.664 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.126 -15.970 -5.899 1.00 0.00 H new ATOM 445 N ASN A 30 1.940 -11.170 -0.890 1.00 0.00 N ATOM 446 CA ASN A 30 1.219 -11.217 0.377 1.00 0.00 C ATOM 447 C ASN A 30 1.674 -10.092 1.303 1.00 0.00 C ATOM 448 O ASN A 30 2.764 -9.544 1.142 1.00 0.00 O ATOM 449 CB ASN A 30 1.430 -12.570 1.058 1.00 0.00 C ATOM 450 CG ASN A 30 2.832 -13.109 0.852 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.828 -12.245 1.012 1.00 0.00 O flip ATOM 452 ND2 ASN A 30 3.018 -14.289 0.553 1.00 0.00 N flip ATOM 0 H ASN A 30 2.728 -10.522 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 30 0.157 -11.085 0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.235 -12.470 2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.707 -13.287 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.223 -14.918 0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.967 -14.637 0.418 1.00 0.00 H new ATOM 459 N PHE A 31 0.830 -9.754 2.272 1.00 0.00 N ATOM 460 CA PHE A 31 1.144 -8.695 3.224 1.00 0.00 C ATOM 461 C PHE A 31 1.958 -9.239 4.394 1.00 0.00 C ATOM 462 O PHE A 31 1.621 -9.014 5.557 1.00 0.00 O ATOM 463 CB PHE A 31 -0.142 -8.047 3.741 1.00 0.00 C ATOM 464 CG PHE A 31 -1.153 -7.779 2.663 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.149 -6.577 1.974 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.109 -8.729 2.339 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.078 -6.327 0.981 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.039 -8.485 1.347 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.025 -7.282 0.668 1.00 0.00 C ATOM 0 H PHE A 31 -0.077 -10.198 2.419 1.00 0.00 H new ATOM 0 HA PHE A 31 1.740 -7.942 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.589 -8.696 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.107 -7.108 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.411 -5.826 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.127 -9.670 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.063 -5.386 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.777 -9.235 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.753 -7.089 -0.106 1.00 0.00 H new ATOM 479 N SER A 32 3.031 -9.958 4.078 1.00 0.00 N ATOM 480 CA SER A 32 3.891 -10.538 5.102 1.00 0.00 C ATOM 481 C SER A 32 5.264 -9.872 5.100 1.00 0.00 C ATOM 482 O SER A 32 5.584 -9.083 5.989 1.00 0.00 O ATOM 483 CB SER A 32 4.042 -12.044 4.877 1.00 0.00 C ATOM 484 OG SER A 32 4.676 -12.314 3.639 1.00 0.00 O ATOM 0 H SER A 32 3.325 -10.152 3.121 1.00 0.00 H new ATOM 0 HA SER A 32 3.425 -10.367 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.624 -12.480 5.689 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.061 -12.518 4.898 1.00 0.00 H new ATOM 0 HG SER A 32 4.052 -12.132 2.905 1.00 0.00 H new ATOM 490 N SER A 33 6.070 -10.197 4.095 1.00 0.00 N ATOM 491 CA SER A 33 7.410 -9.633 3.978 1.00 0.00 C ATOM 492 C SER A 33 7.684 -9.176 2.548 1.00 0.00 C ATOM 493 O SER A 33 8.834 -9.116 2.114 1.00 0.00 O ATOM 494 CB SER A 33 8.458 -10.663 4.405 1.00 0.00 C ATOM 495 OG SER A 33 9.763 -10.110 4.364 1.00 0.00 O ATOM 0 H SER A 33 5.819 -10.847 3.350 1.00 0.00 H new ATOM 0 HA SER A 33 7.472 -8.767 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.239 -11.012 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.407 -11.532 3.749 1.00 0.00 H new ATOM 0 HG SER A 33 9.866 -9.574 3.550 1.00 0.00 H new ATOM 501 N SER A 34 6.619 -8.853 1.822 1.00 0.00 N ATOM 502 CA SER A 34 6.743 -8.404 0.441 1.00 0.00 C ATOM 503 C SER A 34 6.922 -6.890 0.375 1.00 0.00 C ATOM 504 O SER A 34 7.365 -6.350 -0.638 1.00 0.00 O ATOM 505 CB SER A 34 5.509 -8.818 -0.365 1.00 0.00 C ATOM 506 OG SER A 34 5.607 -10.165 -0.792 1.00 0.00 O ATOM 0 H SER A 34 5.660 -8.894 2.168 1.00 0.00 H new ATOM 0 HA SER A 34 7.626 -8.876 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.614 -8.690 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.401 -8.166 -1.231 1.00 0.00 H new ATOM 0 HG SER A 34 5.069 -10.735 -0.204 1.00 0.00 H new ATOM 512 N TRP A 35 6.575 -6.212 1.463 1.00 0.00 N ATOM 513 CA TRP A 35 6.698 -4.761 1.531 1.00 0.00 C ATOM 514 C TRP A 35 7.971 -4.356 2.265 1.00 0.00 C ATOM 515 O TRP A 35 8.504 -3.267 2.048 1.00 0.00 O ATOM 516 CB TRP A 35 5.478 -4.157 2.228 1.00 0.00 C ATOM 517 CG TRP A 35 4.175 -4.611 1.644 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.552 -5.807 1.858 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.336 -3.875 0.747 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.377 -5.859 1.149 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.221 -4.686 0.460 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.417 -2.609 0.160 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.198 -4.271 -0.389 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.401 -2.199 -0.682 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.303 -3.027 -0.950 1.00 0.00 C ATOM 0 H TRP A 35 6.206 -6.644 2.310 1.00 0.00 H new ATOM 0 HA TRP A 35 6.752 -4.378 0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.505 -4.420 3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.536 -3.070 2.168 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.928 -6.596 2.492 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.726 -6.644 1.138 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.259 -1.963 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.351 -4.908 -0.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.454 -1.223 -1.142 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.525 -2.677 -1.612 1.00 0.00 H new ATOM 536 N SER A 36 8.454 -5.238 3.134 1.00 0.00 N ATOM 537 CA SER A 36 9.664 -4.969 3.903 1.00 0.00 C ATOM 538 C SER A 36 10.751 -4.372 3.015 1.00 0.00 C ATOM 539 O SER A 36 11.521 -3.515 3.449 1.00 0.00 O ATOM 540 CB SER A 36 10.173 -6.255 4.558 1.00 0.00 C ATOM 541 OG SER A 36 11.416 -6.040 5.205 1.00 0.00 O ATOM 0 H SER A 36 8.027 -6.145 3.323 1.00 0.00 H new ATOM 0 HA SER A 36 9.418 -4.246 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.440 -6.613 5.281 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.282 -7.033 3.803 1.00 0.00 H new ATOM 0 HG SER A 36 11.719 -6.876 5.617 1.00 0.00 H new ATOM 547 N ASP A 37 10.807 -4.831 1.770 1.00 0.00 N ATOM 548 CA ASP A 37 11.799 -4.342 0.819 1.00 0.00 C ATOM 549 C ASP A 37 11.788 -2.818 0.758 1.00 0.00 C ATOM 550 O ASP A 37 12.825 -2.173 0.908 1.00 0.00 O ATOM 551 CB ASP A 37 11.532 -4.922 -0.571 1.00 0.00 C ATOM 552 CG ASP A 37 11.951 -6.375 -0.682 1.00 0.00 C ATOM 553 OD1 ASP A 37 11.179 -7.251 -0.237 1.00 0.00 O ATOM 554 OD2 ASP A 37 13.049 -6.637 -1.215 1.00 0.00 O ATOM 0 H ASP A 37 10.178 -5.541 1.395 1.00 0.00 H new ATOM 0 HA ASP A 37 12.783 -4.667 1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.470 -4.835 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.068 -4.334 -1.316 1.00 0.00 H new ATOM 559 N GLY A 38 10.608 -2.247 0.536 1.00 0.00 N ATOM 560 CA GLY A 38 10.485 -0.803 0.458 1.00 0.00 C ATOM 561 C GLY A 38 9.842 -0.345 -0.836 1.00 0.00 C ATOM 562 O GLY A 38 8.715 0.148 -0.836 1.00 0.00 O ATOM 0 H GLY A 38 9.735 -2.759 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.893 -0.446 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.473 -0.352 0.549 1.00 0.00 H new ATOM 566 N MET A 39 10.561 -0.507 -1.942 1.00 0.00 N ATOM 567 CA MET A 39 10.053 -0.106 -3.249 1.00 0.00 C ATOM 568 C MET A 39 8.571 -0.443 -3.383 1.00 0.00 C ATOM 569 O MET A 39 7.791 0.347 -3.914 1.00 0.00 O ATOM 570 CB MET A 39 10.847 -0.793 -4.362 1.00 0.00 C ATOM 571 CG MET A 39 12.328 -0.454 -4.349 1.00 0.00 C ATOM 572 SD MET A 39 12.665 1.213 -4.949 1.00 0.00 S ATOM 573 CE MET A 39 13.401 0.857 -6.543 1.00 0.00 C ATOM 0 H MET A 39 11.497 -0.913 -1.959 1.00 0.00 H new ATOM 0 HA MET A 39 10.172 0.974 -3.341 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.729 -1.873 -4.268 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.426 -0.509 -5.326 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.711 -0.555 -3.333 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.867 -1.174 -4.965 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.665 1.791 -7.039 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.299 0.255 -6.403 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.688 0.308 -7.159 1.00 0.00 H new ATOM 583 N ALA A 40 8.191 -1.621 -2.900 1.00 0.00 N ATOM 584 CA ALA A 40 6.802 -2.061 -2.965 1.00 0.00 C ATOM 585 C ALA A 40 5.850 -0.927 -2.602 1.00 0.00 C ATOM 586 O ALA A 40 4.996 -0.540 -3.401 1.00 0.00 O ATOM 587 CB ALA A 40 6.583 -3.252 -2.044 1.00 0.00 C ATOM 0 H ALA A 40 8.825 -2.288 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 40 6.590 -2.364 -3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.542 -3.570 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.231 -4.073 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.819 -2.967 -1.019 1.00 0.00 H new ATOM 593 N PHE A 41 6.000 -0.398 -1.392 1.00 0.00 N ATOM 594 CA PHE A 41 5.151 0.691 -0.923 1.00 0.00 C ATOM 595 C PHE A 41 5.192 1.869 -1.892 1.00 0.00 C ATOM 596 O PHE A 41 4.163 2.473 -2.196 1.00 0.00 O ATOM 597 CB PHE A 41 5.592 1.147 0.469 1.00 0.00 C ATOM 598 CG PHE A 41 4.917 0.402 1.585 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.536 0.396 1.695 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.663 -0.290 2.525 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.911 -0.288 2.721 1.00 0.00 C ATOM 602 CE2 PHE A 41 5.044 -0.976 3.553 1.00 0.00 C ATOM 603 CZ PHE A 41 3.666 -0.975 3.651 1.00 0.00 C ATOM 0 H PHE A 41 6.702 -0.706 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 41 4.127 0.322 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.671 1.021 0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.385 2.212 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.941 0.932 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.741 -0.294 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.834 -0.285 2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.637 -1.512 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.180 -1.510 4.453 1.00 0.00 H new ATOM 613 N CYS A 42 6.388 2.189 -2.374 1.00 0.00 N ATOM 614 CA CYS A 42 6.565 3.295 -3.308 1.00 0.00 C ATOM 615 C CYS A 42 5.730 3.083 -4.567 1.00 0.00 C ATOM 616 O CYS A 42 4.753 3.793 -4.803 1.00 0.00 O ATOM 617 CB CYS A 42 8.041 3.445 -3.680 1.00 0.00 C ATOM 618 SG CYS A 42 9.120 3.825 -2.280 1.00 0.00 S ATOM 0 H CYS A 42 7.249 1.698 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 42 6.226 4.208 -2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.382 2.522 -4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.138 4.235 -4.425 1.00 0.00 H new ATOM 0 HG CYS A 42 8.444 3.732 -1.173 1.00 0.00 H new