USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 901 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 41 GLN : amide:sc= -1.79 K(o=-0.68,f=-16!) USER MOD Set 1.2: A 42 THR OG1 : rot -21:sc= 1.11 USER MOD Single : A 8 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.4!) USER MOD Single : A 10 SER OG : rot -170:sc= -1.36 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.0524 (180deg=-0.554) USER MOD Single : A 22 SER OG : rot 120:sc= 1.37 USER MOD Single : A 25 CYS SG : rot 64:sc= -3.59! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -132:sc= -0.0575 USER MOD Single : A 30 THR OG1 : rot 180:sc= -3.94! USER MOD Single : A 37 HIS : no HE2:sc= -9.46! C(o=-9.5!,f=-13!) USER MOD Single : A 45 GLN : amide:sc= -0.596 K(o=-0.6,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.4!) USER MOD Single : A 48 CYS SG : rot 140:sc= 0 USER MOD Single : A 53 SER OG : rot 83:sc= 0.881! USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 65 SER OG : rot -137:sc= 1.15 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0114) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -138:sc= -0.354 (180deg=-4.66!) USER MOD Single : A 104 ASN : amide:sc= -0.0548 K(o=-0.055,f=-1.3!) USER MOD Single : A 107 CYS SG : rot 180:sc=-0.00327 USER MOD Single : A 111 LYS NZ :NH3+ -151:sc= -0.394 (180deg=-1.55!) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.076 F(o=-0.81,f=-0.076) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 180:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 0.987 3.169 -18.227 1.00 0.00 N ATOM 59 CA VAL A 4 1.771 4.317 -17.815 1.00 0.00 C ATOM 60 C VAL A 4 1.702 5.439 -18.847 1.00 0.00 C ATOM 61 O VAL A 4 1.962 5.227 -20.031 1.00 0.00 O ATOM 62 CB VAL A 4 3.239 3.923 -17.591 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.364 3.011 -16.379 1.00 0.00 C ATOM 64 CG2 VAL A 4 3.809 3.251 -18.834 1.00 0.00 C ATOM 0 HA VAL A 4 1.346 4.677 -16.878 1.00 0.00 H new ATOM 0 HB VAL A 4 3.816 4.828 -17.400 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.410 2.741 -16.233 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.997 3.530 -15.494 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.775 2.108 -16.541 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.849 2.979 -18.656 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.233 2.353 -19.059 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.753 3.939 -19.678 1.00 0.00 H new ATOM 74 N VAL A 5 1.355 6.632 -18.381 1.00 0.00 N ATOM 75 CA VAL A 5 1.253 7.801 -19.248 1.00 0.00 C ATOM 76 C VAL A 5 2.620 8.449 -19.450 1.00 0.00 C ATOM 77 O VAL A 5 3.484 8.363 -18.576 1.00 0.00 O ATOM 78 CB VAL A 5 0.282 8.847 -18.671 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.138 8.302 -18.645 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.722 9.274 -17.280 1.00 0.00 C ATOM 0 H VAL A 5 1.138 6.817 -17.402 1.00 0.00 H new ATOM 0 HA VAL A 5 0.869 7.454 -20.207 1.00 0.00 H new ATOM 0 HB VAL A 5 0.297 9.725 -19.317 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.810 9.056 -18.234 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.450 8.052 -19.659 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.173 7.407 -18.023 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.024 10.014 -16.888 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.738 8.406 -16.621 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.720 9.709 -17.332 1.00 0.00 H new ATOM 90 N PRO A 6 2.836 9.109 -20.608 1.00 0.00 N ATOM 91 CA PRO A 6 4.096 9.776 -20.933 1.00 0.00 C ATOM 92 C PRO A 6 4.835 10.281 -19.698 1.00 0.00 C ATOM 93 O PRO A 6 6.038 10.068 -19.551 1.00 0.00 O ATOM 94 CB PRO A 6 3.620 10.934 -21.804 1.00 0.00 C ATOM 95 CG PRO A 6 2.435 10.390 -22.541 1.00 0.00 C ATOM 96 CD PRO A 6 1.860 9.267 -21.700 1.00 0.00 C ATOM 0 HA PRO A 6 4.816 9.114 -21.414 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.348 11.799 -21.199 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.400 11.259 -22.492 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.691 11.170 -22.702 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.729 10.023 -23.524 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.871 9.519 -21.319 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.754 8.349 -22.278 1.00 0.00 H new ATOM 104 N ASP A 7 4.100 10.928 -18.799 1.00 0.00 N ATOM 105 CA ASP A 7 4.671 11.434 -17.569 1.00 0.00 C ATOM 106 C ASP A 7 3.795 11.007 -16.399 1.00 0.00 C ATOM 107 O ASP A 7 2.881 11.720 -15.992 1.00 0.00 O ATOM 108 CB ASP A 7 4.802 12.956 -17.621 1.00 0.00 C ATOM 109 CG ASP A 7 5.888 13.410 -18.576 1.00 0.00 C ATOM 110 OD1 ASP A 7 5.684 13.297 -19.804 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.943 13.878 -18.097 1.00 0.00 O ATOM 0 H ASP A 7 3.102 11.112 -18.906 1.00 0.00 H new ATOM 0 HA ASP A 7 5.671 11.020 -17.438 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.850 13.390 -17.926 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.019 13.334 -16.622 1.00 0.00 H new ATOM 116 N GLN A 8 4.077 9.828 -15.870 1.00 0.00 N ATOM 117 CA GLN A 8 3.320 9.290 -14.752 1.00 0.00 C ATOM 118 C GLN A 8 3.437 10.228 -13.569 1.00 0.00 C ATOM 119 O GLN A 8 2.448 10.557 -12.915 1.00 0.00 O ATOM 120 CB GLN A 8 3.825 7.898 -14.378 1.00 0.00 C ATOM 121 CG GLN A 8 3.905 6.942 -15.558 1.00 0.00 C ATOM 122 CD GLN A 8 5.313 6.809 -16.105 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.290 6.865 -15.359 1.00 0.00 O ATOM 124 NE2 GLN A 8 5.424 6.631 -17.417 1.00 0.00 N ATOM 0 H GLN A 8 4.829 9.222 -16.199 1.00 0.00 H new ATOM 0 HA GLN A 8 2.273 9.202 -15.042 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.813 7.988 -13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.166 7.473 -13.621 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.544 5.960 -15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.243 7.292 -16.350 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.587 6.591 -17.999 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.346 6.535 -17.842 1.00 0.00 H new ATOM 133 N ARG A 9 4.657 10.682 -13.323 1.00 0.00 N ATOM 134 CA ARG A 9 4.913 11.616 -12.245 1.00 0.00 C ATOM 135 C ARG A 9 4.170 12.913 -12.512 1.00 0.00 C ATOM 136 O ARG A 9 3.849 13.651 -11.588 1.00 0.00 O ATOM 137 CB ARG A 9 6.412 11.882 -12.103 1.00 0.00 C ATOM 138 CG ARG A 9 7.028 12.563 -13.314 1.00 0.00 C ATOM 139 CD ARG A 9 8.498 12.204 -13.468 1.00 0.00 C ATOM 140 NE ARG A 9 9.309 13.364 -13.834 1.00 0.00 N ATOM 141 CZ ARG A 9 9.722 14.283 -12.965 1.00 0.00 C ATOM 142 NH1 ARG A 9 9.406 14.185 -11.679 1.00 0.00 N ATOM 143 NH2 ARG A 9 10.456 15.306 -13.383 1.00 0.00 N ATOM 0 H ARG A 9 5.484 10.416 -13.858 1.00 0.00 H new ATOM 0 HA ARG A 9 4.558 11.182 -11.310 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.580 12.503 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.925 10.936 -11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.485 12.270 -14.213 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.925 13.644 -13.217 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.868 11.783 -12.533 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.605 11.432 -14.230 1.00 0.00 H new ATOM 0 HE ARG A 9 9.574 13.475 -14.813 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.843 13.401 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.727 14.894 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.703 15.387 -14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.773 16.011 -12.718 1.00 0.00 H new ATOM 157 N SER A 10 3.885 13.180 -13.786 1.00 0.00 N ATOM 158 CA SER A 10 3.161 14.393 -14.145 1.00 0.00 C ATOM 159 C SER A 10 1.752 14.348 -13.575 1.00 0.00 C ATOM 160 O SER A 10 1.230 15.356 -13.097 1.00 0.00 O ATOM 161 CB SER A 10 3.110 14.582 -15.666 1.00 0.00 C ATOM 162 OG SER A 10 4.241 15.300 -16.129 1.00 0.00 O ATOM 0 H SER A 10 4.140 12.583 -14.573 1.00 0.00 H new ATOM 0 HA SER A 10 3.694 15.243 -13.719 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.068 13.609 -16.155 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.200 15.116 -15.939 1.00 0.00 H new ATOM 0 HG SER A 10 4.111 15.545 -17.069 1.00 0.00 H new ATOM 168 N LYS A 11 1.144 13.168 -13.613 1.00 0.00 N ATOM 169 CA LYS A 11 -0.198 12.992 -13.085 1.00 0.00 C ATOM 170 C LYS A 11 -0.148 12.745 -11.591 1.00 0.00 C ATOM 171 O LYS A 11 -0.965 13.267 -10.841 1.00 0.00 O ATOM 172 CB LYS A 11 -0.914 11.839 -13.792 1.00 0.00 C ATOM 173 CG LYS A 11 -0.716 11.832 -15.299 1.00 0.00 C ATOM 174 CD LYS A 11 -1.179 13.136 -15.928 1.00 0.00 C ATOM 175 CE LYS A 11 -2.691 13.285 -15.847 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.214 14.223 -16.879 1.00 0.00 N ATOM 0 H LYS A 11 1.560 12.323 -14.003 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.761 13.907 -13.270 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.556 10.894 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.980 11.897 -13.574 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.337 11.670 -15.528 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.268 11.000 -15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.702 13.975 -15.422 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.864 13.171 -16.971 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.159 12.309 -15.974 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.968 13.645 -14.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.248 14.296 -16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.787 15.162 -16.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.973 13.867 -17.826 1.00 0.00 H new ATOM 190 N PHE A 12 0.830 11.975 -11.153 1.00 0.00 N ATOM 191 CA PHE A 12 0.983 11.703 -9.745 1.00 0.00 C ATOM 192 C PHE A 12 1.370 12.994 -9.022 1.00 0.00 C ATOM 193 O PHE A 12 1.181 13.122 -7.812 1.00 0.00 O ATOM 194 CB PHE A 12 2.022 10.585 -9.543 1.00 0.00 C ATOM 195 CG PHE A 12 2.847 10.707 -8.294 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.915 11.580 -8.251 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.556 9.945 -7.172 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.683 11.700 -7.107 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.318 10.056 -6.022 1.00 0.00 C ATOM 200 CZ PHE A 12 4.383 10.940 -5.991 1.00 0.00 C ATOM 0 H PHE A 12 1.525 11.531 -11.752 1.00 0.00 H new ATOM 0 HA PHE A 12 0.043 11.352 -9.319 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.504 9.626 -9.527 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.691 10.571 -10.403 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.154 12.176 -9.120 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.724 9.256 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.516 12.387 -7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.083 9.457 -5.155 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.979 11.036 -5.096 1.00 0.00 H new ATOM 210 N GLU A 13 1.913 13.954 -9.780 1.00 0.00 N ATOM 211 CA GLU A 13 2.323 15.239 -9.211 1.00 0.00 C ATOM 212 C GLU A 13 1.302 16.349 -9.475 1.00 0.00 C ATOM 213 O GLU A 13 1.215 17.310 -8.713 1.00 0.00 O ATOM 214 CB GLU A 13 3.697 15.655 -9.750 1.00 0.00 C ATOM 215 CG GLU A 13 3.658 16.279 -11.138 1.00 0.00 C ATOM 216 CD GLU A 13 5.018 16.301 -11.806 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.897 15.516 -11.389 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.207 17.102 -12.745 1.00 0.00 O ATOM 0 H GLU A 13 2.077 13.865 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 13 2.383 15.099 -8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.147 16.365 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.346 14.779 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.959 15.723 -11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.277 17.298 -11.064 1.00 0.00 H new ATOM 225 N ASN A 14 0.572 16.243 -10.583 1.00 0.00 N ATOM 226 CA ASN A 14 -0.392 17.278 -10.958 1.00 0.00 C ATOM 227 C ASN A 14 -1.831 16.919 -10.597 1.00 0.00 C ATOM 228 O ASN A 14 -2.636 17.804 -10.307 1.00 0.00 O ATOM 229 CB ASN A 14 -0.296 17.558 -12.459 1.00 0.00 C ATOM 230 CG ASN A 14 -0.845 18.922 -12.829 1.00 0.00 C ATOM 231 OD1 ASN A 14 -2.054 19.100 -12.973 1.00 0.00 O ATOM 232 ND2 ASN A 14 0.046 19.895 -12.984 1.00 0.00 N ATOM 0 H ASN A 14 0.627 15.459 -11.233 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.133 18.169 -10.385 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.746 17.492 -12.772 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.843 16.789 -13.005 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.263 20.835 -13.232 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.039 19.702 -12.855 1.00 0.00 H new ATOM 239 N GLU A 15 -2.167 15.635 -10.624 1.00 0.00 N ATOM 240 CA GLU A 15 -3.533 15.217 -10.306 1.00 0.00 C ATOM 241 C GLU A 15 -3.878 15.554 -8.855 1.00 0.00 C ATOM 242 O GLU A 15 -3.067 15.355 -7.956 1.00 0.00 O ATOM 243 CB GLU A 15 -3.719 13.725 -10.571 1.00 0.00 C ATOM 244 CG GLU A 15 -4.055 13.405 -12.017 1.00 0.00 C ATOM 245 CD GLU A 15 -5.396 13.969 -12.442 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.465 15.181 -12.737 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.379 13.198 -12.481 1.00 0.00 O ATOM 0 H GLU A 15 -1.528 14.875 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.215 15.766 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.806 13.198 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.514 13.346 -9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.275 13.805 -12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.060 12.324 -12.154 1.00 0.00 H new ATOM 254 N GLU A 16 -5.082 16.093 -8.645 1.00 0.00 N ATOM 255 CA GLU A 16 -5.534 16.493 -7.307 1.00 0.00 C ATOM 256 C GLU A 16 -5.563 15.321 -6.329 1.00 0.00 C ATOM 257 O GLU A 16 -4.620 15.135 -5.566 1.00 0.00 O ATOM 258 CB GLU A 16 -6.910 17.165 -7.375 1.00 0.00 C ATOM 259 CG GLU A 16 -7.882 16.492 -8.329 1.00 0.00 C ATOM 260 CD GLU A 16 -8.292 17.391 -9.480 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.508 18.296 -9.834 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.397 17.191 -10.025 1.00 0.00 O ATOM 0 H GLU A 16 -5.763 16.263 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.807 17.212 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.347 17.176 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.781 