USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 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 89 SER OG : rot 70:sc= 1.04 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.142 K(o=0.9,f=-1.3!) USER MOD Set 2.1: A 63 LYS NZ :NH3+ -124:sc= 1.91 (180deg=-0.904) USER MOD Set 2.2: A 73 SER OG : rot 68:sc= 1.59 USER MOD Set 3.1: A 65 LYS NZ :NH3+ 175:sc= 0.627 (180deg=0.448) USER MOD Set 3.2: A 66 TYR OH : rot -42:sc= 0.483 USER MOD Set 4.1: A 38 ASN : amide:sc= 1.93 K(o=3.1,f=-4.1!) USER MOD Set 4.2: A 42 SER OG : rot -142:sc= 1.16 USER MOD Set 5.1: A 22 TYR OH : rot 30:sc= 1.04 USER MOD Set 5.2: A 104 LYS NZ :NH3+ 154:sc= 1.75 (180deg=1.21) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -0.223 (180deg=-0.223) USER MOD Single : A 9 HIS : no HD1:sc= -0.63 K(o=-0.63,f=-0.07) USER MOD Single : A 13 GLN : amide:sc= -0.813 K(o=-0.81,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 62:sc= -0.703 USER MOD Single : A 20 SER OG : rot 66:sc= 1.15 USER MOD Single : A 28 THR OG1 : rot 89:sc= -3.36! USER MOD Single : A 41 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= -0.953 K(o=-0.95,f=-10!) USER MOD Single : A 47 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.17 K(o=1.2,f=-0.07) USER MOD Single : A 54 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-2.2!) USER MOD Single : A 57 SER OG : rot -66:sc= 0.776 USER MOD Single : A 60 MET CE :methyl -106:sc= -1.88 (180deg=-4.25!) USER MOD Single : A 61 SER OG : rot 91:sc= 1.28 USER MOD Single : A 79 TYR OH : rot -39:sc= -0.759! USER MOD Single : A 83 THR OG1 : rot 94:sc= 0.334! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 88 SER OG : rot 80:sc= 1.25 USER MOD Single : A 90 TYR OH : rot 22:sc= 1.24 USER MOD Single : A 98 GLN : amide:sc= -1 K(o=-1,f=-1.7!) USER MOD Single : A 101 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.4!) USER MOD Single : A 102 LYS NZ :NH3+ -144:sc= -0.493 (180deg=-1.43!) USER MOD Single : A 103 THR OG1 : rot 145:sc= 1.09 USER MOD Single : A 112 SER OG : rot 92:sc= 1.25 USER MOD Single : A 115 TYR OH : rot -89:sc= -0.947 USER MOD Single : A 117 SER OG : rot 180:sc= -2.16! USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -8.901 -15.632 -3.763 1.00 0.00 N ATOM 92 CA LYS A 7 -7.532 -15.206 -4.150 1.00 0.00 C ATOM 93 C LYS A 7 -7.514 -14.102 -5.212 1.00 0.00 C ATOM 94 O LYS A 7 -6.965 -13.042 -4.985 1.00 0.00 O ATOM 95 CB LYS A 7 -6.655 -16.397 -4.597 1.00 0.00 C ATOM 96 CG LYS A 7 -7.329 -17.399 -5.538 1.00 0.00 C ATOM 97 CD LYS A 7 -6.667 -18.776 -5.432 1.00 0.00 C ATOM 98 CE LYS A 7 -7.459 -19.887 -6.148 1.00 0.00 C ATOM 99 NZ LYS A 7 -8.838 -19.483 -6.567 1.00 0.00 N ATOM 0 HA LYS A 7 -7.102 -14.782 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.765 -16.005 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.318 -16.931 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.388 -17.480 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.267 -17.039 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.664 -18.723 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.556 -19.038 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.902 -20.205 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.530 -20.751 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.305 -20.283 -7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.389 -19.207 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.780 -18.678 -7.223 1.00 0.00 H new ATOM 113 N ARG A 8 -8.133 -14.353 -6.363 1.00 0.00 N ATOM 114 CA ARG A 8 -8.166 -13.355 -7.440 1.00 0.00 C ATOM 115 C ARG A 8 -8.818 -12.054 -6.974 1.00 0.00 C ATOM 116 O ARG A 8 -8.288 -10.968 -7.219 1.00 0.00 O ATOM 117 CB ARG A 8 -8.887 -13.899 -8.675 1.00 0.00 C ATOM 118 CG ARG A 8 -8.485 -13.226 -9.972 1.00 0.00 C ATOM 119 CD ARG A 8 -9.152 -13.903 -11.157 1.00 0.00 C ATOM 120 NE ARG A 8 -8.769 -13.294 -12.436 1.00 0.00 N ATOM 121 CZ ARG A 8 -8.830 -13.927 -13.627 1.00 0.00 C ATOM 122 NH1 ARG A 8 -9.246 -15.205 -13.693 1.00 0.00 N ATOM 123 NH2 ARG A 8 -8.484 -13.283 -14.740 1.00 0.00 N ATOM 0 H ARG A 8 -8.614 -15.226 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.133 -13.138 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.690 -14.968 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.962 -13.783 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.765 -12.173 -9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.402 -13.265 -10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.885 -14.960 -11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.234 -13.849 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.435 -12.330 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.516 -15.698 -12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.291 -15.681 -14.594 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.173 -12.313 -14.692 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.530 -13.760 -15.640 1.00 0.00 H new ATOM 137 N HIS A 9 -9.940 -12.178 -6.269 1.00 0.00 N ATOM 138 CA HIS A 9 -10.657 -11.019 -5.730 1.00 0.00 C ATOM 139 C HIS A 9 -9.805 -10.315 -4.681 1.00 0.00 C ATOM 140 O HIS A 9 -9.642 -9.099 -4.718 1.00 0.00 O ATOM 141 CB HIS A 9 -12.006 -11.436 -5.088 1.00 0.00 C ATOM 142 CG HIS A 9 -12.958 -12.171 -5.998 1.00 0.00 C ATOM 143 ND1 HIS A 9 -14.334 -12.068 -5.896 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.731 -13.029 -7.032 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.902 -12.823 -6.825 1.00 0.00 C ATOM 146 NE2 HIS A 9 -13.949 -13.415 -7.524 1.00 0.00 N ATOM 0 H HIS A 9 -10.377 -13.075 -6.055 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.859 -10.343 -6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.798 -12.066 -4.223 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.504 -10.540 -4.717 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.766 -13.347 -7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.964 -12.936 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.097 -14.056 -8.304 1.00 0.00 H new ATOM 155 N ASP A 10 -9.259 -11.102 -3.746 1.00 0.00 N ATOM 156 CA ASP A 10 -8.431 -10.578 -2.660 1.00 0.00 C ATOM 157 C ASP A 10 -7.145 -9.956 -3.193 1.00 0.00 C ATOM 158 O ASP A 10 -6.857 -8.804 -2.898 1.00 0.00 O ATOM 159 CB ASP A 10 -8.182 -11.654 -1.571 1.00 0.00 C ATOM 160 CG ASP A 10 -6.737 -11.972 -1.312 1.00 0.00 C ATOM 161 OD1 ASP A 10 -6.140 -11.308 -0.484 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.236 -12.966 -1.889 1.00 0.00 O ATOM 0 H ASP A 10 -9.380 -12.115 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.979 -9.772 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.637 -11.319 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.694 -12.571 -1.864 1.00 0.00 H new ATOM 167 N VAL A 11 -6.427 -10.678 -4.053 1.00 0.00 N ATOM 168 CA VAL A 11 -5.234 -10.123 -4.691 1.00 0.00 C ATOM 169 C VAL A 11 -5.616 -8.820 -5.428 1.00 0.00 C ATOM 170 O VAL A 11 -4.936 -7.787 -5.279 1.00 0.00 O ATOM 171 CB VAL A 11 -4.570 -11.144 -5.671 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.368 -10.540 -6.380 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.151 -12.411 -4.926 1.00 0.00 C ATOM 0 H VAL A 11 -6.647 -11.637 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.496 -9.904 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.314 -11.401 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.933 -11.279 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.684 -9.669 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.624 -10.238 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.691 -13.109 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.435 -12.154 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.028 -12.875 -4.475 1.00 0.00 H new ATOM 183 N ALA A 12 -6.760 -8.848 -6.153 1.00 0.00 N ATOM 184 CA ALA A 12 -7.282 -7.642 -6.810 1.00 0.00 C ATOM 185 C ALA A 12 -7.515 -6.558 -5.765 1.00 0.00 C ATOM 186 O ALA A 12 -7.016 -5.441 -5.904 1.00 0.00 O ATOM 187 CB ALA A 12 -8.577 -7.933 -7.564 1.00 0.00 C ATOM 0 H ALA A 12 -7.327 -9.684 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.546 -7.300 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.935 -7.019 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.392 -8.689 -8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.330 -8.299 -6.866 1.00 0.00 H new ATOM 193 N GLN A 13 -8.210 -6.922 -4.681 1.00 0.00 N ATOM 194 CA GLN A 13 -8.439 -6.013 -3.555 1.00 0.00 C ATOM 195 C GLN A 13 -7.104 -5.479 -3.029 1.00 0.00 C ATOM 196 O GLN A 13 -6.987 -4.298 -2.751 1.00 0.00 O ATOM 197 CB GLN A 13 -9.198 -6.717 -2.416 1.00 0.00 C ATOM 198 CG GLN A 13 -10.659 -7.019 -2.717 1.00 0.00 C ATOM 199 CD GLN A 13 -11.187 -8.186 -1.902 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.615 -9.199 -2.456 1.00 0.00 O ATOM 201 NE2 GLN A 13 -11.164 -8.062 -0.583 1.00 0.00 N ATOM 0 H GLN A 13 -8.625 -7.846 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.048 -5.183 -3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.689 -7.652 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.146 -6.093 -1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.260 -6.134 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.771 -7.240 -3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.802 -7.209 -0.157 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.508 -8.820 0.007 1.00 0.00 H new ATOM 210 N LEU A 14 -6.100 -6.362 -2.920 1.00 0.00 N ATOM 211 CA LEU A 14 -4.762 -5.981 -2.453 1.00 0.00 C ATOM 212 C LEU A 14 -4.209 -4.845 -3.320 1.00 0.00 C ATOM 213 O LEU A 14 -3.923 -3.750 -2.812 1.00 0.00 O ATOM 214 CB LEU A 14 -3.801 -7.198 -2.470 1.00 0.00 C ATOM 215 CG LEU A 14 -2.784 -7.317 -1.310 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.236 -5.958 -0.890 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.395 -8.042 -0.118 1.00 0.00 C ATOM 0 H LEU A 14 -6.193 -7.351 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.841 -5.632 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.406 -8.105 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.243 -7.174 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.946 -7.908 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.526 -6.089 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.733 -5.491 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.057 -5.321 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.658 -8.111 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.265 -7.490 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.699 -9.044 -0.419 1.00 0.00 H new ATOM 229 N LYS A 15 -4.105 -5.090 -4.641 1.00 0.00 N ATOM 230 CA LYS A 15 -3.633 -4.044 -5.564 1.00 0.00 C ATOM 231 C LYS A 15 -4.580 -2.833 -5.541 1.00 0.00 C ATOM 232 O LYS A 15 -4.126 -1.690 -5.451 1.00 0.00 O ATOM 233 CB LYS A 15 -3.398 -4.564 -7.013 1.00 0.00 C ATOM 234 CG LYS A 15 -4.528 -5.421 -7.612 1.00 0.00 C ATOM 235 CD LYS A 15 -4.013 -6.401 -8.678 1.00 0.00 C ATOM 236 CE LYS A 15 -4.343 -5.928 -10.105 1.00 0.00 C ATOM 237 NZ LYS A 15 -3.302 -5.017 -10.663 1.00 0.00 N ATOM 0 H LYS A 15 -4.335 -5.980 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.655 -3.725 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.235 -3.705 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.479 -5.150 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.019 -5.979 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.281 -4.768 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.934 -6.515 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.455 -7.383 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.448 -6.796 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.305 -5.415 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.573 -4.728 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.218 -4.174 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.388 -5.512 -10.695 1.00 0.00 H new ATOM 251 N PHE A 16 -5.899 -3.097 -5.536 1.00 0.00 N ATOM 252 CA PHE A 16 -6.916 -2.032 -5.430 1.00 0.00 C ATOM 253 C PHE A 16 -6.659 -1.175 -4.177 1.00 0.00 C ATOM 254 O PHE A 16 -6.669 0.061 -4.247 1.00 0.00 O ATOM 255 CB PHE A 16 -8.353 -2.633 -5.415 1.00 0.00 C ATOM 256 CG PHE A 16 -9.337 -1.918 -4.515 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.964 -0.758 -4.932 1.00 0.00 C ATOM 258 CD2 PHE A 16 -9.620 -2.407 -3.251 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.854 -0.101 -4.109 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.509 -1.755 -2.424 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.127 -0.599 -2.853 1.00 0.00 C ATOM 0 H PHE A 16 -6.287 -4.038 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.838 -1.390 -6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.744 -2.627 -6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.291 -3.676 