ATOM 624 N ALA A 43 6.123 2.102 -5.373 1.00 0.00 N ATOM 625 CA ALA A 43 5.411 1.796 -6.608 1.00 0.00 C ATOM 626 C ALA A 43 3.912 2.027 -6.449 1.00 0.00 C ATOM 627 O ALA A 43 3.337 2.906 -7.092 1.00 0.00 O ATOM 628 CB ALA A 43 5.684 0.361 -7.032 1.00 0.00 C ATOM 0 H ALA A 43 6.931 1.506 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 43 5.775 2.468 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.146 0.146 -7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.753 0.227 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.348 -0.320 -6.250 1.00 0.00 H new ATOM 634 N LEU A 44 3.284 1.233 -5.589 1.00 0.00 N ATOM 635 CA LEU A 44 1.851 1.350 -5.346 1.00 0.00 C ATOM 636 C LEU A 44 1.410 2.810 -5.380 1.00 0.00 C ATOM 637 O LEU A 44 0.422 3.157 -6.027 1.00 0.00 O ATOM 638 CB LEU A 44 1.490 0.728 -3.995 1.00 0.00 C ATOM 639 CG LEU A 44 0.031 0.869 -3.560 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.821 -0.225 -4.184 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.079 0.833 -2.043 1.00 0.00 C ATOM 0 H LEU A 44 3.745 0.501 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 44 1.329 0.813 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.737 -0.333 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.122 1.179 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.340 1.833 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.856 -0.108 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.768 -0.152 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.451 -1.200 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.124 0.935 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.311 -0.115 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.498 1.654 -1.617 1.00 0.00 H new ATOM 653 N VAL A 45 2.152 3.663 -4.680 1.00 0.00 N ATOM 654 CA VAL A 45 1.840 5.087 -4.632 1.00 0.00 C ATOM 655 C VAL A 45 2.130 5.757 -5.970 1.00 0.00 C ATOM 656 O VAL A 45 1.233 6.314 -6.605 1.00 0.00 O ATOM 657 CB VAL A 45 2.643 5.800 -3.528 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.331 7.289 -3.519 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.352 5.178 -2.171 1.00 0.00 C ATOM 0 H VAL A 45 2.973 3.393 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 45 0.776 5.172 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 45 3.705 5.676 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.907 7.777 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.595 7.722 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.267 7.437 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.928 5.694 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.289 5.269 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.631 4.124 -2.186 1.00 0.00 H new ATOM 669 N HIS A 46 3.388 5.701 -6.394 1.00 0.00 N ATOM 670 CA HIS A 46 3.797 6.303 -7.659 1.00 0.00 C ATOM 671 C HIS A 46 2.722 6.110 -8.724 1.00 0.00 C ATOM 672 O HIS A 46 2.442 7.016 -9.508 1.00 0.00 O ATOM 673 CB HIS A 46 5.117 5.695 -8.134 1.00 0.00 C ATOM 674 CG HIS A 46 5.663 6.341 -9.370 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.655 5.730 -10.605 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.235 7.554 -9.555 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.200 6.538 -11.498 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.560 7.652 -10.886 1.00 0.00 N ATOM 0 H HIS A 46 4.142 5.245 -5.881 1.00 0.00 H new ATOM 0 HA HIS A 46 3.936 7.372 -7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.854 5.777 -7.335 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.970 4.632 -8.324 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.404 8.305 -8.797 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.329 6.324 -12.549 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.007 8.454 -11.330 1.00 0.00 H new ATOM 687 N ASN A 47 2.123 4.924 -8.746 1.00 0.00 N ATOM 688 CA ASN A 47 1.079 4.612 -9.716 1.00 0.00 C ATOM 689 C ASN A 47 -0.008 5.682 -9.708 1.00 0.00 C ATOM 690 O ASN A 47 -0.428 6.164 -10.760 1.00 0.00 O ATOM 691 CB ASN A 47 0.466 3.243 -9.414 1.00 0.00 C ATOM 692 CG ASN A 47 -0.973 3.139 -9.882 1.00 0.00 C ATOM 693 OD1 ASN A 47 -1.903 3.171 -9.076 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.162 3.012 -11.190 1.00 0.00 N ATOM 0 H ASN A 47 2.342 4.163 -8.103 1.00 0.00 H new ATOM 0 HA ASN A 47 1.533 4.588 -10.707 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.060 2.467 -9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.511 3.056 -8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.108 2.936 -11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.361 2.990 -11.821 1.00 0.00 H new ATOM 701 N PHE A 48 -0.460 6.049 -8.513 1.00 0.00 N ATOM 702 CA PHE A 48 -1.499 7.062 -8.367 1.00 0.00 C ATOM 703 C PHE A 48 -0.932 8.460 -8.593 1.00 0.00 C ATOM 704 O PHE A 48 -1.422 9.214 -9.434 1.00 0.00 O ATOM 705 CB PHE A 48 -2.134 6.975 -6.978 1.00 0.00 C ATOM 706 CG PHE A 48 -2.141 5.586 -6.408 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.741 4.543 -7.096 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.547 5.322 -5.184 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.749 3.264 -6.573 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.552 4.044 -4.656 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.153 3.014 -5.352 1.00 0.00 C ATOM 0 H PHE A 48 -0.123 5.660 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.263 6.873 -9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.595 7.635 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.159 7.342 -7.032 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.207 4.732 -8.052 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.075 6.124 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.221 2.460 -7.118 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.086 3.852 -3.701 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.157 2.015 -4.943 1.00 0.00 H new ATOM 721 N PHE A 49 0.105 8.801 -7.834 1.00 0.00 N ATOM 722 CA PHE A 49 0.740 10.108 -7.949 1.00 0.00 C ATOM 723 C PHE A 49 2.205 9.968 -8.351 1.00 0.00 C ATOM 724 O PHE A 49 3.104 9.927 -7.511 1.00 0.00 O ATOM 725 CB PHE A 49 0.633 10.869 -6.626 1.00 0.00 C ATOM 726 CG PHE A 49 -0.708 10.732 -5.963 1.00 0.00 C ATOM 727 CD1 PHE A 49 -0.965 9.677 -5.102 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.711 11.657 -6.201 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.197 9.548 -4.490 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.946 11.533 -5.591 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.189 10.477 -4.735 1.00 0.00 C ATOM 0 H PHE A 49 0.523 8.190 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 49 0.221 10.669 -8.726 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.404 10.509 -5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.834 11.925 -6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.193 8.947 -4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.527 12.484 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.384 8.721 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.720 12.261 -5.784 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.153 10.378 -4.258 1.00 0.00 H new ATOM 741 N PRO A 50 2.453 9.893 -9.667 1.00 0.00 N ATOM 742 CA PRO A 50 3.807 9.757 -10.211 1.00 0.00 C ATOM 743 C PRO A 50 4.636 11.024 -10.028 1.00 0.00 C ATOM 744 O PRO A 50 5.806 10.961 -9.652 1.00 0.00 O ATOM 745 CB PRO A 50 3.566 9.486 -11.698 1.00 0.00 C ATOM 746 CG PRO A 50 2.237 10.095 -11.984 1.00 0.00 C ATOM 747 CD PRO A 50 1.430 9.937 -10.725 1.00 0.00 C ATOM 0 HA PRO A 50 4.372 8.973 -9.707 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.347 9.933 -12.313 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.565 8.417 -11.910 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.339 11.146 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.752 9.597 -12.824 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.740 10.769 -10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.831 9.026 -10.743 1.00 0.00 H new ATOM 755 N GLU A 51 4.022 12.171 -10.297 1.00 0.00 N ATOM 756 CA GLU A 51 4.704 13.453 -10.162 1.00 0.00 C ATOM 757 C GLU A 51 5.042 13.738 -8.701 1.00 0.00 C ATOM 758 O GLU A 51 6.122 14.238 -8.389 1.00 0.00 O ATOM 759 CB GLU A 51 3.837 14.580 -10.725 1.00 0.00 C ATOM 760 CG GLU A 51 2.484 14.705 -10.045 1.00 0.00 C ATOM 761 CD GLU A 51 1.558 15.670 -10.761 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.741 16.895 -10.604 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.651 15.199 -11.478 1.00 0.00 O ATOM 0 H GLU A 51 3.054 12.239 -10.610 1.00 0.00 H new ATOM 0 HA GLU A 51 5.633 13.402 -10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.373 15.524 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.684 14.412 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.013 13.723 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.627 15.040 -9.018 1.00 0.00 H new ATOM 770 N ALA A 52 4.109 13.416 -7.810 1.00 0.00 N ATOM 771 CA ALA A 52 4.308 13.635 -6.383 1.00 0.00 C ATOM 772 C ALA A 52 5.742 13.319 -5.973 1.00 0.00 C ATOM 773 O ALA A 52 6.335 14.025 -5.157 1.00 0.00 O ATOM 774 CB ALA A 52 3.329 12.793 -5.579 1.00 0.00 C ATOM 0 H ALA A 52 3.208 13.003 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 52 4.123 14.688 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.489 12.966 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.308 13.070 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.487 11.738 -5.803 1.00 0.00 H new ATOM 780 N PHE A 53 6.295 12.254 -6.544 1.00 0.00 N ATOM 781 CA PHE A 53 7.660 11.843 -6.236 1.00 0.00 C ATOM 782 C PHE A 53 8.213 10.933 -7.328 1.00 0.00 C ATOM 783 O PHE A 53 7.459 10.268 -8.039 1.00 0.00 O ATOM 784 CB PHE A 53 7.707 11.125 -4.886 1.00 0.00 C ATOM 785 CG PHE A 53 7.166 9.725 -4.932 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.812 9.497 -5.117 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.011 8.637 -4.791 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.311 8.209 -5.160 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.517 7.346 -4.834 1.00 0.00 C ATOM 790 CZ PHE A 53 6.165 7.133 -5.019 1.00 0.00 C ATOM 0 H PHE A 53 5.819 11.660 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 53 8.280 12.738 -6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.738 11.096 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.138 11.702 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.140 10.335 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.069 8.799 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.253 8.045 -5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.187 6.506 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.776 6.126 -5.053 1.00 0.00 H new