USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 960 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.9) USER MOD Single : A 13 ASN :FLIP amide:sc= -12.5! C(o=-13!,f=-12!) USER MOD Single : A 15 ASN :FLIP amide:sc= -2.8! C(o=-4.2!,f=-2.8!) USER MOD Single : A 16 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.97) USER MOD Single : A 21 THR OG1 : rot 130:sc= 0.866 USER MOD Single : A 31 ASN : amide:sc= -0.953 X(o=-0.95,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.0186 (180deg=-0.33) USER MOD Single : A 42 MET CE :methyl -119:sc= -1.08 (180deg=-3.04!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 48 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.3!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 55:sc= 0.0183 USER MOD Single : A 63 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.9) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -18.3! C(o=-20!,f=-18!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.042 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.477 USER MOD Single : A 79 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.49) USER MOD Single : A 81 THR OG1 : rot -158:sc= -1.38 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0333 F(o=-0.57,f=-0.033) USER MOD Single : A 105 MET CE :methyl -111:sc= -4.04 (180deg=-9.44!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.392 USER MOD Single : A 111 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.8!) USER MOD Single : A 119 ASN : amide:sc= -2.68 K(o=-2.7,f=-5.4!) USER MOD Single : A 125 LYS NZ :NH3+ 136:sc= -0.855 (180deg=-2.41!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.761 -18.529 -0.825 1.00 0.00 N ATOM 43 CA LYS A 3 -5.633 -17.663 -0.504 1.00 0.00 C ATOM 44 C LYS A 3 -5.669 -16.392 -1.347 1.00 0.00 C ATOM 45 O LYS A 3 -5.972 -16.440 -2.539 1.00 0.00 O ATOM 46 CB LYS A 3 -4.313 -18.402 -0.726 1.00 0.00 C ATOM 47 CG LYS A 3 -4.100 -18.856 -2.161 1.00 0.00 C ATOM 48 CD LYS A 3 -3.336 -17.819 -2.969 1.00 0.00 C ATOM 49 CE LYS A 3 -3.732 -17.853 -4.436 1.00 0.00 C ATOM 50 NZ LYS A 3 -3.878 -16.485 -5.005 1.00 0.00 N ATOM 0 HA LYS A 3 -5.709 -17.383 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.489 -17.751 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.279 -19.272 -0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.553 -19.799 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.065 -19.045 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.528 -16.826 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.265 -18.000 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.980 -18.403 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.672 -18.394 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.149 -16.553 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.613 -15.968 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.974 -15.977 -4.924 1.00 0.00 H new ATOM 64 N LEU A 4 -5.356 -15.256 -0.728 1.00 0.00 N ATOM 65 CA LEU A 4 -5.349 -13.978 -1.430 1.00 0.00 C ATOM 66 C LEU A 4 -4.282 -13.047 -0.851 1.00 0.00 C ATOM 67 O LEU A 4 -4.301 -12.753 0.343 1.00 0.00 O ATOM 68 CB LEU A 4 -6.729 -13.326 -1.325 1.00 0.00 C ATOM 69 CG LEU A 4 -7.113 -12.841 0.075 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.671 -11.401 0.289 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.614 -12.980 0.290 1.00 0.00 C ATOM 0 H LEU A 4 -5.104 -15.196 0.259 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.112 -14.157 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.766 -12.478 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.479 -14.042 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.599 -13.464 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.955 -11.078 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.589 -11.332 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.152 -10.759 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.872 -12.631 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.145 -12.382 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.901 -14.026 0.185 1.00 0.00 H new ATOM 83 N GLN A 5 -3.351 -12.581 -1.684 1.00 0.00 N ATOM 84 CA GLN A 5 -2.294 -11.689 -1.219 1.00 0.00 C ATOM 85 C GLN A 5 -2.575 -10.244 -1.605 1.00 0.00 C ATOM 86 O GLN A 5 -3.235 -9.968 -2.604 1.00 0.00 O ATOM 87 CB GLN A 5 -0.958 -12.098 -1.827 1.00 0.00 C ATOM 88 CG GLN A 5 -0.677 -13.580 -1.704 1.00 0.00 C ATOM 89 CD GLN A 5 0.735 -13.948 -2.119 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.474 -14.571 -1.358 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.113 -13.562 -3.332 1.00 0.00 N ATOM 0 H GLN A 5 -3.309 -12.806 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.258 -11.767 -0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.944 -11.818 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.158 -11.541 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.840 -13.892 -0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.387 -14.132 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.465 -13.047 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.051 -13.780 -3.667 1.00 0.00 H new ATOM 100 N ILE A 6 -2.054 -9.327 -0.808 1.00 0.00 N ATOM 101 CA ILE A 6 -2.212 -7.902 -1.047 1.00 0.00 C ATOM 102 C ILE A 6 -0.955 -7.184 -0.558 1.00 0.00 C ATOM 103 O ILE A 6 -0.432 -7.518 0.503 1.00 0.00 O ATOM 104 CB ILE A 6 -3.472 -7.348 -0.337 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.698 -7.542 -1.228 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.308 -5.876 0.018 1.00 0.00 C ATOM 107 CD1 ILE A 6 -4.664 -6.701 -2.488 1.00 0.00 C ATOM 0 H ILE A 6 -1.508 -9.550 0.025 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.345 -7.729 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.609 -7.902 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.775 -8.594 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.594 -7.295 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.210 -5.519 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.454 -5.756 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.142 -5.299 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.564 -6.887 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.618 -5.646 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.786 -6.964 -3.078 1.00 0.00 H new ATOM 119 N ALA A 7 -0.482 -6.180 -1.289 1.00 0.00 N ATOM 120 CA ALA A 7 0.686 -5.424 -0.857 1.00 0.00 C ATOM 121 C ALA A 7 0.322 -3.955 -0.850 1.00 0.00 C ATOM 122 O ALA A 7 -0.456 -3.538 -1.687 1.00 0.00 O ATOM 123 CB ALA A 7 1.873 -5.685 -1.776 1.00 0.00 C ATOM 0 H ALA A 7 -0.885 -5.874 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 7 0.981 -5.738 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.733 -5.109 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.118 -6.747 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.619 -5.386 -2.793 1.00 0.00 H new ATOM 129 N VAL A 8 0.849 -3.158 0.070 1.00 0.00 N ATOM 130 CA VAL A 8 0.509 -1.738 0.089 1.00 0.00 C ATOM 131 C VAL A 8 1.705 -0.896 0.509 1.00 0.00 C ATOM 132 O VAL A 8 2.601 -1.374 1.200 1.00 0.00 O ATOM 133 CB VAL A 8 -0.708 -1.446 1.007 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.047 -2.652 1.871 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.473 -0.215 1.876 1.00 0.00 C ATOM 0 H VAL A 8 1.498 -3.458 0.797 1.00 0.00 H new ATOM 0 HA VAL A 8 0.230 -1.463 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.559 -1.240 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.903 -2.417 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.290 -3.501 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.191 -2.903 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.346 -0.042 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.402 -0.376 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.307 0.654 1.239 1.00 0.00 H new ATOM 145 N GLY A 9 1.727 0.355 0.073 1.00 0.00 N ATOM 146 CA GLY A 9 2.839 1.214 0.414 1.00 0.00 C ATOM 147 C GLY A 9 2.486 2.683 0.507 1.00 0.00 C ATOM 148 O GLY A 9 1.667 3.195 -0.254 1.00 0.00 O ATOM 0 H GLY A 9 1.004 0.785 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.253 0.891 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.623 1.087 -0.333 1.00 0.00 H new ATOM 152 N ILE A 10 3.158 3.363 1.426 1.00 0.00 N ATOM 153 CA ILE A 10 2.990 4.784 1.631 1.00 0.00 C ATOM 154 C ILE A 10 4.087 5.503 0.864 1.00 0.00 C ATOM 155 O ILE A 10 5.263 5.265 1.120 1.00 0.00 O ATOM 156 CB ILE A 10 3.106 5.140 3.126 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.081 4.201 3.844 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.744 5.098 3.798 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.560 4.731 5.178 1.00 0.00 C ATOM 0 H ILE A 10 3.839 2.935 2.052 1.00 0.00 H new ATOM 0 HA ILE A 10 2.003 5.085 1.281 1.00 0.00 H new ATOM 0 HB ILE A 10 3.497 6.155 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.597 3.237 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.944 4.026 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.851 5.353 4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.079 5.815 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.324 4.096 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.247 4.014 5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.073 5.681 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.706 4.880 5.838 1.00 0.00 H new ATOM 171 N ILE A 11 3.724 6.362 -0.084 1.00 0.00 N ATOM 172 CA ILE A 11 4.736 7.060 -0.871 1.00 0.00 C ATOM 173 C ILE A 11 5.264 8.294 -0.154 1.00 0.00 C ATOM 174 O ILE A 11 4.553 9.270 0.051 1.00 0.00 O ATOM 175 CB ILE A 11 4.243 7.470 -2.273 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.223 6.470 -2.816 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.421 7.587 -3.229 1.00 0.00 C ATOM 178 CD1 ILE A 11 1.909 7.118 -3.151 1.00 0.00 C ATOM 0 H ILE A 11 2.759 6.589 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 11 5.542 6.336 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 11 3.753 8.440 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.627 5.991 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.060 5.684 -2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.061 7.877 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.116 8.342 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.931 6.626 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.219 6.365 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.489 7.574 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.065 7.885 -3.909 1.00 0.00 H new ATOM 190 N ARG A 12 6.526 8.203 0.226 1.00 0.00 N ATOM 191 CA ARG A 12 7.219 9.279 0.942 1.00 0.00 C ATOM 192 C ARG A 12 7.723 10.337 -0.034 1.00 0.00 C ATOM 193 O ARG A 12 8.054 10.024 -1.178 1.00 0.00 O ATOM 194 CB ARG A 12 8.392 8.719 1.748 1.00 0.00 C ATOM 195 CG ARG A 12 8.100 8.587 3.236 1.00 0.00 C ATOM 196 CD ARG A 12 9.100 9.369 4.073 1.00 0.00 C ATOM 197 NE ARG A 12 10.377 8.671 4.195 1.00 0.00 N ATOM 198 CZ ARG A 12 11.524 9.270 4.508 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.560 10.577 4.733 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.640 8.559 4.597 1.00 0.00 N ATOM 0 H ARG A 12 7.107 7.383 0.050 1.00 0.00 H new ATOM 0 HA ARG A 12 6.508 9.741 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.661 7.740 1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.258 9.367 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.092 8.946 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.129 7.535 3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.264 10.348 3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.685 9.541 5.066 1.00 0.00 H new ATOM 0 HE ARG A 12 10.391 7.664 4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.705 