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 80 CYS SG : rot -136:sc= -1.29 USER MOD Set 1.2: A 82 GLN : amide:sc= -2.13 K(o=-3.5,f=-5.9!) USER MOD Set 1.3: A 103 TYR OH : rot 180:sc= -0.05 USER MOD Set 2.1: A 39 MET CE :methyl -174:sc= 0 (180deg=-0.0441) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 30 ASN : amide:sc= -0.0295 X(o=-0.029,f=0.063) USER MOD Set 3.2: A 34 SER OG : rot -100:sc= 0 USER MOD Set 4.1: A 23 TYR OH : rot -155:sc= 0.194 USER MOD Set 4.2: A 46 HIS : no HD1:sc= -2.75! K(o=-2.6!,f=-1.5) USER MOD Set 5.1: A 16 CYS SG : rot -179:sc= -4.68! USER MOD Set 5.2: A 20 THR OG1 : rot 79:sc= 0.804 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.482 K(o=-0.48,f=-1) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -1.11 (180deg=-1.31) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -72:sc= 0.245 USER MOD Single : A 42 CYS SG : rot 70:sc= -2.17! USER MOD Single : A 47 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.59) USER MOD Single : A 57 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 62 ASN : amide:sc= -0.0937 K(o=-0.094,f=-0.95) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -2.44! C(o=-2.4!,f=-3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -76:sc= -0.653 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 77 HIS : no HD1:sc= -7.41! C(o=-7.4!,f=-8.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 89 MET CE :methyl -155:sc= -3.56! (180deg=-4.72!) USER MOD Single : A 98 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.423) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.216 USER MOD Single : A 105 GLN : amide:sc= -0.284 K(o=-0.28,f=0.46) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -136:sc= -4.24! USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -143:sc= 0.969 (180deg=0.226) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.085 -9.445 1.897 1.00 0.00 N ATOM 67 CA ILE A 8 -11.564 -8.192 1.366 1.00 0.00 C ATOM 68 C ILE A 8 -10.039 -8.187 1.368 1.00 0.00 C ATOM 69 O ILE A 8 -9.409 -7.434 0.625 1.00 0.00 O ATOM 70 CB ILE A 8 -12.071 -6.984 2.175 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.598 -6.907 2.116 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.450 -5.697 1.652 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.286 -7.745 3.171 1.00 0.00 C ATOM 0 HA ILE A 8 -11.924 -8.109 0.341 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.772 -7.112 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.906 -5.868 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.932 -7.231 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.818 -4.852 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.365 -5.754 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.721 -5.562 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.366 -7.642 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.007 -8.791 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.981 -7.406 4.161 1.00 0.00 H new ATOM 85 N LYS A 9 -9.450 -9.033 2.206 1.00 0.00 N ATOM 86 CA LYS A 9 -7.999 -9.130 2.303 1.00 0.00 C ATOM 87 C LYS A 9 -7.403 -9.686 1.014 1.00 0.00 C ATOM 88 O LYS A 9 -6.206 -9.551 0.764 1.00 0.00 O ATOM 89 CB LYS A 9 -7.604 -10.018 3.485 1.00 0.00 C ATOM 90 CG LYS A 9 -6.103 -10.198 3.636 1.00 0.00 C ATOM 91 CD LYS A 9 -5.768 -11.168 4.756 1.00 0.00 C ATOM 92 CE LYS A 9 -6.088 -12.603 4.365 1.00 0.00 C ATOM 93 NZ LYS A 9 -5.912 -13.541 5.508 1.00 0.00 N ATOM 0 H LYS A 9 -9.957 -9.662 2.829 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.603 -8.127 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.004 -9.586 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.069 -10.997 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.683 -10.564 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.638 -9.233 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.710 -11.085 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.329 -10.900 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.114 -12.661 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.442 -12.908 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.140 -14.508 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.926 -13.505 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.547 -13.265 6.284 1.00 0.00 H new ATOM 107 N GLN A 10 -8.247 -10.311 0.199 1.00 0.00 N ATOM 108 CA GLN A 10 -7.803 -10.887 -1.065 1.00 0.00 C ATOM 109 C GLN A 10 -7.852 -9.851 -2.183 1.00 0.00 C ATOM 110 O GLN A 10 -6.821 -9.475 -2.740 1.00 0.00 O ATOM 111 CB GLN A 10 -8.669 -12.093 -1.433 1.00 0.00 C ATOM 112 CG GLN A 10 -8.085 -12.943 -2.550 1.00 0.00 C ATOM 113 CD GLN A 10 -6.639 -13.321 -2.300 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.233 -13.555 -1.161 1.00 0.00 O ATOM 115 NE2 GLN A 10 -5.850 -13.383 -3.367 1.00 0.00 N ATOM 0 H GLN A 10 -9.241 -10.431 0.391 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.770 -11.214 -0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.806 -12.715 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.657 -11.743 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.680 -13.850 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.157 -12.398 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.228 -13.181 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.867 -13.632 -3.260 1.00 0.00 H new ATOM 124 N MET A 11 -9.057 -9.393 -2.506 1.00 0.00 N ATOM 125 CA MET A 11 -9.240 -8.399 -3.557 1.00 0.00 C ATOM 126 C MET A 11 -8.182 -7.305 -3.461 1.00 0.00 C ATOM 127 O MET A 11 -7.695 -6.807 -4.477 1.00 0.00 O ATOM 128 CB MET A 11 -10.637 -7.782 -3.467 1.00 0.00 C ATOM 129 CG MET A 11 -10.727 -6.619 -2.493 1.00 0.00 C ATOM 130 SD MET A 11 -12.300 -5.744 -2.598 1.00 0.00 S ATOM 131 CE MET A 11 -11.781 -4.204 -3.350 1.00 0.00 C ATOM 0 H MET A 11 -9.921 -9.694 -2.055 1.00 0.00 H new ATOM 0 HA MET A 11 -9.133 -8.900 -4.519 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.938 -7.440 -4.457 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.347 -8.553 -3.166 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.589 -6.990 -1.477 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.914 -5.921 -2.691 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.646 -3.553 -3.481 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.051 -3.713 -2.707 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.330 -4.407 -4.321 1.00 0.00 H new ATOM 141 N LEU A 12 -7.829 -6.935 -2.235 1.00 0.00 N ATOM 142 CA LEU A 12 -6.828 -5.899 -2.007 1.00 0.00 C ATOM 143 C LEU A 12 -5.499 -6.273 -2.657 1.00 0.00 C ATOM 144 O LEU A 12 -5.006 -5.567 -3.537 1.00 0.00 O ATOM 145 CB LEU A 12 -6.629 -5.676 -0.506 1.00 0.00 C ATOM 146 CG LEU A 12 -7.777 -4.980 0.226 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.603 -5.105 1.732 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.862 -3.517 -0.183 1.00 0.00 C ATOM 0 H LEU A 12 -8.221 -7.337 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.187 -4.976 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.457 -6.644 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.723 -5.087 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.710 -5.469 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.429 -4.604 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.593 -6.159 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.662 -4.642 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.685 -3.038 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.927 -3.015 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.035 -3.449 -1.257 1.00 0.00 H new ATOM 160 N LEU A 13 -4.926 -7.388 -2.219 1.00 0.00 N ATOM 161 CA LEU A 13 -3.655 -7.858 -2.759 1.00 0.00 C ATOM 162 C LEU A 13 -3.685 -7.875 -4.284 1.00 0.00 C ATOM 163 O LEU A 13 -2.853 -7.244 -4.938 1.00 0.00 O ATOM 164 CB LEU A 13 -3.339 -9.258 -2.229 1.00 0.00 C ATOM 165 CG LEU A 13 -1.999 -9.854 -2.663 1.00 0.00 C ATOM 166 CD1 LEU A 13 -0.882 -9.375 -1.750 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.069 -11.374 -2.672 1.00 0.00 C ATOM 0 H LEU A 13 -5.321 -7.984 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.874 -7.169 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.364 -9.226 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.134 -9.933 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.783 -9.515 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.064 -9.809 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.817 -8.288 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.091 -9.684 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.107 -11.781 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.308 -11.733 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.842 -11.698 -3.368 1.00 0.00 H new ATOM 179 N ASP A 14 -4.649 -8.597 -4.844 1.00 0.00 N ATOM 180 CA ASP A 14 -4.789 -8.692 -6.293 1.00 0.00 C ATOM 181 C ASP A 14 -4.902 -7.307 -6.920 1.00 0.00 C ATOM 182 O ASP A 14 -4.278 -7.026 -7.944 1.00 0.00 O ATOM 183 CB ASP A 14 -6.017 -9.531 -6.653 1.00 0.00 C ATOM 184 CG ASP A 14 -5.690 -11.004 -6.797 1.00 0.00 C ATOM 185 OD1 ASP A 14 -4.669 -11.444 -6.228 1.00 0.00 O ATOM 186 OD2 ASP A 14 -6.456 -11.717 -7.477 1.00 0.00 O ATOM 0 H ASP A 14 -5.345 -9.125 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.897 -9.178 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.778 -9.404 -5.883 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.443 -9.164 -7.586 1.00 0.00 H new ATOM 191 N TRP A 15 -5.702 -6.446 -6.301 1.00 0.00 N ATOM 192 CA TRP A 15 -5.897 -5.089 -6.800 1.00 0.00 C ATOM 193 C TRP A 15 -4.573 -4.336 -6.861 1.00 0.00 C ATOM 194 O TRP A 15 -4.299 -3.621 -7.826 1.00 0.00 O ATOM 195 CB TRP A 15 -6.887 -4.335 -5.911 1.00 0.00 C ATOM 196 CG TRP A 15 -6.905 -2.857 -6.164 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.608 -2.200 -7.132 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.185 -1.855 -5.437 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.369 -0.849 -7.052 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.500 -0.612 -6.020 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.307 -1.887 -4.351 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.967 0.586 -5.551 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.778 -0.697 -3.887 1.00 0.00 C ATOM 204 CH2 TRP A 15 -5.110 0.526 -4.486 1.00 0.00 C ATOM 0 H TRP A 15 -6.226 -6.663 -5.453 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.303 -5.154 -7.810 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.888 -4.736 -6.072 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.636 -4.515 -4.866 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.257 -2.672 -7.855 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.773 -0.138 -7.662 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.046 -2.824 -3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.221 1.529 -6.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.097 -0.710 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.681 1.439 -4.099 1.00 0.00 H new ATOM 215 N CYS A 16 -3.755 -4.501 -5.827 1.00 0.00 N ATOM 216 CA CYS A 16 -2.459 -3.835 -5.764 1.00 0.00 C ATOM 217 C CYS A 16 -1.596 -4.209 -6.965 1.00 0.00 C ATOM 218 O CYS A 16 -0.933 -3.356 -7.555 1.00 0.00 O ATOM 219 CB CYS A 16 -1.736 -4.203 -4.467 1.00 0.00 C ATOM 220 SG CYS A 16 -0.633 -2.913 -3.845 1.00 0.00 S ATOM 0 H CYS A 16 -3.966 -5.090 -5.021 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.630 -2.759 -5.784 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.478 -4.431 -3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.158 -5.112 -4.631 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.056 -3.324 -2.755 1.00 0.00 H new ATOM 226 N ARG A 17 -1.609 -5.489 -7.320 1.00 0.00 N ATOM 227 CA ARG A 17 -0.825 -5.977 -8.449 1.00 0.00 C ATOM 228 C ARG A 17 -1.210 -5.247 -9.733 1.00 0.00 C ATOM 229 O ARG A 17 -0.363 -4.986 -10.587 1.00 0.00 O ATOM 230 CB ARG A 17 -1.027 -7.483 -8.625 1.00 0.00 C ATOM 231 CG ARG A 17 -1.093 -8.246 -7.312 1.00 0.00 C ATOM 232 CD ARG A 17 -1.013 -9.748 -7.536 1.00 0.00 C ATOM 233 NE ARG A 17 -2.283 -10.301 -7.998 1.00 0.00 N ATOM 234 CZ ARG A 17 -2.652 -10.328 -9.274 1.00 0.00 C ATOM 235 NH1 ARG A 17 -1.852 -9.837 -10.210 1.00 0.00 N ATOM 236 NH2 ARG A 17 -3.824 -10.848 -9.616 1.00 0.00 N ATOM 0 H ARG A 17 -2.154 -6.207 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 17 0.227 -5.781 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.948 -7.655 -9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.211 -7.883 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.275 -7.930 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.021 -8.003 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.236 -9.964 -8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.721 -10.238 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.922 -10.688 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.950 -9.437 -9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.138 -9.859 -11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.442 -11.227 -8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.106 -10.868 -10.596 1.00 0.00 H new ATOM 250 N ALA A 18 -2.492 -4.923 -9.861 1.00 0.00 N ATOM 251 CA ALA A 18 -2.988 -4.223 -11.040 1.00 0.00 C ATOM 252 C ALA A 18 -2.371 -2.834 -11.154 1.00 0.00 C ATOM 253 O ALA A 18 -1.731 -2.507 -12.154 1.00 0.00 O ATOM 254 CB ALA A 18 -4.506 -4.126 -10.996 1.00 0.00 C ATOM 0 H ALA A 18 -3.206 -5.134 -9.164 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.696 -4.795 -11.921 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.863 -3.601 -11.882 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.934 -5.128 -10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.810 -3.579 -10.103 1.00 0.00 H new ATOM 260 N LYS A 19 -2.566 -2.018 -10.123 1.00 0.00 N ATOM 261 CA LYS A 19 -2.028 -0.663 -10.106 1.00 0.00 C ATOM 262 C LYS A 19 -0.504 -0.682 -10.154 1.00 0.00 C ATOM 263 O LYS A 19 0.119 0.163 -10.797 1.00 0.00 O ATOM 264 CB LYS A 19 -2.501 0.080 -8.854 1.00 0.00 C ATOM 265 CG LYS A 19 -4.008 0.059 -8.667 1.00 0.00 C ATOM 266 CD LYS A 19 -4.712 0.897 -9.720 1.00 0.00 C ATOM 267 CE LYS A 19 -6.207 0.619 -9.746 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.955 1.516 -8.823 1.00 0.00 N ATOM 0 H LYS A 19 -3.093 -2.272 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.395 -0.142 -10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.028 -0.364 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.164 1.115 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.368 -0.969 -8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.258 0.435 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.541 1.955 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.285 0.686 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.583 0.748 -10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.388 -0.420 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.973 1.452 -9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.779 1.227 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.636 2.497 -8.957 1.00 0.00 H new ATOM 282 N THR A 20 0.093 -1.653 -9.469 1.00 0.00 N ATOM 283 CA THR A 20 1.544 -1.783 -9.434 1.00 0.00 C ATOM 284 C THR A 20 2.050 -2.624 -10.600 1.00 0.00 C ATOM 285 O THR A 20 3.062 -3.316 -10.486 1.00 0.00 O ATOM 286 CB THR A 20 2.020 -2.418 -8.114 1.00 0.00 C ATOM 287 OG1 THR A 20 1.342 -1.813 -7.007 1.00 0.00 O ATOM 288 CG2 THR A 20 3.523 -2.256 -7.945 1.00 0.00 C ATOM 0 H THR A 20 -0.407 -2.361 -8.931 1.00 0.00 H new ATOM 0 HA THR A 20 1.952 -0.775 -9.512 1.00 0.00 H new ATOM 0 HB THR A 20 1.787 -3.482 -8.145 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.443 -2.194 -6.926 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.835 -2.712 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.037 -2.743 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.776 -1.196 -7.935 1.00 0.00 H new ATOM 296 N ARG A 21 1.341 -2.558 -11.722 1.00 0.00 N ATOM 297 CA ARG A 21 1.718 -3.314 -12.910 1.00 0.00 C ATOM 298 C ARG A 21 2.896 -2.656 -13.622 1.00 0.00 C ATOM 299 O ARG A 21 2.969 -1.432 -13.723 1.00 0.00 O ATOM 300 CB ARG A 21 0.530 -3.429 -13.866 1.00 0.00 C ATOM 301 CG ARG A 21 -0.334 -4.655 -13.620 1.00 0.00 C ATOM 302 CD ARG A 21 -1.288 -4.907 -14.777 1.00 0.00 C ATOM 303 NE ARG A 21 -0.653 -5.657 -15.857 1.00 0.00 N ATOM 304 CZ ARG A 21 -1.326 -6.232 -16.847 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.648 -6.144 -16.894 1.00 0.00 N ATOM 306 NH2 ARG A 21 -0.676 -6.898 -17.794 1.00 0.00 N ATOM 0 H ARG A 21 0.502 -1.989 -11.833 1.00 0.00 H new ATOM 0 HA ARG A 21 2.019 -4.313 -12.594 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.087 -2.536 -13.774 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.901 -3.456 -14.891 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.303 -5.527 -13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.903 -4.521 -12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.158 -5.457 -14.417 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.650 -3.954 -15.162 1.00 0.00 H new ATOM 0 HE ARG A 21 0.363 -5.744 -15.851 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.151 -5.633 -16.168 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.162 -6.587 -17.656 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.341 -6.968 -17.761 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.194 -7.339 -18.554 1.00 0.00 H new ATOM 320 N GLY A 22 3.818 -3.478 -14.115 1.00 0.00 N ATOM 321 CA GLY A 22 4.980 -2.957 -14.811 1.00 0.00 C ATOM 322 C GLY A 22 6.136 -2.670 -13.874 1.00 0.00 C ATOM 323 O GLY A 22 7.299 -2.840 -14.242 1.00 0.00 O ATOM 0 H GLY A 22 3.781 -4.495 -14.045 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.299 -3.674 -15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.706 -2.042 -15.335 1.00 0.00 H new ATOM 327 N TYR A 23 5.818 -2.233 -12.661 1.00 0.00 N ATOM 328 CA TYR A 23 6.839 -1.918 -11.670 1.00 0.00 C ATOM 329 C TYR A 23 7.791 -3.094 -11.474 1.00 0.00 C ATOM 330 O TYR A 23 7.411 -4.128 -10.925 1.00 0.00 O ATOM 331 CB TYR A 23 6.189 -1.547 -10.336 1.00 0.00 C ATOM 332 CG TYR A 23 5.543 -0.179 -10.337 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.258 0.003 -10.833 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.218 0.930 -9.843 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.664 1.251 -10.836 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.632 2.181 -9.841 1.00 0.00 C ATOM 337 CZ TYR A 23 4.355 2.336 -10.339 1.00 0.00 C ATOM 338 OH TYR A 23 3.768 3.581 -10.340 1.00 0.00 O ATOM 0 H TYR A 23 4.861 -2.089 -12.340 1.00 0.00 H new ATOM 0 HA TYR A 23 7.413 -1.067 -12.037 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.436 -2.295 -10.088 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.944 -1.582 -9.551 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.714 -0.845 -11.223 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.218 0.812 -9.454 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.664 1.376 -11.225 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.170 3.033 -9.452 1.00 0.00 H new ATOM 0 HH TYR A 23 4.464 4.271 -10.354 1.00 0.00 H new ATOM 348 N GLU A 24 9.029 -2.927 -11.928 1.00 0.00 N ATOM 349 CA GLU A 24 10.035 -3.975 -11.804 1.00 0.00 C ATOM 350 C GLU A 24 10.478 -4.135 -10.352 1.00 0.00 C ATOM 351 O GLU A 24 10.419 -3.189 -9.566 1.00 0.00 O ATOM 352 CB GLU A 24 11.245 -3.659 -12.686 1.00 0.00 C ATOM 353 CG GLU A 24 12.149 -4.856 -12.931 1.00 0.00 C ATOM 354 CD GLU A 24 13.298 -4.536 -13.867 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.088 -3.756 -14.819 1.00 0.00 O ATOM 356 OE2 GLU A 24 14.408 -5.066 -13.647 1.00 0.00 O ATOM 0 H GLU A 24 9.359 -2.077 -12.385 1.00 0.00 H new ATOM 0 HA GLU A 24 9.588 -4.913 -12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.895 -3.276 -13.645 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.827 -2.864 -12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.547 -5.207 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.560 -5.672 -13.350 1.00 0.00 H new ATOM 363 N HIS A 25 10.920 -5.339 -10.004 1.00 0.00 N ATOM 364 CA HIS A 25 11.373 -5.624 -8.647 1.00 0.00 C ATOM 365 C HIS A 25 10.227 -5.481 -7.650 1.00 0.00 C ATOM 366 O HIS A 25 10.410 -4.962 -6.549 1.00 0.00 O ATOM 367 CB HIS A 25 12.519 -4.687 -8.262 1.00 0.00 C ATOM 368 CG HIS A 25 13.658 -4.703 -9.234 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.322 -5.856 -9.598 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.249 -3.698 -9.922 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.273 -5.559 -10.465 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.249 -4.256 -10.679 1.00 0.00 N ATOM 0 H HIS A 25 10.974 -6.133 -10.642 1.00 0.00 H new ATOM 0 HA HIS A 25 11.730 -6.654 -8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.135 -3.670 -8.182 1.00 0.00 H new ATOM 0 HB3 HIS A 25 12.890 -4.966 -7.276 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.983 -2.652 -9.883 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.954 -6.262 -10.921 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.873 -3.747 -11.305 1.00 0.00 H new ATOM 381 N VAL A 26 9.045 -5.943 -8.045 1.00 0.00 N ATOM 382 CA VAL A 26 7.869 -5.867 -7.186 1.00 0.00 C ATOM 383 C VAL A 26 6.973 -7.086 -7.372 1.00 0.00 C ATOM 384 O VAL A 26 6.366 -7.268 -8.428 1.00 0.00 O ATOM 385 CB VAL A 26 7.049 -4.594 -7.469 1.00 0.00 C ATOM 386 CG1 VAL A 26 5.814 -4.547 -6.583 1.00 0.00 C ATOM 387 CG2 VAL A 26 7.907 -3.353 -7.268 1.00 0.00 C ATOM 0 H VAL A 26 8.876 -6.374 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 26 8.230 -5.838 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 26 6.721 -4.617 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.247 -3.641 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.191 -5.420 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.117 -4.547 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.312 -2.463 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.266 -3.322 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.758 -3.385 -7.949 1.00 0.00 H new ATOM 397 N ASP A 27 6.895 -7.919 -6.340 1.00 0.00 N ATOM 398 CA ASP A 27 6.071 -9.122 -6.388 1.00 0.00 C ATOM 399 C ASP A 27 5.171 -9.213 -5.160 1.00 0.00 C ATOM 400 O ASP A 27 5.498 -9.894 -4.188 1.00 0.00 O ATOM 401 CB ASP A 27 6.954 -10.367 -6.482 1.00 0.00 C ATOM 402 CG ASP A 27 8.061 -10.216 -7.507 1.00 0.00 C ATOM 403 OD1 ASP A 27 7.892 -9.413 -8.449 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.097 -10.900 -7.368 1.00 0.00 O ATOM 0 H ASP A 27 7.392 -7.784 -5.460 1.00 0.00 H new ATOM 0 HA ASP A 27 5.440 -9.066 -7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.393 -10.572 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.337 -11.227 -6.742 1.00 0.00 H new ATOM 409 N ILE A 28 4.037 -8.522 -5.212 1.00 0.00 N ATOM 410 CA ILE A 28 3.090 -8.526 -4.104 1.00 0.00 C ATOM 411 C ILE A 28 2.357 -9.860 -4.011 1.00 0.00 C ATOM 412 O ILE A 28 1.313 -10.050 -4.635 1.00 0.00 O ATOM 413 CB ILE A 28 2.055 -7.393 -4.244 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.761 -6.046 -4.413 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.133 -7.366 -3.034 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.895 -4.987 -5.058 1.00 0.00 C ATOM 0 H ILE A 28 3.752 -7.953 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 28 3.669 -8.368 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 28 1.451 -7.579 -5.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.088 -5.691 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.657 -6.188 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.407 -6.561 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.609 -8.318 -2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.722 -7.200 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.460 -4.059 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.589 -5.321 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.011 -4.816 -4.444 1.00 0.00 H new ATOM 428 N GLN A 29 2.911 -10.779 -3.228 1.00 0.00 N ATOM 429 CA GLN A 29 2.308 -12.096 -3.053 1.00 0.00 C ATOM 430 C GLN A 29 1.534 -12.170 -1.741 1.00 0.00 C ATOM 431 O GLN A 29 0.486 -12.810 -1.664 1.00 0.00 O ATOM 432 CB GLN A 29 3.386 -13.181 -3.085 1.00 0.00 C ATOM 433 CG GLN A 29 4.111 -13.280 -4.417 1.00 0.00 C ATOM 434 CD GLN A 29 3.326 -14.062 -5.452 1.00 0.00 C ATOM 435 OE1 GLN A 29 3.529 -15.265 -5.623 1.00 0.00 O ATOM 436 NE2 GLN A 29 2.423 -13.382 -6.149 1.00 0.00 N ATOM 0 H GLN A 29 3.775 -10.637 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 29 1.611 -12.261 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.114 -12.981 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.928 -14.144 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.306 -12.277 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.079 -13.757 -4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.288 -12.386 -5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.864 -13.856 -6.859 1.00 0.00 H new ATOM 445 N ASN A 30 2.057 -11.512 -0.712 1.00 0.00 N ATOM 446 CA ASN A 30 1.415 -11.504 0.597 1.00 0.00 C ATOM 447 C ASN A 30 1.884 -10.312 1.426 1.00 0.00 C ATOM 448 O ASN A 30 2.993 -9.811 1.240 1.00 0.00 O ATOM 449 CB ASN A 30 1.713 -12.807 1.342 1.00 0.00 C ATOM 450 CG ASN A 30 3.070 -13.381 0.983 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.165 -14.448 0.377 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.129 -12.672 1.357 1.00 0.00 N ATOM 0 H ASN A 30 2.924 -10.977 -0.759 1.00 0.00 H new ATOM 0 HA ASN A 30 0.339 -11.418 0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.671 -12.626 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.939 -13.539 1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.068 -13.007 1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.003 -11.792 1.858 1.00 0.00 H new ATOM 459 N PHE A 31 1.032 -9.864 2.342 1.00 0.00 N ATOM 460 CA PHE A 31 1.359 -8.731 3.200 1.00 0.00 C ATOM 461 C PHE A 31 2.226 -9.171 4.376 1.00 0.00 C ATOM 462 O PHE A 31 2.013 -8.747 5.512 1.00 0.00 O ATOM 463 CB PHE A 31 0.079 -8.069 3.716 1.00 0.00 C ATOM 464 CG PHE A 31 -0.932 -7.799 2.639 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.808 -6.692 1.815 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.008 -8.652 2.450 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.736 -6.441 0.822 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.939 -8.406 1.459 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.804 -7.299 0.645 1.00 0.00 C ATOM 0 H PHE A 31 0.110 -10.268 2.509 1.00 0.00 H new ATOM 0 HA PHE A 31 1.921 -8.009 2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.372 -8.710 4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.337 -7.130 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.024 -6.017 1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.120 -9.519 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.626 -5.575 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.772 -9.079 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.532 -7.104 -0.129 1.00 0.00 H new ATOM 479 N SER A 32 3.205 -10.025 4.094 1.00 0.00 N ATOM 480 CA SER A 32 4.103 -10.527 5.128 1.00 0.00 C ATOM 481 C SER A 32 5.475 -9.869 5.022 1.00 0.00 C ATOM 482 O SER A 32 5.856 -9.062 5.870 1.00 0.00 O ATOM 483 CB SER A 32 4.243 -12.046 5.017 1.00 0.00 C ATOM 484 OG SER A 32 4.652 -12.612 6.251 1.00 0.00 O ATOM 0 H SER A 32 3.397 -10.384 3.159 1.00 0.00 H new ATOM 0 HA SER A 32 3.675 -10.279 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.291 -12.481 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.969 -12.292 4.242 1.00 