18.204 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.425 15.586 -8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.771 16.186 -7.778 1.00 0.00 H new ATOM 269 N PHE A 17 -6.640 14.535 -6.339 1.00 0.00 N ATOM 270 CA PHE A 17 -6.752 13.393 -5.432 1.00 0.00 C ATOM 271 C PHE A 17 -5.481 12.561 -5.483 1.00 0.00 C ATOM 272 O PHE A 17 -5.004 12.063 -4.465 1.00 0.00 O ATOM 273 CB PHE A 17 -7.982 12.540 -5.792 1.00 0.00 C ATOM 274 CG PHE A 17 -7.665 11.119 -6.184 1.00 0.00 C ATOM 275 CD1 PHE A 17 -7.494 10.139 -5.217 1.00 0.00 C ATOM 276 CD2 PHE A 17 -7.537 10.766 -7.518 1.00 0.00 C ATOM 277 CE1 PHE A 17 -7.200 8.834 -5.574 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.243 9.465 -7.881 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.075 8.499 -6.909 1.00 0.00 C ATOM 0 H PHE A 17 -7.440 14.666 -6.958 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.883 13.761 -4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.660 12.525 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.513 13.020 -6.614 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.591 10.397 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.669 11.517 -8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.069 8.080 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.145 9.204 -8.924 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.846 7.482 -7.192 1.00 0.00 H new ATOM 289 N PHE A 18 -4.941 12.419 -6.682 1.00 0.00 N ATOM 290 CA PHE A 18 -3.735 11.656 -6.894 1.00 0.00 C ATOM 291 C PHE A 18 -2.600 12.315 -6.122 1.00 0.00 C ATOM 292 O PHE A 18 -1.696 11.643 -5.633 1.00 0.00 O ATOM 293 CB PHE A 18 -3.450 11.646 -8.385 1.00 0.00 C ATOM 294 CG PHE A 18 -2.879 10.370 -8.894 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.636 9.905 -8.515 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.639 9.627 -9.768 1.00 0.00 C ATOM 297 CE1 PHE A 18 -1.159 8.703 -9.014 1.00 0.00 C ATOM 298 CE2 PHE A 18 -3.177 8.432 -10.270 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.936 7.966 -9.895 1.00 0.00 C ATOM 0 H PHE A 18 -5.330 12.831 -7.530 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.839 10.630 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.376 11.855 -8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.759 12.457 -8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.033 10.480 -7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.613 9.987 -10.064 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.185 8.342 -8.718 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.785 7.861 -10.956 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.569 7.029 -10.286 1.00 0.00 H new ATOM 309 N ARG A 19 -2.691 13.638 -5.980 1.00 0.00 N ATOM 310 CA ARG A 19 -1.715 14.404 -5.221 1.00 0.00 C ATOM 311 C ARG A 19 -2.071 14.310 -3.747 1.00 0.00 C ATOM 312 O ARG A 19 -1.287 13.819 -2.932 1.00 0.00 O ATOM 313 CB ARG A 19 -1.709 15.873 -5.651 1.00 0.00 C ATOM 314 CG ARG A 19 -0.629 16.208 -6.667 1.00 0.00 C ATOM 315 CD ARG A 19 0.272 17.336 -6.179 1.00 0.00 C ATOM 316 NE ARG A 19 1.659 16.904 -6.034 1.00 0.00 N ATOM 317 CZ ARG A 19 2.662 17.726 -5.733 1.00 0.00 C ATOM 318 NH1 ARG A 19 2.436 19.020 -5.546 1.00 0.00 N ATOM 319 NH2 ARG A 19 3.895 17.251 -5.617 1.00 0.00 N ATOM 0 H ARG A 19 -3.439 14.200 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.722 13.995 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.682 16.123 -6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.573 16.500 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.027 15.321 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.093 16.495 -7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.223 18.169 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.095 17.705 -5.221 1.00 0.00 H new ATOM 0 HE ARG A 19 1.872 15.916 -6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.489 19.390 -5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.209 19.645 -5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.074 16.257 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.664 17.880 -5.386 1.00 0.00 H new ATOM 333 N LYS A 20 -3.286 14.761 -3.419 1.00 0.00 N ATOM 334 CA LYS A 20 -3.786 14.708 -2.049 1.00 0.00 C ATOM 335 C LYS A 20 -3.462 13.350 -1.434 1.00 0.00 C ATOM 336 O LYS A 20 -3.182 13.242 -0.240 1.00 0.00 O ATOM 337 CB LYS A 20 -5.297 14.959 -2.024 1.00 0.00 C ATOM 338 CG LYS A 20 -5.682 16.399 -2.337 1.00 0.00 C ATOM 339 CD LYS A 20 -6.598 16.489 -3.551 1.00 0.00 C ATOM 340 CE LYS A 20 -7.705 17.509 -3.343 1.00 0.00 C ATOM 341 NZ LYS A 20 -7.183 18.795 -2.802 1.00 0.00 N ATOM 0 H LYS A 20 -3.940 15.167 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.299 15.487 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.778 14.298 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.685 14.694 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.180 16.838 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.781 16.985 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.013 16.761 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.036 15.511 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.211 17.693 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.449 17.102 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.801 19.575 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.162 18.752 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.221 18.957 -3.161 1.00 0.00 H new ATOM 355 N LEU A 21 -3.473 12.323 -2.279 1.00 0.00 N ATOM 356 CA LEU A 21 -3.150 10.972 -1.847 1.00 0.00 C ATOM 357 C LEU A 21 -1.652 10.737 -1.994 1.00 0.00 C ATOM 358 O LEU A 21 -1.025 10.118 -1.135 1.00 0.00 O ATOM 359 CB LEU A 21 -3.931 9.936 -2.662 1.00 0.00 C ATOM 360 CG LEU A 21 -5.447 9.908 -2.429 1.00 0.00 C ATOM 361 CD1 LEU A 21 -5.992 8.512 -2.678 1.00 0.00 C ATOM 362 CD2 LEU A 21 -5.797 10.366 -1.020 1.00 0.00 C ATOM 0 H LEU A 21 -3.703 12.404 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.434 10.861 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.749 10.122 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.530 8.948 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.908 10.601 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.069 8.506 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.785 8.219 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.514 7.808 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.878 10.335 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.322 9.706 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.442 11.385 -0.870 1.00 0.00 H new ATOM 374 N SER A 22 -1.076 11.267 -3.079 1.00 0.00 N ATOM 375 CA SER A 22 0.362 11.148 -3.332 1.00 0.00 C ATOM 376 C SER A 22 1.169 11.566 -2.104 1.00 0.00 C ATOM 377 O SER A 22 2.355 11.261 -1.996 1.00 0.00 O ATOM 378 CB SER A 22 0.775 12.012 -4.523 1.00 0.00 C ATOM 379 OG SER A 22 2.184 12.140 -4.594 1.00 0.00 O ATOM 0 H SER A 22 -1.586 11.783 -3.796 1.00 0.00 H new ATOM 0 HA SER A 22 0.570 10.102 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.400 11.569 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.321 12.999 -4.436 1.00 0.00 H new ATOM 0 HG SER A 22 2.503 11.780 -5.448 1.00 0.00 H new ATOM 385 N ARG A 23 0.520 12.277 -1.188 1.00 0.00 N ATOM 386 CA ARG A 23 1.169 12.746 0.023 1.00 0.00 C ATOM 387 C ARG A 23 0.837 11.824 1.190 1.00 0.00 C ATOM 388 O ARG A 23 0.323 10.722 0.995 1.00 0.00 O ATOM 389 CB ARG A 23 0.713 14.173 0.327 1.00 0.00 C ATOM 390 CG ARG A 23 0.497 15.026 -0.916 1.00 0.00 C ATOM 391 CD ARG A 23 1.686 15.935 -1.189 1.00 0.00 C ATOM 392 NE ARG A 23 2.394 15.557 -2.411 1.00 0.00 N ATOM 393 CZ ARG A 23 3.393 14.676 -2.452 1.00 0.00 C ATOM 394 NH1 ARG A 23 3.815 14.083 -1.342 1.00 0.00 N ATOM 395 NH2 ARG A 23 3.972 14.388 -3.609 1.00 0.00 N ATOM 0 H ARG A 23 -0.462 12.541 -1.266 1.00 0.00 H new ATOM 0 HA ARG A 23 2.249 12.740 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.216 14.134 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.456 14.655 0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.329 14.379 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.402 15.630 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.343 16.966 -1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.374 15.896 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 23 2.106 15.995 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.374 14.300 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.580 13.410 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.653 14.840 -4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.737 13.714 -3.643 1.00 0.00 H new ATOM 409 N GLU A 24 1.144 12.274 2.401 1.00 0.00 N ATOM 410 CA GLU A 24 0.884 11.480 3.599 1.00 0.00 C ATOM 411 C GLU A 24 -0.294 12.038 4.393 1.00 0.00 C ATOM 412 O GLU A 24 -0.292 13.202 4.792 1.00 0.00 O ATOM 413 CB GLU A 24 2.132 11.434 4.483 1.00 0.00 C ATOM 414 CG GLU A 24 2.710 12.804 4.793 1.00 0.00 C ATOM 415 CD GLU A 24 3.273 12.895 6.198 1.00 0.00 C ATOM 416 OE1 GLU A 24 2.566 12.494 7.147 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.419 13.367 6.350 1.00 0.00 O ATOM 0 H GLU A 24 1.572 13.182 2.581 1.00 0.00 H new ATOM 0 HA GLU A 24 0.629 10.469 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.885 10.933 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.894 10.831 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.497 13.033 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.934 13.559 4.667 1.00 0.00 H new ATOM 424 N CYS A 25 -1.295 11.192 4.622 1.00 0.00 N ATOM 425 CA CYS A 25 -2.480 11.592 5.374 1.00 0.00 C ATOM 426 C CYS A 25 -3.094 10.411 6.118 1.00 0.00 C ATOM 427 O CYS A 25 -2.871 9.252 5.770 1.00 0.00 O ATOM 428 CB CYS A 25 -3.515 12.257 4.457 1.00 0.00 C ATOM 429 SG CYS A 25 -3.483 11.685 2.741 1.00 0.00 S ATOM 0 H CYS A 25 -1.309 10.225 4.297 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.165 12.324 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.510 12.080 4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.352 13.335 4.470 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.791 10.423 2.699 1.00 0.00 H new ATOM 435 N GLU A 26 -3.846 10.729 7.166 1.00 0.00 N ATOM 436 CA GLU A 26 -4.483 9.725 8.009 1.00 0.00 C ATOM 437 C GLU A 26 -5.257 8.678 7.208 1.00 0.00 C ATOM 438 O GLU A 26 -5.925 8.985 6.219 1.00 0.00 O ATOM 439 CB GLU A 26 -5.422 10.402 9.010 1.00 0.00 C ATOM 440 CG GLU A 26 -6.498 11.254 8.354 1.00 0.00 C ATOM 441 CD GLU A 26 -6.585 12.645 8.950 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.132 12.782 10.065 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.106 13.599 8.302 1.00 0.00 O ATOM 0 H GLU A 26 -4.031 11.690 7.455 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.683 9.202 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.899 9.637 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.834 11.028 9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.293 11.333 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.463 10.757 8.458 1.00 0.00 H new ATOM 450 N ILE A 27 -5.168 7.438 7.674 1.00 0.00 N ATOM 451 CA ILE A 27 -5.861 6.315 7.052 1.00 0.00 C ATOM 452 C ILE A 27 -6.690 5.562 8.092 1.00 0.00 C ATOM 453 O ILE A 27 -6.517 5.765 9.294 1.00 0.00 O ATOM 454 CB ILE A 27 -4.878 5.333 6.378 1.00 0.00 C ATOM 455 CG1 ILE A 27 -3.960 4.689 7.422 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.061 6.049 5.314 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.084 3.588 6.859 1.00 0.00 C ATOM 0 H ILE A 27 -4.615 7.182 8.492 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.514 6.727 6.283 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.454 4.543 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.325 5.459 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.570 4.281 8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.373 5.344 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.729 6.458 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.494 6.859 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.461 3.177 7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.712 2.799 6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.448 3.995 6.073 1.00 0.00 H new ATOM 469 N LYS A 28 -7.588 4.696 7.632 1.00 0.00 N ATOM 470 CA LYS A 28 -8.435 3.925 8.541 1.00 0.00 C ATOM 471 C LYS A 28 -8.872 2.610 7.905 1.00 0.00 C ATOM 472 O LYS A 28 -8.932 2.493 6.681 1.00 0.00 O ATOM 473 CB LYS A 28 -9.666 4.742 8.938 1.00 0.00 C ATOM 474 CG LYS A 28 -10.536 5.143 7.758 1.00 0.00 C ATOM 475 CD LYS A 28 -11.981 5.368 8.179 1.00 0.00 C ATOM 476 CE LYS A 28 -12.395 6.820 8.008 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.521 7.188 8.910 1.00 0.00 N ATOM 0 H LYS A 28 -7.749 4.510 6.642 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.850 3.698 9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.265 4.163 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.342 5.641 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.142 6.054 7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.495 4.366 6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.637 4.730 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.107 5.074 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.541 7.467 8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.688 6.994 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.773 8.186 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.344 6.589 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.234 7.047 9.899 1.00 0.00 H new ATOM 491 N TYR A 29 -9.174 1.618 8.741 1.00 0.00 N ATOM 492 CA TYR A 29 -9.601 0.312 8.249 1.00 0.00 C ATOM 493 C TYR A 29 -11.085 0.305 7.892 1.00 0.00 C ATOM 494 O TYR A 29 -11.938 0.617 8.722 1.00 0.00 O ATOM 495 CB TYR A 29 -9.314 -0.772 9.288 1.00 0.00 C ATOM 496 CG TYR A 29 -8.765 -2.041 8.681 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.445 -2.115 8.259 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.570 -3.161 8.524 1.00 0.00 C ATOM 499 CE1 TYR A 29 -6.941 -3.271 7.697 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.073 -4.322 7.963 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.758 -4.370 7.550 1.00 0.00 C ATOM 502 OH TYR A 29 -7.258 -5.522 6.992 1.00 0.00 O ATOM 0 H TYR