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.754 -0.362 -5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.138 -3.311 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -11.337 0.803 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.722 -2.149 -1.441 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.823 -0.085 -2.206 1.00 0.00 H new ATOM 271 N LEU A 17 -6.415 -1.835 -3.039 1.00 0.00 N ATOM 272 CA LEU A 17 -6.108 -1.139 -1.785 1.00 0.00 C ATOM 273 C LEU A 17 -4.900 -0.239 -1.996 1.00 0.00 C ATOM 274 O LEU A 17 -4.926 0.947 -1.638 1.00 0.00 O ATOM 275 CB LEU A 17 -5.826 -2.144 -0.642 1.00 0.00 C ATOM 276 CG LEU A 17 -6.908 -2.271 0.448 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.365 -0.904 0.940 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.093 -3.077 -0.054 1.00 0.00 C ATOM 0 H LEU A 17 -6.424 -2.852 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.972 -0.540 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.671 -3.128 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.890 -1.859 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.462 -2.800 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.128 -1.030 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.515 -0.365 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.779 -0.337 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.842 -3.152 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.528 -2.582 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.761 -4.076 -0.335 1.00 0.00 H new ATOM 290 N CYS A 18 -3.860 -0.791 -2.649 1.00 0.00 N ATOM 291 CA CYS A 18 -2.664 -0.024 -2.989 1.00 0.00 C ATOM 292 C CYS A 18 -3.050 1.168 -3.857 1.00 0.00 C ATOM 293 O CYS A 18 -2.768 2.302 -3.496 1.00 0.00 O ATOM 294 CB CYS A 18 -1.621 -0.898 -3.707 1.00 0.00 C ATOM 295 SG CYS A 18 -1.175 -2.412 -2.821 1.00 0.00 S ATOM 0 H CYS A 18 -3.831 -1.766 -2.948 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.211 0.334 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.006 -1.167 -4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.719 -0.307 -3.868 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.227 -3.165 -2.692 1.00 0.00 H new ATOM 301 N GLU A 19 -3.754 0.902 -4.969 1.00 0.00 N ATOM 302 CA GLU A 19 -4.247 1.966 -5.863 1.00 0.00 C ATOM 303 C GLU A 19 -5.038 3.020 -5.074 1.00 0.00 C ATOM 304 O GLU A 19 -4.833 4.228 -5.253 1.00 0.00 O ATOM 305 CB GLU A 19 -5.130 1.375 -6.965 1.00 0.00 C ATOM 306 CG GLU A 19 -4.356 0.646 -8.060 1.00 0.00 C ATOM 307 CD GLU A 19 -4.896 0.917 -9.428 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.142 2.079 -9.755 1.00 0.00 O ATOM 309 OE2 GLU A 19 -5.049 -0.026 -10.191 1.00 0.00 O ATOM 0 H GLU A 19 -3.996 -0.042 -5.272 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.382 2.447 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.840 0.682 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.712 2.177 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.309 0.947 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.386 -0.427 -7.868 1.00 0.00 H new ATOM 316 N SER A 20 -5.933 2.556 -4.208 1.00 0.00 N ATOM 317 CA SER A 20 -6.746 3.438 -3.373 1.00 0.00 C ATOM 318 C SER A 20 -5.862 4.275 -2.452 1.00 0.00 C ATOM 319 O SER A 20 -5.912 5.511 -2.487 1.00 0.00 O ATOM 320 CB SER A 20 -7.752 2.615 -2.562 1.00 0.00 C ATOM 321 OG SER A 20 -8.576 1.831 -3.431 1.00 0.00 O ATOM 0 H SER A 20 -6.116 1.563 -4.064 1.00 0.00 H new ATOM 0 HA SER A 20 -7.297 4.120 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.222 1.963 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.375 3.279 -1.962 1.00 0.00 H new ATOM 0 HG SER A 20 -8.027 1.157 -3.882 1.00 0.00 H new ATOM 327 N LEU A 21 -5.001 3.605 -1.674 1.00 0.00 N ATOM 328 CA LEU A 21 -4.070 4.309 -0.789 1.00 0.00 C ATOM 329 C LEU A 21 -3.172 5.234 -1.588 1.00 0.00 C ATOM 330 O LEU A 21 -2.942 6.364 -1.188 1.00 0.00 O ATOM 331 CB LEU A 21 -3.247 3.337 0.056 1.00 0.00 C ATOM 332 CG LEU A 21 -2.287 3.979 1.068 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.750 3.731 2.491 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.871 3.466 0.861 1.00 0.00 C ATOM 0 H LEU A 21 -4.931 2.588 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.660 4.913 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.933 2.685 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.667 2.703 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.288 5.056 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.052 4.196 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.742 4.160 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.789 2.658 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.205 3.932 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.853 2.384 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.538 3.713 -0.147 1.00 0.00 H new ATOM 346 N TYR A 22 -2.713 4.763 -2.732 1.00 0.00 N ATOM 347 CA TYR A 22 -1.912 5.563 -3.647 1.00 0.00 C ATOM 348 C TYR A 22 -2.640 6.875 -3.941 1.00 0.00 C ATOM 349 O TYR A 22 -2.053 7.962 -3.845 1.00 0.00 O ATOM 350 CB TYR A 22 -1.714 4.779 -4.956 1.00 0.00 C ATOM 351 CG TYR A 22 -0.760 5.385 -5.959 1.00 0.00 C ATOM 352 CD1 TYR A 22 -0.874 6.709 -6.377 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.238 4.619 -6.512 1.00 0.00 C ATOM 354 CE1 TYR A 22 -0.016 7.234 -7.302 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.096 5.141 -7.440 1.00 0.00 C ATOM 356 CZ TYR A 22 0.965 6.445 -7.832 1.00 0.00 C ATOM 357 OH TYR A 22 1.845 6.966 -8.761 1.00 0.00 O ATOM 0 H TYR A 22 -2.884 3.811 -3.057 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.942 5.780 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.359 3.779 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.686 4.661 -5.435 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.654 7.331 -5.963 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.346 3.588 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.113 8.264 -7.611 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.876 4.525 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 22 1.969 7.924 -8.593 1.00 0.00 H new ATOM 367 N ASP A 23 -3.929 6.764 -4.272 1.00 0.00 N ATOM 368 CA ASP A 23 -4.754 7.931 -4.594 1.00 0.00 C ATOM 369 C ASP A 23 -4.866 8.862 -3.401 1.00 0.00 C ATOM 370 O ASP A 23 -4.517 10.055 -3.497 1.00 0.00 O ATOM 371 CB ASP A 23 -6.154 7.504 -5.061 1.00 0.00 C ATOM 372 CG ASP A 23 -7.033 8.668 -5.373 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.816 9.306 -6.407 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.937 8.951 -4.588 1.00 0.00 O ATOM 0 H ASP A 23 -4.425 5.874 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.265 8.466 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.062 6.875 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.622 6.897 -4.286 1.00 0.00 H new ATOM 379 N GLU A 24 -5.321 8.319 -2.274 1.00 0.00 N ATOM 380 CA GLU A 24 -5.448 9.101 -1.040 1.00 0.00 C ATOM 381 C GLU A 24 -4.091 9.700 -0.648 1.00 0.00 C ATOM 382 O GLU A 24 -4.010 10.855 -0.200 1.00 0.00 O ATOM 383 CB GLU A 24 -6.001 8.240 0.118 1.00 0.00 C ATOM 384 CG GLU A 24 -7.175 7.325 -0.259 1.00 0.00 C ATOM 385 CD GLU A 24 -8.532 7.932 -0.028 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.661 9.163 -0.036 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.483 7.171 0.131 1.00 0.00 O ATOM 0 H GLU A 24 -5.608 7.344 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.155 9.909 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.192 7.625 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.319 8.902 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.086 7.054 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.100 6.402 0.316 1.00 0.00 H new ATOM 394 N GLY A 25 -3.035 8.895 -0.791 1.00 0.00 N ATOM 395 CA GLY A 25 -1.699 9.316 -0.450 1.00 0.00 C ATOM 396 C GLY A 25 -1.257 10.495 -1.261 1.00 0.00 C ATOM 397 O GLY A 25 -0.942 11.537 -0.697 1.00 0.00 O ATOM 0 H GLY A 25 -3.095 7.940 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.658 9.569 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.007 8.488 -0.607 1.00 0.00 H new ATOM 401 N ILE A 26 -1.276 10.360 -2.598 1.00 0.00 N ATOM 402 CA ILE A 26 -0.898 11.472 -3.482 1.00 0.00 C ATOM 403 C ILE A 26 -1.676 12.742 -3.107 1.00 0.00 C ATOM 404 O ILE A 26 -1.075 13.812 -2.929 1.00 0.00 O ATOM 405 CB ILE A 26 -1.114 11.130 -4.994 1.00 0.00 C ATOM 406 CG1 ILE A 26 -0.193 9.987 -5.423 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.862 12.345 -5.878 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.284 10.352 -5.414 1.00 0.00 C ATOM 0 H ILE A 26 -1.545 9.504 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 26 0.168 11.647 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.153 10.822 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.352 9.137 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.472 9.665 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.020 12.075 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.549 13.145 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.164 12.686 -5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.873 9.491 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.458 11.182 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.580 10.645 -4.407 1.00 0.00 H new ATOM 420 N ALA A 27 -3.000 12.605 -2.933 1.00 0.00 N ATOM 421 CA ALA A 27 -3.845 13.738 -2.526 1.00 0.00 C ATOM 422 C ALA A 27 -3.331 14.359 -1.226 1.00 0.00 C ATOM 423 O ALA A 27 -3.208 15.575 -1.115 1.00 0.00 O ATOM 424 CB ALA A 27 -5.307 13.309 -2.371 1.00 0.00 C ATOM 0 H ALA A 27 -3.505 11.729 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.794 14.490 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.908 14.167 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.676 12.924 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.379 12.531 -1.611 1.00 0.00 H new ATOM 430 N THR A 28 -3.011 13.510 -0.262 1.00 0.00 N ATOM 431 CA THR A 28 -2.495 13.970 1.017 1.00 0.00 C ATOM 432 C THR A 28 -1.067 14.547 0.880 1.00 0.00 C ATOM 433 O THR A 28 -0.747 15.575 1.499 1.00 0.00 O ATOM 434 CB THR A 28 -2.536 12.835 2.051 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.776 12.135 2.010 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.299 13.305 3.474 1.00 0.00 C ATOM 0 H THR A 28 -3.100 12.497 -0.342 1.00 0.00 H new ATOM 0 HA THR A 28 -3.137 14.778 1.367 1.00 0.00 H new ATOM 0 HB THR A 28 -1.718 12.172 1.770 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.716 11.400 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.342 12.452 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.318 13.774 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.067 14.027 3.751 1.00 0.00 H new ATOM 444 N LEU A 29 -0.206 13.890 0.078 1.00 0.00 N ATOM 445 CA LEU A 29 1.167 14.363 -0.107 1.00 0.00 C ATOM 446 C LEU A 29 1.187 15.724 -0.822 1.00 0.00 C ATOM 447 O LEU A 29 2.093 16.543 -0.575 1.00 0.00 O ATOM 448 CB LEU A 29 2.001 13.349 -0.898 1.00 0.00 C ATOM 449 CG LEU A 29 2.105 11.933 -0.314 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.352 10.915 -1.412 1.00 0.00 C ATOM 451 CD2 LEU A 29 3.198 11.854 0.739 1.00 0.00 C ATOM 0 H LEU A 29 -0.438 13.044 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 29 1.608 14.478 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.581 13.273 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.010 13.748 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 29 1.154 11.700 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.422 9.919 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.528 10.941 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.284 11.153 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.249 10.840 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.156 12.117 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.974 12.549 1.548 1.00 0.00 H new ATOM 576 N ASN A 38 0.565 18.770 6.138 1.00 0.00 N ATOM 577 CA ASN A 38 -0.655 18.006 6.377 1.00 0.00 C ATOM 578 C ASN A 38 -0.626 17.422 7.777 1.00 0.00 C ATOM 579 O ASN A 38 0.146 16.498 8.064 1.00 0.00 O ATOM 580 CB ASN A 38 -0.873 16.900 5.324 1.00 0.00 C ATOM 581 CG ASN A 38 -2.249 16.996 4.664 1.00 0.00 C ATOM 582 OD1 ASN A 38 -3.264 17.272 5.331 1.00 0.00 O ATOM 583 ND2 ASN A 38 -2.315 16.761 3.362 1.00 0.00 N ATOM 0 HA ASN A 38 -1.499 18.690 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.099 16.971 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.766 15.924 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.213 16.804 2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.467 16.537 2.841 1.00 0.00 H new ATOM 590 N ASP A 39 -1.452 17.994 8.651 1.00 0.00 N ATOM 591 CA ASP A 39 -1.534 17.595 10.065 1.00 0.00 C ATOM 592 C ASP A 39 -1.762 16.091 10.213 1.00 0.00 C ATOM 