0.00 H new ATOM 0 HG SER A 32 4.733 -13.584 6.154 1.00 0.00 H new ATOM 490 N SER A 33 6.214 -10.221 3.974 1.00 0.00 N ATOM 491 CA SER A 33 7.546 -9.668 3.758 1.00 0.00 C ATOM 492 C SER A 33 7.722 -9.226 2.308 1.00 0.00 C ATOM 493 O SER A 33 8.838 -9.184 1.792 1.00 0.00 O ATOM 494 CB SER A 33 8.615 -10.701 4.121 1.00 0.00 C ATOM 495 OG SER A 33 8.406 -11.917 3.425 1.00 0.00 O ATOM 0 H SER A 33 5.913 -10.886 3.262 1.00 0.00 H new ATOM 0 HA SER A 33 7.659 -8.796 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.603 -10.306 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.597 -10.885 5.195 1.00 0.00 H new ATOM 0 HG SER A 33 9.103 -12.560 3.673 1.00 0.00 H new ATOM 501 N SER A 34 6.610 -8.897 1.658 1.00 0.00 N ATOM 502 CA SER A 34 6.640 -8.461 0.266 1.00 0.00 C ATOM 503 C SER A 34 6.905 -6.962 0.172 1.00 0.00 C ATOM 504 O SER A 34 7.387 -6.469 -0.847 1.00 0.00 O ATOM 505 CB SER A 34 5.318 -8.802 -0.425 1.00 0.00 C ATOM 506 OG SER A 34 5.189 -10.200 -0.618 1.00 0.00 O ATOM 0 H SER A 34 5.678 -8.924 2.072 1.00 0.00 H new ATOM 0 HA SER A 34 7.451 -8.987 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.485 -8.436 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.265 -8.292 -1.387 1.00 0.00 H new ATOM 0 HG SER A 34 5.419 -10.425 -1.544 1.00 0.00 H new ATOM 512 N TRP A 35 6.585 -6.243 1.242 1.00 0.00 N ATOM 513 CA TRP A 35 6.788 -4.799 1.281 1.00 0.00 C ATOM 514 C TRP A 35 8.054 -4.448 2.054 1.00 0.00 C ATOM 515 O TRP A 35 8.667 -3.407 1.819 1.00 0.00 O ATOM 516 CB TRP A 35 5.580 -4.111 1.918 1.00 0.00 C ATOM 517 CG TRP A 35 4.270 -4.555 1.340 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.748 -5.817 1.368 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.318 -3.740 0.648 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.529 -5.836 0.734 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.242 -4.574 0.285 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.268 -2.387 0.302 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.132 -4.097 -0.408 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.166 -1.916 -0.386 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.110 -2.769 -0.735 1.00 0.00 C ATOM 0 H TRP A 35 6.184 -6.636 2.094 1.00 0.00 H new ATOM 0 HA TRP A 35 6.901 -4.445 0.256 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.582 -4.309 2.990 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.677 -3.033 1.793 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.224 -6.674 1.822 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.934 -6.656 0.617 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.076 -1.721 0.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.317 -4.753 -0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.118 -0.872 -0.660 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.263 -2.370 -1.273 1.00 0.00 H new ATOM 536 N SER A 36 8.441 -5.323 2.976 1.00 0.00 N ATOM 537 CA SER A 36 9.634 -5.103 3.786 1.00 0.00 C ATOM 538 C SER A 36 10.745 -4.467 2.956 1.00 0.00 C ATOM 539 O SER A 36 11.544 -3.682 3.466 1.00 0.00 O ATOM 540 CB SER A 36 10.121 -6.424 4.385 1.00 0.00 C ATOM 541 OG SER A 36 10.431 -7.361 3.368 1.00 0.00 O ATOM 0 H SER A 36 7.946 -6.191 3.181 1.00 0.00 H new ATOM 0 HA SER A 36 9.373 -4.420 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.003 -6.245 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.353 -6.835 5.041 1.00 0.00 H new ATOM 0 HG SER A 36 9.602 -7.685 2.958 1.00 0.00 H new ATOM 547 N ASP A 37 10.788 -4.814 1.674 1.00 0.00 N ATOM 548 CA ASP A 37 11.800 -4.277 0.771 1.00 0.00 C ATOM 549 C ASP A 37 11.780 -2.752 0.777 1.00 0.00 C ATOM 550 O ASP A 37 12.807 -2.109 0.992 1.00 0.00 O ATOM 551 CB ASP A 37 11.573 -4.797 -0.650 1.00 0.00 C ATOM 552 CG ASP A 37 10.244 -4.348 -1.225 1.00 0.00 C ATOM 553 OD1 ASP A 37 9.238 -4.377 -0.485 1.00 0.00 O ATOM 554 OD2 ASP A 37 10.209 -3.968 -2.414 1.00 0.00 O ATOM 0 H ASP A 37 10.135 -5.464 1.237 1.00 0.00 H new ATOM 0 HA ASP A 37 12.777 -4.611 1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.380 -4.449 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.615 -5.886 -0.646 1.00 0.00 H new ATOM 559 N GLY A 38 10.604 -2.179 0.540 1.00 0.00 N ATOM 560 CA GLY A 38 10.474 -0.734 0.522 1.00 0.00 C ATOM 561 C GLY A 38 9.831 -0.226 -0.754 1.00 0.00 C ATOM 562 O GLY A 38 8.715 0.293 -0.730 1.00 0.00 O ATOM 0 H GLY A 38 9.739 -2.690 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.878 -0.415 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.460 -0.282 0.634 1.00 0.00 H new ATOM 566 N MET A 39 10.536 -0.374 -1.870 1.00 0.00 N ATOM 567 CA MET A 39 10.027 0.074 -3.161 1.00 0.00 C ATOM 568 C MET A 39 8.546 -0.261 -3.307 1.00 0.00 C ATOM 569 O MET A 39 7.749 0.579 -3.723 1.00 0.00 O ATOM 570 CB MET A 39 10.823 -0.569 -4.298 1.00 0.00 C ATOM 571 CG MET A 39 12.309 -0.253 -4.255 1.00 0.00 C ATOM 572 SD MET A 39 13.199 -0.906 -5.681 1.00 0.00 S ATOM 573 CE MET A 39 13.397 0.578 -6.665 1.00 0.00 C ATOM 0 H MET A 39 11.462 -0.801 -1.907 1.00 0.00 H new ATOM 0 HA MET A 39 10.143 1.157 -3.214 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.689 -1.650 -4.258 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.416 -0.232 -5.251 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.446 0.827 -4.210 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.738 -0.667 -3.343 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.836 0.320 -7.629 1.00 0.00 H new ATOM 0 HE2 MET A 39 12.424 1.043 -6.822 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.052 1.276 -6.144 1.00 0.00 H new ATOM 583 N ALA A 40 8.186 -1.493 -2.963 1.00 0.00 N ATOM 584 CA ALA A 40 6.801 -1.938 -3.055 1.00 0.00 C ATOM 585 C ALA A 40 5.837 -0.803 -2.726 1.00 0.00 C ATOM 586 O ALA A 40 5.124 -0.307 -3.599 1.00 0.00 O ATOM 587 CB ALA A 40 6.564 -3.120 -2.127 1.00 0.00 C ATOM 0 H ALA A 40 8.834 -2.201 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 40 6.614 -2.253 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.526 -3.442 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.221 -3.942 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.775 -2.824 -1.099 1.00 0.00 H new ATOM 593 N PHE A 41 5.820 -0.395 -1.461 1.00 0.00 N ATOM 594 CA PHE A 41 4.942 0.681 -1.016 1.00 0.00 C ATOM 595 C PHE A 41 4.966 1.845 -2.002 1.00 0.00 C ATOM 596 O PHE A 41 3.930 2.238 -2.540 1.00 0.00 O ATOM 597 CB PHE A 41 5.358 1.166 0.374 1.00 0.00 C ATOM 598 CG PHE A 41 4.679 0.431 1.494 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.330 0.618 1.745 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.391 -0.447 2.296 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.702 -0.057 2.775 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.768 -1.125 3.326 1.00 0.00 C ATOM 603 CZ PHE A 41 3.422 -0.929 3.567 1.00 0.00 C ATOM 0 H PHE A 41 6.404 -0.793 -0.726 1.00 0.00 H new ATOM 0 HA PHE A 41 3.926 0.290 -0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.437 1.057 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.135 2.230 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.762 1.299 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.444 -0.603 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.649 0.098 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.333 -1.808 3.943 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.934 -1.457 4.373 1.00 0.00 H new ATOM 613 N CYS A 42 6.154 2.391 -2.234 1.00 0.00 N ATOM 614 CA CYS A 42 6.314 3.512 -3.154 1.00 0.00 C ATOM 615 C CYS A 42 5.580 3.248 -4.465 1.00 0.00 C ATOM 616 O CYS A 42 4.622 3.943 -4.802 1.00 0.00 O ATOM 617 CB CYS A 42 7.797 3.766 -3.428 1.00 0.00 C ATOM 618 SG CYS A 42 8.640 4.693 -2.124 1.00 0.00 S ATOM 0 H CYS A 42 7.021 2.076 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 42 5.881 4.397 -2.688 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.300 2.808 -3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.894 4.311 -4.367 1.00 0.00 H new ATOM 0 HG CYS A 42 8.754 3.947 -1.065 1.00 0.00 H new ATOM 624 N ALA A 43 6.038 2.240 -5.201 1.00 0.00 N ATOM 625 CA ALA A 43 5.425 1.885 -6.474 1.00 0.00 C ATOM 626 C ALA A 43 3.919 2.120 -6.444 1.00 0.00 C ATOM 627 O ALA A 43 3.397 2.967 -7.171 1.00 0.00 O ATOM 628 CB ALA A 43 5.727 0.434 -6.818 1.00 0.00 C ATOM 0 H ALA A 43 6.831 1.656 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 43 5.851 2.527 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.263 0.182 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.806 0.294 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.329 -0.215 -6.038 1.00 0.00 H new ATOM 634 N LEU A 44 3.224 1.367 -5.598 1.00 0.00 N ATOM 635 CA LEU A 44 1.776 1.494 -5.473 1.00 0.00 C ATOM 636 C LEU A 44 1.355 2.960 -5.476 1.00 0.00 C ATOM 637 O LEU A 44 0.446 3.354 -6.206 1.00 0.00 O ATOM 638 CB LEU A 44 1.294 0.815 -4.190 1.00 0.00 C ATOM 639 CG LEU A 44 -0.193 0.969 -3.867 1.00 0.00 C ATOM 640 CD1 LEU A 44 -1.043 0.286 -4.927 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.500 0.404 -2.488 1.00 0.00 C ATOM 0 H LEU A 44 3.640 0.662 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 44 1.317 1.003 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.522 -0.249 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.870 1.212 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.437 2.031 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.098 0.406 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.844 0.737 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.797 -0.775 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.562 0.522 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.240 -0.654 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.082 0.939 -1.738 1.00 0.00 H new ATOM 653 N VAL A 45 2.025 3.764 -4.656 1.00 0.00 N ATOM 654 CA VAL A 45 1.723 5.187 -4.567 1.00 0.00 C ATOM 655 C VAL A 45 2.047 5.901 -5.874 1.00 0.00 C ATOM 656 O VAL A 45 1.167 6.482 -6.511 1.00 0.00 O ATOM 657 CB VAL A 45 2.507 5.856 -3.422 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.240 7.353 -3.395 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.149 5.218 -2.088 1.00 0.00 C ATOM 0 H VAL A 45 2.780 3.454 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 45 0.655 5.272 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 45 3.572 5.705 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.802 7.808 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.551 7.795 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.175 7.530 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.712 5.703 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.081 5.337 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.397 4.157 -2.114 1.00 0.00 H new ATOM 669 N HIS A 46 3.315 5.854 -6.269 1.00 0.00 N ATOM 670 CA HIS A 46 3.756 6.496 -7.503 1.00 0.00 C ATOM 671 C HIS A 46 2.698 6.360 -8.594 1.00 0.00 C ATOM 672 O HIS A 46 2.448 7.297 -9.350 1.00 0.00 O ATOM 673 CB HIS A 46 5.076 5.887 -7.976 1.00 0.00 C ATOM 674 CG HIS A 46 5.674 6.595 -9.153 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.986 5.957 -10.335 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.016 7.893 -9.325 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.496 6.833 -11.184 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.524 8.015 -10.595 1.00 0.00 N ATOM 0 H HIS A 46 4.055 5.378 -5.753 1.00 0.00 H new ATOM 0 HA HIS A 46 3.907 7.556 -7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.790 5.902 -7.152 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.912 4.841 -8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.909 8.685 -8.599 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.832 6.619 -12.188 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.867 8.879 -11.015 1.00 0.00 H new ATOM 687 N ASN A 47 2.082 5.184 -8.670 1.00 0.00 N ATOM 688 CA ASN A 47 1.052 4.925 -9.670 1.00 0.00 C ATOM 689 C ASN A 47 -0.039 5.989 -9.616 1.00 0.00 C ATOM 690 O ASN A 47 -0.444 6.532 -10.644 1.00 0.00 O ATOM 691 CB ASN A 47 0.441 3.539 -9.455 1.00 0.00 C ATOM 692 CG ASN A 47 -0.365 3.070 -10.651 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.190 2.769 -11.707 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.682 3.007 -10.489 1.00 0.00 N ATOM 0 H ASN A 47 2.278 4.397 -8.052 1.00 0.00 H new ATOM 0 HA ASN A 47 1.519 4.960 -10.654 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.236 2.822 -9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.200 3.560 -8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.276 2.699 -11.259 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.099 3.267 -9.595 1.00 0.00 H new ATOM 701 N PHE A 48 -0.512 6.283 -8.409 1.00 0.00 N ATOM 702 CA PHE A 48 -1.558 7.282 -8.220 1.00 0.00 C ATOM 703 C PHE A 48 -1.032 8.682 -8.520 1.00 0.00 C ATOM 704 O PHE A 48 -1.488 9.342 -9.454 1.00 0.00 O ATOM 705 CB PHE A 48 -2.096 7.222 -6.789 1.00 0.00 C ATOM 706 CG PHE A 48 -2.188 5.827 -6.240 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.618 4.781 -7.041 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.845 5.561 -4.925 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.705 3.496 -6.538 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.929 4.279 -4.417 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.359 3.245 -5.225 1.00 0.00 C ATOM 0 H PHE A 48 -0.188 5.844 -7.547 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.368 7.061 -8.915 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.451 7.816 -6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.085 7.680 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.888 4.972 -8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.508 6.366 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.043 2.689 -7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.659 4.086 -3.389 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.425 