ATOM 800 N ASP A 54 9.535 10.909 -7.456 1.00 0.00 N ATOM 801 CA ASP A 54 10.191 10.081 -8.461 1.00 0.00 C ATOM 802 C ASP A 54 10.434 8.672 -7.930 1.00 0.00 C ATOM 803 O ASP A 54 11.009 8.493 -6.856 1.00 0.00 O ATOM 804 CB ASP A 54 11.516 10.713 -8.889 1.00 0.00 C ATOM 805 CG ASP A 54 11.323 11.868 -9.851 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.769 11.641 -10.947 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.724 13.000 -9.508 1.00 0.00 O ATOM 0 H ASP A 54 10.173 11.454 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 54 9.533 10.015 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.049 11.065 -8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.142 9.954 -9.358 1.00 0.00 H new ATOM 812 N TYR A 55 9.991 7.675 -8.687 1.00 0.00 N ATOM 813 CA TYR A 55 10.157 6.281 -8.291 1.00 0.00 C ATOM 814 C TYR A 55 11.493 5.731 -8.780 1.00 0.00 C ATOM 815 O TYR A 55 12.084 4.853 -8.152 1.00 0.00 O ATOM 816 CB TYR A 55 9.010 5.432 -8.842 1.00 0.00 C ATOM 817 CG TYR A 55 9.316 3.952 -8.877 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.263 3.184 -7.720 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.658 3.321 -10.067 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.542 1.831 -7.747 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.937 1.968 -10.103 1.00 0.00 C ATOM 822 CZ TYR A 55 9.878 1.228 -8.941 1.00 0.00 C ATOM 823 OH TYR A 55 10.156 -0.119 -8.973 1.00 0.00 O ATOM 0 H TYR A 55 9.514 7.806 -9.579 1.00 0.00 H new ATOM 0 HA TYR A 55 10.143 6.235 -7.202 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.122 5.597 -8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.771 5.769 -9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.999 3.653 -6.784 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.707 3.898 -10.979 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.497 1.249 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.200 1.493 -11.036 1.00 0.00 H new ATOM 0 HH TYR A 55 10.258 -0.410 -9.903 1.00 0.00 H new ATOM 833 N GLY A 56 11.964 6.255 -9.908 1.00 0.00 N ATOM 834 CA GLY A 56 13.227 5.806 -10.464 1.00 0.00 C ATOM 835 C GLY A 56 14.421 6.442 -9.780 1.00 0.00 C ATOM 836 O GLY A 56 15.566 6.102 -10.074 1.00 0.00 O ATOM 0 H GLY A 56 11.493 6.982 -10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.295 4.722 -10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.255 6.039 -11.528 1.00 0.00 H new ATOM 840 N GLN A 57 14.153 7.369 -8.866 1.00 0.00 N ATOM 841 CA GLN A 57 15.215 8.056 -8.140 1.00 0.00 C ATOM 842 C GLN A 57 15.590 7.293 -6.874 1.00 0.00 C ATOM 843 O GLN A 57 16.731 7.355 -6.414 1.00 0.00 O ATOM 844 CB GLN A 57 14.780 9.479 -7.784 1.00 0.00 C ATOM 845 CG GLN A 57 14.721 10.414 -8.980 1.00 0.00 C ATOM 846 CD GLN A 57 16.050 11.088 -9.260 1.00 0.00 C ATOM 847 OE1 GLN A 57 17.027 10.433 -9.626 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.094 12.404 -9.090 1.00 0.00 N ATOM 0 H GLN A 57 13.210 7.662 -8.611 1.00 0.00 H new ATOM 0 HA GLN A 57 16.092 8.103 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.798 9.443 -7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.472 9.888 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.410 9.852 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.962 11.176 -8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.261 12.907 -8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.961 12.912 -9.264 1.00 0.00 H new ATOM 857 N LEU A 58 14.623 6.575 -6.313 1.00 0.00 N ATOM 858 CA LEU A 58 14.851 5.801 -5.099 1.00 0.00 C ATOM 859 C LEU A 58 15.711 4.574 -5.389 1.00 0.00 C ATOM 860 O LEU A 58 15.920 4.210 -6.546 1.00 0.00 O ATOM 861 CB LEU A 58 13.517 5.369 -4.487 1.00 0.00 C ATOM 862 CG LEU A 58 12.518 6.490 -4.198 1.00 0.00 C ATOM 863 CD1 LEU A 58 11.098 5.945 -4.167 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.855 7.181 -2.885 1.00 0.00 C ATOM 0 H LEU A 58 13.673 6.513 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 58 15.381 6.435 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.045 4.654 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.721 4.842 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 58 12.586 7.226 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.401 6.757 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.859 5.498 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.016 5.188 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.133 7.976 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.817 6.456 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.856 7.607 -2.945 1.00 0.00 H new ATOM 876 N SER A 59 16.204 3.940 -4.330 1.00 0.00 N ATOM 877 CA SER A 59 17.043 2.755 -4.470 1.00 0.00 C ATOM 878 C SER A 59 16.532 1.621 -3.588 1.00 0.00 C ATOM 879 O SER A 59 15.923 1.841 -2.540 1.00 0.00 O ATOM 880 CB SER A 59 18.492 3.084 -4.110 1.00 0.00 C ATOM 881 OG SER A 59 19.132 3.789 -5.160 1.00 0.00 O ATOM 0 H SER A 59 16.037 4.227 -3.366 1.00 0.00 H new ATOM 0 HA SER A 59 17.000 2.431 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.517 3.682 -3.199 1.00 0.00 H new ATOM 0 HB3 SER A 59 19.036 2.163 -3.902 1.00 0.00 H new ATOM 0 HG SER A 59 20.057 3.989 -4.904 1.00 0.00 H new ATOM 887 N PRO A 60 16.785 0.376 -4.019 1.00 0.00 N ATOM 888 CA PRO A 60 16.361 -0.818 -3.284 1.00 0.00 C ATOM 889 C PRO A 60 17.137 -1.006 -1.985 1.00 0.00 C ATOM 890 O PRO A 60 16.648 -1.630 -1.044 1.00 0.00 O ATOM 891 CB PRO A 60 16.663 -1.960 -4.257 1.00 0.00 C ATOM 892 CG PRO A 60 17.753 -1.437 -5.128 1.00 0.00 C ATOM 893 CD PRO A 60 17.506 0.040 -5.259 1.00 0.00 C ATOM 0 HA PRO A 60 15.315 -0.761 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.977 -2.859 -3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.782 -2.226 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.731 -1.632 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.740 -1.923 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.439 0.597 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.913 0.272 -6.144 1.00 0.00 H new ATOM 901 N GLN A 61 18.349 -0.461 -1.941 1.00 0.00 N ATOM 902 CA GLN A 61 19.192 -0.570 -0.757 1.00 0.00 C ATOM 903 C GLN A 61 18.619 0.247 0.396 1.00 0.00 C ATOM 904 O GLN A 61 18.898 -0.027 1.563 1.00 0.00 O ATOM 905 CB GLN A 61 20.614 -0.101 -1.073 1.00 0.00 C ATOM 906 CG GLN A 61 21.637 -0.511 -0.026 1.00 0.00 C ATOM 907 CD GLN A 61 23.063 -0.401 -0.528 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.436 -1.033 -1.517 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.869 0.406 0.152 1.00 0.00 N ATOM 0 H GLN A 61 18.768 0.060 -2.711 1.00 0.00 H new ATOM 0 HA GLN A 61 19.220 -1.617 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.914 -0.505 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.617 0.985 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.518 0.116 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.443 -1.538 0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.517 0.910 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.840 0.521 -0.140 1.00 0.00 H new ATOM 918 N ASN A 62 17.817 1.253 0.061 1.00 0.00 N ATOM 919 CA ASN A 62 17.205 2.111 1.069 1.00 0.00 C ATOM 920 C ASN A 62 15.946 1.466 1.640 1.00 0.00 C ATOM 921 O ASN A 62 14.939 1.324 0.946 1.00 0.00 O ATOM 922 CB ASN A 62 16.865 3.476 0.469 1.00 0.00 C ATOM 923 CG ASN A 62 18.017 4.457 0.575 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.618 4.613 1.638 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.329 5.125 -0.530 1.00 0.00 N ATOM 0 H ASN A 62 17.576 1.494 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 62 17.922 2.246 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.593 3.352 -0.579 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.993 3.887 0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.094 5.799 -0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.803 4.964 -1.389 1.00 0.00 H new ATOM 932 N ARG A 63 16.009 1.079 2.910 1.00 0.00 N ATOM 933 CA ARG A 63 14.875 0.449 3.575 1.00 0.00 C ATOM 934 C ARG A 63 13.958 1.498 4.197 1.00 0.00 C ATOM 935 O ARG A 63 12.740 1.326 4.240 1.00 0.00 O ATOM 936 CB ARG A 63 15.362 -0.521 4.652 1.00 0.00 C ATOM 937 CG ARG A 63 16.002 -1.781 4.093 1.00 0.00 C ATOM 938 CD ARG A 63 17.474 -1.564 3.775 1.00 0.00 C ATOM 939 NE ARG A 63 18.327 -1.827 4.931 1.00 0.00 N ATOM 940 CZ ARG A 63 18.686 -3.046 5.318 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.269 -4.108 4.644 1.00 0.00 N ATOM 942 NH2 ARG A 63 19.465 -3.203 6.381 1.00 0.00 N ATOM 0 H ARG A 63 16.834 1.191 3.499 1.00 0.00 H new ATOM 0 HA ARG A 63 14.309 -0.105 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.083 -0.010 5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.519 -0.801 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.900 -2.593 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.475 -2.088 3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.767 -2.216 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.625 -0.538 3.439 1.00 0.00 H new ATOM 0 HE ARG A 63 18.666 -1.031 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.671 -3.990 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.546 -5.043 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 63 19.788 -2.387 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.740 -4.139 6.678 1.00 0.00 H new ATOM 956 N ARG A 64 14.552 2.585 4.678 1.00 0.00 N ATOM 957 CA ARG A 64 13.790 3.661 5.300 1.00 0.00 C ATOM 958 C ARG A 64 13.147 4.554 4.241 1.00 0.00 C ATOM 959 O ARG A 64 11.924 4.611 4.126 1.00 0.00 O ATOM 960 CB ARG A 64 14.694 4.498 6.207 1.00 0.00 C ATOM 961 CG ARG A 64 15.091 3.789 7.491 1.00 0.00 C ATOM 962 CD ARG A 64 16.111 4.596 8.280 1.00 0.00 C ATOM 963 NE ARG A 64 16.834 3.771 9.244 1.00 0.00 N ATOM 964 CZ ARG A 64 17.720 2.843 8.899 1.00 0.00 C ATOM 965 NH1 ARG A 64 17.992 2.624 7.620 1.00 0.00 N ATOM 966 NH2 ARG A 64 18.337 2.133 9.835 1.00 0.00 N ATOM 0 H ARG A 64 15.559 2.744 4.649 1.00 0.00 H new ATOM 0 HA ARG A 64 13.000 3.212 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.596 4.769 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.183 5.427 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.205 3.621 8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.505 2.809 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.821 5.055 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.605 5.407 8.804 1.00 0.00 H new ATOM 0 HE ARG A 64 16.649 3.915 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.521 3.169 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.673 1.911 7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.131 2.300 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.017 1.421 9.569 1.00 0.00 H new ATOM 980 N GLN A 65 13.981 5.247 3.473 