11.130 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.442 11.029 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.619 7.554 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.519 9.017 4.837 1.00 0.00 H new ATOM 214 N ASN A 13 7.817 11.584 0.430 1.00 0.00 N ATOM 215 CA ASN A 13 8.319 12.672 -0.405 1.00 0.00 C ATOM 216 C ASN A 13 9.352 13.523 0.332 1.00 0.00 C ATOM 217 O ASN A 13 9.765 13.217 1.451 1.00 0.00 O ATOM 218 CB ASN A 13 7.181 13.560 -0.913 1.00 0.00 C ATOM 219 CG ASN A 13 6.169 13.896 0.157 1.00 0.00 C ATOM 220 OD1 ASN A 13 6.596 14.636 1.171 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 5.013 13.495 0.075 1.00 0.00 N flip ATOM 0 H ASN A 13 7.553 11.863 1.375 1.00 0.00 H new ATOM 0 HA ASN A 13 8.807 12.207 -1.262 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.600 14.484 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.676 13.057 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.725 12.928 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.339 13.729 0.804 1.00 0.00 H new ATOM 228 N GLU A 14 9.739 14.607 -0.325 1.00 0.00 N ATOM 229 CA GLU A 14 10.700 15.561 0.203 1.00 0.00 C ATOM 230 C GLU A 14 10.345 15.985 1.622 1.00 0.00 C ATOM 231 O GLU A 14 11.163 15.922 2.538 1.00 0.00 O ATOM 232 CB GLU A 14 10.728 16.790 -0.705 1.00 0.00 C ATOM 233 CG GLU A 14 11.581 17.934 -0.178 1.00 0.00 C ATOM 234 CD GLU A 14 10.752 19.116 0.286 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.656 18.890 0.842 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.198 20.266 0.094 1.00 0.00 O ATOM 0 H GLU A 14 9.389 14.851 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 14 11.680 15.084 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.101 16.495 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.708 17.147 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.191 17.575 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.267 18.261 -0.960 1.00 0.00 H new ATOM 243 N ASN A 15 9.124 16.453 1.762 1.00 0.00 N ATOM 244 CA ASN A 15 8.607 16.950 3.037 1.00 0.00 C ATOM 245 C ASN A 15 8.583 15.884 4.137 1.00 0.00 C ATOM 246 O ASN A 15 8.382 16.210 5.306 1.00 0.00 O ATOM 247 CB ASN A 15 7.202 17.520 2.835 1.00 0.00 C ATOM 248 CG ASN A 15 6.775 18.431 3.969 1.00 0.00 C ATOM 249 OD1 ASN A 15 5.695 19.173 3.757 1.00 0.00 O flip ATOM 250 ND2 ASN A 15 7.409 18.468 5.023 1.00 0.00 N flip ATOM 0 H ASN A 15 8.452 16.504 0.997 1.00 0.00 H new ATOM 0 HA ASN A 15 9.290 17.730 3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.170 18.074 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.490 16.699 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.234 17.880 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.110 19.087 5.777 1.00 0.00 H new ATOM 257 N ASN A 16 8.764 14.616 3.765 1.00 0.00 N ATOM 258 CA ASN A 16 8.742 13.509 4.734 1.00 0.00 C ATOM 259 C ASN A 16 7.306 13.069 5.028 1.00 0.00 C ATOM 260 O ASN A 16 7.054 12.263 5.928 1.00 0.00 O ATOM 261 CB ASN A 16 9.459 13.887 6.033 1.00 0.00 C ATOM 262 CG ASN A 16 10.509 12.868 6.429 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.201 11.848 7.045 1.00 0.00 O ATOM 264 ND2 ASN A 16 11.761 13.142 6.080 1.00 0.00 N ATOM 0 H ASN A 16 8.928 14.326 2.801 1.00 0.00 H new ATOM 0 HA ASN A 16 9.277 12.672 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.930 14.863 5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.727 13.981 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.511 12.495 6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.972 14.000 5.570 1.00 0.00 H new ATOM 271 N GLU A 17 6.373 13.583 4.240 1.00 0.00 N ATOM 272 CA GLU A 17 4.966 13.235 4.373 1.00 0.00 C ATOM 273 C GLU A 17 4.578 12.387 3.168 1.00 0.00 C ATOM 274 O GLU A 17 5.126 12.580 2.093 1.00 0.00 O ATOM 275 CB GLU A 17 4.100 14.494 4.449 1.00 0.00 C ATOM 276 CG GLU A 17 4.860 15.754 4.841 1.00 0.00 C ATOM 277 CD GLU A 17 4.057 17.017 4.594 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.848 17.365 3.413 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.639 17.657 5.582 1.00 0.00 O ATOM 0 H GLU A 17 6.569 14.250 3.494 1.00 0.00 H new ATOM 0 HA GLU A 17 4.804 12.676 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.628 14.655 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.300 14.327 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.129 15.699 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.791 15.803 4.277 1.00 0.00 H new ATOM 286 N ILE A 18 3.728 11.386 3.349 1.00 0.00 N ATOM 287 CA ILE A 18 3.414 10.485 2.261 1.00 0.00 C ATOM 288 C ILE A 18 2.039 10.718 1.628 1.00 0.00 C ATOM 289 O ILE A 18 1.002 10.639 2.286 1.00 0.00 O ATOM 290 CB ILE A 18 3.538 9.018 2.749 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.170 8.349 2.941 1.00 0.00 C ATOM 292 CG2 ILE A 18 4.340 8.940 4.041 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.540 7.879 1.648 1.00 0.00 C ATOM 0 H ILE A 18 3.252 11.183 4.228 1.00 0.00 H new ATOM 0 HA ILE A 18 4.139 10.691 1.473 1.00 0.00 H new ATOM 0 HB ILE A 18 4.066 8.473 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.282 7.497 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.496 9.053 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.412 7.901 4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.341 9.338 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.842 9.525 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.576 7.417 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.396 8.731 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.194 7.151 1.168 1.00 0.00 H new ATOM 305 N PHE A 19 2.059 11.018 0.331 1.00 0.00 N ATOM 306 CA PHE A 19 0.840 11.267 -0.424 1.00 0.00 C ATOM 307 C PHE A 19 -0.082 10.044 -0.430 1.00 0.00 C ATOM 308 O PHE A 19 0.165 9.062 -1.131 1.00 0.00 O ATOM 309 CB PHE A 19 1.189 11.685 -1.867 1.00 0.00 C ATOM 310 CG PHE