2.242 -4.831 1.00 0.00 H new ATOM 721 N PHE A 49 -0.070 9.130 -7.720 1.00 0.00 N ATOM 722 CA PHE A 49 0.518 10.453 -7.898 1.00 0.00 C ATOM 723 C PHE A 49 1.994 10.347 -8.270 1.00 0.00 C ATOM 724 O PHE A 49 2.878 10.360 -7.413 1.00 0.00 O ATOM 725 CB PHE A 49 0.360 11.280 -6.621 1.00 0.00 C ATOM 726 CG PHE A 49 -1.040 11.283 -6.077 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.464 10.284 -5.215 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.932 12.283 -6.428 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.752 10.283 -4.712 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.220 12.288 -5.928 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.631 11.286 -5.071 1.00 0.00 C ATOM 0 H PHE A 49 0.319 8.597 -6.942 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.008 10.951 -8.712 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.036 10.891 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.665 12.307 -6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.780 9.497 -4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.617 13.068 -7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.070 9.500 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.905 13.075 -6.207 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.639 11.287 -4.682 1.00 0.00 H new ATOM 741 N PRO A 50 2.268 10.239 -9.578 1.00 0.00 N ATOM 742 CA PRO A 50 3.635 10.129 -10.095 1.00 0.00 C ATOM 743 C PRO A 50 4.421 11.426 -9.937 1.00 0.00 C ATOM 744 O PRO A 50 5.623 11.406 -9.673 1.00 0.00 O ATOM 745 CB PRO A 50 3.430 9.804 -11.576 1.00 0.00 C ATOM 746 CG PRO A 50 2.088 10.362 -11.904 1.00 0.00 C ATOM 747 CD PRO A 50 1.263 10.217 -10.655 1.00 0.00 C ATOM 0 HA PRO A 50 4.215 9.379 -9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.208 10.256 -12.192 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.466 8.729 -11.754 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.163 11.407 -12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.634 9.824 -12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.545 11.030 -10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.694 9.287 -10.655 1.00 0.00 H new ATOM 755 N GLU A 51 3.734 12.552 -10.101 1.00 0.00 N ATOM 756 CA GLU A 51 4.369 13.859 -9.977 1.00 0.00 C ATOM 757 C GLU A 51 4.723 14.156 -8.523 1.00 0.00 C ATOM 758 O GLU A 51 5.661 14.901 -8.241 1.00 0.00 O ATOM 759 CB GLU A 51 3.449 14.952 -10.524 1.00 0.00 C ATOM 760 CG GLU A 51 2.107 15.029 -9.814 1.00 0.00 C ATOM 761 CD GLU A 51 1.385 16.337 -10.072 1.00 0.00 C ATOM 762 OE1 GLU A 51 0.991 16.577 -11.233 1.00 0.00 O ATOM 763 OE2 GLU A 51 1.213 17.119 -9.115 1.00 0.00 O ATOM 0 H GLU A 51 2.738 12.586 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 51 5.289 13.844 -10.561 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.952 15.915 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.279 14.775 -11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.479 14.201 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.260 14.908 -8.742 1.00 0.00 H new ATOM 770 N ALA A 52 3.965 13.568 -7.604 1.00 0.00 N ATOM 771 CA ALA A 52 4.198 13.768 -6.179 1.00 0.00 C ATOM 772 C ALA A 52 5.640 13.440 -5.808 1.00 0.00 C ATOM 773 O ALA A 52 6.245 14.113 -4.973 1.00 0.00 O ATOM 774 CB ALA A 52 3.235 12.920 -5.362 1.00 0.00 C ATOM 0 H ALA A 52 3.184 12.949 -7.821 1.00 0.00 H new ATOM 0 HA ALA A 52 4.021 14.819 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.421 13.080 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.210 13.205 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.384 11.867 -5.602 1.00 0.00 H new ATOM 780 N PHE A 53 6.186 12.402 -6.432 1.00 0.00 N ATOM 781 CA PHE A 53 7.557 11.984 -6.166 1.00 0.00 C ATOM 782 C PHE A 53 8.043 11.002 -7.229 1.00 0.00 C ATOM 783 O PHE A 53 7.269 10.194 -7.743 1.00 0.00 O ATOM 784 CB PHE A 53 7.657 11.343 -4.780 1.00 0.00 C ATOM 785 CG PHE A 53 7.183 9.918 -4.743 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.852 9.611 -4.973 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.069 8.886 -4.478 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.413 8.301 -4.939 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.636 7.574 -4.443 1.00 0.00 C ATOM 790 CZ PHE A 53 6.306 7.281 -4.674 1.00 0.00 C ATOM 0 H PHE A 53 5.700 11.834 -7.126 1.00 0.00 H new ATOM 0 HA PHE A 53 8.193 12.869 -6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.693 11.382 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.071 11.931 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.149 10.404 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.110 9.110 -4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.372 8.075 -5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.337 6.779 -4.235 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.965 6.257 -4.647 1.00 0.00 H new ATOM 800 N ASP A 54 9.328 11.080 -7.553 1.00 0.00 N ATOM 801 CA ASP A 54 9.919 10.199 -8.554 1.00 0.00 C ATOM 802 C ASP A 54 10.210 8.823 -7.963 1.00 0.00 C ATOM 803 O ASP A 54 10.714 8.711 -6.845 1.00 0.00 O ATOM 804 CB ASP A 54 11.205 10.812 -9.110 1.00 0.00 C ATOM 805 CG ASP A 54 10.945 11.747 -10.275 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.381 12.837 -10.045 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.304 11.388 -11.416 1.00 0.00 O ATOM 0 H ASP A 54 9.981 11.744 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 54 9.202 10.081 -9.367 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.716 11.358 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.875 10.014 -9.431 1.00 0.00 H new ATOM 812 N TYR A 55 9.890 7.780 -8.720 1.00 0.00 N ATOM 813 CA TYR A 55 10.115 6.411 -8.270 1.00 0.00 C ATOM 814 C TYR A 55 11.513 5.935 -8.651 1.00 0.00 C ATOM 815 O TYR A 55 12.335 5.630 -7.787 1.00 0.00 O ATOM 816 CB TYR A 55 9.064 5.476 -8.871 1.00 0.00 C ATOM 817 CG TYR A 55 9.404 4.010 -8.723 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.256 3.362 -7.503 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.873 3.273 -9.804 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.566 2.023 -7.363 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.183 1.933 -9.673 1.00 0.00 C ATOM 822 CZ TYR A 55 10.028 1.312 -8.451 1.00 0.00 C ATOM 823 OH TYR A 55 10.338 -0.022 -8.317 1.00 0.00 O ATOM 0 H TYR A 55 9.474 7.856 -9.648 1.00 0.00 H new ATOM 0 HA TYR A 55 10.029 6.394 -7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.103 5.668 -8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.946 5.708 -9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.892 3.915 -6.649 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.997 3.756 -10.762 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.447 1.535 -6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.545 1.374 -10.523 1.00 0.00 H new ATOM 0 HH TYR A 55 10.648 -0.374 -9.178 1.00 0.00 H new ATOM 833 N GLY A 56 11.777 5.874 -9.953 1.00 0.00 N ATOM 834 CA GLY A 56 13.076 5.434 -10.427 1.00 0.00 C ATOM 835 C GLY A 56 14.217 6.023 -9.621 1.00 0.00 C ATOM 836 O GLY A 56 15.226 5.359 -9.386 1.00 0.00 O ATOM 0 H GLY A 56 11.114 6.122 -10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.127 4.346 -10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.192 5.715 -11.474 1.00 0.00 H new ATOM 840 N GLN A 57 14.057 7.273 -9.198 1.00 0.00 N ATOM 841 CA GLN A 57 15.084 7.951 -8.416 1.00 0.00 C ATOM 842 C GLN A 57 15.411 7.166 -7.150 1.00 0.00 C ATOM 843 O GLN A 57 16.571 7.069 -6.748 1.00 0.00 O ATOM 844 CB GLN A 57 14.627 9.364 -8.051 1.00 0.00 C ATOM 845 CG GLN A 57 14.780 10.365 -9.185 1.00 0.00 C ATOM 846 CD GLN A 57 16.224 10.762 -9.421 1.00 0.00 C ATOM 847 OE1 GLN A 57 17.008 9.993 -9.979 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.584 11.968 -8.998 1.00 0.00 N ATOM 0 H GLN A 57 13.227 7.836 -9.383 1.00 0.00 H new ATOM 0 HA GLN A 57 15.986 8.015 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.581 9.331 -7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.200 9.711 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.370 9.937 -10.100 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.194 11.256 -8.960 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.902 12.573 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.543 12.290 -9.131 1.00 0.00 H new ATOM 857 N LEU A 58 14.380 6.608 -6.524 1.00 0.00 N ATOM 858 CA LEU A 58 14.557 5.831 -5.302 1.00 0.00 C ATOM 859 C LEU A 58 15.396 4.585 -5.565 1.00 0.00 C ATOM 860 O LEU A 58 15.417 4.063 -6.680 1.00 0.00 O ATOM 861 CB LEU A 58 13.197 5.432 -4.726 1.00 0.00 C ATOM 862 CG LEU A 58 12.172 6.558 -4.586 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.758 6.004 -4.657 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.385 7.314 -3.282 1.00 0.00 C ATOM 0 H LEU A 58 13.414 6.679 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 58 15.083 6.454 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.770 4.655 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.357 4.989 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 58 12.310 7.254 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.042 6.820 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.609 5.508 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.607 5.287 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.647 8.112 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.274 6.629 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.387 7.744 -3.270 1.00 0.00 H new ATOM 876 N SER A 59 16.085 4.111 -4.532 1.00 0.00 N ATOM 877 CA SER A 59 16.926 2.927 -4.652 1.00 0.00 C ATOM 878 C SER A 59 16.388 1.789 -3.790 1.00 0.00 C ATOM 879 O SER A 59 15.759 2.004 -2.754 1.00 0.00 O ATOM 880 CB SER A 59 18.364 3.254 -4.245 1.00 0.00 C ATOM 881 OG SER A 59 19.015 4.019 -5.245 1.00 0.00 O ATOM 0 H SER A 59 16.077 4.530 -3.602 1.00 0.00 H new ATOM 0 HA SER A 59 16.914 2.607 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.363 3.805 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.916 2.330 -4.073 1.00 0.00 H new ATOM 0 HG SER A 59 19.932 4.217 -4.961 1.00 0.00 H new ATOM 887 N PRO A 60 16.642 0.546 -4.226 1.00 0.00 N ATOM 888 CA PRO A 60 16.193 -0.652 -3.510 1.00 0.00 C ATOM 889 C PRO A 60 16.940 -0.856 -2.197 1.00 0.00 C ATOM 890 O PRO A 60 16.368 -1.328 -1.215 1.00 0.00 O ATOM 891 CB PRO A 60 16.508 -1.788 -4.487 1.00 0.00 C ATOM 892 CG PRO A 60 17.620 -1.266 -5.329 1.00 0.00 C ATOM 893 CD PRO A 60 17.386 0.214 -5.453 1.00 0.00 C ATOM 0 HA PRO A 60 15.141 -0.590 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.804 -2.694 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.638 -2.042 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.587 -1.471 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.625 -1.744 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.324 0.765 -5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.813 0.457 -6.348 1.00 0.00 H new ATOM 901 N GLN A 61 18.220 -0.496 -2.187 1.00 0.00 N ATOM 902 CA GLN A 61 19.044 -0.641 -0.993 1.00 0.00 C ATOM 903 C GLN A 61 18.479 0.180 0.161 1.00 0.00 C ATOM 904 O GLN A 61 18.597 -0.204 1.324 1.00 0.00 O ATOM 905 CB GLN A 61 20.482 -0.210 -1.286 1.00 0.00 C ATOM 906 CG GLN A 61 21.379 -0.211 -0.059 1.00 0.00 C ATOM 907 CD GLN A 61 22.852 -0.134 -0.412 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.249 0.615 -1.305 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.670 -0.911 0.288 1.00 0.00 N ATOM 0 H GLN A 61 18.708 -0.102 -2.992 1.00 0.00 H new ATOM 0 HA GLN A 61 19.039 -1.692 -0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.907 -0.877 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.472 0.791 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.117 0.634 0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.195 -1.116 0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.297 -1.516 1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.671 -0.903 0.094 1.00 0.00 H new ATOM 918 N ASN A 62 17.867 1.313 -0.169 1.00 0.00 N ATOM 919 CA ASN A 62 17.284 2.189 0.841 1.00 0.00 C ATOM 920 C ASN A 62 16.077 1.530 1.502 1.00 0.00 C ATOM 921 O ASN A 62 15.059 1.286 0.855 1.00 0.00 O ATOM 922 CB ASN A 62 16.872 3.522 0.213 1.00 0.00 C ATOM 923 CG ASN A 62 17.995 4.541 0.231 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.755 4.627 1.195 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.103 5.320 -0.839 1.00 0.00 N ATOM 0 H ASN A 62 17.762 1.646 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 62 18.038 2.373 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.555 3.353 -0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.012 3.923 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.839 6.025 -0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.450 5.213 -1.615 1.00 0.00 H new ATOM 932 N ARG A 63 16.199 1.246 2.795 1.00 0.00 N ATOM 933 CA ARG A 63 15.119 0.615 3.543 1.00 0.00 C ATOM 934 C ARG A 63 14.204 1.665 4.167 1.00 0.00 C ATOM 935 O ARG A 63 12.980 1.543 4.120 1.00 0.00 O ATOM 936 CB ARG A 63 15.688 -0.293 4.634 1.00 0.00 C ATOM 937 CG ARG A 63 16.664 -1.335 4.112 1.00 0.00 C ATOM 938 CD ARG A 63 15.990 -2.294 3.143 1.00 0.00 C ATOM 939 NE ARG A 63 16.702 -3.565 3.046 1.00 0.00 N ATOM 940 CZ ARG A 63 16.723 -4.471 4.017 1.00 0.00 C ATOM 941 NH1 ARG A 63 16.075 -4.248 5.152 1.00 0.00 N ATOM 942 NH2 ARG A 63 17.394 -5.604 3.854 1.00 0.00 N ATOM 0 H ARG A 63 17.035 1.443 3.346 1.00 0.00 H new ATOM 0 HA ARG A 63 14.533 0.013 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.191 0.322 5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.865 -0.799 5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 63 17.496 -0.838 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.082 -1.895 4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.965 -2.476 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.935 -1.833 2.157 1.00 0.00 H new ATOM 0 HE ARG A 63 17.211 -3.768 2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.558 -3.378 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.093 -4.946 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.894 -5.780 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.410 -6.299 4.600 1.00 0.00 H new ATOM 956 N ARG A 64 14.807 2.696 4.750 1.00 0.00 N ATOM 957 CA ARG A 64 14.047 3.766 5.385 1.00 0.00 C ATOM 958 C ARG A 64 13.335 4.620 4.340 1.00 0.00 C ATOM 959 O ARG A 64 12.106 4.645 4.278 1.00 0.00 O ATOM 960 CB ARG A 64 14.971 4.643 6.232 1.00 0.00 C ATOM 961 CG ARG A 64 15.557 3.925 7.436 1.00 0.00 C ATOM 962 CD ARG A 64 16.674 4.732 8.078 1.00 0.00 C ATOM 963 NE ARG A 64 16.163 5.708 9.037 1.00 0.00 N ATOM 964 CZ ARG A 64 16.942 6.437 9.829 1.00 0.00 C ATOM 965 NH1 ARG A 64 18.260 6.303 9.775 1.00 0.00 N ATOM 966 NH2 ARG A 64 16.402 7.304 10.676 1.00 0.00 N ATOM 0 H ARG A 64 15.819 2.813 4.796 1.00 0.00 H new ATOM 0 HA ARG A 64 13.296 3.311 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.785 5.009 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.416 5.516 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.772 3.742 8.169 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.940 2.952 7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.366 4.057 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.240 5.248 7.303 1.00 0.00 H new ATOM 0 HE ARG A 64 15.153 5.837 9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.679 5.639 9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.855 6.864 10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.389 7.411 10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.000 7.863 11.284 1.00 0.00 H new ATOM 980 N GLN A 65 14.115 5.319 3.522 1.00 0.00 N ATOM 981 CA GLN A 65 13.559 6.175 2.481 1.00 0.00 C ATOM 982 C GLN A 65 12.356 5.512 1.817 1.00 0.00 C ATOM 983 O GLN A 65 11.235 6.010 1.903 1.00 0.00 O ATOM 984 CB GLN A 65 14.624 6.496 1.431 1.00 0.00 C ATOM 985 CG GLN A 65 14.400 7.823 0.724 1.00 0.00 C ATOM 986 CD GLN A 65 15.481 8.131 -0.293 1.00 0.00 C ATOM 987 OE1 GLN A 65 15.470 7.607 -1.407 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.424 8.986 0.085 1.00 0.00 N ATOM 0 H GLN A 65 15.134 5.309 3.560 1.00 0.00 H new ATOM 0 HA GLN A 65 13.228 7.103 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.603 6.510 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.644 5.697 0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.431 7.806 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.363 8.623 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.395 9.397 1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.177 9.231 -0.558 1.00 0.00 H new ATOM 997 N ASN A 66 12.599 4.386 1.154 1.00 0.00 N ATOM 998 CA ASN A 66 11.536 3.655 0.473 1.00 0.00 C ATOM 999 C ASN A 66 10.237 3.715 1.272 1.00 0.00 C ATOM 1000 O ASN A 66 9.167 3.968 0.720 1.00 0.00 O ATOM 1001 CB ASN A 66 11.948 2.198 0.257 1.00 0.00 C ATOM 1002 CG ASN A 66 12.911 2.036 -0.904 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.123 2.965 -1.683 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.499 0.851 -1.023 1.00 0.00 N ATOM 0 H ASN A 66 13.522 3.960 1.074 1.00 0.00 H new ATOM 0 HA ASN A 66 11.368 4.125 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.412 1.816 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.059 1.595 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.157 0.682 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.293 0.110 -0.353 1.00 0.00 H new ATOM 1011 N PHE A 67 10.340 3.480 2.576 1.00 0.00 N ATOM 1012 CA PHE A 67 9.175 3.507 3.452 1.00 0.00 C ATOM 1013 C PHE A 67 8.657 4.932 3.626 1.00 0.00 C ATOM 1014 O PHE A 67 7.499 5.223 3.327 1.00 0.00 O ATOM 1015 CB PHE A 67 9.522 2.908 4.817 1.00 0.00 C ATOM 1016 CG PHE A 67 9.509 1.406 4.834 1.00 0.00 C ATOM 1017 CD1 PHE A 67 10.322 0.684 3.976 1.00 0.00 C ATOM 1018 CD2 PHE A 67 8.683 0.717 5.708 1.00 0.00 C ATOM 1019 CE1 PHE A 67 10.311 -0.698 3.989 1.00 0.00 C ATOM 1020 CE2 PHE A 67 8.668 -0.665 5.726 1.00 0.00 C ATOM 1021 CZ PHE A 67 9.484 -1.373 4.866 1.00 0.00 C ATOM 0 H PHE A 67 11.219 3.269 3.049 1.00 0.00 H new ATOM 0 HA PHE A 67 8.390 2.908 2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.509 3.258 5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.813 3.278 5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.972 1.207 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.044 1.266 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.948 -1.250 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.019 -1.190 6.411 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.476 -2.453 4.879 1.00 0.00 H new ATOM 1031 N GLU A 68 9.524 5.815 4.111 1.00 0.00 N ATOM 1032 CA GLU A 68 9.154 7.209 4.326 1.00 0.00 C ATOM 1033 C GLU A 68 8.527 7.805 3.069 1.00 0.00 C ATOM 1034 O GLU A 68 7.318 8.032 3.013 1.00 0.00 O ATOM 1035 CB GLU A 68 10.380 8.028 4.735 1.00 0.00 C ATOM 1036 CG GLU A 68 11.088 7.490 5.967 1.00 0.00 C ATOM 1037 CD GLU A 68 10.375 7.853 7.255 1.00 0.00 C ATOM 1038 OE1 GLU A 68 9.712 8.911 7.289 1.00 0.00 O ATOM 1039 OE2 GLU A 68 10.479 7.078 8.229 1.00 0.00 O ATOM 0 H GLU A 68 10.487 5.590 4.362 1.00 0.00 H new ATOM 0 HA GLU A 68 8.419 7.243 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.084 8.052 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.073 9.057 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.165 6.405 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.105 7.881 5.997 1.00 0.00 H new ATOM 1046 N VAL A 69 9.358 8.057 2.063 1.00 0.00 N ATOM 1047 CA VAL A 69 8.886 8.627 0.806 1.00 0.00 C ATOM 1048 C VAL A 69 7.501 8.097 0.449 1.00 0.00 C ATOM 1049 O VAL A 69 6.580 8.869 0.184 1.00 0.00 O ATOM 1050 CB VAL A 69 9.856 8.318 -0.349 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.308 8.852 -1.664 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.231 8.901 -0.060 1.00 0.00 C ATOM 0 H VAL A 69 10.361 7.876 2.094 1.00 0.00 H new ATOM 0 HA VAL A 69 8.834 9.707 0.947 1.00 0.00 H new ATOM 0 HB VAL A 69 9.956 7.236 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.007 8.624 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.347 8.383 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.177 9.932 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.904 8.673 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.151 9.982 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.625 8.466 0.859 1.00 0.00 H new ATOM 1062 N ALA A 70 7.363 6.776 0.443 1.00 0.00 N ATOM 1063 CA ALA A 70 6.090 6.142 0.121 1.00 0.00 C ATOM 1064 C ALA A 70 4.964 6.704 0.980 1.00 0.00 C ATOM 1065 O ALA A 70 3.871 6.983 0.486 1.00 0.00 O ATOM 1066 CB ALA A 70 6.191 4.635 0.299 1.00 0.00 C ATOM 0 H ALA A 70 8.117 6.123 0.657 1.00 0.00 H new ATOM 0 HA ALA A 70 5.858 6.359 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.233 4.175 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.962 4.241 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.450 4.407 1.333 1.00 0.00 H new ATOM 1072 N PHE A 71 5.236 6.869 2.271 1.00 0.00 N ATOM 1073 CA PHE A 71 4.244 7.396 3.200 1.00 0.00 C ATOM 1074 C PHE A 71 3.985 8.877 2.937 1.00 0.00 C ATOM 1075 O PHE A 71 2.917 9.255 2.455 1.00 0.00 O ATOM 1076 CB PHE A 71 4.710 7.197 4.644 1.00 0.00 C ATOM 1077 CG PHE A 71 4.845 5.754 5.037 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.819 4.856 4.792 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.999 5.295 5.652 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.940 3.527 5.151 1.00 0.00 C ATOM 1081 CE2 PHE A 71 6.126 3.967 6.014 1.00 0.00 C ATOM 1082 CZ PHE A 71 5.095 3.083 5.764 1.00 0.00 C ATOM 0 H PHE A 71 6.135 6.645 2.697 1.00 0.00 H new ATOM 0 HA PHE A 71 3.313 6.850 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.671 7.693 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.003 7.684 5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.913 5.199 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.808 5.982 5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.133 2.837 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.031 3.621 6.492 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.192 2.045 6.048 1.00 0.00 H new ATOM 1092 N SER A 72 4.970 9.710 3.257 1.00 0.00 N ATOM 1093 CA SER A 72 4.848 11.149 3.060 1.00 0.00 C ATOM 1094 C SER A 72 4.224 11.461 1.703 1.00 0.00 C ATOM 1095 O SER A 72 3.201 12.139 1.619 1.00 0.00 O ATOM 1096 CB SER A 72 6.220 11.818 3.169 1.00 0.00 C ATOM 1097 OG SER A 72 6.105 13.230 3.113 1.00 0.00 O ATOM 0 H SER A 72 5.861 9.413 3.654 1.00 0.00 H new ATOM 0 HA SER A 72 4.196 11.543 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.697 11.526 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.863 11.470 2.361 1.00 0.00 H new ATOM 0 HG SER A 72 6.995 13.634 3.186 1.00 0.00 H new ATOM 1103 N SER A 73 4.850 10.960 0.642 1.00 0.00 N ATOM 1104 CA SER A 73 4.359 11.187 -0.712 1.00 0.00 C ATOM 1105 C SER A 73 2.835 11.230 -0.738 1.00 0.00 C ATOM 1106 O SER A 73 2.238 12.089 -1.386 1.00 0.00 O ATOM 1107 CB SER A 73 4.866 10.090 -1.651 1.00 0.00 C ATOM 1108 OG SER A 73 4.431 8.811 -1.222 1.00 0.00 O ATOM 0 H SER A 73 5.697 10.395 0.694 1.00 0.00 H new ATOM 0 HA SER A 73 4.737 12.151 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.508 10.279 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.955 10.114 -1.689 1.00 0.00 H new ATOM 0 HG SER A 73 4.964 8.526 -0.451 1.00 0.00 H new ATOM 1114 N ALA A 74 2.210 10.296 -0.027 1.00 0.00 N ATOM 1115 CA ALA A 74 0.756 10.228 0.034 1.00 0.00 C ATOM 1116 C ALA A 74 0.188 11.359 0.885 1.00 0.00 C ATOM 1117 O ALA A 74 -0.701 12.089 0.450 1.00 0.00 O ATOM 1118 CB ALA A 74 0.313 8.879 0.582 1.00 0.00 C ATOM 0 H ALA A 74 2.689 9.576 0.514 1.00 0.00 H new ATOM 0 HA ALA A 74 0.369 10.341 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.776 8.842 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.679 8.084 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.718 8.743 1.585 1.00 0.00 H new ATOM 1124 N GLU A 75 0.708 11.496 2.101 1.00 0.00 N ATOM 1125 CA GLU A 75 0.251 12.538 3.013 1.00 0.00 C ATOM 1126 C GLU A 75 0.340 13.913 2.358 1.00 0.00 C ATOM 1127 O GLU A 75 -0.266 14.878 2.825 1.00 0.00 O ATOM 1128 CB GLU A 75 1.079 12.520 4.300 1.00 0.00 C ATOM 1129 CG GLU A 75 0.532 13.427 5.389 1.00 0.00 C ATOM 1130 CD GLU A 75 1.531 13.670 6.503 1.00 0.00 C ATOM 1131 OE1 GLU A 75 1.928 12.690 7.168 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.917 14.839 6.710 1.00 0.00 O ATOM 0 H GLU A 75 1.445 10.899 2.477 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.792 12.338 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.124 11.499 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.101 12.820 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.244 14.382 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.371 12.983 5.807 1.00 0.00 H new ATOM 1139 N THR A 76 1.103 13.996 1.271 1.00 0.00 N ATOM 1140 CA THR A 76 1.274 15.252 0.552 1.00 0.00 C ATOM 1141 C THR A 76 -0.073 15.873 0.202 1.00 0.00 C ATOM 1142 O THR A 76 -0.359 17.011 0.574 1.00 0.00 O ATOM 1143 CB THR A 76 2.086 15.052 -0.742 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.312 14.372 -0.450 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.386 16.388 -1.404 1.00 0.00 C ATOM 0 H THR A 76 1.612 13.208 0.870 1.00 0.00 H new ATOM 0 HA THR A 76 1.819 15.924 1.215 1.00 0.00 H new ATOM 0 HB THR A 76 1.492 14.450 -1.429 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.822 14.247 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.960 16.222 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.450 16.890 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.963 17.011 -0.721 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.899 15.118 -0.516 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.218 15.595 -0.916 1.00 0.00 C ATOM 1155 C HIS A 77 -3.314 14.689 -0.363 1.00 0.00 C ATOM 1156 O HIS A 77 -4.474 15.088 -0.268 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.319 15.664 -2.440 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.468 14.652 -3.143 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.606 14.976 -4.170 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.347 13.316 -2.961 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.006 13.883 -4.590 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.426 12.862 -3.872 1.00 0.00 N ATOM 0 H HIS A 77 -0.678 14.174 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.355 16.595 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.359 15.519 -2.734 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.030 16.662 -2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.877 12.718 -2.234 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.735 13.833 -5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.124 11.893 -3.977 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.938 13.467 0.000 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.888 12.505 0.545 1.00 0.00 C ATOM 1173 C ALA A 78 -3.961 12.606 2.064 1.00 0.00 C ATOM 1174 O ALA A 78 -4.872 12.061 2.689 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.508 11.093 0.125 1.00 0.00 C ATOM 0 H ALA A 78 -1.982 13.120 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.874 12.738 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.226 10.385 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.515 11.023 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.511 10.859 0.498 1.00 0.00 H new ATOM 1181 N ASP A 79 -2.998 13.306 2.653 1.00 0.00 N ATOM 1182 CA ASP A 79 -2.953 13.478 4.101 1.00 0.00 C ATOM 1183 C ASP A 79 -3.408 12.208 4.814 1.00 0.00 C ATOM 1184 O ASP A 79 -4.264 12.254 5.698 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.832 