1.00 0.00 N ATOM 981 CA GLN A 65 13.494 6.137 2.426 1.00 0.00 C ATOM 982 C GLN A 65 12.289 5.531 1.714 1.00 0.00 C ATOM 983 O GLN A 65 11.213 6.127 1.677 1.00 0.00 O ATOM 984 CB GLN A 65 14.605 6.427 1.416 1.00 0.00 C ATOM 985 CG GLN A 65 14.465 7.775 0.728 1.00 0.00 C ATOM 986 CD GLN A 65 14.371 8.925 1.710 1.00 0.00 C ATOM 987 OE1 GLN A 65 13.150 9.281 2.090 1.00 0.00 O flip ATOM 988 NE2 GLN A 65 15.385 9.488 2.124 1.00 0.00 N flip ATOM 0 H GLN A 65 14.997 5.209 3.556 1.00 0.00 H new ATOM 0 HA GLN A 65 13.185 7.072 2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.568 6.387 1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.612 5.642 0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.320 7.933 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.575 7.766 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.304 9.182 1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.305 10.260 2.785 1.00 0.00 H new ATOM 997 N ASN A 66 12.477 4.343 1.149 1.00 0.00 N ATOM 998 CA ASN A 66 11.405 3.656 0.437 1.00 0.00 C ATOM 999 C ASN A 66 10.092 3.752 1.208 1.00 0.00 C ATOM 1000 O ASN A 66 9.038 4.013 0.629 1.00 0.00 O ATOM 1001 CB ASN A 66 11.773 2.188 0.213 1.00 0.00 C ATOM 1002 CG ASN A 66 12.654 1.992 -1.006 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.689 2.835 -1.902 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.370 0.875 -1.044 1.00 0.00 N ATOM 0 H ASN A 66 13.362 3.836 1.170 1.00 0.00 H new ATOM 0 HA ASN A 66 11.274 4.142 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.288 1.807 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.862 1.601 0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.981 0.688 -1.839 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.309 0.204 -0.278 1.00 0.00 H new ATOM 1011 N PHE A 67 10.164 3.539 2.518 1.00 0.00 N ATOM 1012 CA PHE A 67 8.982 3.600 3.369 1.00 0.00 C ATOM 1013 C PHE A 67 8.534 5.044 3.574 1.00 0.00 C ATOM 1014 O PHE A 67 7.428 5.422 3.188 1.00 0.00 O ATOM 1015 CB PHE A 67 9.266 2.945 4.722 1.00 0.00 C ATOM 1016 CG PHE A 67 9.012 1.465 4.737 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.839 0.600 4.038 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.947 0.939 5.449 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.607 -0.762 4.050 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.710 -0.423 5.465 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.542 -1.275 4.765 1.00 0.00 C ATOM 0 H PHE A 67 11.029 3.323 3.013 1.00 0.00 H new ATOM 0 HA PHE A 67 8.179 3.056 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.305 3.130 4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.647 3.419 5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.674 0.995 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.294 1.601 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.258 -1.426 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.876 -0.820 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.360 -2.340 4.777 1.00 0.00 H new ATOM 1031 N GLU A 68 9.401 5.846 4.184 1.00 0.00 N ATOM 1032 CA GLU A 68 9.095 7.248 4.442 1.00 0.00 C ATOM 1033 C GLU A 68 8.401 7.883 3.240 1.00 0.00 C ATOM 1034 O GLU A 68 7.284 8.389 3.350 1.00 0.00 O ATOM 1035 CB GLU A 68 10.373 8.020 4.774 1.00 0.00 C ATOM 1036 CG GLU A 68 11.267 7.315 5.780 1.00 0.00 C ATOM 1037 CD GLU A 68 12.096 8.282 6.603 1.00 0.00 C ATOM 1038 OE1 GLU A 68 13.026 8.895 6.039 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.814 8.425 7.811 1.00 0.00 O ATOM 0 H GLU A 68 10.321 5.549 4.509 1.00 0.00 H new ATOM 0 HA GLU A 68 8.420 7.295 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.935 8.187 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.103 9.001 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.651 6.711 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.931 6.630 5.253 1.00 0.00 H new ATOM 1046 N VAL A 69 9.072 7.853 2.093 1.00 0.00 N ATOM 1047 CA VAL A 69 8.521 8.424 0.870 1.00 0.00 C ATOM 1048 C VAL A 69 7.078 7.981 0.658 1.00 0.00 C ATOM 1049 O VAL A 69 6.154 8.791 0.720 1.00 0.00 O ATOM 1050 CB VAL A 69 9.356 8.025 -0.361 1.00 0.00 C ATOM 1051 CG1 VAL A 69 8.628 8.399 -1.644 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.729 8.678 -0.308 1.00 0.00 C ATOM 0 H VAL A 69 9.998 7.439 1.985 1.00 0.00 H new ATOM 0 HA VAL A 69 8.552 9.508 0.985 1.00 0.00 H new ATOM 0 HB VAL A 69 9.493 6.944 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.233 8.110 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.670 7.880 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.459 9.476 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.305 8.385 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.616 9.762 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.251 8.355 0.593 1.00 0.00 H new ATOM 1062 N ALA A 70 6.892 6.689 0.407 1.00 0.00 N ATOM 1063 CA ALA A 70 5.561 6.137 0.188 1.00 0.00 C ATOM 1064 C ALA A 70 4.528 6.827 1.073 1.00 0.00 C ATOM 1065 O ALA A 70 3.425 7.143 0.626 1.00 0.00 O ATOM 1066 CB ALA A 70 5.563 4.638 0.446 1.00 0.00 C ATOM 0 H ALA A 70 7.647 6.005 0.350 1.00 0.00 H new ATOM 0 HA ALA A 70 5.287 6.315 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.563 4.239 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.265 4.153 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.862 4.447 1.476 1.00 0.00 H new ATOM 1072 N PHE A 71 4.892 7.058 2.330 1.00 0.00 N ATOM 1073 CA PHE A 71 3.996 7.709 3.278 1.00 0.00 C ATOM 1074 C PHE A 71 3.860 9.196 2.964 1.00 0.00 C ATOM 1075 O PHE A 71 2.782 9.670 2.605 1.00 0.00 O ATOM 1076 CB PHE A 71 4.509 7.523 4.707 1.00 0.00 C ATOM 1077 CG PHE A 71 4.401 6.109 5.204 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.189 5.438 5.163 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.510 5.453 5.712 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.086 4.137 5.618 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.413 4.152 6.168 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.200 3.493 6.123 1.00 0.00 C ATOM 0 H PHE A 71 5.801 6.804 2.716 1.00 0.00 H new ATOM 0 HA PHE A 71 3.014 7.245 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.552 7.837 4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.948 8.178 5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.315 5.937 4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.461 5.964 5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.136 3.624 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.286 3.651 6.560 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.122 2.477 6.481 1.00 0.00 H new ATOM 1092 N SER A 72 4.961 9.928 3.103 1.00 0.00 N ATOM 1093 CA SER A 72 4.964 11.362 2.840 1.00 0.00 C ATOM 1094 C SER A 72 4.323 11.667 1.489 1.00 0.00 C ATOM 1095 O SER A 72 3.334 12.395 1.410 1.00 0.00 O ATOM 1096 CB SER A 72 6.394 11.904 2.872 1.00 0.00 C ATOM 1097 OG SER A 72 6.407 13.317 2.764 1.00 0.00 O ATOM 0 H SER A 72 5.862 9.551 3.396 1.00 0.00 H new ATOM 0 HA SER A 72 4.380 11.851 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.880 11.603 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.970 11.469 2.055 1.00 0.00 H new ATOM 0 HG SER A 72 7.332 13.638 2.789 1.00 0.00 H new ATOM 1103 N SER A 73 4.895 11.106 0.429 1.00 0.00 N ATOM 1104 CA SER A 73 4.383 11.320 -0.919 1.00 0.00 C ATOM 1105 C SER A 73 2.858 11.340 -0.924 1.00 0.00 C ATOM 1106 O SER A 73 2.238 12.074 -1.694 1.00 0.00 O ATOM 1107 CB SER A 73 4.893 10.227 -1.861 1.00 0.00 C ATOM 1108 OG SER A 73 4.553 8.939 -1.379 1.00 0.00 O ATOM 0 H SER A 73 5.714 10.500 0.478 1.00 0.00 H new ATOM 0 HA SER A 73 4.743 12.288 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.468 10.371 -2.854 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.975 10.306 -1.963 1.00 0.00 H new ATOM 0 HG SER A 73 5.071 8.745 -0.570 1.00 0.00 H new ATOM 1114 N ALA A 74 2.259 10.530 -0.058 1.00 0.00 N ATOM 1115 CA ALA A 74 0.806 10.455 0.040 1.00 0.00 C ATOM 1116 C ALA A 74 0.247 11.644 0.814 1.00 0.00 C ATOM 1117 O ALA A 74 -0.542 12.425 0.284 1.00 0.00 O ATOM 1118 CB ALA A 74 0.388 9.149 0.699 1.00 0.00 C ATOM 0 H ALA A 74 2.757 9.916 0.586 1.00 0.00 H new ATOM 0 HA ALA A 74 0.396 10.486 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.699 9.107 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.748 8.310 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.815 9.094 1.700 1.00 0.00 H new ATOM 1124 N GLU A 75 0.659 11.772 2.072 1.00 0.00 N ATOM 1125 CA GLU A 75 0.197 12.865 2.919 1.00 0.00 C ATOM 1126 C GLU A 75 0.165 14.179 2.143 1.00 0.00 C ATOM 1127 O GLU A 75 -0.645 15.062 2.427 1.00 0.00 O ATOM 1128 CB GLU A 75 1.101 13.007 4.145 1.00 0.00 C ATOM 1129 CG GLU A 75 0.681 14.125 5.085 1.00 0.00 C ATOM 1130 CD GLU A 75 1.282 13.980 6.469 1.00 0.00 C ATOM 1131 OE1 GLU A 75 0.735 13.195 7.273 1.00 0.00 O ATOM 1132 OE2 GLU A 75 2.297 14.650 6.750 1.00 0.00 O ATOM 0 H GLU A 75 1.311 11.133 2.526 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.816 12.632 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.106 12.065 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.123 13.188 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.982 15.083 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.406 14.139 5.165 1.00 0.00 H new ATOM 1139 N THR A 76 1.052 14.301 1.160 1.00 0.00 N ATOM 1140 CA THR A 76 1.127 15.506 0.344 1.00 0.00 C ATOM 1141 C THR A 76 -0.264 16.050 0.037 1.00 0.00 C ATOM 1142 O THR A 76 -0.648 17.113 0.528 1.00 0.00 O ATOM 1143 CB THR A 76 1.865 15.241 -0.982 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.097 14.556 -0.728 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.146 16.545 -1.714 1.00 0.00 C ATOM 0 H THR A 76 1.728 13.580 0.910 1.00 0.00 H new ATOM 0 HA THR A 76 1.684 16.244 0.921 1.00 0.00 H new ATOM 0 HB THR A 76 1.227 14.620 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.560 14.390 -1.576 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.668 16.333 -2.647 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.205 17.051 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.767 17.187 -1.089 1.00 0.00 H new ATOM 1153 N HIS A 77 -1.016 15.316 -0.776 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.366 15.725 -1.147 1.00 0.00 C ATOM 1155 C HIS A 77 -3.402 14.762 -0.574 1.00 0.00 C ATOM 1156 O HIS A 77 -4.565 15.122 -0.394 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.502 15.792 -2.668 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.624 14.818 -3.391 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.904 15.147 -4.520 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.352 13.516 -3.140 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.228 14.090 -4.932 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.482 