593 O ASP A 39 -2.622 15.536 9.534 1.00 0.00 O ATOM 594 CB ASP A 39 -2.688 18.353 10.761 1.00 0.00 C ATOM 595 CG ASP A 39 -2.584 18.334 12.249 1.00 0.00 C ATOM 596 OD1 ASP A 39 -2.963 17.344 12.854 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.130 19.319 12.825 1.00 0.00 O ATOM 0 H ASP A 39 -2.088 18.751 8.402 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.583 17.847 10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.696 19.387 10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.638 17.910 10.463 1.00 0.00 H new ATOM 602 N PRO A 40 -1.084 15.418 11.183 1.00 0.00 N ATOM 603 CA PRO A 40 -1.322 13.978 11.464 1.00 0.00 C ATOM 604 C PRO A 40 -2.819 13.677 11.765 1.00 0.00 C ATOM 605 O PRO A 40 -3.287 12.545 11.588 1.00 0.00 O ATOM 606 CB PRO A 40 -0.461 13.704 12.707 1.00 0.00 C ATOM 607 CG PRO A 40 0.559 14.803 12.723 1.00 0.00 C ATOM 608 CD PRO A 40 -0.116 16.010 12.129 1.00 0.00 C ATOM 0 HA PRO A 40 -1.068 13.351 10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.064 13.712 13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.015 12.725 12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.896 15.006 13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.440 14.525 12.144 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.612 16.611 12.891 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.596 16.662 11.623 1.00 0.00 H new ATOM 616 N THR A 41 -3.555 14.710 12.180 1.00 0.00 N ATOM 617 CA THR A 41 -4.986 14.630 12.459 1.00 0.00 C ATOM 618 C THR A 41 -5.827 15.040 11.224 1.00 0.00 C ATOM 619 O THR A 41 -7.060 14.990 11.256 1.00 0.00 O ATOM 620 CB THR A 41 -5.332 15.552 13.632 1.00 0.00 C ATOM 621 OG1 THR A 41 -4.200 15.811 14.465 1.00 0.00 O ATOM 622 CG2 THR A 41 -6.401 15.002 14.485 1.00 0.00 C ATOM 0 H THR A 41 -3.165 15.640 12.333 1.00 0.00 H new ATOM 0 HA THR A 41 -5.223 13.596 12.709 1.00 0.00 H new ATOM 0 HB THR A 41 -5.674 16.478 13.170 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.695 16.570 14.104 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.608 15.694 15.301 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.304 14.861 13.891 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.083 14.043 14.894 1.00 0.00 H new ATOM 630 N SER A 42 -5.161 15.489 10.178 1.00 0.00 N ATOM 631 CA SER A 42 -5.793 15.934 8.951 1.00 0.00 C ATOM 632 C SER A 42 -6.607 14.803 8.341 1.00 0.00 C ATOM 633 O SER A 42 -6.188 13.637 8.362 1.00 0.00 O ATOM 634 CB SER A 42 -4.716 16.429 7.985 1.00 0.00 C ATOM 635 OG SER A 42 -5.218 17.258 6.930 1.00 0.00 O ATOM 0 H SER A 42 -4.143 15.556 10.157 1.00 0.00 H new ATOM 0 HA SER A 42 -6.477 16.756 9.162 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.967 16.987 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.211 15.568 7.548 1.00 0.00 H new ATOM 0 HG SER A 42 -4.733 17.062 6.101 1.00 0.00 H new ATOM 641 N ALA A 43 -7.781 15.157 7.831 1.00 0.00 N ATOM 642 CA ALA A 43 -8.732 14.183 7.237 1.00 0.00 C ATOM 643 C ALA A 43 -8.031 13.174 6.342 1.00 0.00 C ATOM 644 O ALA A 43 -8.155 11.958 6.533 1.00 0.00 O ATOM 645 CB ALA A 43 -9.829 14.899 6.452 1.00 0.00 C ATOM 0 H ALA A 43 -8.114 16.121 7.810 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.184 13.639 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.512 14.163 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.379 15.563 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.380 15.483 5.649 1.00 0.00 H new ATOM 651 N VAL A 44 -7.274 13.692 5.394 1.00 0.00 N ATOM 652 CA VAL A 44 -6.534 12.915 4.469 1.00 0.00 C ATOM 653 C VAL A 44 -5.627 11.914 5.203 1.00 0.00 C ATOM 654 O VAL A 44 -5.717 10.695 4.988 1.00 0.00 O ATOM 655 CB VAL A 44 -5.690 13.793 3.507 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.263 13.801 2.100 1.00 0.00 C ATOM 657 CG2 VAL A 44 -5.497 15.209 3.993 1.00 0.00 C ATOM 0 H VAL A 44 -7.166 14.697 5.258 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.257 12.367 3.865 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.706 13.325 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.643 14.427 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.280 12.784 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.278 14.198 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.898 15.763 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.468 15.691 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.985 15.197 4.955 1.00 0.00 H new ATOM 667 N ASN A 45 -4.797 12.445 6.113 1.00 0.00 N ATOM 668 CA ASN A 45 -3.891 11.628 6.931 1.00 0.00 C ATOM 669 C ASN A 45 -4.670 10.558 7.699 1.00 0.00 C ATOM 670 O ASN A 45 -4.295 9.377 7.692 1.00 0.00 O ATOM 671 CB ASN A 45 -3.076 12.488 7.936 1.00 0.00 C ATOM 672 CG ASN A 45 -2.289 13.625 7.291 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.811 14.342 6.432 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.041 13.798 7.688 1.00 0.00 N ATOM 0 H ASN A 45 -4.735 13.446 6.301 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.192 11.151 6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.758 12.907 8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.383 11.840 8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.475 14.544 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.643 13.186 8.400 1.00 0.00 H new ATOM 681 N LEU A 46 -5.762 10.976 8.367 1.00 0.00 N ATOM 682 CA LEU A 46 -6.613 10.051 9.146 1.00 0.00 C ATOM 683 C LEU A 46 -7.101 8.916 8.265 1.00 0.00 C ATOM 684 O LEU A 46 -6.869 7.734 8.571 1.00 0.00 O ATOM 685 CB LEU A 46 -7.817 10.784 9.764 1.00 0.00 C ATOM 686 CG LEU A 46 -7.496 11.850 10.821 1.00 0.00 C ATOM 687 CD1 LEU A 46 -8.760 12.552 11.269 1.00 0.00 C ATOM 688 CD2 LEU A 46 -6.783 11.235 12.016 1.00 0.00 C ATOM 0 H LEU A 46 -6.077 11.946 8.384 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.007 9.645 9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.378 11.259 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.474 10.041 10.216 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.831 12.584 10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.513 13.304 12.018 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.231 13.034 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.448 11.824 11.699 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.567 12.011 12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.420 10.475 12.468 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.850 10.777 11.687 1.00 0.00 H new ATOM 700 N GLN A 47 -7.701 9.282 7.121 1.00 0.00 N ATOM 701 CA GLN A 47 -8.142 8.329 6.140 1.00 0.00 C ATOM 702 C GLN A 47 -7.067 7.323 5.814 1.00 0.00 C ATOM 703 O GLN A 47 -7.288 6.112 5.898 1.00 0.00 O ATOM 704 CB GLN A 47 -8.481 9.072 4.925 1.00 0.00 C ATOM 705 CG GLN A 47 -9.844 9.703 5.025 1.00 0.00 C ATOM 706 CD GLN A 47 -10.369 9.875 3.698 1.00 0.00 C ATOM 707 OE1 GLN A 47 -11.484 9.460 3.378 1.00 0.00 O ATOM 708 NE2 GLN A 47 -9.582 10.455 2.882 1.00 0.00 N ATOM 0 H GLN A 47 -7.885 10.253 6.868 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.998 7.782 6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.733 9.845 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.452 8.400 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.509 9.074 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.779 10.665 5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.668 10.780 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.865 10.594 1.912 1.00 0.00 H new ATOM 717 N LEU A 48 -5.887 7.831 5.454 1.00 0.00 N ATOM 718 CA LEU A 48 -4.747 6.970 5.095 1.00 0.00 C ATOM 719 C LEU A 48 -4.381 6.038 6.223 1.00 0.00 C ATOM 720 O LEU A 48 -4.071 4.890 5.980 1.00 0.00 O ATOM 721 CB LEU A 48 -3.531 7.799 4.731 1.00 0.00 C ATOM 722 CG LEU A 48 -3.714 8.725 3.545 1.00 0.00 C ATOM 723 CD1 LEU A 48 -2.817 9.934 3.662 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.466 7.986 2.249 1.00 0.00 C ATOM 0 H LEU A 48 -5.691 8.831 5.402 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.058 6.381 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.245 8.396 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.701 7.125 4.521 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.746 9.076 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.967 10.583 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.060 10.480 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.776 9.613 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.602 8.668 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.447 7.599 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.170 7.158 2.162 1.00 0.00 H new ATOM 736 N ASN A 49 -4.419 6.534 7.458 1.00 0.00 N ATOM 737 CA ASN A 49 -4.095 5.692 8.627 1.00 0.00 C ATOM 738 C ASN A 49 -5.023 4.502 8.658 1.00 0.00 C ATOM 739 O ASN A 49 -4.575 3.351 8.760 1.00 0.00 O ATOM 740 CB ASN A 49 -4.210 6.468 9.936 1.00 0.00 C ATOM 741 CG ASN A 49 -2.945 7.215 10.278 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.099 6.717 11.026 1.00 0.00 O ATOM 743 ND2 ASN A 49 -2.785 8.396 9.727 1.00 0.00 N ATOM 0 H ASN A 49 -4.666 7.498 7.682 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.061 5.362 8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.037 7.174 9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.450 5.777 10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.939 8.935 9.912 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.507 8.775 9.114 1.00 0.00 H new ATOM 750 N ASP A 50 -6.320 4.777 8.455 1.00 0.00 N ATOM 751 CA ASP A 50 -7.324 3.723 8.346 1.00 0.00 C ATOM 752 C ASP A 50 -6.961 2.822 7.182 1.00 0.00 C ATOM 753 O ASP A 50 -6.809 1.622 7.356 1.00 0.00 O ATOM 754 CB ASP A 50 -8.717 4.313 8.128 1.00 0.00 C ATOM 755 CG ASP A 50 -9.797 3.273 8.187 1.00 0.00 C ATOM 756 OD1 ASP A 50 -10.033 2.592 7.186 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.415 3.129 9.245 1.00 0.00 O ATOM 0 H ASP A 50 -6.692 5.722 8.364 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.342 3.152 9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.908 5.074 8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.749 4.811 7.159 1.00 0.00 H new ATOM 762 N LEU A 51 -6.768 3.439 6.001 1.00 0.00 N ATOM 763 CA LEU A 51 -6.347 2.740 4.788 1.00 0.00 C ATOM 764 C LEU A 51 -5.187 1.787 5.085 1.00 0.00 C ATOM 765 O LEU A 51 -5.310 0.578 4.920 1.00 0.00 O ATOM 766 CB LEU A 51 -5.905 3.769 3.736 1.00 0.00 C ATOM 767 CG LEU A 51 -7.022 4.332 2.874 1.00 0.00 C ATOM 768 CD1 LEU A 51 -7.069 5.848 2.899 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.876 3.855 1.480 1.00 0.00 C ATOM 0 H LEU A 51 -6.902 4.441 5.869 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.188 2.157 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.409 4.595 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.164 3.304 3.085 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.962 3.973 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.885 6.197 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.230 6.190 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.125 6.247 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.681 4.264 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.916 4.183 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.923 2.766 1.461 1.00 0.00 H new ATOM 781 N ILE A 52 -4.081 2.359 5.536 1.00 0.00 N ATOM 782 CA ILE A 52 -2.861 1.622 5.885 1.00 0.00 C ATOM 783 C ILE A 52 -3.178 0.371 6.720 1.00 0.00 C ATOM 784 O ILE A 52 -2.802 -0.746 6.341 1.00 0.00 O ATOM 785 CB ILE A 52 -1.844 2.537 6.656 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.370 3.692 5.779 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.631 1.757 7.156 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.728 4.800 6.570 1.00 0.00 C ATOM 0 H ILE A 52 -3.998 3.366 5.675 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.403 1.303 4.949 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.380 2.931 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.657 3.316 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.218 4.092 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.044 2.432 7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.959 0.970 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.110 1.312 6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.411 5.594 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.446 5.199 7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.139 4.411 7.104 1.00 0.00 H new ATOM 800 N GLU A 53 -3.887 0.552 7.834 1.00 0.00 N ATOM 801 CA GLU A 53 -4.241 -0.579 8.693 1.00 0.00 C ATOM 802 C GLU A 53 -5.279 -1.472 8.043 1.00 0.00 C ATOM 803 O GLU A 53 -5.174 -2.707 8.108 1.00 0.00 O ATOM 804 CB GLU A 53 -4.679 -0.112 10.062 1.00 0.00 C ATOM 805 CG GLU A 53 -3.505 0.365 10.884 1.00 0.00 C ATOM 806 CD GLU