14.657 4.522 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.320 15.343 5.773 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.320 16.085 5.676 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -3.919 15.139 6.849 1.00 0.00 O ATOM 0 H ASP A 79 -2.238 13.764 2.150 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.921 13.683 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.879 15.380 3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.849 14.305 4.695 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.831 11.078 4.422 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.177 9.795 5.023 1.00 0.00 C ATOM 1195 C CYS A 80 -2.548 9.653 6.405 1.00 0.00 C ATOM 1196 O CYS A 80 -1.389 10.006 6.625 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.722 8.646 4.121 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.903 7.008 4.864 1.00 0.00 S ATOM 0 H CYS A 80 -2.122 11.024 3.691 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.261 9.754 5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.294 8.678 3.194 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.676 8.799 3.855 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.833 6.306 4.633 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.328 9.125 7.359 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.868 8.925 8.737 1.00 0.00 C ATOM 1206 C PRO A 81 -1.822 7.822 8.845 1.00 0.00 C ATOM 1207 O PRO A 81 -2.151 6.637 8.809 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.144 8.527 9.483 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.025 7.936 8.437 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.719 8.681 7.167 1.00 0.00 C ATOM 0 HA PRO A 81 -2.384 9.815 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.932 7.808 10.275 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.613 9.391 9.954 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.831 6.870 8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.076 8.041 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.819 8.040 6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.394 9.525 7.023 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.560 8.219 8.977 1.00 0.00 N ATOM 1219 CA GLN A 82 0.534 7.263 9.089 1.00 0.00 C ATOM 1220 C GLN A 82 0.255 6.243 10.189 1.00 0.00 C ATOM 1221 O GLN A 82 0.283 6.571 11.376 1.00 0.00 O ATOM 1222 CB GLN A 82 1.849 7.991 9.375 1.00 0.00 C ATOM 1223 CG GLN A 82 2.141 9.122 8.403 1.00 0.00 C ATOM 1224 CD GLN A 82 2.086 8.676 6.955 1.00 0.00 C ATOM 1225 OE1 GLN A 82 2.105 7.480 6.660 1.00 0.00 O ATOM 1226 NE2 GLN A 82 2.017 9.637 6.041 1.00 0.00 N ATOM 0 H GLN A 82 -0.271 9.197 9.009 1.00 0.00 H new ATOM 0 HA GLN A 82 0.619 6.734 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.820 8.392 10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.668 7.272 9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.421 9.925 8.559 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.128 9.533 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.004 10.615 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.977 9.397 5.050 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.015 5.006 9.786 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.300 3.937 10.738 1.00 0.00 C ATOM 1237 C LEU A 83 0.959 3.136 11.051 1.00 0.00 C ATOM 1238 O LEU A 83 1.290 2.909 12.215 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.383 3.010 10.183 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.645 3.692 9.655 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.621 2.661 9.109 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.301 4.523 10.749 1.00 0.00 C ATOM 0 H LEU A 83 -0.043 4.718 8.808 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.657 4.392 11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.949 2.419 9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.673 2.312 10.968 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.360 4.359 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.513 3.165 8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.150 2.110 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.900 1.968 9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.198 5.001 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.572 3.877 11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.604 5.287 11.093 1.00 0.00 H new ATOM 1254 N LEU A 84 1.660 2.713 10.005 1.00 0.00 N ATOM 1255 CA LEU A 84 2.886 1.940 10.168 1.00 0.00 C ATOM 1256 C LEU A 84 4.027 2.824 10.661 1.00 0.00 C ATOM 1257 O LEU A 84 4.240 3.923 10.149 1.00 0.00 O ATOM 1258 CB LEU A 84 3.275 1.278 8.844 1.00 0.00 C ATOM 1259 CG LEU A 84 2.208 0.394 8.197 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.356 0.399 6.684 1.00 0.00 C ATOM 1261 CD2 LEU A 84 2.292 -1.026 8.739 1.00 0.00 C ATOM 0 H LEU A 84 1.400 2.892 9.035 1.00 0.00 H new ATOM 0 HA LEU A 84 2.701 1.167 10.914 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.548 2.060 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.167 0.674 9.011 1.00 0.00 H new ATOM 0 HG LEU A 84 1.227 0.799 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.588 -0.235 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.245 1.417 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.341 0.019 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.526 -1.641 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.276 -1.441 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.135 -1.014 9.818 1.00 0.00 H new ATOM 1273 N ASP A 85 4.759 2.336 11.657 1.00 0.00 N ATOM 1274 CA ASP A 85 5.880 3.081 12.217 1.00 0.00 C ATOM 1275 C ASP A 85 7.193 2.659 11.564 1.00 0.00 C ATOM 1276 O ASP A 85 7.849 1.719 12.013 1.00 0.00 O ATOM 1277 CB ASP A 85 5.957 2.866 13.730 1.00 0.00 C ATOM 1278 CG ASP A 85 6.544 4.061 14.455 1.00 0.00 C ATOM 1279 OD1 ASP A 85 7.317 4.816 13.827 1.00 0.00 O ATOM 1280 OD2 ASP A 85 6.230 4.243 15.650 1.00 0.00 O ATOM 0 H ASP A 85 4.596 1.428 12.093 1.00 0.00 H new ATOM 0 HA ASP A 85 5.718 4.140 12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.958 2.665 14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.563 1.984 13.938 1.00 0.00 H new ATOM 1285 N THR A 86 7.570 3.361 10.500 1.00 0.00 N ATOM 1286 CA THR A 86 8.802 3.059 9.783 1.00 0.00 C ATOM 1287 C THR A 86 9.907 2.634 10.743 1.00 0.00 C ATOM 1288 O THR A 86 10.530 1.588 10.563 1.00 0.00 O ATOM 1289 CB THR A 86 9.288 4.271 8.964 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.212 4.792 8.176 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.446 3.882 8.057 1.00 0.00 C ATOM 0 H THR A 86 7.039 4.143 10.116 1.00 0.00 H new ATOM 0 HA THR A 86 8.578 2.237 9.104 1.00 0.00 H new ATOM 0 HB THR A 86 9.633 5.037 9.659 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.528 5.563 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.772 4.753 7.489 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.274 3.513 8.662 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.123 3.101 7.369 1.00 0.00 H new ATOM 1299 N GLU A 87 10.145 3.452 11.764 1.00 0.00 N ATOM 1300 CA GLU A 87 11.175 3.159 12.753 1.00 0.00 C ATOM 1301 C GLU A 87 11.111 1.698 13.189 1.00 0.00 C ATOM 1302 O GLU A 87 12.128 1.005 13.227 1.00 0.00 O ATOM 1303 CB GLU A 87 11.021 4.073 13.970 1.00 0.00 C ATOM 1304 CG GLU A 87 11.422 5.514 13.704 1.00 0.00 C ATOM 1305 CD GLU A 87 12.817 5.632 13.120 1.00 0.00 C ATOM 1306 OE1 GLU A 87 12.951 5.551 11.882 1.00 0.00 O ATOM 1307 OE2 GLU A 87 13.774 5.807 13.903 1.00 0.00 O ATOM 0 H GLU A 87 9.639 4.322 11.927 1.00 0.00 H new ATOM 0 HA GLU A 87 12.146 3.341 12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.983 4.049 14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.627 3.681 14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.705 5.966 13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.373 6.079 14.635 1.00 0.00 H new ATOM 1314 N ASP A 88 9.910 1.237 13.518 1.00 0.00 N ATOM 1315 CA ASP A 88 9.711 -0.141 13.952 1.00 0.00 C ATOM 1316 C ASP A 88 9.690 -1.089 12.756 1.00 0.00 C ATOM 1317 O ASP A 88 10.067 -2.255 12.870 1.00 0.00 O ATOM 1318 CB ASP A 88 8.408 -0.267 14.742 1.00 0.00 C ATOM 1319 CG ASP A 88 8.373 0.645 15.951 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.323 0.595 16.761 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.397 1.412 16.088 1.00 0.00 O ATOM 0 H ASP A 88 9.058 1.798 13.493 1.00 0.00 H new ATOM 0 HA ASP A 88 10.545 -0.417 14.597 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.567 -0.033 14.089 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.282 -1.300 15.066 1.00 0.00 H new ATOM 1326 N MET A 89 9.245 -0.580 11.612 1.00 0.00 N ATOM 1327 CA MET A 89 9.175 -1.381 10.396 1.00 0.00 C ATOM 1328 C MET A 89 10.565 -1.835 9.962 1.00 0.00 C ATOM 1329 O MET A 89 10.761 -2.987 9.574 1.00 0.00 O ATOM 1330 CB MET A 89 8.512 -0.583 9.271 1.00 0.00 C ATOM 1331 CG MET A 89 7.102 -0.123 9.602 1.00 0.00 C ATOM 1332 SD MET A 89 5.867 -1.403 9.307 1.00 0.00 S ATOM 1333 CE MET A 89 5.609 -1.226 7.544 1.00 0.00 C ATOM 0 H MET A 89 8.928 0.383 11.502 1.00 0.00 H new ATOM 0 HA MET A 89 8.574 -2.265 10.608 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.126 0.289 9.044 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.483 -1.196 8.370 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.060 0.183 10.647 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.860 0.755 9.003 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.616 -1.593 7.283 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.691 -0.175 7.268 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.362 -1.802 7.006 1.00 0.00 H new ATOM 1343 N VAL A 90 11.529 -0.922 10.031 1.00 0.00 N ATOM 1344 CA VAL A 90 12.902 -1.228 9.646 1.00 0.00 C ATOM 1345 C VAL A 90 13.439 -2.421 10.430 1.00 0.00 C ATOM 1346 O VAL A 90 13.728 -3.472 9.859 1.00 0.00 O ATOM 1347 CB VAL A 90 13.831 -0.020 9.871 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.286 -0.462 9.889 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.598 1.036 8.801 1.00 0.00 C ATOM 0 H VAL A 90 11.384 0.036 10.350 1.00 0.00 H new ATOM 0 HA VAL A 90 12.886 -1.472 8.584 1.00 0.00 H new ATOM 0 HB VAL A 90 13.599 0.421 10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.928 0.405 10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.438 -1.180 10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.537 -0.928 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.262 1.883 8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.802 0.610 7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.562 1.373 8.842 1.00 0.00 H new ATOM 1359 N ARG A 91 13.568 -2.250 11.741 1.00 0.00 N ATOM 1360 CA ARG A 91 14.071 -3.312 12.604 1.00 0.00 C ATOM 1361 C ARG A 91 13.193 -4.555 12.505 1.00 0.00 C ATOM 1362 O ARG A 91 13.693 -5.678 12.422 1.00 0.00 O ATOM 1363 CB ARG A 91 14.133 -2.833 14.056 1.00 0.00 C ATOM 1364 CG ARG A 91 12.834 -2.219 14.550 1.00 0.00 C ATOM 1365 CD ARG A 91 12.946 -1.768 15.998 1.00 0.00 C ATOM 1366 NE ARG A 91 13.406 -0.387 16.107 1.00 0.00 N ATOM 1367 CZ ARG A 91 13.793 0.171 17.249 1.00 0.00 C ATOM 1368 NH1 ARG A 91 13.777 -0.531 18.373 1.00 0.00 N ATOM 1369 NH2 ARG A 91 14.199 1.435 17.267 1.00 0.00 N ATOM 0 H ARG A 91 13.331 -1.386 12.229 1.00 0.00 H new ATOM 0 HA ARG A 91 15.076 -3.570 12.271 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.394 -3.675 14.697 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.933 -2.099 14.154 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.571 -1.368 13.922 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.028 -2.946 14.456 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.975 -1.866 16.484 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.636 -2.423 16.529 1.00 0.00 H new ATOM 0 HE ARG A 91 13.432 0.181 15.260 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.467 -1.503 18.363 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.075 -0.100 19.248 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.214 1.978 16.404 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.496 1.863 18.144 1.00 0.00 H new ATOM 1383 N LEU A 92 11.880 -4.348 12.513 1.00 0.00 N ATOM 1384 CA LEU A 92 10.931 -5.452 12.425 1.00 0.00 C ATOM 1385 C LEU A 92 11.249 -6.350 11.233 1.00 0.00 C ATOM 1386 O LEU A 92 11.141 -5.930 10.081 1.00 0.00 O ATOM 1387 CB LEU A 92 9.504 -4.915 12.306 1.00 0.00 C ATOM 1388 CG LEU A 92 8.821 -4.526 13.618 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.566 -3.712 13.346 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.488 -5.766 14.434 1.00 0.00 C ATOM 0 H LEU A 92 11.449 -3.426 12.580 1.00 0.00 H new ATOM 0 HA LEU A 92 11.015 -6.045 13.336 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.519 -4.041 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.893 -5.670 11.812 1.00 0.00 H new ATOM 0 HG LEU A 92 9.511 -3.910 14.195 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.094 -3.445 14.291 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.831 -2.805 12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.872 -4.302 12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.003 -5.470 15.364 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.817 -6.408 13.863 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.405 -6.310 14.660 1.00 0.00 H new ATOM 1402 N ARG A 93 11.641 -7.587 11.519 1.00 0.00 N ATOM 1403 CA ARG A 93 11.974 -8.544 10.471 1.00 0.00 C ATOM 1404 C ARG A 93 11.003 -8.427 9.300 1.00 0.00 C ATOM 1405 O ARG A 93 11.380 -8.637 8.147 1.00 0.00 O ATOM 1406 CB ARG A 93 11.950 -9.970 11.027 1.00 0.00 C ATOM 1407 CG ARG A 93 13.153 -10.307 11.892 1.00 0.00 C ATOM 1408 CD ARG A 93 13.012 -11.679 12.532 1.00 0.00 C ATOM 1409 NE ARG A 93 12.035 -11.679 13.617 1.00 0.00 N ATOM 1410 CZ ARG A 93 12.241 -11.096 14.792 1.00 0.00 C ATOM 1411 NH1 