A 19 0.471 10.901 -2.934 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.905 10.991 -3.074 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.172 10.063 -3.784 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.566 10.260 -4.042 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.515 9.331 -4.754 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.856 9.429 -4.883 1.00 0.00 C ATOM 0 H PHE A 19 2.914 11.094 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 19 0.303 12.079 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.956 12.743 -1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.263 11.575 -2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.467 11.640 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.245 9.981 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.639 10.339 -4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.074 8.682 -5.412 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.371 8.857 -5.640 1.00 0.00 H new ATOM 325 N ILE A 20 -1.158 10.133 0.334 1.00 0.00 N ATOM 326 CA ILE A 20 -2.145 9.070 0.399 1.00 0.00 C ATOM 327 C ILE A 20 -3.426 9.552 -0.271 1.00 0.00 C ATOM 328 O ILE A 20 -3.612 10.756 -0.454 1.00 0.00 O ATOM 329 CB ILE A 20 -2.474 8.643 1.846 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.842 9.595 2.862 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.014 7.218 2.099 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.334 9.384 4.277 1.00 0.00 C ATOM 0 H ILE A 20 -1.370 10.939 0.923 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.725 8.202 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.556 8.689 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.759 9.470 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.050 10.622 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.254 6.935 3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.520 6.544 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.937 7.151 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.843 10.094 4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.412 9.538 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.102 8.368 4.595 1.00 0.00 H new ATOM 344 N THR A 21 -4.312 8.635 -0.628 1.00 0.00 N ATOM 345 CA THR A 21 -5.564 9.024 -1.262 1.00 0.00 C ATOM 346 C THR A 21 -6.456 9.725 -0.243 1.00 0.00 C ATOM 347 O THR A 21 -6.499 9.333 0.920 1.00 0.00 O ATOM 348 CB THR A 21 -6.277 7.799 -1.837 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.639 6.902 -0.804 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.439 7.032 -2.837 1.00 0.00 C ATOM 0 H THR A 21 -4.192 7.631 -0.493 1.00 0.00 H new ATOM 0 HA THR A 21 -5.348 9.709 -2.082 1.00 0.00 H new ATOM 0 HB THR A 21 -7.156 8.190 -2.349 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.584 6.661 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.005 6.176 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.182 7.684 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.526 6.683 -2.355 1.00 0.00 H new ATOM 358 N ARG A 22 -7.148 10.776 -0.672 1.00 0.00 N ATOM 359 CA ARG A 22 -8.014 11.529 0.231 1.00 0.00 C ATOM 360 C ARG A 22 -9.360 11.832 -0.414 1.00 0.00 C ATOM 361 O ARG A 22 -9.512 12.829 -1.120 1.00 0.00 O ATOM 362 CB ARG A 22 -7.333 12.833 0.650 1.00 0.00 C ATOM 363 CG ARG A 22 -8.106 13.612 1.703 1.00 0.00 C ATOM 364 CD ARG A 22 -7.769 13.140 3.109 1.00 0.00 C ATOM 365 NE ARG A 22 -7.390 14.248 3.983 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.336 14.160 5.310 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.637 13.020 5.920 1.00 0.00 N ATOM 368 NH2 ARG A 22 -6.982 15.217 6.031 1.00 0.00 N ATOM 0 H ARG A 22 -7.127 11.124 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.191 10.914 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.339 12.607 1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.199 13.462 -0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.878 14.674 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.176 13.499 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.629 12.622 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.953 12.419 3.063 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.153 15.141 3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.912 12.205 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.594 12.959 6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.752 16.096 5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.941 15.150 7.048 1.00 0.00 H new ATOM 493 N ASN A 31 -13.890 7.189 2.759 1.00 0.00 N ATOM 494 CA ASN A 31 -13.303 6.083 3.509 1.00 0.00 C ATOM 495 C ASN A 31 -12.350 5.269 2.636 1.00 0.00 C ATOM 496 O ASN A 31 -12.121 4.087 2.889 1.00 0.00 O ATOM 497 CB ASN A 31 -14.405 5.177 4.062 1.00 0.00 C ATOM 498 CG ASN A 31 -14.109 4.701 5.471 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.712 5.170 6.436 1.00 0.00 O ATOM 500 ND2 ASN A 31 -13.177 3.763 5.596 1.00 0.00 N ATOM 0 HA ASN A 31 -12.733 6.503 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.352 5.716 4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.525 4.314 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.936 3.403 6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.702 3.402 4.768 1.00 0.00 H new ATOM 507 N LYS A 32 -11.795 5.907 1.607 1.00 0.00 N ATOM 508 CA LYS A 32 -10.869 5.237 0.702 1.00 0.00 C ATOM 509 C LYS A 32 -9.469 5.827 0.805 1.00 0.00 C ATOM 510 O LYS A 32 -8.684 5.763 -0.139 1.00 0.00 O ATOM 511 CB LYS A 32 -11.370 5.316 -0.740 1.00 0.00 C ATOM 512 CG LYS A 32 -11.104 4.053 -1.546 1.00 0.00 C ATOM 513 CD LYS A 32 -12.269 3.719 -2.463 1.00 0.00 C ATOM 514 CE LYS A 32 -12.050 2.398 -3.183 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.462 2.469 -4.613 1.00 0.00 N ATOM 0 H LYS A 32 -11.972 6.886 1.381 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.818 4.190 