13.087 -4.112 1.00 0.00 N ATOM 0 H HIS A 77 -0.714 14.435 -1.191 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.546 16.716 -0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.541 15.604 -2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.263 16.802 -3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.746 12.925 -2.327 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.422 14.052 -5.793 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.095 12.146 -4.188 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.971 13.538 -0.289 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.861 12.524 0.264 1.00 0.00 C ATOM 1173 C ALA A 78 -4.009 12.688 1.773 1.00 0.00 C ATOM 1174 O ALA A 78 -4.962 12.189 2.371 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.347 11.132 -0.070 1.00 0.00 C ATOM 0 H ALA A 78 -2.011 13.224 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.845 12.654 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.021 10.385 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.300 11.012 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.351 11.000 0.354 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.059 13.389 2.383 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.084 13.619 3.823 1.00 0.00 C ATOM 1183 C ASP A 79 -3.511 12.357 4.567 1.00 0.00 C ATOM 1184 O ASP A 79 -4.434 12.388 5.381 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.032 14.771 4.161 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.603 15.528 5.402 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.986 15.109 6.514 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.884 16.540 5.261 1.00 0.00 O ATOM 0 H ASP A 79 -2.262 13.808 1.903 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.076 13.884 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.078 15.459 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.038 14.379 4.308 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.833 11.251 4.281 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.144 9.978 4.923 1.00 0.00 C ATOM 1195 C CYS A 80 -2.493 9.889 6.299 1.00 0.00 C ATOM 1196 O CYS A 80 -1.321 10.220 6.481 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.675 8.815 4.047 1.00 0.00 C ATOM 1198 SG CYS A 80 -3.137 7.184 4.677 1.00 0.00 S ATOM 0 H CYS A 80 -2.066 11.210 3.610 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.225 9.917 5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.090 8.937 3.047 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.590 8.861 3.950 1.00 0.00 H new ATOM 0 HG CYS A 80 -2.116 6.383 4.597 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.270 9.434 7.293 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.790 9.293 8.671 1.00 0.00 C ATOM 1206 C PRO A 81 -1.773 8.166 8.818 1.00 0.00 C ATOM 1207 O PRO A 81 -2.124 7.047 9.190 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.063 8.971 9.458 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.979 8.352 8.460 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.676 9.022 7.148 1.00 0.00 C ATOM 0 HA PRO A 81 -2.273 10.188 9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.857 8.289 10.283 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.499 9.871 9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.816 7.276 8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.021 8.500 8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.811 8.340 6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.329 9.877 6.973 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.513 8.471 8.525 1.00 0.00 N ATOM 1219 CA GLN A 82 0.554 7.482 8.626 1.00 0.00 C ATOM 1220 C GLN A 82 0.395 6.635 9.883 1.00 0.00 C ATOM 1221 O GLN A 82 0.704 7.081 10.989 1.00 0.00 O ATOM 1222 CB GLN A 82 1.919 8.173 8.631 1.00 0.00 C ATOM 1223 CG GLN A 82 2.286 8.805 7.298 1.00 0.00 C ATOM 1224 CD GLN A 82 1.831 10.247 7.190 1.00 0.00 C ATOM 1225 OE1 GLN A 82 0.906 10.671 7.884 1.00 0.00 O ATOM 1226 NE2 GLN A 82 2.479 11.009 6.318 1.00 0.00 N ATOM 0 H GLN A 82 -0.206 9.393 8.216 1.00 0.00 H new ATOM 0 HA GLN A 82 0.490 6.826 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.924 8.943 9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.684 7.445 8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.367 8.758 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.839 8.226 6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.240 10.616 5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.217 11.988 6.202 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.089 5.410 9.708 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.290 4.499 10.830 1.00 0.00 C ATOM 1237 C LEU A 83 0.974 3.694 11.110 1.00 0.00 C ATOM 1238 O LEU A 83 1.561 3.794 12.189 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.458 3.553 10.541 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.772 4.216 10.128 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.797 3.166 9.730 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.308 5.087 11.255 1.00 0.00 C ATOM 0 H LEU A 83 -0.349 5.025 8.800 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.522 5.094 11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.156 2.867 9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.642 2.952 11.432 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.580 4.853 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.726 3.656 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.415 2.585 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.986 2.503 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.244 5.551 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.484 4.472 12.138 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.580 5.863 11.493 1.00 0.00 H new ATOM 1254 N LEU A 84 1.391 2.897 10.132 1.00 0.00 N ATOM 1255 CA LEU A 84 2.588 2.075 10.273 1.00 0.00 C ATOM 1256 C LEU A 84 3.769 2.911 10.756 1.00 0.00 C ATOM 1257 O LEU A 84 3.910 4.077 10.385 1.00 0.00 O ATOM 1258 CB LEU A 84 2.932 1.409 8.939 1.00 0.00 C ATOM 1259 CG LEU A 84 1.797 0.643 8.259 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.094 0.449 6.780 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.576 -0.700 8.941 1.00 0.00 C ATOM 0 H LEU A 84 0.918 2.803 9.233 1.00 0.00 H new ATOM 0 HA LEU A 84 2.384 1.304 11.016 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.287 2.178 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.761 0.721 9.103 1.00 0.00 H new ATOM 0 HG LEU A 84 0.883 1.230 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.275 -0.098 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.201 1.422 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.019 -0.116 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.765 -1.231 8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.489 -1.293 8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.316 -0.538 9.987 1.00 0.00 H new ATOM 1273 N ASP A 85 4.615 2.307 11.583 1.00 0.00 N ATOM 1274 CA ASP A 85 5.786 2.995 12.114 1.00 0.00 C ATOM 1275 C ASP A 85 7.057 2.524 11.414 1.00 0.00 C ATOM 1276 O ASP A 85 7.738 1.612 11.886 1.00 0.00 O ATOM 1277 CB ASP A 85 5.902 2.760 13.621 1.00 0.00 C ATOM 1278 CG ASP A 85 5.408 1.387 14.032 1.00 0.00 C ATOM 1279 OD1 ASP A 85 5.394 0.480 13.174 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.035 1.219 15.213 1.00 0.00 O ATOM 0 H ASP A 85 4.512 1.343 11.900 1.00 0.00 H new ATOM 0 HA ASP A 85 5.665 4.062 11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.943 2.875 13.925 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.330 3.522 14.150 1.00 0.00 H new ATOM 1285 N THR A 86 7.372 3.150 10.285 1.00 0.00 N ATOM 1286 CA THR A 86 8.560 2.794 9.519 1.00 0.00 C ATOM 1287 C THR A 86 9.720 2.431 10.439 1.00 0.00 C ATOM 1288 O THR A 86 10.382 1.413 10.245 1.00 0.00 O ATOM 1289 CB THR A 86 8.995 3.944 8.591 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.847 4.543 7.981 1.00 0.00 O ATOM 1291 CG2 THR A 86 9.943 3.440 7.513 1.00 0.00 C ATOM 0 H THR A 86 6.821 3.907 9.880 1.00 0.00 H new ATOM 0 HA THR A 86 8.297 1.927 8.913 1.00 0.00 H new ATOM 0 HB THR A 86 9.516 4.689 9.192 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.132 5.274 7.394 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.237 4.270 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.830 3.011 7.980 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.443 2.678 6.916 1.00 0.00 H new ATOM 1299 N GLU A 87 9.958 3.271 11.442 1.00 0.00 N ATOM 1300 CA GLU A 87 11.039 3.037 12.392 1.00 0.00 C ATOM 1301 C GLU A 87 11.056 1.582 12.850 1.00 0.00 C ATOM 1302 O GLU A 87 12.111 0.949 12.905 1.00 0.00 O ATOM 1303 CB GLU A 87 10.894 3.963 13.602 1.00 0.00 C ATOM 1304 CG GLU A 87 11.233 5.413 13.303 1.00 0.00 C ATOM 1305 CD GLU A 87 10.416 5.979 12.157 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.799 5.755 10.990 1.00 0.00 O ATOM 1307 OE2 GLU A 87 9.396 6.646 12.427 1.00 0.00 O ATOM 0 H GLU A 87 9.418 4.118 11.617 1.00 0.00 H new ATOM 0 HA GLU A 87 11.982 3.252 11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.870 3.907 13.971 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.541 3.605 14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.063 6.014 14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.293 5.492 13.062 1.00 0.00 H new ATOM 1314 N ASP A 88 9.880 1.058 13.178 1.00 0.00 N ATOM 1315 CA ASP A 88 9.758 -0.323 13.631 1.00 0.00 C ATOM 1316 C ASP A 88 9.706 -1.281 12.445 1.00 0.00 C ATOM 1317 O ASP A 88 10.157 -2.423 12.537 1.00 0.00 O ATOM 1318 CB ASP A 88 8.506 -0.491 14.493 1.00 0.00 C ATOM 1319 CG ASP A 88 8.663 -1.580 15.536 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.814 -1.871 15.920 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.634 -2.141 15.967 1.00 0.00 O ATOM 0 H ASP A 88 8.998 1.568 13.139 1.00 0.00 H new ATOM 0 HA ASP A 88 10.637 -0.562 14.230 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.280 0.453 14.989 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.656 -0.726 13.852 1.00 0.00 H new ATOM 1326 N MET A 89 9.153 -0.809 11.332 1.00 0.00 N ATOM 1327 CA MET A 89 9.043 -1.625 10.128 1.00 0.00 C ATOM 1328 C MET A 89 10.423 -2.002 9.599 1.00 0.00 C ATOM 1329 O MET A 89 10.585 -3.024 8.932 1.00 0.00 O ATOM 1330 CB MET A 89 8.258 -0.876 9.050 1.00 0.00 C ATOM 1331 CG MET A 89 6.892 -0.397 9.515 1.00 0.00 C ATOM 1332 SD MET A 89 5.646 -1.699 9.467 1.00 0.00 S ATOM 1333 CE MET A 89 5.110 -1.592 7.761 1.00 0.00 C ATOM 0 H MET A 89 8.774 0.134 11.239 1.00 0.00 H new ATOM 0 HA MET A 89 8.510 -2.540 10.386 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.841 -0.017 8.718 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.131 -1.528 8.186 