A 29 -9.131 1.694 9.757 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.032 0.102 7.343 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.602 -0.388 10.019 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.232 -1.002 9.828 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.802 -1.255 8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.600 -3.124 8.845 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.911 -3.313 7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.710 -5.186 7.849 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.880 -5.851 6.310 1.00 0.00 H new ATOM 512 N THR A 30 -11.380 -0.063 6.647 1.00 0.00 N ATOM 513 CA THR A 30 -12.758 -0.127 6.167 1.00 0.00 C ATOM 514 C THR A 30 -12.873 -1.087 4.982 1.00 0.00 C ATOM 515 O THR A 30 -13.759 -0.943 4.140 1.00 0.00 O ATOM 516 CB THR A 30 -13.258 1.264 5.755 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.850 1.584 4.434 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.777 2.377 6.664 1.00 0.00 C ATOM 0 H THR A 30 -10.681 -0.322 5.951 1.00 0.00 H new ATOM 0 HA THR A 30 -13.378 -0.496 6.984 1.00 0.00 H new ATOM 0 HB THR A 30 -14.344 1.202 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.183 2.474 4.195 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.170 3.330 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.127 2.194 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.687 2.408 6.656 1.00 0.00 H new ATOM 526 N GLY A 31 -11.970 -2.063 4.922 1.00 0.00 N ATOM 527 CA GLY A 31 -11.989 -3.026 3.835 1.00 0.00 C ATOM 528 C GLY A 31 -12.953 -4.168 4.086 1.00 0.00 C ATOM 529 O GLY A 31 -13.828 -4.443 3.265 1.00 0.00 O ATOM 0 H GLY A 31 -11.227 -2.204 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.265 -2.519 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.986 -3.427 3.692 1.00 0.00 H new ATOM 533 N PHE A 32 -12.798 -4.830 5.227 1.00 0.00 N ATOM 534 CA PHE A 32 -13.666 -5.944 5.590 1.00 0.00 C ATOM 535 C PHE A 32 -13.996 -5.898 7.074 1.00 0.00 C ATOM 536 O PHE A 32 -14.267 -6.924 7.693 1.00 0.00 O ATOM 537 CB PHE A 32 -13.011 -7.286 5.242 1.00 0.00 C ATOM 538 CG PHE A 32 -11.514 -7.307 5.412 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.689 -6.800 4.421 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.935 -7.840 6.554 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.314 -6.823 4.566 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.558 -7.866 6.705 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.749 -7.356 5.709 1.00 0.00 C ATOM 0 H PHE A 32 -12.079 -4.614 5.917 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.589 -5.851 5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.447 -8.064 5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.251 -7.537 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.125 -6.382 3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.565 -8.240 7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.682 -6.425 3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.119 -8.284 7.599 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.675 -7.374 5.823 1.00 0.00 H new ATOM 553 N ARG A 33 -13.953 -4.697 7.642 1.00 0.00 N ATOM 554 CA ARG A 33 -14.229 -4.501 9.059 1.00 0.00 C ATOM 555 C ARG A 33 -15.706 -4.264 9.333 1.00 0.00 C ATOM 556 O ARG A 33 -16.147 -4.314 10.481 1.00 0.00 O ATOM 557 CB ARG A 33 -13.420 -3.325 9.578 1.00 0.00 C ATOM 558 CG ARG A 33 -13.760 -2.004 8.910 1.00 0.00 C ATOM 559 CD ARG A 33 -14.856 -1.264 9.660 1.00 0.00 C ATOM 560 NE ARG A 33 -14.315 -0.249 10.559 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.029 0.761 11.054 1.00 0.00 C ATOM 562 NH1 ARG A 33 -16.310 0.895 10.736 1.00 0.00 N ATOM 563 NH2 ARG A 33 -14.459 1.638 11.868 1.00 0.00 N ATOM 0 H ARG A 33 -13.728 -3.840 7.137 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.942 -5.416 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.582 -3.231 10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.360 -3.533 9.432 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.867 -1.380 8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.079 -2.186 7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.530 -0.792 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.448 -1.977 10.233 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.332 -0.317 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.753 0.223 10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.852 1.670 11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.474 1.539 12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.005 2.412 12.247 1.00 0.00 H new ATOM 577 N ASP A 34 -16.467 -3.998 8.285 1.00 0.00 N ATOM 578 CA ASP A 34 -17.898 -3.744 8.429 1.00 0.00 C ATOM 579 C ASP A 34 -18.574 -4.850 9.241 1.00 0.00 C ATOM 580 O ASP A 34 -19.649 -4.650 9.806 1.00 0.00 O ATOM 581 CB ASP A 34 -18.560 -3.626 7.055 1.00 0.00 C ATOM 582 CG ASP A 34 -18.148 -4.742 6.116 1.00 0.00 C ATOM 583 OD1 ASP A 34 -17.060 -4.638 5.510 1.00 0.00 O ATOM 584 OD2 ASP A 34 -18.912 -5.721 5.985 1.00 0.00 O ATOM 0 H ASP A 34 -16.123 -3.951 7.326 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.019 -2.802 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.643 -3.637 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.299 -2.666 6.610 1.00 0.00 H new ATOM 589 N ARG A 35 -17.927 -6.012 9.308 1.00 0.00 N ATOM 590 CA ARG A 35 -18.447 -7.140 10.062 1.00 0.00 C ATOM 591 C ARG A 35 -17.774 -7.163 11.461 1.00 0.00 C ATOM 592 O ARG A 35 -17.811 -6.134 12.135 1.00 0.00 O ATOM 593 CB ARG A 35 -18.264 -8.420 9.232 1.00 0.00 C ATOM 594 CG ARG A 35 -16.910 -8.523 8.543 1.00 0.00 C ATOM 595 CD ARG A 35 -16.920 -7.858 7.175 1.00 0.00 C ATOM 596 NE ARG A 35 -16.312 -8.704 6.151 1.00 0.00 N ATOM 597 CZ ARG A 35 -16.513 -8.547 4.844 1.00 0.00 C ATOM 598 NH1 ARG A 35 -17.303 -7.578 4.398 1.00 0.00 N ATOM 599 NH2 ARG A 35 -15.921 -9.361 3.981 1.00 0.00 N ATOM 0 H ARG A 35 -17.037 -6.193 8.844 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.518 -7.056 10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.396 -9.285 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.049 -8.467 8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.148 -8.057 9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.636 -9.572 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.947 -7.627 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.383 -6.911 7.228 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.697 -9.459 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.760 -6.948 5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.453 -7.463 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.312 -10.107 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.074 -9.242 2.980 1.00 0.00 H new ATOM 613 N PRO A 36 -17.146 -8.266 11.959 1.00 0.00 N ATOM 614 CA PRO A 36 -16.519 -8.231 13.286 1.00 0.00 C ATOM 615 C PRO A 36 -15.177 -7.502 13.264 1.00 0.00 C ATOM 616 O PRO A 36 -14.118 -8.125 13.327 1.00 0.00 O ATOM 617 CB PRO A 36 -16.328 -9.704 13.627 1.00 0.00 C ATOM 618 CG PRO A 36 -16.136 -10.364 12.311 1.00 0.00 C ATOM 619 CD PRO A 36 -16.977 -9.594 11.327 1.00 0.00 C ATOM 0 HA PRO A 36 -17.124 -7.692 14.015 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.465 -9.853 14.276 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.195 -10.107 14.151 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.086 -10.351 12.019 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.443 -11.409 12.351 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.484 -9.515 10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.938 -10.080 11.157 1.00 0.00 H new ATOM 627 N HIS A 37 -15.235 -6.174 13.165 1.00 0.00 N ATOM 628 CA HIS A 37 -14.034 -5.337 13.123 1.00 0.00 C ATOM 629 C HIS A 37 -13.000 -5.780 14.166 1.00 0.00 C ATOM 630 O HIS A 37 -11.811 -5.902 13.864 1.00 0.00 O ATOM 631 CB HIS A 37 -14.423 -3.868 13.338 1.00 0.00 C ATOM 632 CG HIS A 37 -13.264 -2.947 13.585 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.745 -2.722 14.842 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.536 -2.180 12.736 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.752 -1.857 14.758 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.604 -1.511 13.493 1.00 0.00 N ATOM 0 H HIS A 37 -16.109 -5.650 13.112 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.572 -5.449 12.142 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.969 -3.518 12.462 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -15.107 -3.806 14.185 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.077 -3.157 15.703 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.664 -2.108 11.666 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.160 -1.493 15.585 1.00 0.00 H new ATOM 645 N GLU A 38 -13.459 -6.020 15.391 1.00 0.00 N ATOM 646 CA GLU A 38 -12.570 -6.447 16.467 1.00 0.00 C ATOM 647 C GLU A 38 -11.786 -7.695 16.073 1.00 0.00 C ATOM 648 O GLU A 38 -10.678 -7.919 16.556 1.00 0.00 O ATOM 649 CB GLU A 38 -13.369 -6.708 17.747 1.00 0.00 C ATOM 650 CG GLU A 38 -12.819 -5.984 18.966 1.00 0.00 C ATOM 651 CD GLU A 38 -12.228 -6.932 19.992 1.00 0.00 C ATOM 652 OE1 GLU A 38 -12.870 -7.962 20.286 1.00 0.00 O ATOM 653 OE2 GLU A 38 -11.125 -6.643 20.501 1.00 0.00 O ATOM 0 H GLU A 38 -14.438 -5.927 15.663 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.857 -5.643 16.651 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.403 -6.402 17.589 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.381 -7.780 17.946 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.054 -5.276 18.648 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.617 -5.404 19.430 1.00 0.00 H new ATOM 660 N GLU A 39 -12.352 -8.484 15.168 1.00 0.00 N ATOM 661 CA GLU A 39 -11.684 -9.684 14.682 1.00 0.00 C ATOM 662 C GLU A 39 -10.771 -9.290 13.547 1.00 0.00 C ATOM 663 O GLU A 39 -9.652 -9.784 13.412 1.00 0.00 O ATOM 664 CB GLU A 39 -12.697 -10.726 14.209 1.00 0.00 C ATOM 665 CG GLU A 39 -12.331 -12.150 14.592 1.00 0.00 C ATOM 666 CD GLU A 39 -12.633 -13.145 13.489 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.770 -13.130 12.971 1.00 0.00 O ATOM 668 OE2 GLU A 39 -11.733 -13.938 13.141 1.00 0.00 O ATOM 0 H GLU A 39 -13.270 -8.315 14.757 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.109 -10.133 15.492 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.674 -10.486 14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.791 -10.663 13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.270 -12.195 14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.878 -12.433 15.491 1.00 0.00 H new ATOM 675 N ARG A 40 -11.276 -8.366 12.744 1.00 0.00 N ATOM 676 CA ARG A 40 -10.547 -7.840 11.614 1.00 0.00 C ATOM 677 C ARG A 40 -9.193 -7.313 12.060 1.00 0.00 C ATOM 678 O ARG A 40 -8.249 -7.254 11.272 1.00 0.00 O ATOM 679 CB ARG A 40 -11.369 -6.741 10.963 1.00 0.00 C ATOM 680 CG ARG A 40 -12.218 -7.239 9.809 1.00 0.00 C ATOM 681 CD ARG A 40 -13.501 -7.881 10.313 1.00 0.00 C ATOM 682 NE ARG A 40 -13.340 -9.314 10.546 1.00 0.00 N ATOM 683 CZ ARG A 40 -13.381 -10.230 9.581 1.00 0.00 C ATOM 684 NH1 ARG A 40 -13.571 -9.868 8.320 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.229 -11.514 9.881 1.00 0.00 N ATOM 0 H ARG A 40 -12.205 -7.963 12.863 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.373 -8.633 10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.016 -6.287 11.713 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.700 -5.959 10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.459 -6.408 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.652 -7.962 9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.810 -7.396 11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.297 -7.719 9.587 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.187 -9.631 11.503 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.687 -8.882 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.601 -10.575 7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.081 -11.797 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.260 -12.217 9.143 1.00 0.00 H new ATOM 699 N GLN A 41 -9.093 -6.955 13.341 1.00 0.00 N ATOM 700 CA GLN A 41 -7.832 -6.466 13.884 1.00 0.00 C ATOM 701 C GLN A 41 -6.772 -7.542 13.706 1.00 0.00 C ATOM 702 O GLN A 41 -5.619 -7.261 13.370 1.00 0.00 O ATOM 703 CB GLN A 41 -7.981 -6.084 15.363 1.00 0.00 C ATOM 704 CG GLN A 41 -8.061 -7.273 16.309 1.00 0.00 C ATOM 705 CD GLN A 41 -6.702 -7.695 16.833 1.00 0.00 C ATOM 706 OE1 GLN A 41 -5.961 -8.413 16.163 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.370 -7.252 18.039 1.00 0.00 N ATOM 0 H GLN A 41 -9.861 -6.995 14.011 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.531 -5.566 13.347 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.136 -5.460 15.652 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.880 -5.478 15.482 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.708 -7.021 17.149 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.524 -8.113 15.792 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.016 -6.658 18.560 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.469 -7.505 18.445 1.00 0.00 H new ATOM 716 N THR A 42 -7.196 -8.788 13.897 1.00 0.00 N ATOM 717 CA THR A 42 -6.321 -9.932 13.724 1.00 0.00 C ATOM 718 C THR A 42 -6.308 -10.332 12.261 1.00 0.00 C ATOM 719 O THR A 42 -5.288 -10.787 11.742 1.00 0.00 O ATOM 720 CB THR A 42 -6.786 -11.105 14.591 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.797 -10.744 15.961 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.918 -12.336 14.449 1.00 0.00 C ATOM 0 H THR A 42 -8.148 -9.027 14.174 1.00 0.00 H new ATOM 0 HA THR A 42 -5.313 -9.661 14.037 1.00 0.00 H new ATOM 0 HB THR A 42 -7.789 -11.344 14.237 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.206 -9.975 16.101 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.303 -13.129 15.090 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.928 -12.671 13.412 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.896 -12.096 14.743 1.00 0.00 H new ATOM 730 N ARG A 43 -7.440 -10.132 11.584 1.00 0.00 N ATOM 731 CA ARG A 43 -7.523 -10.452 10.164 1.00 0.00 C ATOM 732 C ARG A 43 -6.523 -9.604 9.398 1.00 0.00 C ATOM 733 O ARG