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.442 5.514 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.893 6.161 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.199 4.183 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.923 3.219 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.189 3.669 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.398 4.517 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.997 2.122 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.615 1.613 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.297 1.549 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.473 2.708 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.905 3.200 -5.099 1.00 0.00 H new ATOM 529 N LEU A 33 -9.170 6.394 1.962 1.00 0.00 N ATOM 530 CA LEU A 33 -7.865 7.000 2.219 1.00 0.00 C ATOM 531 C LEU A 33 -6.782 5.924 2.304 1.00 0.00 C ATOM 532 O LEU A 33 -6.163 5.738 3.350 1.00 0.00 O ATOM 533 CB LEU A 33 -7.916 7.802 3.525 1.00 0.00 C ATOM 534 CG LEU A 33 -6.884 8.924 3.661 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.942 9.533 5.052 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.486 8.405 3.367 1.00 0.00 C ATOM 0 H LEU A 33 -9.818 6.450 2.748 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.620 7.670 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.911 8.236 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.785 7.111 4.358 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.122 9.699 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.202 10.329 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.936 9.943 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.729 8.764 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.767 9.218 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.237 7.610 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.449 8.014 2.350 1.00 0.00 H new ATOM 548 N GLU A 34 -6.566 5.210 1.199 1.00 0.00 N ATOM 549 CA GLU A 34 -5.575 4.136 1.163 1.00 0.00 C ATOM 550 C GLU A 34 -4.359 4.494 0.316 1.00 0.00 C ATOM 551 O GLU A 34 -4.264 5.588 -0.240 1.00 0.00 O ATOM 552 CB GLU A 34 -6.210 2.848 0.635 1.00 0.00 C ATOM 553 CG GLU A 34 -5.838 1.610 1.437 1.00 0.00 C ATOM 554 CD GLU A 34 -6.144 0.322 0.697 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.281 0.367 -0.543 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.247 -0.733 1.359 1.00 0.00 O ATOM 0 H GLU A 34 -7.062 5.356 0.320 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.230 3.987 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.294 2.960 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.908 2.703 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.775 1.643 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.379 1.618 2.383 1.00 0.00 H new ATOM 563 N PHE A 35 -3.426 3.550 0.243 1.00 0.00 N ATOM 564 CA PHE A 35 -2.190 3.723 -0.513 1.00 0.00 C ATOM 565 C PHE A 35 -2.050 2.670 -1.618 1.00 0.00 C ATOM 566 O PHE A 35 -2.771 1.673 -1.634 1.00 0.00 O ATOM 567 CB PHE A 35 -0.975 3.635 0.427 1.00 0.00 C ATOM 568 CG PHE A 35 -1.317 3.500 1.888 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.958 2.367 2.365 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.994 4.505 2.780 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.269 2.244 3.706 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.302 4.389 4.122 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.941 3.256 4.585 1.00 0.00 C ATOM 0 H PHE A 35 -3.505 2.644 0.706 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.229 4.708 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.365 2.782 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.363 4.527 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.217 1.572 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.494 5.393 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.768 1.357 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.043 5.183 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.184 3.162 5.633 1.00 0.00 H new ATOM 583 N PRO A 36 -1.080 2.866 -2.535 1.00 0.00 N ATOM 584 CA PRO A 36 -0.789 1.929 -3.630 1.00 0.00 C ATOM 585 C PRO A 36 -0.697 0.491 -3.127 1.00 0.00 C ATOM 586 O PRO A 36 -0.657 0.258 -1.920 1.00 0.00 O ATOM 587 CB PRO A 36 0.574 2.393 -4.171 1.00 0.00 C ATOM 588 CG PRO A 36 1.070 3.415 -3.202 1.00 0.00 C ATOM 589 CD PRO A 36 -0.152 4.006 -2.563 1.00 0.00 C ATOM 0 HA PRO A 36 -1.573 1.932 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.269 1.557 -4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.474 2.817 -5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.720 2.961 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.655 4.182 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.056 4.384 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.550 4.839 -3.142 1.00 0.00 H new ATOM 597 N GLY A 37 -0.665 -0.476 -4.047 1.00 0.00 N ATOM 598 CA GLY A 37 -0.578 -1.865 -3.631 1.00 0.00 C ATOM 599 C GLY A 37 -1.884 -2.632 -3.716 1.00 0.00 C ATOM 600 O GLY A 37 -2.395 -3.151 -2.723 1.00 0.00 O ATOM 0 H GLY A 37 -0.697 -0.324 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.165 -2.370 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.217 -1.901 -2.603 1.00 0.00 H new ATOM 604 N GLY A 38 -2.401 -2.705 -4.917 1.00 0.00 N ATOM 605 CA GLY A 38 -3.636 -3.424 -5.175 1.00 0.00 C ATOM 606 C GLY A 38 -3.539 -4.292 -6.420 1.00 0.00 C ATOM 607 O GLY A 38 -3.524 -3.766 -7.533 1.00 0.00 O ATOM 0 H GLY A 38 -1.986 -2.273 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.878 -4.049 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.453 -2.712 -5.292 1.00 0.00 H new ATOM 611 N LYS A 39 -3.467 -5.624 -6.227 1.00 0.00 N ATOM 612 CA LYS A 39 -3.366 -6.594 -7.331 1.00 0.00 C ATOM 613 C LYS A 39 -2.002 -7.283 -7.348 1.00 0.00 C ATOM 614 O LYS A 39 -1.677 -7.998 -8.296 1.00 0.00 O ATOM 