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.973 -0.014 10.532 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.569 0.433 8.887 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.130 -2.059 7.657 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.046 -0.545 7.465 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.827 -2.107 7.121 1.00 0.00 H new ATOM 1343 N VAL A 90 11.415 -1.170 9.900 1.00 0.00 N ATOM 1344 CA VAL A 90 12.782 -1.418 9.455 1.00 0.00 C ATOM 1345 C VAL A 90 13.415 -2.563 10.237 1.00 0.00 C ATOM 1346 O VAL A 90 13.708 -3.621 9.680 1.00 0.00 O ATOM 1347 CB VAL A 90 13.658 -0.160 9.607 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.133 -0.527 9.555 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.315 0.861 8.532 1.00 0.00 C ATOM 0 H VAL A 90 11.298 -0.319 10.450 1.00 0.00 H new ATOM 0 HA VAL A 90 12.728 -1.689 8.401 1.00 0.00 H new ATOM 0 HB VAL A 90 13.454 0.288 10.579 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.736 0.374 9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.365 -1.219 10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.357 -1.000 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.943 1.743 8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.489 0.426 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.267 1.147 8.623 1.00 0.00 H new ATOM 1359 N ARG A 91 13.625 -2.344 11.531 1.00 0.00 N ATOM 1360 CA ARG A 91 14.225 -3.358 12.390 1.00 0.00 C ATOM 1361 C ARG A 91 13.417 -4.652 12.350 1.00 0.00 C ATOM 1362 O ARG A 91 13.980 -5.747 12.334 1.00 0.00 O ATOM 1363 CB ARG A 91 14.318 -2.847 13.829 1.00 0.00 C ATOM 1364 CG ARG A 91 13.028 -2.227 14.341 1.00 0.00 C ATOM 1365 CD ARG A 91 13.073 -2.010 15.845 1.00 0.00 C ATOM 1366 NE ARG A 91 12.238 -0.886 16.261 1.00 0.00 N ATOM 1367 CZ ARG A 91 12.447 0.367 15.873 1.00 0.00 C ATOM 1368 NH1 ARG A 91 13.457 0.654 15.064 1.00 0.00 N ATOM 1369 NH2 ARG A 91 11.644 1.336 16.294 1.00 0.00 N ATOM 0 H ARG A 91 13.389 -1.474 12.007 1.00 0.00 H new ATOM 0 HA ARG A 91 15.229 -3.565 12.019 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.597 -3.674 14.482 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.116 -2.108 13.892 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.857 -1.274 13.840 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.188 -2.874 14.091 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.740 -2.916 16.352 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.103 -1.831 16.155 1.00 0.00 H new ATOM 0 HE ARG A 91 11.452 -1.074 16.883 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.076 -0.088 14.738 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.615 1.617 14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.865 1.119 16.916 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.805 2.298 15.995 1.00 0.00 H new ATOM 1383 N LEU A 92 12.095 -4.517 12.334 1.00 0.00 N ATOM 1384 CA LEU A 92 11.209 -5.676 12.297 1.00 0.00 C ATOM 1385 C LEU A 92 11.517 -6.558 11.091 1.00 0.00 C ATOM 1386 O LEU A 92 11.403 -6.123 9.945 1.00 0.00 O ATOM 1387 CB LEU A 92 9.748 -5.224 12.252 1.00 0.00 C ATOM 1388 CG LEU A 92 9.127 -4.827 13.592 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.829 -4.066 13.374 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.888 -6.058 14.454 1.00 0.00 C ATOM 0 H LEU A 92 11.614 -3.618 12.346 1.00 0.00 H new ATOM 0 HA LEU A 92 11.375 -6.259 13.203 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.672 -4.375 11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.152 -6.030 11.823 1.00 0.00 H new ATOM 0 HG LEU A 92 9.824 -4.172 14.114 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.402 -3.792 14.338 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.029 -3.164 12.796 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.125 -4.696 12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.446 -5.757 15.404 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.210 -6.738 13.938 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.836 -6.562 14.639 1.00 0.00 H new ATOM 1402 N ARG A 93 11.906 -7.801 11.358 1.00 0.00 N ATOM 1403 CA ARG A 93 12.230 -8.745 10.295 1.00 0.00 C ATOM 1404 C ARG A 93 11.260 -8.600 9.126 1.00 0.00 C ATOM 1405 O ARG A 93 11.659 -8.675 7.964 1.00 0.00 O ATOM 1406 CB ARG A 93 12.192 -10.178 10.828 1.00 0.00 C ATOM 1407 CG ARG A 93 13.388 -10.537 11.695 1.00 0.00 C ATOM 1408 CD ARG A 93 14.550 -11.048 10.858 1.00 0.00 C ATOM 1409 NE ARG A 93 15.837 -10.819 11.509 1.00 0.00 N ATOM 1410 CZ ARG A 93 16.973 -11.379 11.109 1.00 0.00 C ATOM 1411 NH1 ARG A 93 16.981 -12.197 10.065 1.00 0.00 N ATOM 1412 NH2 ARG A 93 18.104 -11.122 11.753 1.00 0.00 N ATOM 0 H ARG A 93 12.004 -8.177 12.301 1.00 0.00 H new ATOM 0 HA ARG A 93 13.236 -8.523 9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.279 -10.317 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.144 -10.869 9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.704 -9.661 12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.098 -11.298 12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.422 -12.115 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.542 -10.553 9.887 1.00 0.00 H new ATOM 0 HE ARG A 93 15.865 -10.195 12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.113 -12.397 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.855 -12.626 9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 93 18.102 -10.494 12.556 1.00 0.00 H new ATOM 0 HH22 ARG A 93 18.976 -11.553 11.445 1.00 0.00 H new ATOM 1426 N GLU A 94 9.986 -8.393 9.443 1.00 0.00 N ATOM 1427 CA GLU A 94 8.960 -8.240 8.418 1.00 0.00 C ATOM 1428 C GLU A 94 7.705 -7.593 8.997 1.00 0.00 C ATOM 1429 O GLU A 94 7.362 -7.779 10.164 1.00 0.00 O ATOM 1430 CB GLU A 94 8.611 -9.598 7.807 1.00 0.00 C ATOM 1431 CG GLU A 94 7.789 -10.486 8.726 1.00 0.00 C ATOM 1432 CD GLU A 94 7.919 -11.958 8.385 1.00 0.00 C ATOM 1433 OE1 GLU A 94 9.061 -12.462 8.354 1.00 0.00 O ATOM 1434 OE2 GLU A 94 6.877 -12.606 8.149 1.00 0.00 O ATOM 0 H GLU A 94 9.640 -8.327 10.400 1.00 0.00 H new ATOM 0 HA GLU A 94 9.356 -7.590 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.059 -9.439 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.533 -10.116 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.105 -10.327 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.741 -10.194 8.665 1.00 0.00 H new ATOM 1441 N PRO A 95 7.003 -6.813 8.161 1.00 0.00 N ATOM 1442 CA PRO A 95 5.775 -6.122 8.567 1.00 0.00 C ATOM 1443 C PRO A 95 4.617 -7.086 8.798 1.00 0.00 C ATOM 1444 O PRO A 95 4.379 -7.989 7.995 1.00 0.00 O ATOM 1445 CB PRO A 95 5.477 -5.202 7.381 1.00 0.00 C ATOM 1446 CG PRO A 95 6.127 -5.864 6.215 1.00 0.00 C ATOM 1447 CD PRO A 95 7.353 -6.546 6.756 1.00 0.00 C ATOM 0 HA PRO A 95 5.898 -5.594 9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.404 -5.091 7.226 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.880 -4.203 7.544 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.454 -6.584 5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.392 -5.134 5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.573 -7.466 6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.235 -5.911 6.675 1.00 0.00 H new ATOM 1455 N ASP A 96 3.899 -6.889 9.898 1.00 0.00 N ATOM 1456 CA ASP A 96 2.763 -7.740 10.233 1.00 0.00 C ATOM 1457 C ASP A 96 1.565 -7.423 9.343 1.00 0.00 C ATOM 1458 O ASP A 96 1.219 -6.259 9.144 1.00 0.00 O ATOM 1459 CB ASP A 96 2.383 -7.564 11.704 1.00 0.00 C ATOM 1460 CG ASP A 96 1.631 -8.759 12.255 1.00 0.00 C ATOM 1461 OD1 ASP A 96 2.112 -9.897 12.074 1.00 0.00 O ATOM 1462 OD2 ASP A 96 0.560 -8.557 12.866 1.00 0.00 O ATOM 0 H ASP A 96 4.083 -6.147 10.573 1.00 0.00 H new ATOM 0 HA ASP A 96 3.054 -8.776 10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.286 -7.404 12.293 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.769 -6.670 11.813 1.00 0.00 H new ATOM 1467 N TRP A 97 0.938 -8.466 8.811 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.221 -8.299 7.942 1.00 0.00 C ATOM 1469 C TRP A 97 -1.319 -7.509 8.645 1.00 0.00 C ATOM 1470 O TRP A 97 -1.929 -6.615 8.057 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.757 -9.663 7.504 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.980 -10.608 8.646 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.061 -11.449 9.204 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.201 -10.808 9.366 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.637 -12.161 10.229 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.949 -11.786 10.349 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.481 -10.256 9.279 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -2.931 -12.221 11.234 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.455 -10.689 10.158 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.176 -11.663 11.126 1.00 0.00 C ATOM 0 H TRP A 97 1.213 -9.436 8.966 1.00 0.00 H new ATOM 0 HA TRP A 97 0.095 -7.741 7.061 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.697 -9.522 6.970 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.055 -10.113 6.801 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.967 -11.541 8.887 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.164 -12.856 10.807 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.706 -9.504 8.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.718 -12.973 11.