ARG A 93 13.384 -10.467 15.033 1.00 0.00 N ATOM 1412 NH2 ARG A 93 11.303 -11.139 15.730 1.00 0.00 N ATOM 0 H ARG A 93 11.736 -7.950 12.468 1.00 0.00 H new ATOM 0 HA ARG A 93 12.978 -8.318 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.042 -10.107 11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.902 -10.674 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 93 14.058 -10.279 11.285 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.267 -9.552 12.669 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.712 -12.403 11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.980 -12.001 12.916 1.00 0.00 H new ATOM 0 HE ARG A 93 11.145 -12.153 13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.107 -10.430 14.315 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.539 -10.020 15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.422 -11.620 15.549 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.463 -10.691 16.632 1.00 0.00 H new ATOM 1426 N GLU A 94 9.754 -8.091 9.604 1.00 0.00 N ATOM 1427 CA GLU A 94 8.730 -7.948 8.576 1.00 0.00 C ATOM 1428 C GLU A 94 7.502 -7.229 9.127 1.00 0.00 C ATOM 1429 O GLU A 94 7.156 -7.351 10.302 1.00 0.00 O ATOM 1430 CB GLU A 94 8.329 -9.320 8.029 1.00 0.00 C ATOM 1431 CG GLU A 94 7.590 -10.184 9.037 1.00 0.00 C ATOM 1432 CD GLU A 94 7.731 -11.666 8.749 1.00 0.00 C ATOM 1433 OE1 GLU A 94 8.839 -12.094 8.366 1.00 0.00 O ATOM 1434 OE2 GLU A 94 6.731 -12.398 8.907 1.00 0.00 O ATOM 0 H GLU A 94 9.427 -7.913 10.553 1.00 0.00 H new ATOM 0 HA GLU A 94 9.147 -7.350 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.699 -9.182 7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.225 -9.846 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.969 -9.974 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.533 -9.916 9.034 1.00 0.00 H new ATOM 1441 N PRO A 95 6.828 -6.460 8.258 1.00 0.00 N ATOM 1442 CA PRO A 95 5.628 -5.706 8.635 1.00 0.00 C ATOM 1443 C PRO A 95 4.435 -6.615 8.909 1.00 0.00 C ATOM 1444 O PRO A 95 3.960 -7.319 8.017 1.00 0.00 O ATOM 1445 CB PRO A 95 5.362 -4.829 7.409 1.00 0.00 C ATOM 1446 CG PRO A 95 5.982 -5.566 6.273 1.00 0.00 C ATOM 1447 CD PRO A 95 7.184 -6.269 6.842 1.00 0.00 C ATOM 0 HA PRO A 95 5.773 -5.142 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.293 -4.684 7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.804 -3.840 7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.280 -6.280 5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.271 -4.882 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.368 -7.220 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.089 -5.671 6.732 1.00 0.00 H new ATOM 1455 N ASP A 96 3.953 -6.594 10.147 1.00 0.00 N ATOM 1456 CA ASP A 96 2.813 -7.415 10.538 1.00 0.00 C ATOM 1457 C ASP A 96 1.636 -7.195 9.593 1.00 0.00 C ATOM 1458 O ASP A 96 1.185 -6.066 9.399 1.00 0.00 O ATOM 1459 CB ASP A 96 2.397 -7.096 11.975 1.00 0.00 C ATOM 1460 CG ASP A 96 3.586 -6.951 12.903 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.640 -7.557 12.618 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.463 -6.230 13.916 1.00 0.00 O ATOM 0 H ASP A 96 4.334 -6.017 10.897 1.00 0.00 H new ATOM 0 HA ASP A 96 3.112 -8.461 10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.817 -6.173 11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.745 -7.887 12.346 1.00 0.00 H new ATOM 1467 N TRP A 97 1.143 -8.281 9.008 1.00 0.00 N ATOM 1468 CA TRP A 97 0.019 -8.206 8.082 1.00 0.00 C ATOM 1469 C TRP A 97 -1.154 -7.460 8.709 1.00 0.00 C ATOM 1470 O TRP A 97 -1.674 -6.504 8.133 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.419 -9.611 7.665 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.635 -10.535 8.825 1.00 0.00 C ATOM 1473 CD1 TRP A 97 0.313 -11.283 9.464 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -1.876 -10.810 9.483 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.265 -12.006 10.480 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.607 -11.733 10.513 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.189 -10.364 9.304 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -2.603 -12.218 11.356 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.176 -10.847 10.143 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -3.879 -11.765 11.158 1.00 0.00 C ATOM 0 H TRP A 97 1.504 -9.223 9.158 1.00 0.00 H new ATOM 0 HA TRP A 97 0.344 -7.657 7.198 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.342 -9.540 7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.336 -10.038 7.005 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.362 -11.303 9.208 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.226 -12.643 11.108 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.428 -9.655 8.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.377 -12.927 12.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.194 -10.510 10.013 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -4.673 -12.123 11.797 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.566 -7.901 9.892 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.677 -7.274 10.599 1.00 0.00 C ATOM 1493 C LYS A 98 -2.639 -5.758 10.435 1.00 0.00 C ATOM 1494 O LYS A 98 -3.676 -5.118 10.254 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.634 -7.639 12.085 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.323 -9.103 12.343 1.00 0.00 C ATOM 1497 CD LYS A 98 -0.834 -9.328 12.551 1.00 0.00 C ATOM 1498 CE LYS A 98 -0.456 -9.227 14.021 1.00 0.00 C ATOM 1499 NZ LYS A 98 0.908 -9.765 14.281 1.00 0.00 N ATOM 0 H LYS A 98 -1.147 -8.691 10.382 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.606 -7.645 10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.882 -7.024 12.580 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.595 -7.395 12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.870 -9.443 13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.669 -9.703 11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.556 -10.311 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.270 -8.592 11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.502 -8.185 14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.183 -9.774 14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.946 -10.167 15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.127 -10.507 13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.605 -8.998 14.199 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.440 -5.190 10.498 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.268 -3.749 10.356 1.00 0.00 C ATOM 1515 C CYS A 99 -1.331 -3.336 8.889 1.00 0.00 C ATOM 1516 O CYS A 99 -2.204 -2.567 8.487 1.00 0.00 O ATOM 1517 CB CYS A 99 0.065 -3.311 10.965 1.00 0.00 C ATOM 1518 SG CYS A 99 0.135 -3.453 12.766 1.00 0.00 S ATOM 0 H CYS A 99 -0.572 -5.706 10.647 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.082 -3.257 10.889 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.865 -3.912 10.532 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.257 -2.275 10.685 1.00 0.00 H new ATOM 0 HG CYS A 99 1.301 -3.062 13.187 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.398 -3.851 8.094 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.347 -3.536 6.672 1.00 0.00 C ATOM 1526 C VAL A 100 -1.745 -3.510 6.064 1.00 0.00 C ATOM 1527 O VAL A 100 -2.176 -2.495 5.517 1.00 0.00 O ATOM 1528 CB VAL A 100 0.517 -4.552 5.902 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.642 -4.149 4.441 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.889 -4.681 6.547 1.00 0.00 C ATOM 0 H VAL A 100 0.333 -4.488 8.411 1.00 0.00 H new ATOM 0 HA VAL A 100 0.103 -2.547 6.583 1.00 0.00 H new ATOM 0 HB VAL A 100 0.027 -5.525 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.256 -4.879 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.349 -4.113 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.108 -3.166 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.486 -5.403 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.388 -3.712 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.777 -5.020 7.577 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.448 -4.632 6.164 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.797 -4.740 5.622 1.00 0.00 C ATOM 1542 C TYR A 101 -4.607 -3.481 5.922 1.00 0.00 C ATOM 1543 O TYR A 101 -5.353 -2.991 5.074 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.506 -5.965 6.201 1.00 0.00 C ATOM 1545 CG TYR A 101 -6.012 -5.912 6.071 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.644 -6.336 4.909 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.802 -5.436 7.110 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.019 -6.288 4.785 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -8.178 -5.386 6.996 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.781 -5.813 5.832 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.151 -5.764 5.714 1.00 0.00 O ATOM 0 H TYR A 101 -2.106 -5.480 6.616 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.718 -4.851 4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.138 -6.859 5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.244 -6.062 7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.050 -6.710 4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.332 -5.099 8.022 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.494 -6.620 3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.778 -5.015 7.814 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.538 -5.406 6.540 1.00 0.00 H new ATOM 1561 N THR A 102 -4.453 -2.962 7.136 1.00 0.00 N ATOM 1562 CA THR A 102 -5.168 -1.762 7.550 1.00 0.00 C ATOM 1563 C THR A 102 -4.823 -0.579 6.653 1.00 0.00 C ATOM 1564 O THR A 102 -5.702 0.021 6.034 1.00 0.00 O ATOM 1565 CB THR A 102 -4.849 -1.393 9.011 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.921 -2.561 9.838 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.817 -0.339 9.528 1.00 0.00 C ATOM 0 H THR A 102 -3.839 -3.354 7.850 1.00 0.00 H new ATOM 0 HA THR A 102 -6.232 -1.983 7.463 1.00 0.00 H new ATOM 0 HB THR A 102 -3.839 -0.984 9.047 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.086 -3.068 9.762 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.571 -0.095 10.562 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.739 0.559 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.835 -0.725 9.478 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.538 -0.249 6.585 1.00 0.00 N ATOM 1576 CA TYR A 103 -3.077 0.864 5.764 1.00 0.00 C ATOM 1577 C TYR A 103 -3.712 0.819 4.378 1.00 0.00 C ATOM 1578 O TYR A 103 -4.391 1.758 3.963 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.553 0.836 5.640 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.957 2.154 5.199 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.723 3.174 6.113 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.626 2.379 3.868 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.180 4.380 5.714 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.081 3.581 3.461 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.140 4.579 4.387 1.00 0.00 C ATOM 1586 OH TYR A 103 0.683 5.778 3.987 1.00 0.00 O ATOM 0 H TYR A 103 -2.797 -0.737 7.089 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.379 1.791 6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.124 0.557 6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.269 0.062 4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.970 3.021 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.798 1.600 3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.007 5.163 6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.171 3.739 2.423 1.00 0.00 H new ATOM 0 HH TYR A 103 0.851 5.755 3.022 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.487 -0.281 3.667 1.00 0.00 N ATOM 1597 CA ILE A 104 -4.039 -0.451 2.329 1.00 0.00 C ATOM 1598 C ILE A 104 -5.506 -0.040 2.282 1.00 0.00 C ATOM 1599 O ILE A 104 -5.959 0.572 1.315 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.911 -1.909 1.848 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.441 -2.336 1.831 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.530 -2.068 0.468 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.625 -1.649 0.759 1.00 0.00 C ATOM 0 H ILE A 104 -2.926 -1.067 3.995 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.462 0.194 1.666 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.450 -2.554 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.998 -2.125 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.386 -3.415 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.432 -3.103 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.586 -1.799 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.017 -1.415 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.594 -2.000 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.043 -1.881 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.649 -0.571 0.918 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.244 -0.378 3.335 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.660 -0.042 3.415 1.00 0.00 C ATOM 1617 C GLN A 105 -7.852 1.440 3.716 1.00 0.00 C ATOM 1618 O GLN A 105 -8.708 2.097 3.124 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.347 -0.887 4.490 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.831 -0.594 4.638 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.565 -0.612 3.312 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.772 0.430 2.689 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -10.963 -1.800 2.872 1.00 0.00 N ATOM 0 H GLN A 105 -5.884 -0.884 4.144 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.114 -0.259 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.216 -1.942 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.854 -0.714 