615 CB LYS A 39 -3.622 -5.945 -8.696 1.00 0.00 C ATOM 616 CG LYS A 39 -3.650 -6.944 -9.841 1.00 0.00 C ATOM 617 CD LYS A 39 -4.853 -6.728 -10.746 1.00 0.00 C ATOM 618 CE LYS A 39 -6.136 -7.217 -10.092 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.147 -8.697 -9.928 1.00 0.00 N ATOM 0 H LYS A 39 -3.477 -6.055 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.141 -7.339 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.572 -5.412 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.847 -5.203 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.734 -6.854 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.674 -7.957 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.945 -5.668 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.700 -7.254 -11.688 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.250 -6.743 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.990 -6.912 -10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.998 -9.090 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.300 -9.102 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.150 -8.934 -8.915 1.00 0.00 H new ATOM 633 N ILE A 40 -1.206 -7.077 -6.301 1.00 0.00 N ATOM 634 CA ILE A 40 0.115 -7.701 -6.224 1.00 0.00 C ATOM 635 C ILE A 40 -0.007 -9.212 -6.314 1.00 0.00 C ATOM 636 O ILE A 40 0.866 -9.900 -6.844 1.00 0.00 O ATOM 637 CB ILE A 40 0.871 -7.326 -4.924 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.529 -8.283 -3.768 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.570 -5.889 -4.534 1.00 0.00 C ATOM 640 CD1 ILE A 40 1.739 -8.738 -2.986 1.00 0.00 C ATOM 0 H ILE A 40 -1.448 -6.490 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 40 0.691 -7.322 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 40 1.938 -7.423 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.167 -7.788 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.016 -9.157 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.108 -5.640 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.887 -5.221 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.501 -5.774 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.425 -9.410 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.426 -9.261 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.241 -7.872 -2.555 1.00 0.00 H new ATOM 652 N GLU A 41 -1.101 -9.704 -5.764 1.00 0.00 N ATOM 653 CA GLU A 41 -1.386 -11.126 -5.730 1.00 0.00 C ATOM 654 C GLU A 41 -1.310 -11.735 -7.127 1.00 0.00 C ATOM 655 O GLU A 41 -0.218 -11.964 -7.641 1.00 0.00 O ATOM 656 CB GLU A 41 -2.759 -11.367 -5.095 1.00 0.00 C ATOM 657 CG GLU A 41 -3.812 -10.338 -5.497 1.00 0.00 C ATOM 658 CD GLU A 41 -5.113 -10.971 -5.953 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.100 -11.676 -6.985 1.00 0.00 O ATOM 660 OE2 GLU A 41 -6.143 -10.761 -5.280 1.00 0.00 O ATOM 0 H GLU A 41 -1.819 -9.127 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.629 -11.619 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.109 -12.360 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.654 -11.361 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.011 -9.680 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.416 -9.715 -6.299 1.00 0.00 H new ATOM 667 N MET A 42 -2.465 -11.998 -7.736 1.00 0.00 N ATOM 668 CA MET A 42 -2.506 -12.586 -9.070 1.00 0.00 C ATOM 669 C MET A 42 -1.794 -13.937 -9.083 1.00 0.00 C ATOM 670 O MET A 42 -2.429 -14.986 -9.186 1.00 0.00 O ATOM 671 CB MET A 42 -1.862 -11.641 -10.088 1.00 0.00 C ATOM 672 CG MET A 42 -2.709 -11.418 -11.332 1.00 0.00 C ATOM 673 SD MET A 42 -3.013 -9.672 -11.665 1.00 0.00 S ATOM 674 CE MET A 42 -1.725 -9.328 -12.862 1.00 0.00 C ATOM 0 H MET A 42 -3.381 -11.813 -7.327 1.00 0.00 H new ATOM 0 HA MET A 42 -3.549 -12.741 -9.345 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.673 -10.680 -9.610 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.894 -12.045 -10.385 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.210 -11.866 -12.191 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.663 -11.932 -11.214 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.058 -8.561 -12.468 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.157 -10.238 -13.057 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.175 -8.976 -13.790 1.00 0.00 H new ATOM 684 N GLY A 43 -0.471 -13.899 -8.970 1.00 0.00 N ATOM 685 CA GLY A 43 0.316 -15.115 -8.963 1.00 0.00 C ATOM 686 C GLY A 43 1.795 -14.848 -9.101 1.00 0.00 C ATOM 687 O GLY A 43 2.509 -15.582 -9.783 1.00 0.00 O ATOM 0 H GLY A 43 0.072 -13.040 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.133 -15.657 -8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.011 -15.760 -9.779 1.00 0.00 H new ATOM 691 N GLU A 44 2.251 -13.788 -8.459 1.00 0.00 N ATOM 692 CA GLU A 44 3.659 -13.407 -8.515 1.00 0.00 C ATOM 693 C GLU A 44 4.421 -13.913 -7.291 1.00 0.00 C ATOM 694 O GLU A 44 3.933 -14.770 -6.555 1.00 0.00 O ATOM 695 CB GLU A 44 3.790 -11.888 -8.632 1.00 0.00 C ATOM 696 CG GLU A 44 4.433 -11.435 -9.934 1.00 0.00 C ATOM 697 CD GLU A 44 3.703 -10.270 -10.574 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.872 -9.640 -9.888 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.963 -9.989 -11.763 1.00 0.00 O ATOM 0 H GLU A 44 1.670 -13.172 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 44 4.099 -13.871 -9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.801 -11.438 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.381 -11.516 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.467 -11.149 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.457 -12.271 -10.633 1.00 0.00 H new ATOM 706 N THR A 45 5.622 -13.375 -7.081 1.00 0.00 N ATOM 707 CA THR A 45 6.452 -13.772 -5.951 1.00 0.00 C ATOM 708 C THR A 45 6.398 -12.714 -4.853 1.00 0.00 C ATOM 709 O THR A 45 5.946 -11.594 -5.087 1.00 0.00 O ATOM 710 CB