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.448 -10.270 10.098 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -4.958 -11.979 11.800 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.568 -7.843 9.906 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.592 -7.164 10.691 1.00 0.00 C ATOM 1493 C LYS A 98 -2.475 -5.650 10.544 1.00 0.00 C ATOM 1494 O LYS A 98 -3.477 -4.955 10.368 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.476 -7.554 12.166 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.536 -9.053 12.405 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.722 -9.376 13.878 1.00 0.00 C ATOM 1498 CE LYS A 98 -2.283 -10.797 14.197 1.00 0.00 C ATOM 1499 NZ LYS A 98 -0.799 -10.928 14.219 1.00 0.00 N ATOM 0 H LYS A 98 -1.074 -8.581 10.407 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.567 -7.474 10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.537 -7.169 12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.279 -7.073 12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.358 -9.481 11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.619 -9.517 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.148 -8.673 14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.770 -9.248 14.150 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.688 -11.094 15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.697 -11.480 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.519 -11.794 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.371 -10.103 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.470 -10.979 15.204 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.248 -5.146 10.616 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.001 -3.714 10.491 1.00 0.00 C ATOM 1515 C CYS A 99 -1.074 -3.276 9.031 1.00 0.00 C ATOM 1516 O CYS A 99 -1.963 -2.518 8.644 1.00 0.00 O ATOM 1517 CB CYS A 99 0.367 -3.359 11.074 1.00 0.00 C ATOM 1518 SG CYS A 99 0.421 -3.362 12.882 1.00 0.00 S ATOM 0 H CYS A 99 -0.409 -5.708 10.760 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.774 -3.186 11.050 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.105 -4.067 10.698 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.659 -2.372 10.714 1.00 0.00 H new ATOM 0 HG CYS A 99 1.619 -3.052 13.281 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.132 -3.757 8.226 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.089 -3.414 6.810 1.00 0.00 C ATOM 1526 C VAL A 100 -1.494 -3.321 6.224 1.00 0.00 C ATOM 1527 O VAL A 100 -1.921 -2.257 5.776 1.00 0.00 O ATOM 1528 CB VAL A 100 0.722 -4.448 6.007 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.725 -4.093 4.528 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.142 -4.543 6.544 1.00 0.00 C ATOM 0 H VAL A 100 0.612 -4.385 8.531 1.00 0.00 H new ATOM 0 HA VAL A 100 0.398 -2.442 6.734 1.00 0.00 H new ATOM 0 HB VAL A 100 0.249 -5.423 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.303 -4.835 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.299 -4.080 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.173 -3.109 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.701 -5.278 5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.628 -3.571 6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.116 -4.848 7.590 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.207 -4.442 6.231 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.564 -4.487 5.698 1.00 0.00 C ATOM 1542 C TYR A 101 -4.334 -3.221 6.059 1.00 0.00 C ATOM 1543 O TYR A 101 -5.066 -2.669 5.238 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.302 -5.716 6.232 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.805 -5.632 6.083 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.588 -5.038 7.065 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.440 -6.145 4.959 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.961 -4.960 6.933 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.813 -6.069 4.818 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.568 -5.476 5.807 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.936 -5.399 5.671 1.00 0.00 O ATOM 0 H TYR A 101 -1.868 -5.331 6.599 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.499 -4.553 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.942 -6.602 5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.057 -5.847 7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.115 -4.630 7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.851 -6.611 4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.556 -4.498 7.707 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.292 -6.472 3.938 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.204 -5.808 4.821 1.00 0.00 H new ATOM 1561 N THR A 102 -4.162 -2.764 7.296 1.00 0.00 N ATOM 1562 CA THR A 102 -4.840 -1.563 7.768 1.00 0.00 C ATOM 1563 C THR A 102 -4.518 -0.365 6.881 1.00 0.00 C ATOM 1564 O THR A 102 -5.416 0.355 6.445 1.00 0.00 O ATOM 1565 CB THR A 102 -4.448 -1.231 9.221 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.653 -2.375 10.057 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.264 -0.060 9.747 1.00 0.00 C ATOM 0 H THR A 102 -3.559 -3.208 7.989 1.00 0.00 H new ATOM 0 HA THR A 102 -5.910 -1.767 7.725 1.00 0.00 H new ATOM 0 HB THR A 102 -3.394 -0.955 9.236 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.922 -3.014 9.923 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.970 0.156 10.774 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.084 0.817 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.324 -0.313 9.719 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.233 -0.159 6.617 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.793 0.953 5.783 1.00 0.00 C ATOM 1577 C TYR A 103 -3.480 0.918 4.421 1.00 0.00 C ATOM 1578 O TYR A 103 -4.047 1.915 3.974 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.275 0.913 5.602 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.728 2.082 4.814 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.778 3.373 5.324 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.159 1.894 3.560 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.281 4.444 4.607 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.343 2.959 2.837 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.279 4.232 3.364 1.00 0.00 C ATOM 1586 OH TYR A 103 0.778 5.296 2.648 1.00 0.00 O ATOM 0 H TYR A 103 -2.478 -0.747 6.968 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.068 1.881 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.801 0.894 6.583 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.002 -0.014 5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.213 3.542 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.108 0.899 3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.331 5.442 5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.783 2.796 1.864 1.00 0.00 H new ATOM 0 HH TYR A 103 1.138 4.976 1.795 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.426 -0.238 3.769 1.00 0.00 N ATOM 1597 CA ILE A 104 -4.045 -0.405 2.459 1.00 0.00 C ATOM 1598 C ILE A 104 -5.505 0.034 2.481 1.00 0.00 C ATOM 1599 O ILE A 104 -5.967 0.727 1.575 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.967 -1.868 1.983 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.543 -2.405 2.143 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.421 -1.978 0.535 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.480 -1.457 1.635 1.00 0.00 C ATOM 0 H ILE A 104 -2.961 -1.073 4.126 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.490 0.225 1.764 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.633 -2.471 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.358 -2.614 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.458 -3.352 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.360 -3.017 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.451 -1.631 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.778 -1.364 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.496 -1.902 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.639 -1.267 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.538 -0.517 2.185 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.224 -0.373 3.522 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.632 -0.020 3.662 1.00 0.00 C ATOM 1617 C GLN A 105 -7.798 1.479 3.889 1.00 0.00 C ATOM 1618 O GLN A 105 -8.604 2.131 3.226 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.262 -0.796 4.820 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.747 -0.525 4.998 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.306 -1.144 6.264 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.075 -0.646 7.366 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.045 -2.237 6.112 1.00 0.00 N ATOM 0 H GLN A 105 -5.855 -0.947 4.280 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.141 -0.287 2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.113 -1.863 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.741 -0.541 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.916 0.552 5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.289 -0.916 4.137 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.211 -2.615 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.447 -2.698 6.928 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.029 2.018 4.830 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.092 3.441 5.144 1.00 0.00 C ATOM 1634 C GLU A 106 -6.835 4.285 3.899 1.00 0.00 C ATOM 1635 O GLU A 106 -7.677 5.089 3.496 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.074 3.791 6.231 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.134 5.243 6.677 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.552 5.713 6.942 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.296 5.935 5.965 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.916 5.857 8.128 1.00 0.00 O ATOM 0 H GLU A 106 -6.356 1.492 5.387 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.094 3.662 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.241 3.147 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.072 3.574 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.539 5.366 7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.683 5.874 5.911 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.667 4.098 3.295 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.297 4.843 2.097 1.00 0.00 C ATOM 1649 C PHE A 107 -6.335 4.650 0.995 1.00 0.00 C ATOM 1650 O PHE A 107 -6.906 5.617 0.490 1.00 0.00 O ATOM 1651 CB PHE A 107 -3.920 4.399 1.599 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.253 5.404 0.705 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.169 6.736 1.079 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.710 5.018 -0.510 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.556 7.664 0.259 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.095 5.942 -1.334 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.019 7.266 -0.949 1.00 0.00 C ATOM 0 H PHE A 107 -4.960 3.437 3.615 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.258 5.901 2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.277 4.205 2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.024 3.457 1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.588 7.052 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.768 3.984 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.497 8.699 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.674 5.629 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.540 7.989 -1.592 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.574 3.396 0.629 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.541 3.076 -0.415 1.00 0.00 C ATOM 1669 C TYR A 108 -8.795 3.934 -0.278 1.00 0.00 C ATOM 1670 O TYR A 108 -9.275 4.511 -1.253 1.00 0.00 O ATOM 1671 CB TYR A 108 -7.914 1.594 -0.356 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.968 1.195 -1.365 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -8.771 1.405 -2.724 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -10.160 