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.278 -1.330 5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.960 0.382 5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.770 -2.638 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.461 -1.875 1.985 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.051 1.960 4.641 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.135 3.365 5.022 1.00 0.00 C ATOM 1634 C GLU A 106 -6.922 4.270 3.811 1.00 0.00 C ATOM 1635 O GLU A 106 -7.682 5.211 3.585 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.099 3.686 6.101 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.438 4.920 6.921 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.512 4.653 7.958 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.473 3.921 7.643 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.391 5.178 9.085 1.00 0.00 O ATOM 0 H GLU A 106 -6.337 1.430 5.140 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.133 3.549 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.006 2.830 6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.127 3.829 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.538 5.279 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.772 5.715 6.254 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.883 3.977 3.037 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.568 4.764 1.850 1.00 0.00 C ATOM 1649 C PHE A 107 -6.617 4.552 0.763 1.00 0.00 C ATOM 1650 O PHE A 107 -7.149 5.510 0.203 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.182 4.393 1.318 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.520 5.498 0.546 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.490 6.789 1.047 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.929 5.245 -0.681 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.881 7.808 0.339 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.318 6.260 -1.393 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.295 7.544 -0.883 1.00 0.00 C ATOM 0 H PHE A 107 -5.245 3.201 3.210 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.570 5.817 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.543 4.113 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.271 3.516 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.948 7.002 2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.946 4.244 -1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.864 8.810 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.859 6.050 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.820 8.339 -1.439 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.907 3.289 0.468 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.890 2.950 -0.554 1.00 0.00 C ATOM 1669 C TYR A 108 -9.181 3.736 -0.352 1.00 0.00 C ATOM 1670 O TYR A 108 -9.986 3.877 -1.273 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.184 1.449 -0.529 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.199 1.014 -1.562 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.553 1.276 -1.388 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.805 0.342 -2.712 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.483 0.880 -2.329 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.728 -0.057 -3.659 1.00 0.00 C ATOM 1677 CZ TYR A 108 -11.066 0.214 -3.463 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.990 -0.181 -4.403 1.00 0.00 O ATOM 0 H TYR A 108 -6.475 2.484 0.922 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.473 3.217 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.255 0.902 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.546 1.174 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.883 1.798 -0.502 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.758 0.128 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.531 1.091 -2.178 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.404 -0.578 -4.548 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.532 -0.636 -5.141 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.371 4.248 0.860 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.564 5.021 1.185 1.00 0.00 C ATOM 1690 C ARG A 109 -10.384 6.486 0.801 1.00 0.00 C ATOM 1691 O ARG A 109 -11.348 7.171 0.455 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.879 4.909 2.678 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.091 5.719 3.107 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.409 5.509 4.579 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.645 6.180 4.973 1.00 0.00 N ATOM 1696 CZ ARG A 109 -14.853 5.777 4.595 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -14.986 4.711 3.818 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -15.930 6.440 4.995 1.00 0.00 N ATOM 0 H ARG A 109 -8.714 4.141 1.633 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.397 4.613 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.046 3.861 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.011 5.239 3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.907 6.777 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.953 5.434 2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.495 4.442 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.584 5.884 5.185 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.577 7.003 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.160 4.199 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.915 4.403 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.831 7.260 5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -16.857 6.130 4.704 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.145 6.961 0.864 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.838 8.346 0.524 1.00 0.00 C ATOM 1714 C CYS A 110 -8.763 8.531 -0.988 1.00 0.00 C ATOM 1715 O CYS A 110 -9.193 9.555 -1.521 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.518 8.771 1.168 1.00 0.00 C ATOM 1717 SG CYS A 110 -6.049 8.126 0.335 1.00 0.00 S ATOM 0 H CYS A 110 -8.337 6.407 1.147 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.641 8.975 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.466 9.860 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.509 8.439 2.206 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.203 7.692 1.221 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.214 7.535 -1.674 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.081 7.588 -3.126 1.00 0.00 C ATOM 1725 C LEU A 111 -9.440 7.779 -3.791 1.00 0.00 C ATOM 1726 O LEU A 111 -9.605 8.643 -4.652 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.423 6.308 -3.644 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.147 5.870 -2.924 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.789 4.439 -3.294 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -4.998 6.811 -3.256 1.00 0.00 C ATOM 0 H LEU A 111 -7.854 6.681 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.451 8.441 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.149 5.498 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.192 6.444 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.327 5.912 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.878 4.145 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.603 3.774 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.629 4.371 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.098 6.484 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.819 6.801 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.253 7.822 -2.940 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.412 6.969 -3.383 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.758 7.051 -3.937 1.00 0.00 C ATOM 1744 C VAL A 112 -12.274 8.486 -3.916 1.00 0.00 C ATOM 1745 O VAL A 112 -12.738 9.004 -4.932 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.740 6.153 -3.162 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.166 6.386 -3.636 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.353 4.689 -3.310 1.00 0.00 C ATOM 0 H VAL A 112 -10.292 6.249 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.697 6.704 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.687 6.415 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.845 5.742 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.438 7.429 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.239 6.154 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.058 4.069 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.376 4.411 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.348 4.537 -2.916 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.190 9.122 -2.752 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.649 10.498 -2.600 1.00 0.00 C ATOM 1760 C GLN A 113 -12.045 11.396 -3.675 1.00 0.00 C ATOM 1761 O GLN A 113 -12.762 12.107 -4.379 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.284 11.028 -1.212 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.267 10.619 -0.127 1.00 0.00 C ATOM 1764 CD GLN A 113 -13.057 11.380 1.168 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -12.301 10.950 2.039 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -13.728 12.518 1.301 1.00 0.00 N ATOM 0 H GLN A 113 -11.809 8.707 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.733 10.508 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.290 10.669 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.230 12.116 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.284 10.786 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.168 9.550 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.344 12.837 0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.627 13.073 2.151 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.723 11.359 -3.796 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.021 12.168 -4.785 1.00 0.00 C ATOM 1777 C LYS A 114 -10.496 11.834 -6.196 1.00 0.00 C ATOM 1778 O LYS A 114 -10.432 12.670 -7.097 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.511 11.946 -4.678 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.835 12.844 -3.656 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.893 12.244 -2.261 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.685 12.648 -1.430 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.931 13.904 -0.668 1.00 0.00 N ATOM 0 H LYS A 114 -10.115 10.776 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.242 13.216 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.323 10.905 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.057 12.115 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.795 13.003 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.318 13.821 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.805 12.570 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.940 11.157 -2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.437 11.845 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.823 12.783 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.060 14.472 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.686 14.449 -1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.219 13.670 0.304 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.974 10.607 -6.380 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.453 10.186 -7.683 1.00 0.00 C ATOM 1799 C GLY A 115 -10.446 9.326 -8.422 1.00 0.00 C ATOM 1800 O GLY A 115 -10.498 9.210 -9.647 1.00 0.00 O ATOM 0 H GLY A 115 -11.038 9.898 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.382 9.629 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.684 11.066 -8.283 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.526 8.724 -7.677 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.501 7.871 -8.268 1.00 0.00 C ATOM 1806 C LEU A 116 -9.008 6.442 -8.429 1.00 0.00 C ATOM 1807 O LEU A 116 -8.649 5.748 -9.381 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.239 7.883 -7.404 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.414 9.170 -7.438 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.386 9.175 -6.317 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.732 9.330 -8.790 1.00 0.00 C ATOM 0 H LEU A 116 -9.469 8.811 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.261 8.265 -9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.528 7.688 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.600 7.057 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.087 10.015 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.808 10.098 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.895 9.107 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.716 8.323 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.149 10.251 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.071 8.481 -8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.487 9.372 -9.575 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.846 6.007 -7.493 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.405 4.661 -7.532 1.00 0.00 C ATOM 1825 C VAL A 117 -11.929 4.700 -7.551 1.00 0.00 C ATOM 1826 O VAL A 117 -12.554 5.380 -6.738 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.938 3.824 -6.326 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.672 2.492 -6.285 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.433 3.612 -6.376 1.00 0.00 C ATOM 0 H VAL A 117 -10.153 6.568 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.045 4.195 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.174 4.370 -5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.329 1.914 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.744 2.670 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.469 1.937 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.120 3.019 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.170 3.087 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.929 4.578 -6.353 1.00 0.00 H new