THR A 45 7.900 -13.986 -6.406 1.00 0.00 C ATOM 711 OG1 THR A 45 8.047 -13.682 -7.782 1.00 0.00 O ATOM 712 CG2 THR A 45 8.392 -15.401 -6.195 1.00 0.00 C ATOM 0 H THR A 45 6.039 -12.663 -7.680 1.00 0.00 H new ATOM 0 HA THR A 45 6.066 -14.710 -5.551 1.00 0.00 H new ATOM 0 HB THR A 45 8.496 -13.314 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.979 -13.824 -8.051 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.423 -15.483 -6.538 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.342 -15.649 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.766 -16.092 -6.760 1.00 0.00 H new ATOM 720 N PRO A 46 6.867 -13.049 -3.639 1.00 0.00 N ATOM 721 CA PRO A 46 6.876 -12.122 -2.508 1.00 0.00 C ATOM 722 C PRO A 46 7.354 -10.728 -2.905 1.00 0.00 C ATOM 723 O PRO A 46 6.921 -9.727 -2.336 1.00 0.00 O ATOM 724 CB PRO A 46 7.857 -12.771 -1.514 1.00 0.00 C ATOM 725 CG PRO A 46 8.442 -13.949 -2.224 1.00 0.00 C ATOM 726 CD PRO A 46 7.431 -14.345 -3.256 1.00 0.00 C ATOM 0 HA PRO A 46 5.877 -11.972 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.635 -12.068 -1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.343 -13.080 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.395 -13.693 -2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.635 -14.768 -1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.890 -14.857 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.674 -15.016 -2.850 1.00 0.00 H new ATOM 734 N GLU A 47 8.262 -10.670 -3.873 1.00 0.00 N ATOM 735 CA GLU A 47 8.804 -9.397 -4.332 1.00 0.00 C ATOM 736 C GLU A 47 8.234 -8.975 -5.688 1.00 0.00 C ATOM 737 O GLU A 47 7.910 -7.807 -5.891 1.00 0.00 O ATOM 738 CB GLU A 47 10.329 -9.477 -4.415 1.00 0.00 C ATOM 739 CG GLU A 47 11.026 -9.182 -3.096 1.00 0.00 C ATOM 740 CD GLU A 47 12.335 -9.932 -2.948 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.296 -11.171 -2.799 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.400 -9.280 -2.981 1.00 0.00 O ATOM 0 H GLU A 47 8.637 -11.488 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 47 8.510 -8.641 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.615 -10.473 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.681 -8.772 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.215 -8.111 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.364 -9.448 -2.272 1.00 0.00 H new ATOM 749 N GLN A 48 8.141 -9.920 -6.621 1.00 0.00 N ATOM 750 CA GLN A 48 7.649 -9.625 -7.968 1.00 0.00 C ATOM 751 C GLN A 48 6.144 -9.363 -8.012 1.00 0.00 C ATOM 752 O GLN A 48 5.609 -9.007 -9.062 1.00 0.00 O ATOM 753 CB GLN A 48 7.998 -10.773 -8.916 1.00 0.00 C ATOM 754 CG GLN A 48 9.479 -11.119 -8.935 1.00 0.00 C ATOM 755 CD GLN A 48 10.296 -10.137 -9.752 1.00 0.00 C ATOM 756 OE1 GLN A 48 9.788 -9.513 -10.684 1.00 0.00 O ATOM 757 NE2 GLN A 48 11.569 -9.995 -9.404 1.00 0.00 N ATOM 0 H GLN A 48 8.399 -10.895 -6.471 1.00 0.00 H new ATOM 0 HA GLN A 48 8.143 -8.707 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.431 -11.657 -8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.682 -10.508 -9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.857 -11.139 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.609 -12.122 -9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.948 -10.533 -8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.169 -9.348 -9.916 1.00 0.00 H new ATOM 766 N ALA A 49 5.462 -9.523 -6.886 1.00 0.00 N ATOM 767 CA ALA A 49 4.024 -9.283 -6.844 1.00 0.00 C ATOM 768 C ALA A 49 3.731 -7.795 -6.726 1.00 0.00 C ATOM 769 O ALA A 49 2.963 -7.236 -7.509 1.00 0.00 O ATOM 770 CB ALA A 49 3.387 -10.050 -5.695 1.00 0.00 C ATOM 0 H ALA A 49 5.874 -9.814 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 49 3.589 -9.642 -7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.314 -9.858 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.563 -11.117 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.827 -9.725 -4.752 1.00 0.00 H new ATOM 776 N VAL A 50 4.362 -7.158 -5.751 1.00 0.00 N ATOM 777 CA VAL A 50 4.182 -5.728 -5.544 1.00 0.00 C ATOM 778 C VAL A 50 5.014 -4.918 -6.531 1.00 0.00 C ATOM 779 O VAL A 50 4.605 -3.842 -6.956 1.00 0.00 O ATOM 780 CB VAL A 50 4.545 -5.290 -4.113 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.875 -5.891 -3.682 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.581 -3.769 -4.025 1.00 0.00 C ATOM 0 H VAL A 50 5.000 -7.606 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 50 3.122 -5.533 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 50 3.778 -5.659 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.109 -5.567 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.809 -6.979 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.661 -5.559 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.839 -3.469 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.328 -3.382 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.602 -3.366 -4.285 1.00 0.00 H new ATOM 792 N VAL A 51 6.190 -5.429 -6.880 1.00 0.00 N ATOM 793 CA VAL A 51 7.077 -4.729 -7.801 1.00 0.00 C ATOM 794 C VAL A 51 6.334 -4.314 -9.064 1.00 0.00 C ATOM 795 O VAL A 51 6.600 -3.253 -9.629 1.00 0.00 O ATOM 796 CB VAL A 51 8.308 -5.586 -8.175 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.101 -4.949 -9.310 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.197 -5.792 -6.959 1.00 0.00 C ATOM 0 H VAL A 51 6.550 -6.321 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 51 7.429 -3.835 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 51 7.950 -6.556 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.960 -5.575 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.465 -4.854 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.446 -3.962 -9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.060 -6.397 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.537 -4.825 