0.608 -0.958 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -9.731 1.043 -3.649 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -11.124 0.241 -1.876 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.906 0.460 -3.221 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.865 0.097 -4.138 1.00 0.00 O ATOM 0 H TYR A 108 -6.112 2.584 1.039 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.081 3.290 -1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.018 0.995 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.274 1.358 0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.852 1.859 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.335 0.436 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.563 1.215 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.044 -0.215 -1.543 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.630 -0.300 -3.672 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.319 4.013 0.941 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.517 4.800 1.207 1.00 0.00 C ATOM 1690 C ARG A 109 -10.330 6.246 0.759 1.00 0.00 C ATOM 1691 O ARG A 109 -11.228 6.844 0.166 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.860 4.757 2.698 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.082 5.583 3.065 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.172 5.807 4.567 1.00 0.00 C ATOM 1695 NE ARG A 109 -12.477 4.575 5.288 1.00 0.00 N ATOM 1696 CZ ARG A 109 -12.593 4.505 6.609 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -12.430 5.593 7.350 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -12.872 3.347 7.192 1.00 0.00 N ATOM 0 H ARG A 109 -8.933 3.542 1.759 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.339 4.366 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.029 3.722 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.004 5.116 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.039 6.545 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.983 5.077 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.228 6.215 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.942 6.550 4.777 1.00 0.00 H new ATOM 0 HE ARG A 109 -12.608 3.720 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.215 6.485 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.520 5.537 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.998 2.508 6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.961 3.295 8.207 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.158 6.801 1.046 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.852 8.178 0.674 1.00 0.00 C ATOM 1714 C CYS A 110 -8.927 8.362 -0.839 1.00 0.00 C ATOM 1715 O CYS A 110 -9.451 9.363 -1.328 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.462 8.569 1.179 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.254 8.405 2.967 1.00 0.00 S ATOM 0 H CYS A 110 -8.404 6.319 1.535 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.595 8.827 1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.718 7.949 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.261 9.602 0.894 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.376 7.156 3.305 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.399 7.390 -1.574 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.404 7.444 -3.032 1.00 0.00 C ATOM 1725 C LEU A 111 -9.831 7.488 -3.570 1.00 0.00 C ATOM 1726 O LEU A 111 -10.189 8.381 -4.337 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.666 6.236 -3.610 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.323 5.896 -2.961 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.792 4.575 -3.494 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.318 7.013 -3.200 1.00 0.00 C ATOM 0 H LEU A 111 -7.962 6.555 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.891 8.355 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.317 5.365 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.499 6.412 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.475 5.795 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.836 4.350 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.504 3.780 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.655 4.647 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.368 6.754 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.170 7.146 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.695 7.940 -2.768 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.642 6.517 -3.160 1.00 0.00 N ATOM 1743 CA VAL A 112 -12.031 6.446 -3.598 1.00 0.00 C ATOM 1744 C VAL A 112 -12.710 7.807 -3.495 1.00 0.00 C ATOM 1745 O VAL A 112 -13.510 8.179 -4.353 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.829 5.422 -2.770 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.294 5.428 -3.180 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.230 4.032 -2.921 1.00 0.00 C ATOM 0 H VAL A 112 -10.361 5.769 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.018 6.128 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.770 5.706 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.842 4.698 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.714 6.420 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.377 5.170 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.807 3.321 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.256 3.736 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.197 4.041 -2.572 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.385 8.546 -2.439 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.964 9.867 -2.223 1.00 0.00 C ATOM 1760 C GLN A 113 -12.300 10.906 -3.120 1.00 0.00 C ATOM 1761 O GLN A 113 -12.955 11.819 -3.622 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.822 10.276 -0.756 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.893 9.686 0.147 1.00 0.00 C ATOM 1764 CD GLN A 113 -15.262 10.288 -0.102 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -16.084 9.715 -0.819 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -15.515 11.449 0.490 1.00 0.00 N ATOM 0 H GLN A 113 -11.724 8.252 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.023 9.818 -2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.842 9.965 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.858 11.363 -0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.940 8.608 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.614 9.846 1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.805 11.888 1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -16.420 11.902 0.359 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.994 10.761 -3.318 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.239 11.685 -4.155 1.00 0.00 C ATOM 1777 C LYS A 114 -10.706 11.611 -5.606 1.00 0.00 C ATOM 1778 O LYS A 114 -10.593 12.580 -6.355 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.743 11.375 -4.073 1.00 0.00 C ATOM 1780 CG LYS A 114 -8.080 11.905 -2.814 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.881 13.410 -2.879 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.679 13.777 -3.735 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.779 15.164 -4.267 1.00 0.00 N ATOM 0 H LYS A 114 -10.436 10.011 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.415 12.696 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.601 10.295 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.244 11.801 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.692 11.655 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.116 11.415 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.776 13.879 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.746 13.804 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.769 13.680 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.596 13.075 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.941 15.375 -4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.634 15.250 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.832 15.836 -3.475 1.00 0.00 H new ATOM 1797 N GLY A 115 -11.232 10.454 -5.995 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.709 10.275 -7.354 1.00 0.00 C ATOM 1799 C GLY A 115 -10.668 9.641 -8.255 1.00 0.00 C ATOM 1800 O GLY A 115 -10.691 9.831 -9.472 1.00 0.00 O ATOM 0 H GLY A 115 -11.336 9.637 -5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.603 9.652 -7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -12.000 11.242 -7.764 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.752 8.887 -7.658 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.696 8.224 -8.415 1.00 0.00 C ATOM 1806 C LEU A 116 -9.124 6.820 -8.832 1.00 0.00 C ATOM 1807 O LEU A 116 -8.915 6.409 -9.973 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.413 8.153 -7.585 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.561 9.422 -7.557 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.648 9.425 -6.341 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.747 9.546 -8.837 1.00 0.00 C ATOM 0 H LEU A 116 -9.719 8.719 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.507 8.809 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.681 7.897 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.801 7.337 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.227 10.282 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.049 10.336 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.250 9.384 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.989 8.558 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.147 10.455 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.091 8.681 -8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.420 9.591 -9.693 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.727 6.090 -7.899 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.188 4.733 -8.169 1.00 0.00 C ATOM 1825 C VAL A 117 -11.706 4.640 -8.074 1.00 0.00 C ATOM 1826 O VAL A 117 -12.272 4.635 -6.981 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.560 3.722 -7.192 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.114 2.327 -7.438 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.044 3.731 -7.316 1.00 0.00 C ATOM 0 H VAL A 117 -9.908 6.416 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.875 4.488 -9.184 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.820 4.017 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.659 1.626 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.194 2.334 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.887 2.020 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.618 3.010 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.761 3.462 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.666 4.727 -7.085 1.00 0.00 H new