A 43 -5.937 -10.049 8.411 1.00 0.00 O ATOM 734 CB ARG A 43 -8.930 -10.207 9.619 1.00 0.00 C ATOM 735 CG ARG A 43 -10.016 -10.970 10.355 1.00 0.00 C ATOM 736 CD ARG A 43 -9.752 -12.467 10.342 1.00 0.00 C ATOM 737 NE ARG A 43 -9.752 -13.010 8.984 1.00 0.00 N ATOM 738 CZ ARG A 43 -8.732 -13.675 8.440 1.00 0.00 C ATOM 739 NH1 ARG A 43 -7.617 -13.890 9.129 1.00 0.00 N ATOM 740 NH2 ARG A 43 -8.829 -14.129 7.198 1.00 0.00 N ATOM 0 H ARG A 43 -8.297 -9.756 11.990 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.292 -11.510 10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.149 -9.141 9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.954 -10.485 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.074 -10.619 11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.982 -10.766 9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.791 -12.670 10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.512 -12.975 10.936 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.587 -12.871 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.534 -13.545 10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.844 -14.400 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.682 -13.969 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.051 -14.638 6.779 1.00 0.00 H new ATOM 754 N PHE A 44 -6.318 -8.378 9.877 1.00 0.00 N ATOM 755 CA PHE A 44 -5.378 -7.469 9.260 1.00 0.00 C ATOM 756 C PHE A 44 -3.955 -7.885 9.625 1.00 0.00 C ATOM 757 O PHE A 44 -3.116 -8.104 8.753 1.00 0.00 O ATOM 758 CB PHE A 44 -5.664 -6.040 9.724 1.00 0.00 C ATOM 759 CG PHE A 44 -4.434 -5.209 9.895 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.793 -4.665 8.796 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.917 -4.988 11.153 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.652 -3.909 8.953 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.774 -4.232 11.322 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.140 -3.691 10.219 1.00 0.00 C ATOM 0 H PHE A 44 -6.797 -7.999 10.694 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.484 -7.506 8.176 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.321 -5.557 9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.203 -6.075 10.671 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.191 -4.835 7.806 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.411 -5.410 12.016 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.159 -3.488 8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.377 -4.064 12.312 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.246 -3.099 10.346 1.00 0.00 H new ATOM 774 N GLN A 45 -3.701 -8.008 10.929 1.00 0.00 N ATOM 775 CA GLN A 45 -2.387 -8.417 11.419 1.00 0.00 C ATOM 776 C GLN A 45 -2.001 -9.767 10.826 1.00 0.00 C ATOM 777 O GLN A 45 -0.821 -10.062 10.630 1.00 0.00 O ATOM 778 CB GLN A 45 -2.388 -8.496 12.946 1.00 0.00 C ATOM 779 CG GLN A 45 -1.937 -7.211 13.622 1.00 0.00 C ATOM 780 CD GLN A 45 -0.436 -7.007 13.540 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.096 -6.647 12.490 1.00 0.00 O ATOM 782 NE2 GLN A 45 0.254 -7.235 14.651 1.00 0.00 N ATOM 0 H GLN A 45 -4.388 -7.830 11.662 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.654 -7.672 11.108 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.393 -8.743 13.288 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.735 -9.310 13.260 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.441 -6.364 13.158 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.241 -7.229 14.669 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.229 -7.532 15.499 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.267 -7.113 14.657 1.00 0.00 H new ATOM 791 N ASN A 46 -3.013 -10.574 10.520 1.00 0.00 N ATOM 792 CA ASN A 46 -2.799 -11.885 9.922 1.00 0.00 C ATOM 793 C ASN A 46 -2.624 -11.731 8.419 1.00 0.00 C ATOM 794 O ASN A 46 -1.936 -12.519 7.773 1.00 0.00 O ATOM 795 CB ASN A 46 -3.973 -12.819 10.222 1.00 0.00 C ATOM 796 CG ASN A 46 -3.884 -13.435 11.604 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.771 -12.727 12.605 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.930 -14.761 11.665 1.00 0.00 N ATOM 0 H ASN A 46 -3.993 -10.340 10.678 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.899 -12.325 10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.907 -12.264 10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.003 -13.612 9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.871 -15.232 12.568 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.024 -15.308 10.809 1.00 0.00 H new ATOM 805 N ALA A 47 -3.227 -10.675 7.883 1.00 0.00 N ATOM 806 CA ALA A 47 -3.119 -10.365 6.472 1.00 0.00 C ATOM 807 C ALA A 47 -1.685 -9.977 6.175 1.00 0.00 C ATOM 808 O ALA A 47 -1.159 -10.248 5.096 1.00 0.00 O ATOM 809 CB ALA A 47 -4.075 -9.242 6.096 1.00 0.00 C ATOM 0 H ALA A 47 -3.799 -10.018 8.414 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.392 -11.237 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.979 -9.023 5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.099 -9.548 6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.833 -8.350 6.673 1.00 0.00 H new ATOM 815 N CYS A 48 -1.045 -9.375 7.176 1.00 0.00 N ATOM 816 CA CYS A 48 0.352 -8.989 7.055 1.00 0.00 C ATOM 817 C CYS A 48 1.198 -10.243 6.917 1.00 0.00 C ATOM 818 O CYS A 48 2.319 -10.201 6.412 1.00 0.00 O ATOM 819 CB CYS A 48 0.796 -8.179 8.274 1.00 0.00 C ATOM 820 SG CYS A 48 0.057 -6.532 8.375 1.00 0.00 S ATOM 0 H CYS A 48 -1.472 -9.147 8.074 1.00 0.00 H new ATOM 0 HA CYS A 48 0.479 -8.362 6.173 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.544 -8.735 9.177 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.881 -8.078 8.254 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.253 -6.271 9.610 1.00 0.00 H new ATOM 826 N ARG A 49 0.635 -11.372 7.354 1.00 0.00 N ATOM 827 CA ARG A 49 1.328 -12.649 7.259 1.00 0.00 C ATOM 828 C ARG A 49 1.402 -13.087 5.798 1.00 0.00 C ATOM 829 O ARG A 49 2.339 -13.772 5.387 1.00 0.00 O ATOM 830 CB ARG A 49 0.620 -13.711 8.117 1.00 0.00 C ATOM 831 CG ARG A 49 -0.224 -14.703 7.326 1.00 0.00 C ATOM 832 CD ARG A 49 -1.012 -15.622 8.246 1.00 0.00 C ATOM 833 NE ARG A 49 -0.414 -16.952 8.333 1.00 0.00 N ATOM 834 CZ ARG A 49 -1.063 -18.030 8.766 1.00 0.00 C ATOM 835 NH1 ARG A 49 -2.330 -17.942 9.150 1.00 0.00 N ATOM 836 NH2 ARG A 49 -0.444 -19.201 8.812 1.00 0.00 N ATOM 0 H ARG A 49 -0.293 -11.423 7.774 1.00 0.00 H new ATOM 0 HA ARG A 49 2.343 -12.534 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.371 -14.262 8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.019 -13.207 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.911 -14.161 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.422 -15.299 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.063 -15.181 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.036 -15.708 7.883 1.00 0.00 H new ATOM 0 HE ARG A 49 0.558 -17.061 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.813 -17.044 9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.821 -18.772 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.529 -19.275 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.941 -20.028 9.144 1.00 0.00 H new ATOM 850 N ASP A 50 0.405 -12.672 5.018 1.00 0.00 N ATOM 851 CA ASP A 50 0.347 -13.005 3.600 1.00 0.00 C ATOM 852 C ASP A 50 0.747 -11.806 2.739 1.00 0.00 C ATOM 853 O ASP A 50 0.637 -11.849 1.514 1.00 0.00 O ATOM 854 CB ASP A 50 -1.060 -13.471 3.223 1.00 0.00 C ATOM 855 CG ASP A 50 -1.307 -14.920 3.590 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.527 -15.788 3.143 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.280 -15.190 4.325 1.00 0.00 O ATOM 0 H ASP A 50 -0.375 -12.103 5.348 1.00 0.00 H new ATOM 0 HA ASP A 50 1.054 -13.814 3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.795 -12.842 3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.208 -13.340 2.151 1.00 0.00 H new ATOM 862 N GLY A 51 1.220 -10.741 3.384 1.00 0.00 N ATOM 863 CA GLY A 51 1.636 -9.554 2.658 1.00 0.00 C ATOM 864 C GLY A 51 0.513 -8.929 1.851 1.00 0.00 C ATOM 865 O GLY A 51 0.738 -8.438 0.748 1.00 0.00 O ATOM 0 H GLY A 51 1.322 -10.680 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.021 -8.819 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.456 -9.813 1.989 1.00 0.00 H new ATOM 869 N ARG A 52 -0.695 -8.948 2.401 1.00 0.00 N ATOM 870 CA ARG A 52 -1.855 -8.377 1.725 1.00 0.00 C ATOM 871 C ARG A 52 -2.892 -7.862 2.710 1.00 0.00 C ATOM 872 O ARG A 52 -3.330 -8.582 3.604 1.00 0.00 O ATOM 873 CB ARG A 52 -2.494 -9.410 0.814 1.00 0.00 C ATOM 874 CG ARG A 52 -1.803 -9.504 -0.523 1.00 0.00 C ATOM 875 CD ARG A 52 -1.312 -10.915 -0.798 1.00 0.00 C ATOM 876 NE ARG A 52 -0.162 -10.931 -1.700 1.00 0.00 N ATOM 877 CZ ARG A 52 0.156 -11.961 -2.484 1.00 0.00 C ATOM 878 NH1 ARG A 52 -0.580 -13.066 -2.477 1.00 0.00 N ATOM 879 NH2 ARG A 52 1.217 -11.886 -3.276 1.00 0.00 N ATOM 0 H ARG A 52 -0.898 -9.353 3.315 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.500 -7.532 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.470 -10.385 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.543 -9.156 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.490 -9.197 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.960 -8.813 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.041 -11.394 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.121 -11.502 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 52 0.434 -10.103 -1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.396 -13.131 -1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.329 -13.849 -3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.788 -11.041 -3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.462 -12.673 -3.877 1.00 0.00 H new ATOM 893 N SER A 53 -3.298 -6.616 2.516 1.00 0.00 N ATOM 894 CA SER A 53 -4.314 -5.997 3.368 1.00 0.00 C ATOM 895 C SER A 53 -5.209 -5.053 2.574 1.00 0.00 C ATOM 896 O SER A 53 -4.888 -4.665 1.447 1.00 0.00 O ATOM 897 CB SER A 53 -3.682 -5.240 4.539 1.00 0.00 C ATOM 898 OG SER A 53 -2.621 -5.977 5.120 1.00 0.00 O ATOM 0 H SER A 53 -2.942 -6.010 1.777 1.00 0.00 H new ATOM 0 HA SER A 53 -4.924 -6.808 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.310 -4.276 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.441 -5.036 5.294 1.00 0.00 H new ATOM 0 HG SER A 53 -1.802 -5.837 4.600 1.00 0.00 H new ATOM 904 N GLU A 54 -6.319 -4.667 3.190 1.00 0.00 N ATOM 905 CA GLU A 54 -7.265 -3.743 2.580 1.00 0.00 C ATOM 906 C GLU A 54 -7.494 -2.567 3.520 1.00 0.00 C ATOM 907 O GLU A 54 -8.242 -2.674 4.491 1.00 0.00 O ATOM 908 CB GLU A 54 -8.590 -4.447 2.280 1.00 0.00 C ATOM 909 CG GLU A 54 -9.433 -3.734 1.235 1.00 0.00 C ATOM 910 CD GLU A 54 -10.283 -4.691 0.421 1.00 0.00 C ATOM 911 OE1 GLU A 54 -11.414 -4.995 0.854 1.00 0.00 O ATOM 912 OE2 GLU A 54 -9.816 -5.135 -0.649 1.00 0.00 O ATOM 0 H GLU A 54 -6.588 -4.984 4.122 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.854 -3.381 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.384 -5.461 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.164 -4.532 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.080 -3.009 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.779 -3.175 0.566 1.00 0.00 H new ATOM 919 N ILE A 55 -6.822 -1.455 3.247 1.00 0.00 N ATOM 920 CA ILE A 55 -6.934 -0.274 4.097 1.00 0.00 C ATOM 921 C ILE A 55 -7.667 0.865 3.400 1.00 0.00 C ATOM 922 O ILE A 55 -7.580 1.028 2.183 1.00 0.00 O ATOM 923 CB ILE A 55 -5.546 0.238 4.544 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.528 -0.905 4.586 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.647 0.913 5.903 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.929 -2.040 5.501 1.00 0.00 C ATOM 0 H ILE A 55 -6.197 -1.345 2.448 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.508 -0.587 4.969 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.200 0.970 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.390 -1.294 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.565 -0.511 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.663 1.269 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.335 1.756 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.016 0.198 6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.161 -2.813 5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.039 -1.665 6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.877 -2.461 5.165 1.00 0.00 H new ATOM 938 N ALA A 56 -8.374 1.660 4.195 1.00 0.00 N ATOM 939 CA ALA A 56 -9.114 2.805 3.682 1.00 0.00 C ATOM 940 C ALA A 56 -8.290 4.075 3.844 1.00 0.00 C ATOM 941 O ALA A 56 -7.422 4.151 4.714 1.00 0.00 O ATOM 942 CB ALA A 56 -10.449 2.938 4.398 1.00 0.00 C ATOM 0 H ALA A 56 -8.450 1.530 5.204 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.310 2.650 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.990 3.798 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.038 2.035 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.277 3.076 5.465 1.00 0.00 H new ATOM 948 N PHE A 57 -8.547 5.063 3.000 1.00 0.00 N ATOM 949 CA PHE A 57 -7.806 6.314 3.059 1.00 0.00 C ATOM 950 C PHE A 57 -8.723 7.446 3.527 1.00 0.00 C ATOM 951 O PHE A 57 -9.774 7.683 2.934 1.00 0.00 O ATOM 952 CB PHE A 57 -7.227 6.622 1.676 1.00 0.00 C ATOM 953 CG PHE A 57 -5.912 7.348 1.705 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.509 8.059 2.823 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.065 7.296 0.609 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.290 8.704 2.848 1.00 0.00 C ATOM 957 CE2 PHE A 57 -3.846 7.940 0.625 1.00 0.00 C ATOM 958 CZ PHE A 57 -3.456 8.645 1.747 1.00 0.00 C ATOM 0 H PHE A 57 -9.259 5.024 2.270 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.988 6.223 3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.100 5.686 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.947 7.221 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.157 8.109 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.364 6.743 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.987 9.254 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.198 7.893 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.501 9.149 1.764 1.00 