A 53 -3.499 -0.192 12.259 1.00 0.00 C ATOM 807 OE1 GLU A 53 -3.306 -1.391 12.398 1.00 0.00 O ATOM 808 OE2 GLU A 53 -3.692 0.564 13.207 1.00 0.00 O ATOM 0 H GLU A 53 -4.224 1.458 8.160 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.343 -1.182 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.404 0.695 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.182 -0.927 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.579 0.087 10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.524 1.453 10.938 1.00 0.00 H new ATOM 815 N HIS A 54 -6.217 -0.861 7.336 1.00 0.00 N ATOM 816 CA HIS A 54 -7.207 -1.603 6.562 1.00 0.00 C ATOM 817 C HIS A 54 -6.483 -2.550 5.604 1.00 0.00 C ATOM 818 O HIS A 54 -6.825 -3.733 5.512 1.00 0.00 O ATOM 819 CB HIS A 54 -8.097 -0.650 5.776 1.00 0.00 C ATOM 820 CG HIS A 54 -9.362 -1.272 5.277 1.00 0.00 C ATOM 821 ND1 HIS A 54 -9.485 -2.614 4.937 1.00 0.00 N ATOM 822 CD2 HIS A 54 -10.577 -0.727 5.066 1.00 0.00 C ATOM 823 CE1 HIS A 54 -10.721 -2.847 4.537 1.00 0.00 C ATOM 824 NE2 HIS A 54 -11.402 -1.719 4.608 1.00 0.00 N ATOM 0 H HIS A 54 -6.316 0.153 7.281 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.837 -2.175 7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.348 0.202 6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.535 -0.262 4.926 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -8.739 -3.308 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.850 0.305 5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.109 -3.799 4.207 1.00 0.00 H new ATOM 833 N ILE A 55 -5.440 -2.032 4.944 1.00 0.00 N ATOM 834 CA ILE A 55 -4.597 -2.838 4.074 1.00 0.00 C ATOM 835 C ILE A 55 -3.811 -3.839 4.930 1.00 0.00 C ATOM 836 O ILE A 55 -3.742 -5.013 4.595 1.00 0.00 O ATOM 837 CB ILE A 55 -3.601 -1.960 3.241 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.352 -0.908 2.425 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.752 -2.818 2.307 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.451 0.126 1.797 1.00 0.00 C ATOM 0 H ILE A 55 -5.164 -1.052 5.001 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.241 -3.361 3.367 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.942 -1.459 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.921 -1.407 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.073 -0.406 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.072 -2.179 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.176 -3.533 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.401 -3.355 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.053 0.839 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.901 0.652 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.747 -0.365 1.125 1.00 0.00 H new ATOM 852 N ALA A 56 -3.260 -3.365 6.067 1.00 0.00 N ATOM 853 CA ALA A 56 -2.513 -4.224 7.000 1.00 0.00 C ATOM 854 C ALA A 56 -3.339 -5.452 7.371 1.00 0.00 C ATOM 855 O ALA A 56 -2.946 -6.584 7.083 1.00 0.00 O ATOM 856 CB ALA A 56 -2.106 -3.441 8.264 1.00 0.00 C ATOM 0 H ALA A 56 -3.321 -2.389 6.358 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.602 -4.557 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.555 -4.098 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.475 -2.598 7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.000 -3.072 8.767 1.00 0.00 H new ATOM 862 N SER A 57 -4.515 -5.214 7.946 1.00 0.00 N ATOM 863 CA SER A 57 -5.435 -6.295 8.312 1.00 0.00 C ATOM 864 C SER A 57 -5.747 -7.171 7.090 1.00 0.00 C ATOM 865 O SER A 57 -5.692 -8.406 7.164 1.00 0.00 O ATOM 866 CB SER A 57 -6.729 -5.735 8.945 1.00 0.00 C ATOM 867 OG SER A 57 -7.267 -4.618 8.200 1.00 0.00 O ATOM 0 H SER A 57 -4.857 -4.280 8.170 1.00 0.00 H new ATOM 0 HA SER A 57 -4.948 -6.919 9.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.476 -6.527 8.999 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.524 -5.421 9.968 1.00 0.00 H new ATOM 0 HG SER A 57 -6.647 -3.861 8.253 1.00 0.00 H new ATOM 873 N PHE A 58 -6.001 -6.525 5.945 1.00 0.00 N ATOM 874 CA PHE A 58 -6.246 -7.254 4.711 1.00 0.00 C ATOM 875 C PHE A 58 -5.049 -8.157 4.374 1.00 0.00 C ATOM 876 O PHE A 58 -5.223 -9.369 4.158 1.00 0.00 O ATOM 877 CB PHE A 58 -6.556 -6.308 3.545 1.00 0.00 C ATOM 878 CG PHE A 58 -7.075 -7.035 2.342 1.00 0.00 C ATOM 879 CD1 PHE A 58 -8.288 -7.696 2.394 1.00 0.00 C ATOM 880 CD2 PHE A 58 -6.340 -7.083 1.171 1.00 0.00 C ATOM 881 CE1 PHE A 58 -8.755 -8.390 1.305 1.00 0.00 C ATOM 882 CE2 PHE A 58 -6.810 -7.773 0.078 1.00 0.00 C ATOM 883 CZ PHE A 58 -8.017 -8.427 0.146 1.00 0.00 C ATOM 0 H PHE A 58 -6.040 -5.510 5.855 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.125 -7.880 4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.291 -5.570 3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.653 -5.761 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.874 -7.666 3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.389 -6.574 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.702 -8.907 1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.231 -7.801 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.386 -8.970 -0.712 1.00 0.00 H new ATOM 893 N VAL A 59 -3.840 -7.584 4.408 1.00 0.00 N ATOM 894 CA VAL A 59 -2.600 -8.333 4.179 1.00 0.00 C ATOM 895 C VAL A 59 -2.523 -9.547 5.117 1.00 0.00 C ATOM 896 O VAL A 59 -2.140 -10.636 4.685 1.00 0.00 O ATOM 897 CB VAL A 59 -1.340 -7.419 4.348 1.00 0.00 C ATOM 898 CG1 VAL A 59 -0.040 -8.225 4.369 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.290 -6.392 3.232 1.00 0.00 C ATOM 0 H VAL A 59 -3.694 -6.592 4.594 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.611 -8.691 3.150 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.431 -6.916 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.806 -7.548 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.062 -8.929 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.063 -8.774 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.410 -5.761 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.236 -6.902 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.188 -5.774 3.265 1.00 0.00 H new ATOM 909 N MET A 60 -2.942 -9.374 6.385 1.00 0.00 N ATOM 910 CA MET A 60 -2.973 -10.499 7.335 1.00 0.00 C ATOM 911 C MET A 60 -3.719 -11.696 6.721 1.00 0.00 C ATOM 912 O MET A 60 -3.199 -12.816 6.719 1.00 0.00 O ATOM 913 CB MET A 60 -3.629 -10.105 8.674 1.00 0.00 C ATOM 914 CG MET A 60 -2.682 -10.081 9.848 1.00 0.00 C ATOM 915 SD MET A 60 -2.960 -8.688 10.956 1.00 0.00 S ATOM 916 CE MET A 60 -2.403 -7.332 9.938 1.00 0.00 C ATOM 0 H MET A 60 -3.258 -8.483 6.769 1.00 0.00 H new ATOM 0 HA MET A 60 -1.940 -10.779 7.539 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.081 -9.119 8.567 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.437 -10.804 8.889 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.786 -11.010 10.409 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.657 -10.044 9.479 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.437 -6.978 10.299 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.303 -7.669 8.906 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.128 -6.519 9.986 1.00 0.00 H new ATOM 926 N SER A 61 -4.890 -11.432 6.114 1.00 0.00 N ATOM 927 CA SER A 61 -5.667 -12.465 5.434 1.00 0.00 C ATOM 928 C SER A 61 -4.840 -13.116 4.333 1.00 0.00 C ATOM 929 O SER A 61 -4.812 -14.340 4.213 1.00 0.00 O ATOM 930 CB SER A 61 -6.964 -11.890 4.847 1.00 0.00 C ATOM 931 OG SER A 61 -7.220 -10.550 5.295 1.00 0.00 O ATOM 0 H SER A 61 -5.314 -10.505 6.085 1.00 0.00 H new ATOM 0 HA SER A 61 -5.933 -13.221 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.903 -11.901 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.801 -12.530 5.126 1.00 0.00 H new ATOM 0 HG SER A 61 -6.818 -9.913 4.668 1.00 0.00 H new ATOM 937 N PHE A 62 -4.112 -12.287 3.572 1.00 0.00 N ATOM 938 CA PHE A 62 -3.210 -12.778 2.524 1.00 0.00 C ATOM 939 C PHE A 62 -2.281 -13.850 3.104 1.00 0.00 C ATOM 940 O PHE A 62 -2.225 -14.978 2.599 1.00 0.00 O ATOM 941 CB PHE A 62 -2.385 -11.618 1.952 1.00 0.00 C ATOM 942 CG PHE A 62 -2.076 -11.758 0.491 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.022 -11.445 -0.462 1.00 0.00 C ATOM 944 CD2 PHE A 62 -0.842 -12.205 0.076 1.00 0.00 C ATOM 945 CE1 PHE A 62 -2.747 -11.573 -1.804 1.00 0.00 C ATOM 946 CE2 PHE A 62 -0.554 -12.336 -1.266 1.00 0.00 C ATOM 947 CZ PHE A 62 -1.510 -12.020 -2.212 1.00 0.00 C ATOM 0 H PHE A 62 -4.131 -11.271 3.664 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.801 -13.215 1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.927 -10.686 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.449 -11.542 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.994 -11.094 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.091 -12.456 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.500 -11.323 -2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.419 -12.686 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.289 -12.123 -3.264 1.00 0.00 H new ATOM 957 N LYS A 63 -1.615 -13.509 4.218 1.00 0.00 N ATOM 958 CA LYS A 63 -0.718 -14.461 4.924 1.00 0.00 C ATOM 959 C LYS A 63 -1.443 -15.737 5.361 1.00 0.00 C ATOM 960 O LYS A 63 -0.827 -16.801 5.421 1.00 0.00 O ATOM 961 CB LYS A 63 0.035 -13.842 6.135 1.00 0.00 C ATOM 962 CG LYS A 63 -0.099 -12.330 6.336 1.00 0.00 C ATOM 963 CD LYS A 63 0.823 -11.547 5.415 1.00 0.00 C ATOM 964 CE LYS A 63 2.095 -11.125 6.140 1.00 0.00 C ATOM 965 NZ LYS A 63 3.069 -10.461 5.253 1.00 0.00 N ATOM 0 H LYS A 63 -1.674 -12.589 4.654 1.00 0.00 H new ATOM 0 HA LYS A 63 0.032 -14.721 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.315 -14.337 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.094 -14.078 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.131 -12.031 6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.128 -12.081 7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.080 -12.157 4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.304 -10.664 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.835 -10.450 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.560 -12.003 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.978 -10.965 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.713 -10.473 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.204 -9.477 5.560 1.00 0.00 H new ATOM 979 N ILE A 64 -2.743 -15.639 5.642 1.00 0.00 N ATOM 980 CA ILE A 64 -3.537 -16.811 6.016 1.00 0.00 C ATOM 981 C ILE A 64 -3.688 -17.708 4.791 1.00 0.00 C ATOM 982 O ILE A 64 -3.498 -18.937 4.871 1.00 0.00 O ATOM 983 CB ILE A 64 -4.965 -16.426 6.549 1.00 0.00 C ATOM 984 CG1 ILE A 64 -4.889 -15.311 7.604 1.00 0.00 C ATOM 985 CG2 ILE A 64 -5.681 -17.643 7.128 1.00 0.00 C ATOM 986 CD1 ILE A 64 -6.227 -14.948 8.206 1.00 0.00 C ATOM 0 H ILE A 64 -3.267 -14.764 5.618 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.015 -17.325 6.823 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.537 -16.055 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.215 -15.624 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.453 -14.422 7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.666 -17.348 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.791 -18.403 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.098 -18.049 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.092 -14.155 8.941 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.898 -14.603 7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.657 -15.824 8.692 1.00 0.00 H new ATOM 998 N LYS A 65 -4.002 -17.085 3.651 1.00 0.00 N ATOM 999 CA LYS A 65 -4.168 -17.786 2.408 1.00 0.00 C ATOM 1000 C LYS A 65 -2.839 -18.351 1.908 1.00 0.00 C ATOM 1001 O LYS A 65 -2.761 -19.535 1.540 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.765 -16.862 1.337 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.964 -16.029 1.790 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.910 -14.610 1.228 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.284 -14.126 0.780 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.703 -14.728 -0.508 1.00 0.00 N ATOM 0 H LYS A 65 -4.145 -16.078 3.581 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.853 -18.614 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.985 -16.186 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.067 -17.469 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.886 -16.513 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.989 -15.989 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.516 -13.933 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.221 -14.579 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.019 -14.368 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.270 -13.040 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.676 -14.435 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.065 -14.408 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.662 -15.765 -0.436 1.00 0.00 H new ATOM 1020 N TYR A 66 -1.820 -17.488 1.802 1.00 0.00 N ATOM 1021 CA TYR A 66 -0.527 -17.896 1.243 1.00 0.00 C ATOM 1022 C TYR A 66 0.586 -16.892 1.566 1.00 0.00 C ATOM 1023 O TYR A 66 0.440 -15.701 1.303 1.00 0.00 O ATOM 1024 CB TYR A 66 -0.625 -18.056 -0.304 1.00 0.00 C ATOM 1025 CG TYR A 66 -1.741 -17.240 -0.974 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.790 -15.849 -0.857 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -2.741 -17.864 -1.707 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -2.797 -15.114 -1.452 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -3.752 -17.133 -2.307 1.00 0.00 C ATOM 1030 CZ TYR A 66 -3.778 -15.761 -2.176 1.00 0.00 C ATOM 1031 OH TYR A 66 -4.790 -15.045 -2.784 1.00 0.00 O ATOM 0 H TYR A 66 -1.866 -16.512 2.093 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.275 -18.851 1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.329 -17.768 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.778 -19.110 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.026 -15.338 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.730 -18.939 -1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.817 -14.039 -1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.519 -17.637 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.106 -14.345 -2.176 1.00 0.00 H new ATOM 1041 N PRO A 67 1.758 -17.371 2.065 1.00 0.00 N ATOM 1042 CA PRO A 67 2.938 -16.513 2.314 1.00 0.00 C ATOM 1043 C PRO A 67 3.882 -16.455 1.071 1.00 0.00 C ATOM 1044 O PRO A 67 5.060 -16.081 1.182 1.00 0.00 O ATOM 1045 CB PRO A 67 3.621 -17.286 3.428 1.00 0.00 C ATOM 1046 CG PRO A 67 3.442 -18.709 3.004 1.00 0.00 C ATOM 1047 CD PRO A 67 2.062 -18.790 2.383 1.00 0.00 C ATOM 0 HA PRO A 67 2.685 -15.477 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.674 -17.020 3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.160 -17.092 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.210 -19.002 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.527 -19.383 3.856 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.057 -19.414 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.333 -19.215 3.073 1.00 0.00 H new ATOM 1055 N ASP A 68 3.366 -16.890 -0.102 1.00 0.00 N ATOM 1056 CA ASP A 68 4.151 -16.952 -1.363 1.00 0.00 C ATOM 1057 C ASP A 68 4.564 -15.568 -1.884 1.00 0.00 C ATOM 1058 O ASP A 68 5.302 -15.459 -2.870 1.00 0.00 O ATOM 1059 CB ASP A 68 3.363 -17.709 -2.447 1.00 0.00 C ATOM 1060 CG ASP A 68 4.238 -18.496 -3.380 1.00 0.00 C ATOM 1061 OD1 ASP A 68 5.164 -19.152 -2.917 1.00 0.00 O ATOM 1062 OD2 ASP A 68 3.992 -18.469 -4.577 1.00 0.00 O ATOM 0 H ASP A 68 2.402 -17.206 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 68 5.070 -17.490 -1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.656 -18.385 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.777 -16.995 -3.026 1.00 0.00 H new ATOM 1067 N ASP A 69 4.074 -14.539 -1.243 1.00 0.00 N ATOM 1068 CA ASP A 69 4.334 -13.159 -1.588 1.00 0.00 C ATOM 1069 C ASP A 69 5.403 -12.550 -0.670 1.00 0.00 C ATOM 1070 O ASP A 69 5.372 -11.353 -0.377 1.00 0.00 O ATOM 1071 CB ASP A 69 3.028 -12.428 -1.407 1.00 0.00 C ATOM 1072 CG ASP A 69 2.698 -12.115 0.046 1.00 0.00 C ATOM 1073 OD1 ASP A 69 2.954 -12.970 0.911 1.00 0.00 O ATOM 1074 OD2 ASP A 69 2.196 -11.029 0.327 1.00 0.00 O ATOM 0 H ASP A 69 3.459 -14.639 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 69 4.707 -13.081 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.062 -11.496 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.224 -13.029 -1.832 1.00 0.00 H new ATOM 1079 N GLY A 70 6.304 -13.381 -0.190 1.00 0.00 N ATOM 1080 CA GLY A 70 7.339 -12.954 0.754 1.00 0.00 C ATOM 1081 C GLY A 70 7.910 -11.567 0.471 1.00 0.00 C ATOM 1082 O GLY A 70 8.021 -10.751 1.390 1.00 0.00 O ATOM 0 H GLY A 70 6.348 -14.370 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.923 -12.965 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.152 -13.680 0.737 1.00 0.00 H new ATOM 1086 N ASP A 71 8.204 -11.269 -0.800 1.00 0.00 N ATOM 1087 CA ASP A 71 8.714 -9.933 -1.171 1.00 0.00 C ATOM 1088 C ASP A 71 7.566 -8.932 -1.337 1.00 0.00 C ATOM 1089 O ASP A 71 7.671 -7.788 -0.908 1.00 0.00 O ATOM 1090 CB ASP A 71 9.571 -9.995 -2.446 1.00 0.00 C ATOM 1091 CG ASP A 71 10.974 -9.575 -2.213 1.00 0.00 C ATOM 1092 OD1 ASP A 71 11.782 -10.409 -1.819 1.00 0.00 O ATOM 1093 OD2 ASP A 71 11.286 -8.416 -2.432 1.00 0.00 O ATOM 0 H ASP A 71 8.102 -11.918 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 71 9.351 -9.588 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.561 -11.013 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.127 -9.356 -3.209 1.00 0.00 H new ATOM 1098 N LEU A 72 6.463 -9.374 -1.945 1.00 0.00 N ATOM 1099 CA LEU A 72 5.269 -8.523 -2.128 1.00 0.00 C ATOM 1100 C LEU A 72 4.758 -8.033 -0.784 1.00 0.00 C ATOM 1101 O LEU A 72 4.552 -6.835 -0.597 1.00 0.00 O ATOM 1102 CB LEU A 72 4.143 -9.289 -2.835 1.00 0.00 C ATOM 1103 CG LEU A 72 3.019 -8.449 -3.486 1.00 0.00 C ATOM 1104 CD1 LEU A 72 3.503 -7.068 -3.918 1.00 0.00 C ATOM 1105 CD2 LEU A 72 2.413 -9.194 -4.660 1.00 0.00 C ATOM 0 H LEU A 72 6.365 -10.317 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 72 5.564 -7.675 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.592 -9.911 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.685 -9.962 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 72 2.251 -8.295 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.677 -6.518 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.870 -6.523 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.308 -7.176 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.624 -8.589 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.185 -9.390 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.994 -10.139 -4.314 1.00 0.00 H new ATOM 1117 N SER A 73 4.610 -8.962 0.158 1.00 0.00 N ATOM 1118 CA SER A 73 4.175 -8.645 1.518 1.00 0.00 C ATOM 1119 C SER A 73 5.132 -7.635 2.101 1.00 0.00 C ATOM 1120 O SER A 73 4.731 -6.548 2.504 1.00 0.00 O ATOM 1121 CB SER A 73 4.141 -9.914 2.384 1.00 0.00 C ATOM 1122 OG SER A 73 2.801 -10.228 2.801 1.00 0.00 O ATOM 0 H SER A 73 4.788 -9.954 0.001 1.00 0.00 H new ATOM 0 HA SER A 73 3.167 -8.232 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.555 -10.751 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.774 -9.775 3.261 1.00 0.00 H new ATOM 0 HG SER A 73 2.271 -10.497 2.022 1.00 0.00 H new ATOM 1128 N GLU A 74 6.418 -7.963 2.010 1.00 0.00 N ATOM 1129 CA GLU A 74 7.493 -7.095 2.376 1.00 0.00 C ATOM 1130 C GLU A 74 7.264 -5.681 1.797 1.00 0.00 C ATOM 1131 O GLU A 74 7.308 -4.687 2.527 1.00 0.00 O ATOM 1132 CB GLU A 74 8.784 -7.707 1.823 1.00 0.00 C ATOM 1133 CG GLU A 74 10.016 -7.407 2.610 1.00 0.00 C ATOM 1134 CD GLU A 74 10.816 -8.631 2.943 1.00 0.00 C ATOM 1135 OE1 GLU A 74 11.065 -9.451 2.054 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.209 -8.768 4.094 1.00 0.00 O ATOM 0 H GLU A 74 6.732 -8.871 1.667 1.00 0.00 H new ATOM 0 HA GLU A 74 7.556 -6.995 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.661 -8.789 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.928 -7.351 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.641 -6.715 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.735 -6.902 3.534 1.00 0.00 H new ATOM 1143 N LEU A 75 6.971 -5.620 0.504 1.00 0.00 N ATOM 1144 CA LEU A 75 6.698 -4.363 -0.193 1.00 0.00 C ATOM 1145 C LEU A 75 5.459 -3.698 0.369 1.00 0.00 C ATOM 1146 O LEU A 75 5.481 -2.518 0.721 1.00 0.00 O ATOM 1147 CB LEU A 75 6.496 -4.608 -1.701 1.00 0.00 C ATOM 1148 CG LEU A 75 7.014 -3.529 -2.679 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.452 -2.254 -1.965 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.140 -4.079 -3.521 1.00 0.00 C ATOM 0 H LEU A 75 6.915 -6.443 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 75 7.558 -3.710 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.979 -5.551 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.429 -4.738 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 75 6.181 -3.258 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.807 -1.530 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.607 -1.834 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.256 -2.486 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.494 -3.307 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.959 -4.393 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.782 -4.934 -4.094 1.00 0.00 H new ATOM 1162 N VAL A 76 4.370 -4.452 0.440 1.00 0.00 N ATOM 1163 CA VAL A 76 3.108 -3.922 0.951 1.00 0.00 C ATOM 1164 C VAL A 76 3.292 -3.401 2.377 1.00 0.00 C ATOM 1165 O VAL A 76 2.931 -2.259 2.667 1.00 0.00 O ATOM 1166 CB VAL A 76 1.942 -4.964 0.897 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.605 -4.309 1.234 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.865 -5.622 -0.481 1.00 0.00 C ATOM 0 H VAL A 76 4.332 -5.430 0.152 1.00 0.00 H new ATOM 0 HA VAL A 76 2.822 -3.099 0.296 1.00 0.00 H new ATOM 0 HB VAL A 76 2.151 -5.731 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.188 -5.056 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.649 -3.887 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.397 -3.516 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.047 -6.343 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.689 -4.859 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.804 -6.134 -0.693 1.00 0.00 H new ATOM 1178 N GLU A 77 3.923 -4.206 3.236 1.00 0.00 N ATOM 1179 CA GLU A 77 4.208 -3.788 4.614 1.00 0.00 C ATOM 1180 C GLU A 77 5.120 -2.562 4.622 1.00 0.00 C ATOM 1181 O GLU A 77 4.852 -1.593 5.359 1.00 0.00 O ATOM 1182 CB GLU A 77 4.792 -4.942 5.430 1.00 0.00 C ATOM 1183 CG GLU A 77 3.821 -6.128 5.563 1.00 0.00 C ATOM 1184 CD GLU A 77 4.360 -7.287 6.346 1.00 0.00 C ATOM 1185 OE1 GLU A 77 5.526 -7.263 6.751 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.618 -8.244 6.542 1.00 0.00 O ATOM 0 H GLU A 77 4.245 -5.146 3.005 1.00 0.00 H new ATOM 0 HA GLU A 77 3.270 -3.505 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.714 -5.284 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.056 -4.581 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.904 -5.779 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.551 -6.474 4.565 1.00 0.00 H new ATOM 1193 N GLU A 78 6.113 -2.552 3.705 1.00 0.00 N ATOM 1194 CA GLU A 78 6.962 -1.377 3.487 1.00 0.00 C ATOM 1195 C GLU A 78 6.042 -0.189 3.199 1.00 0.00 C ATOM 1196 O GLU A 78 6.067 0.808 3.895 1.00 0.00 O ATOM 1197 CB GLU A 78 7.896 -1.605 2.264 1.00 0.00 C ATOM 1198 CG GLU A 78 9.361 -1.242 2.474 1.00 0.00 C ATOM 1199 CD GLU A 78 10.040 -0.847 1.188 1.00 0.00 C ATOM 1200 OE1 GLU A 78 9.963 -1.605 0.205 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.656 0.214 1.152 1.00 0.00 O ATOM 0 H GLU A 78 6.340 -3.348 3.108 1.00 0.00 H new ATOM 0 HA GLU A 78 7.580 -1.194 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.839 -2.655 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.514 -1.024 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.431 -0.421 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.885 -2.091 2.913 1.00 0.00 H new ATOM 1208 N TYR A 79 5.180 -0.368 2.190 1.00 0.00 N ATOM 1209 CA TYR A 79 4.187 0.627 1.777 1.00 0.00 C ATOM 1210 C TYR A 79 3.393 1.155 2.967 1.00 0.00 C ATOM 1211 O TYR A 79 3.293 2.373 3.163 1.00 0.00 O ATOM 1212 CB TYR A 79 3.228 0.024 0.731 1.00 0.00 C ATOM 1213 CG TYR A 79 2.597 1.012 -0.229 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.150 2.264 -0.454 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.444 0.676 -0.922 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.576 3.147 -1.335 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.863 1.555 -1.811 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.431 2.789 -2.013 1.00 0.00 C ATOM 1219 OH TYR A 79 0.855 3.665 -2.899 1.00 0.00 O ATOM 0 H TYR A 79 5.154 -1.221 1.631 1.00 0.00 H new ATOM 0 HA TYR A 79 4.725 1.465 1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.774 -0.720 0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.432 -0.503 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.048 2.549 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.993 -0.292 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.020 4.118 -1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.033 1.275 -2.345 1.00 0.00 H new ATOM 0 HH TYR A 79 0.912 4.576 -2.542 1.00 0.00 H new ATOM 1229 N LEU A 80 2.781 0.250 3.729 1.00 0.00 N ATOM 1230 CA LEU A 80 1.969 0.642 4.895 1.00 0.00 C ATOM 1231 C LEU A 80 2.786 1.493 5.861 1.00 0.00 C ATOM 1232 O LEU A 80 2.368 2.603 6.238 1.00 0.00 O ATOM 1233 CB LEU A 80 1.414 -0.595 5.635 1.00 0.00 C ATOM 1234 CG LEU A 80 0.843 -1.713 4.756 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.123 -2.731 5.585 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.068 -1.156 3.683 1.00 0.00 C ATOM 0 H LEU A 80 2.827 -0.756 3.567 1.00 0.00 H new ATOM 0 HA LEU A 80 1.129 1.229 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.213 -1.015 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.631 -0.263 6.317 1.00 0.00 H new ATOM 0 HG LEU A 80 1.681 -2.206 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.273 -3.514 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.815 -3.170 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.698 -2.251 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.457 -1.973 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.897 -0.624 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.493 -0.469 3.050 1.00 0.00 H new ATOM 1248 N ASP A 81 3.971 0.990 6.222 1.00 0.00 N ATOM 1249 CA ASP A 81 4.880 1.699 7.127 1.00 0.00 C ATOM 1250 C ASP A 81 5.307 3.027 6.516 1.00 0.00 C ATOM 1251 O ASP A 81 5.222 4.079 7.157 1.00 0.00 O ATOM 1252 CB ASP A 81 6.109 0.837 7.414 1.00 0.00 C ATOM 1253 CG ASP A 81 6.601 0.992 8.811 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.340 1.930 9.075 1.00 0.00 O ATOM 1255 OD2 ASP A 81 6.241 0.168 9.655 1.00 0.00 O ATOM 0 H ASP A 81 4.324 0.089 5.899 1.00 0.00 H new ATOM 0 HA ASP A 81 4.357 1.897 8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.865 -0.210 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.906 1.104 6.720 1.00 0.00 H new ATOM 1260 N ASP A 82 5.732 2.967 5.260 1.00 0.00 N ATOM 1261 CA ASP A 82 6.139 4.142 4.476 1.00 0.00 C ATOM 1262 C ASP A 82 5.058 5.220 4.547 1.00 0.00 C ATOM 1263 O ASP A 82 5.281 6.324 5.084 1.00 0.00 O ATOM 1264 CB ASP A 82 6.357 3.722 3.002 1.00 0.00 C ATOM 1265 CG ASP A 82 7.304 4.595 2.253 1.00 0.00 C ATOM 1266 OD1 ASP A 82 7.300 5.805 2.470 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.055 4.058 1.437 1.00 0.00 O ATOM 0 H ASP A 82 5.807 2.091 4.744 1.00 0.00 H new ATOM 0 HA ASP A 82 7.066 4.543 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.729 2.698 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.395 3.724 2.489 1.00 0.00 H new ATOM 1272 N THR A 83 3.862 4.856 4.077 1.00 0.00 N ATOM 1273 CA THR A 83 2.687 5.728 4.120 1.00 0.00 C ATOM 1274 C THR A 83 2.484 6.283 5.540 1.00 0.00 C ATOM 1275 O THR A 83 2.302 7.503 5.729 1.00 0.00 O ATOM 1276 CB THR A 83 1.433 4.941 3.660 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.705 4.191 2.474 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.234 5.808 3.359 1.00 0.00 C ATOM 0 H THR A 83 3.682 3.945 3.655 1.00 0.00 H new ATOM 0 HA THR A 83 2.843 6.569 3.444 1.00 0.00 H new ATOM 0 HB THR A 83 1.196 4.297 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.971 3.280 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.599 5.180 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.048 6.363 4.254 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.482 6.508 2.561 1.00 0.00 H new ATOM 1286 N TYR A 84 2.526 5.387 6.536 1.00 0.00 N ATOM 1287 CA TYR A 84 2.357 5.773 7.923 1.00 0.00 C ATOM 1288 C TYR A 84 3.412 6.811 8.333 1.00 0.00 C ATOM 1289 O TYR A 84 3.067 7.865 8.864 1.00 0.00 O ATOM 1290 CB TYR A 84 2.413 4.530 8.830 1.00 0.00 C ATOM 1291 CG TYR A 84 2.476 4.829 10.303 1.00 0.00 C ATOM 1292 CD1 TYR A 84 1.338 5.165 11.014 1.00 0.00 C ATOM 1293 CD2 TYR A 84 3.678 4.766 10.978 1.00 0.00 C ATOM 1294 CE1 TYR A 84 1.397 5.429 12.365 1.00 0.00 C ATOM 1295 CE2 TYR A 84 3.755 5.029 12.325 1.00 0.00 C ATOM 1296 CZ TYR A 84 2.612 5.360 13.019 1.00 0.00 C ATOM 1297 OH TYR A 84 2.690 5.611 14.380 1.00 0.00 O ATOM 0 H TYR A 84 2.677 4.388 6.394 1.00 0.00 H new ATOM 0 HA TYR A 84 1.378 6.237 8.041 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.534 3.915 8.635 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.285 3.936 8.556 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.389 5.221 10.502 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.576 4.505 10.437 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.500 5.688 12.909 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.705 4.976 12.836 1.00 0.00 H new ATOM 0 HH TYR A 84 3.619 5.518 14.677 1.00 0.00 H new ATOM 1307 N THR A 85 4.681 6.509 8.086 1.00 0.00 N ATOM 1308 CA THR A 85 5.783 7.417 8.434 1.00 0.00 C ATOM 1309 C THR A 85 5.604 8.809 7.772 1.00 0.00 C ATOM 1310 O THR A 85 5.618 9.851 8.466 1.00 0.00 O ATOM 1311 CB THR A 85 7.144 6.787 8.047 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.160 5.398 8.351 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.332 7.409 8.756 1.00 0.00 C ATOM 0 H THR A 85 4.980 5.640 7.644 1.00 0.00 H new ATOM 0 HA THR A 85 5.767 7.568 9.513 1.00 0.00 H new ATOM 0 HB THR A 85 7.241 6.971 6.977 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.667 4.906 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.248 6.915 8.433 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.387 8.470 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.216 7.290 9.833 1.00 0.00 H new ATOM 1321 N LEU A 86 5.424 8.824 6.441 1.00 0.00 N ATOM 1322 CA LEU A 86 5.248 10.082 5.681 1.00 0.00 C ATOM 1323 C LEU A 86 4.153 10.936 6.274 1.00 0.00 C ATOM 1324 O LEU A 86 4.406 12.025 6.770 1.00 0.00 O ATOM 1325 CB LEU A 86 4.874 9.783 4.235 1.00 0.00 C ATOM 1326 CG LEU A 86 5.870 10.200 3.118 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.018 11.061 3.632 1.00 0.00 C ATOM 1328 CD2 LEU A 86 6.399 8.993 2.382 1.00 0.00 C ATOM 0 H LEU A 86 5.396 7.982 5.866 1.00 0.00 H new ATOM 0 HA LEU A 86 6.196 10.617 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.708 8.709 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.921 10.270 4.030 1.00 0.00 H new ATOM 0 HG LEU A 86 5.303 10.817 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.678 11.319 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.619 11.973 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.579 10.507 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.094 9.315 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.916 8.338 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.570 8.453 1.925 1.00 0.00 H new ATOM 1340 N PHE A 87 2.923 10.434 6.197 1.00 0.00 N ATOM 1341 CA PHE A 87 1.751 11.167 6.685 1.00 0.00 C ATOM 1342 C PHE A 87 1.797 11.441 8.174 1.00 0.00 C ATOM 1343 O PHE A 87 1.063 12.295 8.680 1.00 0.00 O ATOM 1344 CB PHE A 87 0.473 10.477 6.265 1.00 0.00 C ATOM 1345 CG PHE A 87 0.375 10.391 4.766 1.00 0.00 C ATOM 1346 CD1 PHE A 87 0.396 11.541 3.994 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.323 9.169 4.128 1.00 0.00 C ATOM 1348 CE1 PHE A 87 0.352 11.471 2.623 1.00 0.00 C ATOM 1349 CE2 PHE A 87 0.285 9.095 2.750 1.00 0.00 C ATOM 1350 CZ PHE A 87 0.302 10.247 2.001 1.00 0.00 C ATOM 0 H PHE A 87 2.709 9.519 5.800 1.00 0.00 H new ATOM 0 HA PHE A 87 1.771 12.149 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.438 9.475 6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.385 11.022 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.448 12.506 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.312 8.261 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.357 12.377 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.242 8.133 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.276 10.190 0.923 1.00 0.00 H new ATOM 1360 N SER A 88 2.693 10.779 8.870 1.00 0.00 N ATOM 1361 CA SER A 88 2.917 11.058 10.264 1.00 0.00 C ATOM 1362 C SER A 88 3.912 12.237 10.436 1.00 0.00 C ATOM 1363 O SER A 88 4.167 12.686 11.563 1.00 0.00 O ATOM 1364 CB SER A 88 3.412 9.818 10.946 1.00 0.00 C ATOM 1365 OG SER A 88 2.354 8.858 11.063 1.00 0.00 O ATOM 0 H SER A 88 3.281 10.039 8.487 1.00 0.00 H new ATOM 0 HA SER A 88 1.978 11.359 10.728 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.240 9.390 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.797 10.068 11.935 1.00 0.00 H new ATOM 0 HG SER A 88 2.238 8.393 10.208 1.00 0.00 H new ATOM 1371 N SER A 89 4.429 12.758 9.316 1.00 0.00 N ATOM 1372 CA SER A 89 5.331 13.884 9.301 1.00 0.00 C ATOM 1373 C SER A 89 4.635 15.064 8.603 1.00 0.00 C ATOM 1374 O SER A 89 4.439 15.033 7.386 1.00 0.00 O ATOM 1375 CB SER A 89 6.623 13.488 8.565 1.00 0.00 C ATOM 1376 OG SER A 89 7.054 12.150 8.943 1.00 0.00 O ATOM 0 H SER A 89 4.220 12.393 8.387 1.00 0.00 H new ATOM 0 HA SER A 89 5.593 14.182 10.316 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.459 13.530 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.411 14.205 8.795 1.00 0.00 H new ATOM 0 HG SER A 89 6.432 11.489 8.572 1.00 0.00 H new ATOM 1382 N TYR A 90 4.197 16.051 9.412 1.00 0.00 N ATOM 1383 CA TYR A 90 3.437 17.242 8.969 1.00 0.00 C ATOM 1384 C TYR A 90 3.676 17.589 7.495 1.00 0.00 C ATOM 1385 O TYR A 90 2.789 17.424 6.656 1.00 0.00 O ATOM 1386 CB TYR A 90 3.785 18.435 9.865 1.00 0.00 C ATOM 1387 CG TYR A 90 2.813 18.666 10.995 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.694 19.456 10.819 1.00 0.00 C ATOM 1389 CD2 TYR A 90 3.021 18.100 12.246 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.815 19.680 11.842 1.00 0.00 C ATOM 1391 CE2 TYR A 90 2.140 18.318 13.279 1.00 0.00 C ATOM 1392 CZ TYR A 90 1.040 19.108 13.074 1.00 0.00 C ATOM 1393 OH TYR A 90 0.158 19.326 14.105 1.00 0.00 O ATOM 0 H TYR A 90 4.366 16.043 10.418 1.00 0.00 H new ATOM 0 HA TYR A 90 2.377 17.005 9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.780 18.283 10.283 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.831 19.334 9.251 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.510 19.906 9.854 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.889 17.478 12.410 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.053 20.303 11.684 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.314 17.869 14.246 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.714 19.585 13.740 1.00 0.00 H new ATOM 1403 N GLY A 91 4.881 18.031 7.179 1.00 0.00 N ATOM 1404 CA GLY A 91 5.212 18.311 5.802 1.00 0.00 C ATOM 1405 C GLY A 91 5.992 17.170 5.238 1.00 0.00 C ATOM 1406 O GLY A 91 6.985 16.743 5.839 1.00 0.00 O ATOM 0 H GLY A 91 5.632 18.200 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.302 18.466 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.793 19.231 5.736 1.00 0.00 H new ATOM 1410 N ILE A 92 5.509 16.606 4.153 1.00 0.00 N ATOM 1411 CA ILE A 92 6.127 15.418 3.573 1.00 0.00 C ATOM 1412 C ILE A 92 7.621 15.613 3.297 1.00 0.00 C ATOM 1413 O ILE A 92 8.036 16.589 2.634 1.00 0.00 O ATOM 1414 CB ILE A 92 5.394 14.922 2.300 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.891 14.783 2.562 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.955 13.579 1.851 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.550 13.909 3.758 1.00 0.00 C ATOM 0 H ILE A 92 4.690 16.946 3.649 1.00 0.00 H new ATOM 0 HA ILE A 92 6.028 14.639 4.329 1.00 0.00 H new ATOM 0 HB ILE A 92 5.552 15.659 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.466 15.775 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.415 14.368 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.429 13.246 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 92 7.017 13.684 1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.821 12.845 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.468 13.861 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.943 12.905 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.995 14.334 4.658 1.00 0.00 H new ATOM 1429 N ASN A 93 8.415 14.665 3.783 1.00 0.00 N ATOM 1430 CA ASN A 93 9.872 14.677 3.599 1.00 0.00 C ATOM 1431 C ASN A 93 10.213 14.219 2.204 1.00 0.00 C ATOM 1432 O ASN A 93 9.573 13.308 1.677 1.00 0.00 O ATOM 1433 CB ASN A 93 10.597 13.764 4.613 1.00 0.00 C ATOM 1434 CG ASN A 93 9.797 13.473 5.865 1.00 0.00 C ATOM 1435 OD1 ASN A 93 9.068 12.485 5.932 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.888 14.332 6.837 1.00 0.00 N ATOM 0 H ASN A 93 8.073 13.865 4.316 1.00 0.00 H new ATOM 0 HA ASN A 93 10.208 15.701 3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.844 12.821 4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.540 14.232 4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.344 14.197 7.689 1.00 0.00 H new ATOM 0 HD22 ASN A 93 10.503 15.141 6.747 1.00 0.00 H new ATOM 1443 N ASP A 94 11.218 14.845 1.603 1.00 0.00 N ATOM 1444 CA ASP A 94 11.632 14.504 0.240 1.00 0.00 C ATOM 1445 C ASP A 94 12.148 13.056 0.121 1.00 0.00 C ATOM 1446 O ASP A 94 11.589 12.272 -0.646 1.00 0.00 O ATOM 1447 CB ASP A 94 12.656 15.526 -0.311 1.00 0.00 C ATOM 1448 CG ASP A 94 13.141 15.212 -1.696 1.00 0.00 C ATOM 1449 