0.00 H new ATOM 968 N VAL A 58 -8.333 8.127 4.604 1.00 0.00 N ATOM 969 CA VAL A 58 -9.144 9.212 5.153 1.00 0.00 C ATOM 970 C VAL A 58 -9.082 10.469 4.290 1.00 0.00 C ATOM 971 O VAL A 58 -9.999 11.291 4.316 1.00 0.00 O ATOM 972 CB VAL A 58 -8.709 9.575 6.587 1.00 0.00 C ATOM 973 CG1 VAL A 58 -9.715 10.520 7.226 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.533 8.320 7.432 1.00 0.00 C ATOM 0 H VAL A 58 -7.466 7.948 5.111 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.169 8.842 5.166 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.747 10.084 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.392 10.765 8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.783 11.433 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.693 10.039 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.226 8.600 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.477 7.777 7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.770 7.684 6.984 1.00 0.00 H new ATOM 984 N ALA A 59 -8.002 10.620 3.531 1.00 0.00 N ATOM 985 CA ALA A 59 -7.836 11.788 2.671 1.00 0.00 C ATOM 986 C ALA A 59 -9.077 12.038 1.818 1.00 0.00 C ATOM 987 O ALA A 59 -9.587 13.157 1.761 1.00 0.00 O ATOM 988 CB ALA A 59 -6.611 11.623 1.786 1.00 0.00 C ATOM 0 H ALA A 59 -7.232 9.953 3.493 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.695 12.656 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.500 12.502 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.724 11.512 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.729 10.737 1.162 1.00 0.00 H new ATOM 994 N THR A 60 -9.558 10.990 1.156 1.00 0.00 N ATOM 995 CA THR A 60 -10.739 11.105 0.306 1.00 0.00 C ATOM 996 C THR A 60 -11.649 9.885 0.444 1.00 0.00 C ATOM 997 O THR A 60 -12.522 9.657 -0.392 1.00 0.00 O ATOM 998 CB THR A 60 -10.321 11.278 -1.155 1.00 0.00 C ATOM 999 OG1 THR A 60 -9.093 10.620 -1.406 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.159 12.726 -1.562 1.00 0.00 C ATOM 0 H THR A 60 -9.151 10.056 1.191 1.00 0.00 H new ATOM 0 HA THR A 60 -11.298 11.982 0.631 1.00 0.00 H new ATOM 0 HB THR A 60 -11.129 10.841 -1.741 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.843 10.741 -2.346 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.862 12.778 -2.609 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.105 13.250 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.393 13.194 -0.944 1.00 0.00 H new ATOM 1008 N GLY A 61 -11.442 9.103 1.502 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.258 7.922 1.714 1.00 0.00 C ATOM 1010 C GLY A 61 -12.151 6.931 0.572 1.00 0.00 C ATOM 1011 O GLY A 61 -13.157 6.388 0.114 1.00 0.00 O ATOM 0 H GLY A 61 -10.728 9.266 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.955 7.437 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.299 8.221 1.836 1.00 0.00 H new ATOM 1015 N THR A 62 -10.927 6.698 0.107 1.00 0.00 N ATOM 1016 CA THR A 62 -10.692 5.768 -0.991 1.00 0.00 C ATOM 1017 C THR A 62 -10.254 4.402 -0.471 1.00 0.00 C ATOM 1018 O THR A 62 -9.305 4.298 0.307 1.00 0.00 O ATOM 1019 CB THR A 62 -9.631 6.327 -1.943 1.00 0.00 C ATOM 1020 OG1 THR A 62 -9.363 5.408 -2.987 1.00 0.00 O ATOM 1021 CG2 THR A 62 -8.315 6.644 -1.266 1.00 0.00 C ATOM 0 H THR A 62 -10.084 7.140 0.473 1.00 0.00 H new ATOM 0 HA THR A 62 -11.630 5.645 -1.532 1.00 0.00 H new ATOM 0 HB THR A 62 -10.053 7.256 -2.326 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.684 5.783 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.612 7.035 -2.002 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.477 7.389 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.907 5.736 -0.821 1.00 0.00 H new ATOM 1029 N ASN A 63 -10.943 3.354 -0.912 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.609 1.997 -0.497 1.00 0.00 C ATOM 1031 C ASN A 63 -9.420 1.491 -1.303 1.00 0.00 C ATOM 1032 O ASN A 63 -9.397 1.616 -2.527 1.00 0.00 O ATOM 1033 CB ASN A 63 -11.810 1.068 -0.685 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.644 -0.247 0.052 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.861 -0.326 1.260 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -11.255 -1.288 -0.676 1.00 0.00 N ATOM 0 H ASN A 63 -11.733 3.418 -1.554 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.346 2.007 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.712 1.568 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.951 0.871 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.125 -2.199 -0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.086 -1.177 -1.676 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.422 0.944 -0.618 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.229 0.456 -1.297 1.00 0.00 C ATOM 1045 C LEU A 64 -6.848 -0.957 -0.868 1.00 0.00 C ATOM 1046 O LEU A 64 -6.572 -1.215 0.304 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.056 1.401 -1.033 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.375 2.891 -1.192 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -5.743 3.698 -0.070 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -5.898 3.395 -2.546 1.00 0.00 C ATOM 0 H LEU A 64 -8.415 0.828 0.395 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.458 0.425 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.692 1.229 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.243 1.145 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.456 3.018 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.982 4.753 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.132 3.355 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.661 3.565 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.132 4.455 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.820 3.253 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.399 2.839 -3.338 1.00 0.00 H new ATOM 1062 N SER A 65 -6.789 -1.854 -1.847 1.00 0.00 N ATOM 1063 CA SER A 65 -6.390 -3.236 -1.611 1.00 0.00 C ATOM 1064 C SER A 65 -4.988 -3.424 -2.173 1.00 0.00 C ATOM 1065 O SER A 65 -4.794 -3.408 -3.388 1.00 0.00 O ATOM 1066 CB SER A 65 -7.367 -4.207 -2.278 1.00 0.00 C ATOM 1067 OG SER A 65 -8.676 -3.664 -2.318 1.00 0.00 O ATOM 0 H SER A 65 -7.015 -1.645 -2.820 1.00 0.00 H new ATOM 0 HA SER A 65 -6.400 -3.446 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.030 -4.429 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.377 -5.150 -1.732 1.00 0.00 H new ATOM 0 HG SER A 65 -9.325 -4.356 -2.072 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.002 -3.539 -1.291 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.617 -3.655 -1.730 1.00 0.00 C ATOM 1075 C LEU A 66 -1.956 -4.963 -1.327 1.00 0.00 C ATOM 1076 O LEU A 66 -2.282 -5.562 -0.303 1.00 0.00 O ATOM 1077 CB LEU A 66 -1.803 -2.494 -1.168 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.489 -1.132 -1.246 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.087 -0.754 0.100 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.500 -0.079 -1.708 1.00 0.00 C ATOM 0 H LEU A 66 -4.133 -3.554 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.638 -3.632 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.566 -2.706 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.856 -2.439 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.301 -1.190 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.571 0.220 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.823 -1.502 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.297 -0.708 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.998 0.889 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.672 -0.023 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.119 -0.345 -2.694 1.00 0.00 H new ATOM 1092 N GLN A 67 -0.989 -5.367 -2.144 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.215 -6.575 -1.900 1.00 0.00 C ATOM 1094 C GLN A 67 1.241 -6.191 -1.659 1.00 0.00 C ATOM 1095 O GLN A 67 1.959 -5.832 -2.591 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.319 -7.533 -3.089 1.00 0.00 C ATOM 1097 CG GLN A 67 -1.721 -7.638 -3.667 1.00 0.00 C ATOM 1098 CD GLN A 67 -1.763 -8.444 -4.951 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.796 -9.674 -4.924 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -1.761 -7.752 -6.084 1.00 0.00 N ATOM 0 H GLN A 67 -0.722 -4.866 -2.992 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.611 -7.084 -1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.364 -7.202 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.011 -8.524 -2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.380 -8.099 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.107 -6.637 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.733 -6.733 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.788 -8.240 -6.979 1.00 0.00 H new ATOM 1109 N PHE A 68 1.662 -6.240 -0.401 1.00 0.00 N ATOM 1110 CA PHE A 68 3.025 -5.866 -0.037 1.00 0.00 C ATOM 1111 C PHE A 68 3.901 -7.057 0.330 1.00 0.00 C ATOM 1112 O PHE A 68 3.558 -7.881 1.178 1.00 0.00 O ATOM 1113 CB PHE A 68 3.032 -4.841 1.100 1.00 0.00 C ATOM 1114 CG PHE A 68 1.749 -4.764 1.875 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.257 -5.857 2.577 1.00 0.00 C ATOM 1116 CD2 PHE A 68 1.034 -3.580 1.896 1.00 0.00 C ATOM 1117 CE1 PHE A 68 0.077 -5.760 3.282 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.144 -3.479 2.600 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.624 -4.570 3.295 1.00 0.00 C ATOM 0 H PHE A 68 1.081 -6.534 0.384 1.00 0.00 H new ATOM 0 HA PHE A 68 3.457 -5.417 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.843 -5.084 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.251 -3.857 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.803 -6.789 2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.405 -2.724 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.300 -6.615 3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.691 -2.548 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.548 -4.493 3.849 1.00 0.00 H new ATOM 1129 N PHE A 69 5.053 -7.099 -0.323 1.00 0.00 N ATOM 1130 CA PHE A 69 6.059 -8.131 -0.115 1.00 0.00 C ATOM 1131 C PHE A 69 7.410 -7.614 -0.596 1.00 0.00 C ATOM 1132 O PHE A 69 7.487 -6.963 -1.638 1.00 0.00 O ATOM 1133 CB PHE A 69 5.699 -9.408 -0.873 1.00 0.00 C ATOM 1134 CG PHE A 69 4.871 -10.379 -0.084 1.00 0.00 C ATOM 1135 CD1 PHE A 69 5.170 -10.661 1.243 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.796 -11.024 -0.676 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.408 -11.568 1.958 1.00 0.00 C ATOM 1138 CE2 PHE A 69 3.033 -11.927 0.036 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.341 -12.201 1.353 1.00 0.00 C ATOM 0 H PHE A 69 5.320 -6.407 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 69 6.104 -8.367 0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.157 -9.138 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.618 -9.903 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.004 -10.168 1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.553 -10.817 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.648 -11.781 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.196 -12.419 -0.437 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.747 -12.911 1.910 1.00 0.00 H new ATOM 1149 N PRO A 70 8.499 -7.889 0.137 1.00 0.00 N ATOM 1150 CA PRO A 70 9.830 -7.432 -0.262 1.00 0.00 C ATOM 1151 C PRO A 70 10.124 -7.750 -1.720 1.00 0.00 C ATOM 1152 O PRO A 70 10.360 -8.900 -2.076 1.00 0.00 O ATOM 1153 CB PRO A 70 10.764 -8.207 0.663 1.00 0.00 C ATOM 1154 CG PRO A 70 9.944 -8.500 1.873 1.00 0.00 C ATOM 1155 CD PRO A 70 8.526 -8.662 1.392 1.00 0.00 C ATOM 0 HA PRO A 70 9.940 -6.351 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.116 -9.125 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.647 -7.620 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.292 -9.406 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.018 -7.690 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.276 -9.710 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.809 -8.276 2.117 1.00 0.00 H new ATOM 1163 N ALA A 71 10.097 -6.718 -2.557 1.00 0.00 N ATOM 1164 CA ALA A 71 10.345 -6.870 -3.988 1.00 0.00 C ATOM 1165 C ALA A 71 11.646 -7.619 -4.274 1.00 0.00 C ATOM 1166 O ALA A 71 11.852 -8.118 -5.380 1.00 0.00 O ATOM 1167 CB ALA A 71 10.353 -5.508 -4.669 1.00 0.00 C ATOM 0 H ALA A 71 9.904 -5.759 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 71 9.533 -7.471 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.539 -5.636 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.387 -5.023 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.138 -4.889 -4.235 1.00 0.00 H new ATOM 1173 N SER A 72 12.519 -7.696 -3.278 1.00 0.00 N ATOM 1174 CA SER A 72 13.792 -8.388 -3.428 1.00 0.00 C ATOM 1175 C SER A 72 13.606 -9.903 -3.438 1.00 0.00 C ATOM 1176 O SER A 72 14.492 -10.642 -3.867 1.00 0.00 O ATOM 1177 CB SER A 72 14.725 -7.989 -2.294 1.00 0.00 C ATOM 1178 OG SER A 72 16.083 -8.155 -2.662 1.00 0.00 O ATOM 0 H SER A 72 12.368 -7.287 -2.356 1.00 0.00 H new ATOM 0 HA SER A 72 14.227 -8.098 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.545 -6.949 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.508 -8.593 -1.413 1.00 0.00 H new ATOM 0 HG SER A 72 16.659 -7.890 -1.915 1.00 0.00 H new ATOM 1319 N PRO A 81 7.074 -12.895 5.321 1.00 0.00 N ATOM 1320 CA PRO A 81 7.420 -11.581 4.776 1.00 0.00 C ATOM 1321 C PRO A 81 8.444 -10.835 5.623 1.00 0.00 C ATOM 1322 O PRO A 81 8.788 -11.262 6.726 1.00 0.00 O ATOM 1323 CB PRO A 81 6.085 -10.816 4.774 1.00 0.00 C ATOM 1324 CG PRO A 81 5.085 -11.728 5.414 1.00 0.00 C ATOM 1325 CD PRO A 81 5.628 -13.120 5.267 1.00 0.00 C ATOM 0 HA PRO A 81 7.879 -11.676 3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.170 -9.881 5.328 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.784 -10.559 3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.945 -11.475 6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.112 -11.637 4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.288 -13.776 6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.322 -13.579 4.327 1.00 0.00 H new ATOM 1333 N SER A 82 8.914 -9.712 5.097 1.00 0.00 N ATOM 1334 CA SER A 82 9.891 -8.888 5.800 1.00 0.00 C ATOM 1335 C SER A 82 9.275 -7.551 6.197 1.00 0.00 C ATOM 1336 O SER A 82 8.278 -7.123 5.614 1.00 0.00 O ATOM 1337 CB SER A 82 11.121 -8.656 4.920 1.00 0.00 C ATOM 1338 OG SER A 82 12.287 -8.483 5.707 1.00 0.00 O ATOM 0 H SER A 82 8.635 -9.350 4.185 1.00 0.00 H new ATOM 0 HA SER A 82 10.197 -9.414 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.255 -9.503 4.247 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.965 -7.775 4.297 1.00 0.00 H new ATOM 0 HG SER A 82 13.059 -8.338 5.121 1.00 0.00 H new ATOM 1344 N ARG A 83 9.869 -6.893 7.187 1.00 0.00 N ATOM 1345 CA ARG A 83 9.366 -5.602 7.648 1.00 0.00 C ATOM 1346 C ARG A 83 9.519 -4.532 6.567 1.00 0.00 C ATOM 1347 O ARG A 83 8.965 -3.439 6.683 1.00 0.00 O ATOM 1348 CB ARG A 83 10.073 -5.159 8.934 1.00 0.00 C ATOM 1349 CG ARG A 83 10.469 -6.308 9.851 1.00 0.00 C ATOM 1350 CD ARG A 83 10.036 -6.052 11.286 1.00 0.00 C ATOM 1351 NE ARG A 83 10.064 -7.269 12.093 1.00 0.00 N ATOM 1352 CZ ARG A 83 11.169 -7.772 12.641 1.00 0.00 C ATOM 1353 NH1 ARG A 83 12.337 -7.167 12.468 1.00 0.00 N ATOM 1354 NH2 ARG A 83 11.104 -8.882 13.362 1.00 0.00 N ATOM 0 H ARG A 83 10.694 -7.229 7.684 1.00 0.00 H new ATOM 0 HA ARG A 83 8.305 -5.725 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.967 -4.595 8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.418 -4.480 9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.017 -7.233 9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.549 -6.447 9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.691 -5.305 11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.028 -5.637 11.292 1.00 0.00 H new ATOM 0 HE ARG A 83 9.185 -7.763 12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.392 -6.313 11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.180 -7.556 12.890 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.208 -9.351 13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.950 -9.268 13.782 1.00 0.00 H new ATOM 1368 N GLU A 84 10.264 -4.855 5.510 1.00 0.00 N ATOM 1369 CA GLU A 84 10.475 -3.927 4.407 1.00 0.00 C ATOM 1370 C GLU A 84 9.144 -3.480 3.819 1.00 0.00 C ATOM 1371 O GLU A 84 8.868 -2.284 3.717 1.00 0.00 O ATOM 1372 CB GLU A 84 11.338 -4.579 3.325 1.00 0.00 C ATOM 1373 CG GLU A 84 12.468 -3.691 2.829 1.00 0.00 C ATOM 1374 CD GLU A 84 11.982 -2.329 2.372 1.00 0.00 C ATOM 1375 OE1 GLU A 84 11.532 -1.540 3.229 1.00 0.00 O ATOM 1376 OE2 GLU A 84 12.055 -2.050 1.157 1.00 0.00 O ATOM 0 H GLU A 84 10.731 -5.755 5.397 1.00 0.00 H new ATOM 0 HA GLU A 84 10.994 -3.049 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.760 -5.504 3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.704 -4.851 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.201 -3.563 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.979 -4.186 2.003 1.00 0.00 H new ATOM 1383 N TYR A 85 8.323 -4.448 3.426 1.00 0.00 N ATOM 1384 CA TYR A 85 7.024 -4.152 2.842 1.00 0.00 C ATOM 1385 C TYR A 85 5.895 -4.459 3.826 1.00 0.00 C ATOM 1386 O TYR A 85 4.783 -3.961 3.681 1.00 0.00 O ATOM 1387 CB TYR A 85 6.847 -4.929 1.540 1.00 0.00 C ATOM 1388 CG TYR A 85 7.632 -4.345 0.381 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.906 -3.809 0.566 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.100 -4.331 -0.901 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.618 -3.280 -0.493 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.809 -3.805 -1.963 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.066 -3.281 -1.754 1.00 0.00 C ATOM 1394 OH TYR A 85 9.774 -2.755 -2.812 1.00 0.00 O ATOM 0 H TYR A 85 8.536 -5.443 3.502 1.00 0.00 H new ATOM 0 HA TYR A 85 6.979 -3.086 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.158 -5.962 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.789 -4.951 1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.343 -3.807 1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.114 -4.739 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.603 -2.868 -0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.380 -3.804 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 85 9.243 -2.834 -3.632 1.00 0.00 H new ATOM 1404 N VAL A 86 6.198 -5.255 4.847 1.00 0.00 N ATOM 1405 CA VAL A 86 5.223 -5.587 5.873 1.00 0.00 C ATOM 1406 C VAL A 86 5.928 -5.804 7.202 1.00 0.00 C ATOM 1407 O VAL A 86 6.632 -6.793 7.395 1.00 0.00 O ATOM 1408 CB VAL A 86 4.391 -6.835 5.540 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.009 -6.440 5.044 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.094 -7.723 4.526 1.00 0.00 C ATOM 0 H VAL A 86 7.114 -5.682 4.983 1.00 0.00 H new ATOM 0 HA VAL A 86 4.535 -4.744 5.929 1.00 0.00 H new ATOM 0 HB VAL A 86 4.279 -7.412 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.435 -7.337 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.495 -5.869 5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.105 -5.830 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.475 -8.595 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.258 -7.164 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.053 -8.047 4.930 1.00 0.00 H new ATOM 1420 N ASP A 87 5.736 -4.856 8.103 1.00 0.00 N ATOM 1421 CA ASP A 87 6.357 -4.900 9.420 1.00 0.00 C ATOM 1422 C ASP A 87 5.355 -5.300 10.494 1.00 0.00 C ATOM 1423 O ASP A 87 4.167 -4.997 10.397 1.00 0.00 O ATOM 1424 CB ASP A 87 6.971 -3.535 9.750 1.00 0.00 C ATOM 1425 CG ASP A 87 7.544 -3.468 11.153 1.00 0.00 C ATOM 1426 OD1 ASP A 87 6.749 -3.467 12.117 1.00 0.00 O ATOM 1427 OD2 ASP A 87 8.784 -3.412 11.288 1.00 0.00 O ATOM 0 H ASP A 87 5.149 -4.037 7.946 1.00 0.00 H new ATOM 0 HA ASP A 87 7.142 -5.656 9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.759 -3.313 9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.210 -2.763 9.637 1.00 0.00 H new ATOM 1515 N GLY A 93 4.196 1.327 17.961 1.00 0.00 N ATOM 1516 CA GLY A 93 2.897 1.002 18.524 1.00 0.00 C ATOM 1517 C GLY A 93 1.889 0.587 17.466 1.00 0.00 C ATOM 1518 O GLY A 93 0.766 0.201 17.787 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.011 0.196 19.248 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.514 1.866 19.067 1.00 0.00 H new ATOM 1522 N LYS A 94 2.294 0.665 16.202 1.00 0.00 N ATOM 1523 CA LYS A 94 1.429 0.297 15.089 1.00 0.00 C ATOM 1524 C LYS A 94 2.210 -0.545 14.082 1.00 0.00 C ATOM 1525 O LYS A 94 3.409 -0.769 14.250 1.00 0.00 O ATOM 1526 CB LYS A 94 0.870 1.550 14.398 1.00 0.00 C ATOM 1527 CG LYS A 94 0.929 2.807 15.254 1.00 0.00 C ATOM 1528 CD LYS A 94 2.224 3.573 15.031 1.00 0.00 C ATOM 1529 CE LYS A 94 2.549 4.473 16.211 1.00 0.00 C ATOM 1530 NZ LYS A 94 1.521 5.534 16.399 1.00 0.00 N ATOM 0 H LYS A 94 3.222 0.982 15.923 1.00 0.00 H new ATOM 0 HA LYS A 94 0.594 -0.286 15.478 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.427 1.723 13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.166 1.364 14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.080 3.449 15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.842 2.536 16.306 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.041 2.869 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.141 4.174 14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.620 3.872 17.117 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.524 4.935 16.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.821 6.177 17.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.410 6.070 15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.613 5.096 16.655 1.00 0.00 H new ATOM 1544 N VAL A 95 1.532 -1.004 13.037 1.00 0.00 N ATOM 1545 CA VAL A 95 2.176 -1.816 12.008 1.00 0.00 C ATOM 1546 C VAL A 95 2.092 -1.129 10.646 1.00 0.00 C ATOM 1547 O VAL A 95 1.003 -0.816 10.166 1.00 0.00 O ATOM 1548 CB VAL A 95 1.552 -3.234 11.934 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.090 -3.205 12.355 1.00 0.00 C ATOM 1550 CG2 VAL A 95 1.697 -3.837 10.541 1.00 0.00 C ATOM 0 H VAL A 95 0.540 -0.829 12.879 1.00 0.00 H new ATOM 0 HA VAL A 95 3.226 -1.923 12.282 1.00 0.00 H new ATOM 0 HB VAL A 95 2.099 -3.869 12.630 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.326 -4.211 12.295 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.014 -2.841 13.380 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.466 -2.542 11.692 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.249 -4.830 10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.192 -3.200 9.815 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.754 -3.912 10.285 1.00 0.00 H new ATOM 1560 N TYR A 96 3.251 -0.904 10.027 1.00 0.00 N ATOM 1561 CA TYR A 96 3.310 -0.255 8.716 1.00 0.00 C ATOM 1562 C TYR A 96 3.819 -1.193 7.629 1.00 0.00 C ATOM 1563 O TYR A 96 4.687 -2.034 7.864 1.00 0.00 O ATOM 1564 CB TYR A 96 4.168 1.021 8.746 1.00 0.00 C ATOM 1565 CG TYR A 96 5.116 1.142 9.923 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.954 0.098 10.299 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.173 2.320 10.655 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.816 0.228 11.371 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.031 2.458 11.726 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.851 1.410 12.081 1.00 0.00 C ATOM 1571 OH TYR A 96 7.710 1.544 13.147 1.00 0.00 O ATOM 0 H TYR A 96 4.160 -1.161 10.411 1.00 0.00 H new ATOM 0 HA TYR A 96 2.284 0.021 8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.751 1.068 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.503 1.885 8.747 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.931 -0.829 9.745 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.533 3.145 10.380 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.460 -0.592 11.652 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.060 3.383 12.283 1.00 0.00 H new ATOM 0 HH TYR A 96 7.611 2.438 13.537 1.00 0.00 H new ATOM 1581 N LEU A 97 3.263 -1.028 6.431 1.00 0.00 N ATOM 1582 CA LEU A 97 3.638 -1.840 5.282 1.00 0.00 C ATOM 1583 C LEU A 97 3.703 -0.988 4.014 1.00 0.00 C ATOM 1584 O LEU A 97 2.976 -0.003 3.879 1.00 0.00 O ATOM 1585 CB LEU A 97 2.650 -2.998 5.090 1.00 0.00 C ATOM 1586 CG LEU A 97 1.183 -2.681 5.408 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.976 -2.458 6.900 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.718 -1.469 4.621 1.00 0.00 C ATOM 0 H LEU A 97 2.545 -0.332 6.233 1.00 0.00 H new ATOM 0 HA LEU A 97 4.628 -2.255 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.713 -3.338 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.967 -3.830 5.719 1.00 0.00 H new ATOM 0 HG LEU A 97 0.584 -3.542 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.074 -2.235 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.262 -3.357 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.591 -1.621 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.325 -1.259 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.331 -0.607 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.813 -1.670 3.554 1.00 0.00 H new ATOM 1600 N LYS A 98 4.578 -1.380 3.093 1.00 0.00 N ATOM 1601 CA LYS A 98 4.751 -0.672 1.829 1.00 0.00 C ATOM 1602 C LYS A 98 4.516 -1.619 0.656 1.00 0.00 C ATOM 1603 O LYS A 98 5.110 -2.695 0.593 1.00 0.00 O ATOM 1604 CB LYS A 98 6.159 -0.077 1.744 1.00 0.00 C ATOM 1605 CG LYS A 98 6.424 0.679 0.453 1.00 0.00 C ATOM 1606 CD LYS A 98 7.820 1.279 0.436 1.00 0.00 C ATOM 1607 CE LYS A 98 8.822 0.340 -0.217 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.964 1.079 -0.824 1.00 0.00 N ATOM 0 H LYS A 98 5.184 -2.193 3.201 1.00 0.00 H new ATOM 0 HA LYS A 98 4.022 0.137 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.311 0.597 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.890 -0.880 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.306 0.005 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.685 1.471 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.803 2.227 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.136 1.497 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.199 -0.363 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.321 -0.248 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.624 0.402 -1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.608 1.731 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.459 1.620 -0.086 1.00 0.00 H new ATOM 1622 N ALA A 99 3.644 -1.224 -0.267 1.00 0.00 N ATOM 1623 CA ALA A 99 3.338 -2.060 -1.424 1.00 0.00 C ATOM 1624 C ALA A 99 3.448 -1.283 -2.737 1.00 0.00 C ATOM 1625 O ALA A 99 2.895 -0.190 -2.871 1.00 0.00 O ATOM 1626 CB ALA A 99 1.945 -2.657 -1.282 1.00 0.00 C ATOM 0 H ALA A 99 3.140 -0.338 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 99 4.076 -2.862 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.726 -3.279 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.900 -3.265 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.210 -1.855 -1.216 1.00 0.00 H new ATOM 1632 N PRO A 100 4.163 -1.849 -3.731 1.00 0.00 N ATOM 1633 CA PRO A 100 4.346 -1.228 -5.038 1.00 0.00 C ATOM 1634 C PRO A 100 3.271 -1.670 -6.028 1.00 0.00 C ATOM 1635 O PRO A 100 3.131 -2.861 -6.306 1.00 0.00 O ATOM 1636 CB PRO A 100 5.706 -1.778 -5.454 1.00 0.00 C ATOM 1637 CG PRO A 100 5.717 -3.168 -4.908 1.00 0.00 C ATOM 1638 CD PRO A 100 4.859 -3.151 -3.663 1.00 0.00 C ATOM 0 HA PRO A 100 4.283 -0.140 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.823 -1.774 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.520 -1.181 -5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.324 -3.874 -5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.734 -3.484 -4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.153 -3.982 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.463 -3.235 -2.760 1.00 0.00 H new ATOM 1646 N MET A 101 2.510 -0.717 -6.559 1.00 0.00 N ATOM 1647 CA MET A 101 1.455 -1.045 -7.510 1.00 0.00 C ATOM 1648 C MET A 101 1.225 0.096 -8.491 1.00 0.00 C ATOM 1649 O MET A 101 1.742 1.199 -8.310 1.00 0.00 O ATOM 1650 CB MET A 101 0.154 -1.378 -6.773 1.00 0.00 C ATOM 1651 CG MET A 101 -0.478 -0.190 -6.066 1.00 0.00 C ATOM 1652 SD MET A 101 -2.236 -0.434 -5.744 1.00 0.00 S ATOM 1653 CE MET A 101 -2.576 0.931 -4.634 1.00 0.00 C ATOM 0 H MET A 101 2.603 0.277 -6.350 1.00 0.00 H new ATOM 0 HA MET A 101 1.775 -1.920 -8.075 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.562 -1.786 -7.487 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.354 -2.160 -6.040 1.00 0.00 H new ATOM 0 HG2 MET A 101 0.040 -0.015 -5.123 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.344 0.704 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.221 0.590 -3.824 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.640 1.305 -4.219 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.074 1.730 -5.182 1.00 0.00 H new ATOM 1663 N ILE A 102 0.444 -0.175 -9.531 1.00 0.00 N ATOM 1664 CA ILE A 102 0.144 0.831 -10.537 1.00 0.00 C ATOM 1665 C ILE A 102 -1.186 1.516 -10.252 1.00 0.00 C ATOM 1666 O ILE A 102 -2.230 0.869 -10.170 1.00 0.00 O ATOM 1667 CB ILE A 102 0.100 0.228 -11.959 1.00 0.00 C ATOM 1668 CG1 ILE A 102 1.497 -0.240 -12.384 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.465 1.237 -12.961 1.00 0.00 C ATOM 1670 CD1 ILE A 102 2.396 0.875 -12.878 1.00 0.00 C ATOM 0 H ILE A 102 0.009 -1.082 -9.697 1.00 0.00 H new ATOM 0 HA ILE A 102 0.950 1.564 -10.489 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.563 -0.637 -11.945 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.977 -0.732 -11.538 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.395 -0.987 -13.172 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.486 0.790 -13.955 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.477 1.515 -12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.165 2.126 -12.977 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.365 0.463 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.940 1.353 -13.745 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.531 1.612 -12.086 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.136 2.834 -10.138 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.328 3.630 -9.905 1.00 0.00 C ATOM 1684 C LEU A 103 -2.925 4.022 -11.244 1.00 0.00 C ATOM 1685 O LEU A 103 -2.202 4.112 -12.228 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.007 4.874 -9.077 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.128 4.691 -7.563 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -1.702 5.957 -6.836 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -3.553 4.313 -7.187 1.00 0.00 C ATOM 0 H LEU A 103 -0.275 3.377 -10.204 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.048 3.038 -9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.991 5.195 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.674 5.679 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.464 3.882 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.795 5.808 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.665 6.187 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.340 6.785 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.623 4.186 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.235 5.102 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.824 3.379 -7.680 1.00 0.00 H new ATOM 1701 N ASN A 104 -4.243 4.220 -11.274 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.977 4.586 -12.498 1.00 0.00 C ATOM 1703 C ASN A 104 -4.082 4.677 -13.740 1.00 0.00 C ATOM 1704 O ASN A 104 -4.326 4.001 -14.739 1.00 0.00 O ATOM 1705 CB ASN A 104 -5.672 5.928 -12.280 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.996 5.784 -11.554 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -7.682 4.770 -11.686 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -7.361 6.800 -10.781 1.00 0.00 N ATOM 0 H ASN A 104 -4.839 4.132 -10.451 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.699 3.791 -12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.017 6.584 -11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.840 6.408 -13.244 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.241 6.759 -10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.761 7.621 -10.701 1.00 0.00 H new ATOM 1715 N GLY A 105 -3.045 5.507 -13.670 1.00 0.00 N ATOM 1716 CA GLY A 105 -2.134 5.657 -14.790 1.00 0.00 C ATOM 1717 C GLY A 105 -0.768 6.154 -14.357 1.00 0.00 C ATOM 1718 O GLY A 105 -0.157 6.981 -15.035 1.00 0.00 O ATOM 0 H GLY A 105 -2.820 6.079 -12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.025 4.699 -15.298 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.560 6.354 -15.512 1.00 0.00 H new ATOM 1722 N VAL A 106 -0.294 5.655 -13.218 1.00 0.00 N ATOM 1723 CA VAL A 106 0.998 6.057 -12.684 1.00 0.00 C ATOM 1724 C VAL A 106 1.554 5.003 -11.730 1.00 0.00 C ATOM 1725 O VAL A 106 0.837 4.492 -10.872 1.00 0.00 O ATOM 1726 CB VAL A 106 0.884 7.396 -11.928 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.186 7.736 -11.221 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.471 8.511 -12.875 1.00 0.00 C ATOM 0 H VAL A 106 -0.790 4.970 -12.648 1.00 0.00 H new ATOM 0 HA VAL A 106 1.675 6.168 -13.531 1.00 0.00 H new ATOM 0 HB VAL A 106 0.111 7.292 -11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.078 8.685 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.427 6.950 -10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.988 7.817 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.396 9.448 -12.323 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.216 8.613 -13.664 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.496 8.272 -13.318 1.00 0.00 H new ATOM 1738 N CYS A 107 2.841 4.701 -11.866 1.00 0.00 N ATOM 1739 CA CYS A 107 3.488 3.731 -10.990 1.00 0.00 C ATOM 1740 C CYS A 107 3.755 4.379 -9.639 1.00 0.00 C ATOM 1741 O CYS A 107 4.438 5.401 -9.561 1.00 0.00 O ATOM 1742 CB CYS A 107 4.797 3.234 -11.608 1.00 0.00 C ATOM 1743 SG CYS A 107 5.386 1.666 -10.927 1.00 0.00 S ATOM 0 H CYS A 107 3.454 5.111 -12.571 1.00 0.00 H new ATOM 0 HA CYS A 107 2.830 2.872 -10.859 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.659 3.122 -12.683 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.566 3.993 -11.463 1.00 0.00 H new ATOM 0 HG CYS A 107 6.496 1.328 -11.514 1.00 0.00 H new ATOM 1749 N VAL A 108 3.196 3.811 -8.574 1.00 0.00 N ATOM 1750 CA VAL A 108 3.372 4.386 -7.251 1.00 0.00 C ATOM 1751 C VAL A 108 3.579 3.325 -6.179 1.00 0.00 C ATOM 1752 O VAL A 108 3.426 2.128 -6.424 1.00 0.00 O ATOM 1753 CB VAL A 108 2.163 5.259 -6.866 1.00 0.00 C ATOM 1754 CG1 VAL A 108 2.011 6.417 -7.840 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.893 4.423 -6.824 1.00 0.00 C ATOM 0 H VAL A 108 2.626 2.966 -8.603 1.00 0.00 H new ATOM 0 HA VAL A 108 4.271 5.000 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 108 2.336 5.668 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.152 7.023 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.912 7.031 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.860 6.028 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.049 5.056 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.714 3.984 -7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.005 3.629 -6.086 1.00 0.00 H new ATOM 1765 N ILE A 109 3.926 3.791 -4.987 1.00 0.00 N ATOM 1766 CA ILE A 109 4.162 2.922 -3.846 1.00 0.00 C ATOM 1767 C ILE A 109 3.405 3.433 -2.629 1.00 0.00 C ATOM 1768 O ILE A 109 3.756 4.467 -2.060 1.00 0.00 O ATOM 1769 CB ILE A 109 5.659 2.851 -3.500 1.00 0.00 C ATOM 1770 CG1 ILE A 109 6.493 2.631 -4.763 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.916 1.746 -2.487 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.981 2.557 -4.500 1.00 0.00 C ATOM 0 H ILE A 109 4.051 4.783 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 109 3.810 1.926 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 109 5.958 3.801 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.171 1.708 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.296 3.442 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.980 1.708 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.350 1.948 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.602 0.789 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.509 2.400 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.317 3.489 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.190 1.728 -3.823 1.00 0.00 H new ATOM 1784 N TRP A 110 2.366 2.712 -2.233 1.00 0.00 N ATOM 1785 CA TRP A 110 1.567 3.112 -1.083 1.00 0.00 C ATOM 1786 C TRP A 110 2.055 2.424 0.185 1.00 0.00 C ATOM 1787 O TRP A 110 2.303 1.218 0.197 1.00 0.00 O ATOM 1788 CB TRP A 110 0.092 2.788 -1.323 1.00 0.00 C ATOM 1789 CG TRP A 110 -0.780 3.068 -0.137 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.536 4.184 0.084 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -0.980 2.216 0.995 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.193 4.079 1.286 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -1.868 2.878 1.865 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.493 0.958 1.359 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.278 2.320 3.075 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.901 0.407 2.556 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.786 1.085 3.402 1.00 0.00 C ATOM 0 H TRP A 110 2.058 1.852 -2.687 1.00 0.00 H new ATOM 0 HA TRP A 110 1.677 4.189 -0.952 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.266 3.369 -2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.002 1.736 -1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -1.607 5.026 -0.588 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.820 4.779 1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.191 0.426 0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -2.959 2.843 3.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.531 -0.565 2.846 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.087 0.625 4.332 1.00 0.00 H new ATOM 1808 N LYS A 111 2.187 3.201 1.255 1.00 0.00 N ATOM 1809 CA LYS A 111 2.641 2.670 2.532 1.00 0.00 C ATOM 1810 C LYS A 111 1.996 3.423 3.689 1.00 0.00 C ATOM 1811 O LYS A 111 1.563 4.565 3.536 1.00 0.00 O ATOM 1812 CB LYS A 111 4.164 2.755 2.637 1.00 0.00 C ATOM 1813 CG LYS A 111 4.694 4.180 2.639 1.00 0.00 C ATOM 1814 CD LYS A 111 4.840 4.719 1.226 1.00 0.00 C ATOM 1815 CE LYS A 111 6.275 4.619 0.735 1.00 0.00 C ATOM 1816 NZ LYS A 111 7.238 5.201 1.710 1.00 0.00 N ATOM 0 H LYS A 111 1.986 4.201 1.262 1.00 0.00 H new ATOM 0 HA LYS A 111 2.342 1.623 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.486 2.255 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.608 2.212 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.018 4.820 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.660 4.210 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.185 4.163 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.517 5.760 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.526 3.573 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 111 6.369 5.136 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 8.069 5.565 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.781 5.979 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 7.538 4.467 2.383 1.00 0.00 H new ATOM 1830 N GLY A 112 1.935 2.776 4.846 1.00 0.00 N ATOM 1831 CA GLY A 112 1.340 3.402 6.013 1.00 0.00 C ATOM 1832 C GLY A 112 1.155 2.429 7.158 1.00 0.00 C ATOM 1833 O GLY A 112 1.209 1.215 6.961 1.00 0.00 O ATOM 0 H GLY A 112 2.286 1.830 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.971 4.228 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.374 3.827 5.741 1.00 0.00 H new ATOM 1837 N TRP A 113 0.938 2.958 8.359 1.00 0.00 N ATOM 1838 CA TRP A 113 0.747 2.112 9.531 1.00 0.00 C ATOM 1839 C TRP A 113 -0.665 2.228 10.083 1.00 0.00 C ATOM 1840 O TRP A 113 -1.310 3.270 9.973 1.00 0.00 O ATOM 1841 CB TRP A 113 1.756 2.459 10.630 1.00 0.00 C ATOM 1842 CG TRP A 113 1.670 3.875 11.111 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.540 4.889 10.831 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.667 4.430 11.970 1.00 0.00 C ATOM 1845 NE1 TRP A 113 2.134 6.045 11.455 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.987 5.789 12.161 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.471 3.914 12.593 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.210 6.634 12.949 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.241 4.753 13.375 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.899 6.100 13.546 1.00 0.00 C ATOM 0 H TRP A 113 0.890 3.960 8.545 1.00 0.00 H new ATOM 0 HA TRP A 113 0.909 1.083 9.209 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.601 1.789 11.476 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.763 2.274 10.256 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.419 4.797 10.210 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.609 6.946 11.401 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.745 2.877 12.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.473 7.673 13.