OD1 ASP A 94 12.367 14.712 -2.508 1.00 0.00 O ATOM 1450 OD2 ASP A 94 14.303 15.500 -1.985 1.00 0.00 O ATOM 0 H ASP A 94 11.763 15.591 2.034 1.00 0.00 H new ATOM 0 HA ASP A 94 10.739 14.562 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.202 16.517 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.512 15.568 0.363 1.00 0.00 H new ATOM 1455 N PRO A 95 13.191 12.649 0.920 1.00 0.00 N ATOM 1456 CA PRO A 95 13.712 11.262 0.885 1.00 0.00 C ATOM 1457 C PRO A 95 12.612 10.249 1.195 1.00 0.00 C ATOM 1458 O PRO A 95 12.350 9.342 0.403 1.00 0.00 O ATOM 1459 CB PRO A 95 14.792 11.238 1.985 1.00 0.00 C ATOM 1460 CG PRO A 95 15.117 12.672 2.260 1.00 0.00 C ATOM 1461 CD PRO A 95 13.877 13.462 1.951 1.00 0.00 C ATOM 0 HA PRO A 95 14.100 10.993 -0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.426 10.740 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.676 10.692 1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.414 12.809 3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.952 13.005 1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.255 13.594 2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.119 14.458 1.580 1.00 0.00 H new ATOM 1469 N GLU A 96 11.960 10.436 2.342 1.00 0.00 N ATOM 1470 CA GLU A 96 10.876 9.592 2.776 1.00 0.00 C ATOM 1471 C GLU A 96 9.806 9.487 1.691 1.00 0.00 C ATOM 1472 O GLU A 96 9.370 8.384 1.356 1.00 0.00 O ATOM 1473 CB GLU A 96 10.277 10.134 4.076 1.00 0.00 C ATOM 1474 CG GLU A 96 11.164 9.928 5.309 1.00 0.00 C ATOM 1475 CD GLU A 96 12.173 11.030 5.556 1.00 0.00 C ATOM 1476 OE1 GLU A 96 12.669 11.634 4.601 1.00 0.00 O ATOM 1477 OE2 GLU A 96 12.491 11.266 6.708 1.00 0.00 O ATOM 0 H GLU A 96 12.181 11.189 2.994 1.00 0.00 H new ATOM 0 HA GLU A 96 11.266 8.591 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.082 11.200 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.315 9.651 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.525 9.836 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.697 8.983 5.202 1.00 0.00 H new ATOM 1484 N LEU A 97 9.417 10.631 1.112 1.00 0.00 N ATOM 1485 CA LEU A 97 8.443 10.625 0.034 1.00 0.00 C ATOM 1486 C LEU A 97 8.955 9.821 -1.133 1.00 0.00 C ATOM 1487 O LEU A 97 8.252 8.948 -1.634 1.00 0.00 O ATOM 1488 CB LEU A 97 8.080 12.026 -0.438 1.00 0.00 C ATOM 1489 CG LEU A 97 7.114 12.071 -1.624 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.760 11.487 -1.259 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.971 13.470 -2.142 1.00 0.00 C ATOM 0 H LEU A 97 9.761 11.555 1.373 1.00 0.00 H new ATOM 0 HA LEU A 97 7.539 10.167 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.637 12.572 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.995 12.551 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 97 7.536 11.455 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.098 11.535 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.882 10.448 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.326 12.059 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.280 13.477 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.586 14.113 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.944 13.839 -2.468 1.00 0.00 H new ATOM 1503 N GLN A 98 10.180 10.120 -1.586 1.00 0.00 N ATOM 1504 CA GLN A 98 10.758 9.390 -2.701 1.00 0.00 C ATOM 1505 C GLN A 98 10.812 7.900 -2.408 1.00 0.00 C ATOM 1506 O GLN A 98 10.553 7.078 -3.305 1.00 0.00 O ATOM 1507 CB GLN A 98 12.113 9.954 -3.099 1.00 0.00 C ATOM 1508 CG GLN A 98 12.010 11.355 -3.678 1.00 0.00 C ATOM 1509 CD GLN A 98 10.891 11.498 -4.685 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.595 10.569 -5.454 1.00 0.00 O ATOM 1511 NE2 GLN A 98 10.248 12.625 -4.680 1.00 0.00 N ATOM 0 H GLN A 98 10.775 10.852 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 98 10.105 9.522 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.767 9.971 -2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.577 9.294 -3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.855 12.067 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.955 11.616 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 98 10.521 13.365 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.470 12.771 -5.323 1.00 0.00 H new ATOM 1520 N ARG A 99 11.054 7.550 -1.142 1.00 0.00 N ATOM 1521 CA ARG A 99 10.995 6.166 -0.712 1.00 0.00 C ATOM 1522 C ARG A 99 9.593 5.627 -1.032 1.00 0.00 C ATOM 1523 O ARG A 99 9.458 4.707 -1.842 1.00 0.00 O ATOM 1524 CB ARG A 99 11.310 6.059 0.796 1.00 0.00 C ATOM 1525 CG ARG A 99 11.311 4.652 1.368 1.00 0.00 C ATOM 1526 CD ARG A 99 12.165 3.693 0.554 1.00 0.00 C ATOM 1527 NE ARG A 99 12.263 2.384 1.207 1.00 0.00 N ATOM 1528 CZ ARG A 99 13.315 1.926 1.918 1.00 0.00 C ATOM 1529 NH1 ARG A 99 14.434 2.656 2.035 1.00 0.00 N ATOM 1530 NH2 ARG A 99 13.235 0.733 2.500 1.00 0.00 N ATOM 0 H ARG A 99 11.292 8.212 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 99 11.741 5.570 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.287 6.506 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.580 6.654 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.679 4.680 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 99 10.288 4.278 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.736 3.575 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.163 4.112 0.423 1.00 0.00 H new ATOM 0 HE ARG A 99 11.461 1.761 1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.497 3.569 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.222 2.299 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.386 0.176 2.406 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.023 0.375 3.040 1.00 0.00 H new ATOM 1544 N TRP A 100 8.552 6.314 -0.509 1.00 0.00 N ATOM 1545 CA TRP A 100 7.141 5.982 -0.805 1.00 0.00 C ATOM 1546 C TRP A 100 6.925 5.891 -2.296 1.00 0.00 C ATOM 1547 O TRP A 100 6.420 4.879 -2.799 1.00 0.00 O ATOM 1548 CB TRP A 100 6.196 7.045 -0.217 1.00 0.00 C ATOM 1549 CG TRP A 100 4.781 6.584 -0.040 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.309 5.797 0.955 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.654 6.891 -0.876 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.965 5.589 0.795 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.536 6.248 -0.314 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.481 7.642 -2.040 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.263 6.336 -0.872 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.215 7.728 -2.597 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.122 7.078 -2.009 1.00 0.00 C ATOM 0 H TRP A 100 8.665 7.106 0.124 1.00 0.00 H new ATOM 0 HA TRP A 100 6.919 5.018 -0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.585 7.365 0.750 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.202 7.919 -0.868 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.906 5.392 1.759 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.378 5.027 1.411 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.319 8.147 -2.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.418 5.836 -0.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.069 8.305 -3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.147 7.166 -2.465 1.00 0.00 H new ATOM 1568 N GLN A 101 7.344 6.949 -3.013 1.00 0.00 N ATOM 1569 CA GLN A 101 7.234 7.005 -4.471 1.00 0.00 C ATOM 1570 C GLN A 101 7.759 5.713 -5.088 1.00 0.00 C ATOM 1571 O GLN A 101 7.095 5.110 -5.922 1.00 0.00 O ATOM 1572 CB GLN A 101 7.983 8.226 -5.052 1.00 0.00 C ATOM 1573 CG GLN A 101 7.631 9.561 -4.398 1.00 0.00 C ATOM 1574 CD GLN A 101 7.133 10.582 -5.387 1.00 0.00 C ATOM 1575 OE1 GLN A 101 7.463 10.532 -6.570 1.00 0.00 O ATOM 1576 NE2 GLN A 101 6.352 11.507 -4.926 1.00 0.00 N ATOM 0 H GLN A 101 7.764 7.780 -2.597 1.00 0.00 H new ATOM 0 HA GLN A 101 6.179 7.117 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.055 8.059 -4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.770 8.292 -6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.868 9.397 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.511 9.954 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.100 11.516 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.989 12.226 -5.551 1.00 0.00 H new ATOM 1585 N LYS A 102 8.935 5.270 -4.650 1.00 0.00 N ATOM 1586 CA LYS A 102 9.493 4.026 -5.129 1.00 0.00 C ATOM 1587 C LYS A 102 8.723 2.821 -4.603 1.00 0.00 C ATOM 1588 O LYS A 102 8.381 1.934 -5.376 1.00 0.00 O ATOM 1589 CB LYS A 102 10.941 3.937 -4.769 1.00 0.00 C ATOM 1590 CG LYS A 102 11.855 4.555 -5.803 1.00 0.00 C ATOM 1591 CD LYS A 102 11.460 5.952 -6.246 1.00 0.00 C ATOM 1592 CE LYS A 102 10.543 5.927 -7.429 1.00 0.00 C ATOM 1593 NZ LYS A 102 11.017 5.041 -8.524 1.00 0.00 N ATOM 0 H LYS A 102 9.512 5.759 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 102 9.402 4.014 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.101 4.432 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.211 2.889 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.867 4.589 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.883 3.906 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.972 6.470 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.356 6.521 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.555 5.598 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.431 6.940 -7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.777 5.466 -9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.048 4.925 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.558 4.112 -8.442 1.00 0.00 H new ATOM 1607 N THR A 103 8.424 2.804 -3.298 1.00 0.00 N ATOM 1608 CA THR A 103 7.662 1.709 -2.687 1.00 0.00 C ATOM 1609 C THR A 103 6.354 1.442 -3.455 1.00 0.00 C ATOM 1610 O THR A 103 6.082 0.291 -3.831 1.00 0.00 O ATOM 1611 CB THR A 103 7.395 1.981 -1.188 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.553 2.528 -0.576 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.030 0.737 -0.401 1.00 0.00 C ATOM 0 H THR A 103 8.699 3.537 -2.645 1.00 0.00 H new ATOM 0 HA THR A 103 8.268 0.806 -2.752 1.00 0.00 H new ATOM 0 HB THR A 103 6.551 2.670 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.286 3.183 0.103 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.857 1.004 0.642 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.125 0.295 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.846 0.016 -0.460 1.00 0.00 H new ATOM 1621 N LYS A 104 5.570 2.502 -3.740 1.00 0.00 N ATOM 1622 CA LYS A 104 4.327 2.322 -4.516 1.00 0.00 C ATOM 1623 C LYS A 104 4.627 1.680 -5.871 1.00 0.00 C ATOM 1624 O LYS A 104 4.097 0.608 -6.180 1.00 0.00 O ATOM 1625 CB LYS A 104 3.494 3.632 -4.696 1.00 0.00 C ATOM 1626 CG LYS A 104 4.273 4.951 -4.645 1.00 0.00 C ATOM 1627 CD LYS A 104 3.756 5.962 -5.668 1.00 0.00 C ATOM 1628 CE LYS A 104 4.270 5.639 -7.069 1.00 0.00 C ATOM 1629 NZ LYS A 104 4.201 6.783 -7.998 1.00 0.00 N ATOM 0 H LYS A 104 5.766 3.462 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 104 3.701 1.652 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.977 3.578 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.728 3.658 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.199 5.377 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.329 4.756 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.666 5.959 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.072 6.966 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.303 5.299 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.690 4.812 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.922 6.672 -8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.258 6.819 -8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.375 7.665 -7.476 1.00 0.00 H new ATOM 1643 N GLU A 105 5.551 2.293 -6.648 1.00 0.00 N ATOM 1644 CA GLU A 105 5.960 1.717 -7.953 1.00 0.00 C ATOM 1645 C GLU A 105 6.406 0.261 -7.772 1.00 0.00 C ATOM 1646 O GLU A 105 5.942 -0.638 -8.484 1.00 0.00 O ATOM 1647 CB GLU A 105 7.102 2.530 -8.603 1.00 0.00 C ATOM 1648 CG GLU A 105 6.809 4.026 -8.818 1.00 0.00 C ATOM 1649 CD GLU A 105 5.709 4.320 -9.810 1.00 0.00 C ATOM 1650 OE1 GLU A 105 5.196 3.396 -10.456 1.00 0.00 O ATOM 1651 OE2 GLU A 105 5.350 5.489 -9.938 1.00 0.00 O ATOM 0 H GLU A 105 6.018 3.166 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 105 5.095 1.757 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.991 2.437 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.341 2.082 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.543 4.471 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.723 4.516 -9.154 1.00 0.00 H new ATOM 1658 N ARG A 106 7.273 0.052 -6.786 1.00 0.00 N ATOM 1659 CA ARG A 106 7.793 -1.262 -6.420 1.00 0.00 C ATOM 1660 C ARG A 106 6.655 -2.291 -6.281 1.00 0.00 C ATOM 1661 O ARG A 106 6.697 -3.344 -6.909 1.00 0.00 O ATOM 1662 CB ARG A 106 8.599 -1.140 -5.110 1.00 0.00 C ATOM 1663 CG ARG A 106 10.066 -0.921 -5.309 1.00 0.00 C ATOM 1664 CD ARG A 106 10.704 -0.447 -4.018 1.00 0.00 C ATOM 1665 NE ARG A 106 10.527 -1.368 -2.872 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.029 -2.613 -2.771 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.767 -3.121 -3.757 1.00 0.00 N ATOM 1668 NH2 ARG A 106 10.813 -3.318 -1.670 1.00 0.00 N ATOM 0 H ARG A 106 7.641 0.807 -6.207 1.00 0.00 H new ATOM 0 HA ARG A 106 8.451 -1.620 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.196 -0.314 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.455 -2.047 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.538 -1.847 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.228 -0.184 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.770 -0.299 -4.187 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.285 0.524 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 106 9.973 -1.027 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.954 -2.566 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.146 -4.065 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.269 -2.917 -0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.190 -4.262 -1.587 1.00 0.00 H new ATOM 1682 N LEU A 107 5.619 -1.952 -5.503 1.00 0.00 N ATOM 1683 CA LEU A 107 4.450 -2.847 -5.319 1.00 0.00 C ATOM 1684 C LEU A 107 3.807 -3.226 -6.661 1.00 0.00 C ATOM 1685 O LEU A 107 3.414 -4.390 -6.875 1.00 0.00 O ATOM 1686 CB LEU A 107 3.386 -2.178 -4.438 1.00 0.00 C ATOM 1687 CG LEU A 107 3.377 -2.581 -2.963 1.00 0.00 C ATOM 1688 CD1 LEU A 107 4.249 -1.654 -2.155 1.00 0.00 C ATOM 1689 CD2 LEU A 107 1.966 -2.572 -2.425 1.00 0.00 C ATOM 0 H LEU A 107 5.558 -1.072 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 107 4.820 -3.751 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.523 -1.098 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.405 -2.399 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 107 3.777 -3.592 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.230 -1.957 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.272 -1.700 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.876 -0.634 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.975 -2.861 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.546 -1.571 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.357 -3.278 -2.990 1.00 0.00 H new ATOM 1701 N PHE A 108 3.720 -2.254 -7.564 1.00 0.00 N ATOM 1702 CA PHE A 108 3.124 -2.463 -8.887 1.00 0.00 C ATOM 1703 C PHE A 108 3.916 -3.479 -9.648 1.00 0.00 C ATOM 1704 O PHE A 108 3.343 -4.331 -10.330 1.00 0.00 O ATOM 1705 CB PHE A 108 3.044 -1.161 -9.694 1.00 0.00 C ATOM 1706 CG PHE A 108 1.969 -0.222 -9.234 1.00 0.00 C ATOM 1707 CD1 PHE A 108 0.639 -0.455 -9.541 1.00 0.00 C ATOM 1708 CD2 PHE A 108 2.287 0.892 -8.491 1.00 0.00 C ATOM 1709 CE1 PHE A 108 -0.342 0.408 -9.111 1.00 0.00 C ATOM 1710 CE2 PHE A 108 1.315 1.755 -8.059 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.005 1.517 -8.369 1.00 0.00 C ATOM 0 H PHE A 108 4.057 -1.304 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 108 2.106 -2.823 -8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.006 -0.651 -9.638 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.874 -1.406 -10.743 1.00 0.00 H new ATOM 0 HD1 PHE A 108 0.369 -1.323 -10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 108 3.320 1.089 -8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.376 0.215 -9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 108 1.584 2.623 -7.475 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.773 2.198 -8.031 1.00 0.00 H new ATOM 1721 N ARG A 109 5.232 -3.421 -9.512 1.00 0.00 N ATOM 1722 CA ARG A 109 6.107 -4.380 -10.159 1.00 0.00 C ATOM 1723 C ARG A 109 5.686 -5.793 -9.813 1.00 0.00 C ATOM 1724 O ARG A 109 5.570 -6.643 -10.692 1.00 0.00 O ATOM 1725 CB ARG A 109 7.567 -4.155 -9.748 1.00 0.00 C ATOM 1726 CG ARG A 109 8.056 -2.720 -9.941 1.00 0.00 C ATOM 1727 CD ARG A 109 8.067 -2.287 -11.424 1.00 0.00 C ATOM 1728 NE ARG A 109 7.869 -3.403 -12.392 1.00 0.00 N ATOM 1729 CZ ARG A 109 8.761 -4.387 -12.650 1.00 0.00 C ATOM 1730 NH1 ARG A 109 9.931 -4.412 -12.006 1.00 0.00 N ATOM 1731 NH2 ARG A 109 8.474 -5.326 -13.553 1.00 0.00 N ATOM 0 H ARG A 109 5.717 -2.716 -8.957 1.00 0.00 H new ATOM 0 HA ARG A 109 6.026 -4.237 -11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.684 -4.429 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.203 -4.825 -10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.416 -2.043 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.062 -2.625 -9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.284 -1.544 -11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.017 -1.799 -11.640 1.00 0.00 H new ATOM 0 HE ARG A 109 6.987 -3.427 -12.903 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.151 -3.690 -11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.604 -5.153 -12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.583 -5.302 -14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 109 9.146 -6.068 -13.748 1.00 0.00 H new ATOM 1745 N LEU A 110 5.447 -6.040 -8.533 1.00 0.00 N ATOM 1746 CA LEU A 110 5.073 -7.325 -8.084 1.00 0.00 C ATOM 1747 C LEU A 110 3.663 -7.716 -8.517 1.00 0.00 C ATOM 1748 O LEU A 110 3.434 -8.852 -8.982 1.00 0.00 O ATOM 1749 CB LEU A 110 5.244 -7.375 -6.598 1.00 0.00 C ATOM 1750 CG LEU A 110 6.703 -7.374 -6.171 1.00 0.00 C ATOM 1751 CD1 LEU A 110 7.139 -6.007 -5.824 1.00 0.00 C ATOM 1752 CD2 LEU A 110 7.004 -8.336 -5.055 1.00 0.00 C ATOM 0 H LEU A 110 5.514 -5.339 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 110 5.723 -8.065 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.739 -6.519 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.758 -8.271 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 110 7.275 -7.726 -7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.186 -6.025 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.024 -5.357 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.530 -5.628 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.063 -8.281 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.409 -8.076 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.759 -9.350 -5.372 1.00 0.00 H new ATOM 1764 N PHE A 111 2.717 -6.788 -8.369 1.00 0.00 N ATOM 1765 CA PHE A 111 1.325 -7.049 -8.745 1.00 0.00 C ATOM 1766 C PHE A 111 1.144 -7.190 -10.256 1.00 0.00 C ATOM 1767 O PHE A 111 0.310 -7.977 -10.707 1.00 0.00 O ATOM 1768 CB PHE A 111 0.380 -5.978 -8.184 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.030 -6.240 -6.764 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.063 -7.118 -6.478 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.624 -5.618 -5.714 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.432 -7.370 -5.174 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.258 -5.866 -4.408 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.771 -6.742 -4.137 1.00 0.00 C ATOM 0 H PHE A 111 2.886 -5.855 -7.994 1.00 0.00 H new ATOM 0 HA PHE A 111 1.061 -8.007 -8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.868 -5.005 -8.241 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.511 -5.925 -8.809 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.585 -7.610 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.431 -4.930 -5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.237 -8.058 -4.964 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.777 -5.374 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.060 -6.937 -3.115 1.00 0.00 H new ATOM 1784 N SER A 112 1.913 -6.434 -11.037 1.00 0.00 N ATOM 1785 CA SER A 112 1.803 -6.455 -12.505 1.00 0.00 C ATOM 1786 C SER A 112 2.461 -7.680 -13.183 1.00 0.00 C ATOM 1787 O SER A 112 2.608 -7.695 -14.412 1.00 0.00 O ATOM 1788 CB SER A 112 2.305 -5.147 -13.117 1.00 0.00 C ATOM 1789 OG SER A 112 1.874 -4.025 -12.335 1.00 0.00 O ATOM 0 H SER A 112 2.624 -5.795 -10.681 1.00 0.00 H new ATOM 0 HA SER A 112 0.737 -6.555 -12.709 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.393 -5.160 -13.174 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.933 -5.050 -14.137 1.00 0.00 H new ATOM 0 HG SER A 112 2.557 -3.812 -11.665 1.00 0.00 H new ATOM 1795 N GLY A 113 2.772 -8.737 -12.422 1.00 0.00 N ATOM 1796 CA GLY A 113 3.284 -9.935 -13.064 1.00 0.00 C ATOM 1797 C GLY A 113 4.552 -10.523 -12.526 1.00 0.00 C ATOM 1798 O GLY A 113 5.161 -11.340 -13.217 1.00 0.00 O ATOM 0 H GLY A 113 2.681 -8.782 -11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.510 -10.701 -13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.439 -9.710 -14.119 1.00 0.00 H new ATOM 1802 N GLU A 114 4.867 -10.306 -11.244 1.00 0.00 N ATOM 1803 CA GLU A 114 5.946 -11.077 -10.655 1.00 0.00 C ATOM 1804 C GLU A 114 5.343 -12.436 -10.308 1.00 0.00 C ATOM 1805 O GLU A 114 5.356 -13.354 -11.125 1.00 0.00 O ATOM 1806 CB GLU A 114 6.541 -10.406 -9.405 1.00 0.00 C ATOM 1807 CG GLU A 114 7.359 -9.147 -9.688 1.00 0.00 C ATOM 1808 CD GLU A 114 8.703 -9.439 -10.275 1.00 0.00 C ATOM 1809 OE1 GLU A 114 9.611 -9.787 -9.524 1.00 0.00 O ATOM 1810 OE2 GLU A 114 8.858 -9.320 -11.486 1.00 0.00 O ATOM 0 H GLU A 114 4.411 -9.635 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 114 6.777 -11.162 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.729 -10.150 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.175 -11.127 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.802 -8.506 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.488 -8.589 -8.761 1.00 0.00 H new ATOM 1817 N TYR A 115 4.672 -12.506 -9.158 1.00 0.00 N ATOM 1818 CA TYR A 115 3.904 -13.693 -8.785 1.00 0.00 C ATOM 1819 C TYR A 115 2.448 -13.606 -9.264 1.00 0.00 C ATOM 1820 O TYR A 115 1.860 -14.598 -9.691 1.00 0.00 O ATOM 1821 CB TYR A 115 3.897 -13.996 -7.268 1.00 0.00 C ATOM 1822 CG TYR A 115 4.833 -13.196 -6.393 1.00 0.00 C ATOM 1823 CD1 TYR A 115 4.662 -11.828 -6.205 1.00 0.00 C ATOM 1824 CD2 TYR A 115 5.873 -13.820 -5.733 1.00 0.00 C ATOM 1825 CE1 TYR A 115 5.505 -11.120 -5.395 1.00 0.00 C ATOM 1826 CE2 TYR A 115 6.712 -13.119 -4.914 1.00 0.00 C ATOM 1827 CZ TYR A 115 6.529 -11.771 -4.752 1.00 0.00 C ATOM 1828 OH TYR A 115 7.355 -11.076 -3.933 1.00 0.00 O ATOM 0 H TYR A 115 4.645 -11.754 -8.469 1.00 0.00 H new ATOM 0 HA TYR A 115 4.423 -14.509 -9.287 1.00 0.00 H new ATOM 0 HB2 TYR A 115 2.882 -13.846 -6.900 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.132 -15.052 -7.135 1.00 0.00 H new ATOM 0 HD1 TYR A 115 3.852 -11.319 -6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.026 -14.881 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.367 -10.057 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.515 -13.624 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 115 8.106 -10.720 -4.452 1.00 0.00 H new ATOM 1838 N ILE A 116 1.825 -12.452 -8.965 1.00 0.00 N ATOM 1839 CA ILE A 116 0.377 -12.229 -9.115 1.00 0.00 C ATOM 1840 C ILE A 116 -0.257 -12.810 -10.391 1.00 0.00 C ATOM 1841 O ILE A 116 -1.188 -13.614 -10.288 1.00 0.00 O ATOM 1842 CB ILE A 116 0.003 -10.722 -8.944 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.462 -10.194 -7.573 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -1.490 -10.509 -9.099 1.00 0.00 C ATOM 1845 CD1 ILE A 116 0.034 -11.059 -6.406 1.00 0.00 C ATOM 0 H ILE A 116 2.322 -11.636 -8.607 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.061 -12.804 -8.299 1.00 0.00 H new ATOM 0 HB ILE A 116 0.519 -10.167 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.549 -10.112 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.066 -9.188 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.721 -9.451 -8.975 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.803 -10.835 -10.091 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.021 -11.087 -8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.396 -10.620 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.054 -11.121 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.452 -12.059 -6.522 1.00 0.00 H new ATOM 1857 N SER A 117 0.181 -12.375 -11.569 1.00 0.00 N ATOM 1858 CA SER A 117 -0.430 -12.850 -12.818 1.00 0.00 C ATOM 1859 C SER A 117 -0.504 -14.380 -12.873 1.00 0.00 C ATOM 1860 O SER A 117 -1.559 -14.938 -13.169 1.00 0.00 O ATOM 1861 CB SER A 117 0.292 -12.293 -14.015 1.00 0.00 C ATOM 1862 OG SER A 117 0.623 -10.918 -13.810 1.00 0.00 O ATOM 0 H SER A 117 0.942 -11.707 -11.691 1.00 0.00 H new ATOM 0 HA SER A 117 -1.455 -12.481 -12.841 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.200 -12.867 -14.198 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.333 -12.393 -14.902 1.00 0.00 H new ATOM 0 HG SER A 117 1.093 -10.574 -14.598 1.00 0.00 H new