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.122 4.363 13.863 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.523 6.730 14.162 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.125 1.147 10.700 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.448 1.107 11.307 1.00 0.00 C ATOM 1863 C ILE A 114 -2.311 0.744 12.776 1.00 0.00 C ATOM 1864 O ILE A 114 -1.389 0.022 13.154 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.399 0.089 10.620 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.649 -0.798 9.615 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.549 0.814 9.938 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.160 -0.056 8.389 1.00 0.00 C ATOM 0 H ILE A 114 -0.596 0.280 10.793 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.889 2.096 11.184 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.803 -0.562 11.395 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.796 -1.256 10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.306 -1.609 9.299 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.206 0.087 9.461 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.112 1.381 10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.154 1.495 9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.641 -0.749 7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.010 0.379 7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.477 0.737 8.692 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.221 1.235 13.605 1.00 0.00 N ATOM 1881 CA ASP A 115 -3.159 0.939 15.026 1.00 0.00 C ATOM 1882 C ASP A 115 -3.857 -0.386 15.313 1.00 0.00 C ATOM 1883 O ASP A 115 -4.921 -0.675 14.765 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.768 2.086 15.844 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.250 1.919 16.091 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.608 1.206 17.050 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -6.049 2.503 15.331 1.00 0.00 O ATOM 0 H ASP A 115 -3.999 1.831 13.323 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.115 0.843 15.325 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.252 2.155 16.802 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.597 3.027 15.321 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.222 -1.202 16.143 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.735 -2.525 16.479 1.00 0.00 C ATOM 1894 C LEU A 116 -4.946 -2.490 17.414 1.00 0.00 C ATOM 1895 O LEU A 116 -5.359 -3.533 17.922 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.617 -3.359 17.103 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.267 -3.260 16.383 1.00 0.00 C ATOM 1898 CD1 LEU A 116 -0.134 -3.059 17.380 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.022 -4.500 15.533 1.00 0.00 C ATOM 0 H LEU A 116 -2.341 -0.968 16.601 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.079 -2.978 15.549 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.485 -3.048 18.139 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.928 -4.404 17.121 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.295 -2.392 15.724 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.813 -2.992 16.845 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.301 -2.139 17.940 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.102 -3.902 18.070 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.059 -4.412 15.030 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.018 -5.384 16.171 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.813 -4.593 14.789 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.528 -1.314 17.642 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.694 -1.221 18.517 1.00 0.00 C ATOM 1913 C HIS A 117 -7.943 -0.849 17.720 1.00 0.00 C ATOM 1914 O HIS A 117 -8.872 -1.647 17.588 1.00 0.00 O ATOM 1915 CB HIS A 117 -6.448 -0.187 19.618 1.00 0.00 C ATOM 1916 CG HIS A 117 -7.627 0.027 20.516 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -8.787 0.694 20.310 1.00 0.00 N flip ATOM 1918 CD2 HIS A 117 -7.698 -0.475 21.799 1.00 0.00 C flip ATOM 1919 CE1 HIS A 117 -9.528 0.583 21.461 1.00 0.00 C flip ATOM 1920 NE2 HIS A 117 -8.850 -0.127 22.342 1.00 0.00 N flip ATOM 0 H HIS A 117 -5.219 -0.428 17.242 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.855 -2.197 18.975 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.597 -0.506 20.220 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.175 0.763 19.158 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -6.931 -1.061 22.284 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -10.508 1.008 21.619 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.163 -0.366 23.283 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.945 0.362 17.182 1.00 0.00 N ATOM 1930 CA ARG A 118 -9.067 0.851 16.381 1.00 0.00 C ATOM 1931 C ARG A 118 -8.886 0.511 14.902 1.00 0.00 C ATOM 1932 O ARG A 118 -9.837 0.586 14.124 1.00 0.00 O ATOM 1933 CB ARG A 118 -9.267 2.371 16.543 1.00 0.00 C ATOM 1934 CG ARG A 118 -8.234 3.072 17.417 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.259 4.576 17.195 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.193 5.259 17.926 1.00 0.00 N ATOM 1937 CZ ARG A 118 -7.318 5.717 19.170 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -8.456 5.558 19.836 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -6.299 6.333 19.753 1.00 0.00 N ATOM 0 H ARG A 118 -7.180 1.029 17.284 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.958 0.345 16.752 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.255 2.830 15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -10.256 2.548 16.965 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.432 2.853 18.466 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.240 2.685 17.193 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.160 4.786 16.130 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.225 4.972 17.509 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.299 5.393 17.454 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.243 5.082 19.395 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -8.543 5.912 20.789 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.421 6.455 19.249 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.393 6.684 20.706 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.658 0.160 14.513 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.350 -0.167 13.119 1.00 0.00 C ATOM 1955 C LEU A 119 -7.254 1.101 12.279 1.00 0.00 C ATOM 1956 O LEU A 119 -7.444 1.082 11.061 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.401 -1.103 12.532 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.769 -2.299 13.415 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.581 -3.313 12.626 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.515 -2.945 13.988 1.00 0.00 C ATOM 0 H LEU A 119 -6.860 0.095 15.145 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.386 -0.676 13.101 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.305 -0.528 12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.039 -1.476 11.574 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.379 -1.941 14.244 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.834 -4.156 13.269 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.497 -2.844 12.265 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.996 -3.667 11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.796 -3.793 14.613 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.878 -3.290 13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.972 -2.216 14.589 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.955 2.201 12.949 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.816 3.495 12.296 1.00 0.00 C ATOM 1974 C ASP A 120 -5.385 4.005 12.434 1.00 0.00 C ATOM 1975 O ASP A 120 -4.762 3.844 13.484 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.795 4.504 12.904 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.586 5.254 11.851 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -8.014 6.165 11.217 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.777 4.932 11.663 1.00 0.00 O ATOM 0 H ASP A 120 -6.802 2.224 13.957 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.046 3.377 11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.484 3.982 13.568 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.243 5.218 13.515 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.862 4.611 11.373 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.505 5.122 11.415 1.00 0.00 C ATOM 1986 C GLY A 121 -3.238 6.177 10.361 1.00 0.00 C ATOM 1987 O GLY A 121 -4.083 7.034 10.103 1.00 0.00 O ATOM 0 H GLY A 121 -5.351 4.757 10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.312 5.544 12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.807 4.296 11.280 1.00 0.00 H new ATOM 1991 N MET A 122 -2.055 6.121 9.757 1.00 0.00 N ATOM 1992 CA MET A 122 -1.674 7.083 8.731 1.00 0.00 C ATOM 1993 C MET A 122 -1.043 6.387 7.528 1.00 0.00 C ATOM 1994 O MET A 122 -0.376 5.362 7.670 1.00 0.00 O ATOM 1995 CB MET A 122 -0.695 8.112 9.303 1.00 0.00 C ATOM 1996 CG MET A 122 -1.083 8.630 10.678 1.00 0.00 C ATOM 1997 SD MET A 122 -2.137 10.090 10.599 1.00 0.00 S ATOM 1998 CE MET A 122 -0.962 11.375 11.016 1.00 0.00 C ATOM 0 H MET A 122 -1.344 5.419 9.961 1.00 0.00 H new ATOM 0 HA MET A 122 -2.580 7.591 8.400 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.297 7.663 9.361 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.624 8.954 8.615 1.00 0.00 H new ATOM 0 HG2 MET A 122 -1.601 7.842 11.226 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.180 8.869 11.240 1.00 0.00 H new ATOM 0 HE1 MET A 122 -1.464 12.343 11.009 1.00 0.00 H new ATOM 0 HE2 MET A 122 -0.552 11.185 12.008 1.00 0.00 H new ATOM 0 HE3 MET A 122 -0.154 11.380 10.285 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.256 6.955 6.347 1.00 0.00 N ATOM 2009 CA GLY A 123 -0.699 6.386 5.133 1.00 0.00 C ATOM 2010 C GLY A 123 -0.116 7.446 4.223 1.00 0.00 C ATOM 2011 O GLY A 123 -0.134 8.632 4.554 1.00 0.00 O ATOM 0 H GLY A 123 -1.806 7.802 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.077 5.666 5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.476 5.839 4.600 1.00 0.00 H new ATOM 2015 N CYS A 124 0.405 7.027 3.074 1.00 0.00 N ATOM 2016 CA CYS A 124 0.994 7.967 2.128 1.00 0.00 C ATOM 2017 C CYS A 124 1.390 7.285 0.822 1.00 0.00 C ATOM 2018 O CYS A 124 1.844 6.141 0.817 1.00 0.00 O ATOM 2019 CB CYS A 124 2.219 8.640 2.752 1.00 0.00 C ATOM 2020 SG CYS A 124 3.608 7.521 3.050 1.00 0.00 S ATOM 0 H CYS A 124 0.431 6.051 2.778 1.00 0.00 H new ATOM 0 HA CYS A 124 0.239 8.718 1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.550 9.446 2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.926 9.098 3.697 1.00 0.00 H new ATOM 0 HG CYS A 124 4.594 8.184 3.577 1.00 0.00 H new ATOM 2026 N LEU A 125 1.226 8.007 -0.283 1.00 0.00 N ATOM 2027 CA LEU A 125 1.581 7.492 -1.602 1.00 0.00 C ATOM 2028 C LEU A 125 2.943 8.046 -2.026 1.00 0.00 C ATOM 2029 O LEU A 125 3.302 9.161 -1.655 1.00 0.00 O ATOM 2030 CB LEU A 125 0.507 7.872 -2.629 1.00 0.00 C ATOM 2031 CG LEU A 125 -0.725 6.963 -2.659 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -1.828 7.582 -3.510 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.357 5.587 -3.188 1.00 0.00 C ATOM 0 H LEU A 125 0.848 8.954 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 125 1.641 6.405 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.180 8.892 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.961 7.873 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.096 6.855 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.695 6.921 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.112 8.547 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.467 7.721 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.244 4.954 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.039 5.680 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.398 5.139 -2.542 1.00 0.00 H new ATOM 2045 N GLU A 126 3.705 7.270 -2.791 1.00 0.00 N ATOM 2046 CA GLU A 126 5.020 7.714 -3.239 1.00 0.00 C ATOM 2047 C GLU A 126 5.391 7.081 -4.576 1.00 0.00 C ATOM 2048 O GLU A 126 5.545 5.867 -4.676 1.00 0.00 O ATOM 2049 CB GLU A 126 6.080 7.374 -2.188 1.00 0.00 C ATOM 2050 CG GLU A 126 6.698 8.597 -1.531 1.00 0.00 C ATOM 2051 CD GLU A 126 8.190 8.702 -1.777 1.00 0.00 C ATOM 2052 OE1 GLU A 126 8.853 7.647 -1.860 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.696 9.839 -1.886 1.00 0.00 O ATOM 0 H GLU A 126 3.438 6.339 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 126 4.981 8.795 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.629 6.747 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.869 6.786 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.208 9.494 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.513 8.560 -0.458 1.00 0.00 H new ATOM 2060 N PHE A 127 5.541 7.914 -5.596 1.00 0.00 N ATOM 2061 CA PHE A 127 5.895 7.463 -6.921 1.00 0.00 C ATOM 2062 C PHE A 127 7.024 6.441 -6.923 1.00 0.00 C ATOM 2063 O PHE A 127 7.823 6.364 -5.990 1.00 0.00 O ATOM 2064 CB PHE A 127 6.326 8.663 -7.741 1.00 0.00 C ATOM 2065 CG PHE A 127 6.329 8.385 -9.196 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.430 7.819 -9.798 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.224 8.681 -9.949 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.432 7.550 -11.149 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.209 8.419 -11.307 1.00 0.00 C ATOM 2070 CZ PHE A 127 6.319 7.851 -11.908 1.00 0.00 C ATOM 0 H PHE A 127 5.419 8.924 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 127 5.016 6.976 -7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 127 5.657 9.499 -7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.325 8.971 -7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.301 7.583 -9.205 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.358 9.122 -9.479 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.300 7.106 -11.612 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.335 8.656 -11.896 1.00 0.00 H new ATOM 0 HZ PHE A 127 6.314 7.644 -12.968 1.00 0.00 H new ATOM 2080 N ASP A 128 7.094 5.687 -8.014 1.00 0.00 N ATOM 2081 CA ASP A 128 8.135 4.693 -8.205 1.00 0.00 C ATOM 2082 C ASP A 128 8.722 4.848 -9.603 1.00 0.00 C ATOM 2083 O ASP A 128 8.130 4.408 -10.588 1.00 0.00 O ATOM 2084 CB ASP A 128 7.572 3.282 -8.023 1.00 0.00 C ATOM 2085 CG ASP A 128 8.584 2.328 -7.420 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.532 2.806 -6.762 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.428 1.102 -7.603 1.00 0.00 O ATOM 0 H ASP A 128 6.431 5.750 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 128 8.916 4.845 -7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.691 3.325 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.245 2.897 -8.989 1.00 0.00 H new ATOM 2092 N GLU A 129 9.882 5.490 -9.685 1.00 0.00 N ATOM 2093 CA GLU A 129 10.539 5.717 -10.966 1.00 0.00 C ATOM 2094 C GLU A 129 11.464 4.555 -11.331 1.00 0.00 C ATOM 2095 O GLU A 129 12.093 4.564 -12.389 1.00 0.00 O ATOM 2096 CB GLU A 129 11.327 7.031 -10.930 1.00 0.00 C ATOM 2097 CG GLU A 129 10.451 8.276 -10.827 1.00 0.00 C ATOM 2098 CD GLU A 129 11.260 9.558 -10.853 1.00 0.00 C ATOM 2099 OE1 GLU A 129 11.624 10.008 -11.960 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.529 10.113 -9.766 1.00 0.00 O ATOM 0 H GLU A 129 10.386 5.862 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 129 9.767 5.784 -11.733 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.011 7.009 -10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.937 7.102 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.737 8.284 -11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.872 8.234 -9.904 1.00 0.00 H new