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.633 -6.302 -6.178 1.00 0.00 H new ATOM 808 N ARG A 52 5.402 -5.149 -9.507 1.00 0.00 N ATOM 809 CA ARG A 52 4.632 -4.851 -10.707 1.00 0.00 C ATOM 810 C ARG A 52 3.535 -3.830 -10.418 1.00 0.00 C ATOM 811 O ARG A 52 3.177 -3.025 -11.277 1.00 0.00 O ATOM 812 CB ARG A 52 4.025 -6.132 -11.280 1.00 0.00 C ATOM 813 CG ARG A 52 4.883 -6.785 -12.353 1.00 0.00 C ATOM 814 CD ARG A 52 4.058 -7.184 -13.564 1.00 0.00 C ATOM 815 NE ARG A 52 2.894 -7.985 -13.194 1.00 0.00 N ATOM 816 CZ ARG A 52 2.213 -8.743 -14.048 1.00 0.00 C ATOM 817 NH1 ARG A 52 2.574 -8.806 -15.324 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.166 -9.441 -13.627 1.00 0.00 N ATOM 0 H ARG A 52 5.162 -6.032 -9.056 1.00 0.00 H new ATOM 0 HA ARG A 52 5.310 -4.420 -11.444 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.867 -6.844 -10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.045 -5.904 -11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.670 -6.096 -12.659 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.374 -7.666 -11.940 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.729 -6.288 -14.090 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.681 -7.749 -14.257 1.00 0.00 H new ATOM 0 HE ARG A 52 2.585 -7.961 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.378 -8.271 -15.654 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.048 -9.389 -15.975 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.883 -9.396 -12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.644 -10.022 -14.282 1.00 0.00 H new ATOM 832 N GLU A 53 3.040 -3.845 -9.189 1.00 0.00 N ATOM 833 CA GLU A 53 2.020 -2.893 -8.767 1.00 0.00 C ATOM 834 C GLU A 53 2.680 -1.555 -8.445 1.00 0.00 C ATOM 835 O GLU A 53 2.102 -0.491 -8.638 1.00 0.00 O ATOM 836 CB GLU A 53 1.263 -3.427 -7.545 1.00 0.00 C ATOM 837 CG GLU A 53 -0.090 -4.050 -7.876 1.00 0.00 C ATOM 838 CD GLU A 53 -0.094 -4.801 -9.194 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.822 -5.622 -9.415 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.014 -4.568 -10.007 1.00 0.00 O ATOM 0 H GLU A 53 3.327 -4.505 -8.466 1.00 0.00 H new ATOM 0 HA GLU A 53 1.302 -2.753 -9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.882 -4.172 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.112 -2.611 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.374 -4.733 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.846 -3.265 -7.910 1.00 0.00 H new ATOM 847 N LEU A 54 3.889 -1.649 -7.900 1.00 0.00 N ATOM 848 CA LEU A 54 4.628 -0.463 -7.493 1.00 0.00 C ATOM 849 C LEU A 54 4.609 0.541 -8.636 1.00 0.00 C ATOM 850 O LEU A 54 4.294 1.714 -8.445 1.00 0.00 O ATOM 851 CB LEU A 54 6.068 -0.834 -7.135 1.00 0.00 C ATOM 852 CG LEU A 54 6.629 -0.120 -5.907 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.629 -1.047 -4.702 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.029 0.402 -6.187 1.00 0.00 C ATOM 0 H LEU A 54 4.374 -2.530 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 54 4.162 -0.023 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.120 -1.910 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.708 -0.614 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 54 5.987 0.731 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.032 -0.520 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.609 -1.367 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.246 -1.920 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.413 0.908 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.684 -0.431 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.996 1.104 -7.020 1.00 0.00 H new ATOM 866 N GLN A 55 4.949 0.067 -9.826 1.00 0.00 N ATOM 867 CA GLN A 55 4.971 0.922 -11.013 1.00 0.00 C ATOM 868 C GLN A 55 3.556 1.179 -11.522 1.00 0.00 C ATOM 869 O GLN A 55 3.221 2.288 -11.933 1.00 0.00 O ATOM 870 CB GLN A 55 5.815 0.277 -12.116 1.00 0.00 C ATOM 871 CG GLN A 55 6.712 1.263 -12.846 1.00 0.00 C ATOM 872 CD GLN A 55 7.558 0.598 -13.914 1.00 0.00 C ATOM 873 OE1 GLN A 55 8.786 0.582 -13.829 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.904 0.045 -14.929 1.00 0.00 N ATOM 0 H GLN A 55 5.214 -0.903 -9.999 1.00 0.00 H new ATOM 0 HA GLN A 55 5.418 1.877 -10.736 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.432 -0.508 -11.679 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.152 -0.202 -12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.097 2.038 -13.304 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.364 1.758 -12.126 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.885 0.081 -14.960 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.421 -0.416 -15.678 1.00 0.00 H new ATOM 883 N GLU A 56 2.732 0.146 -11.490 1.00 0.00 N ATOM 884 CA GLU A 56 1.350 0.259 -11.944 1.00 0.00 C ATOM 885 C GLU A 56 0.569 1.229 -11.064 1.00 0.00 C ATOM 886 O GLU A 56 -0.438 1.797 -11.489 1.00 0.00 O ATOM 887 CB GLU A 56 0.669 -1.109 -11.924 1.00 0.00 C ATOM 888 CG GLU A 56 -0.337 -1.309 -13.045 1.00 0.00 C ATOM 889 CD GLU A 56 -1.736 -1.600 -12.533 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.864 -2.039 -11.369 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.703 -1.391 -13.296 1.00 0.00 O ATOM 0 H GLU A 56 2.992 -0.782 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 56 1.362 0.640 -12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.431 -1.885 -11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.163 -1.239 -10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.362 -0.416 -13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.008 -2.132 -13.680 1.00 0.00 H new ATOM 898 N GLU A 57 1.026 1.394 -9.826 1.00 0.00 N ATOM 899 CA GLU A 57 0.359 2.269 -8.873 1.00 0.00 C ATOM 900 C GLU A 57 1.160 3.546 -8.595 1.00 0.00 C ATOM 901 O GLU A 57 0.781 4.345 -7.738 1.00 0.00 O ATOM 902 CB GLU A 57 0.092 1.515 -7.572 1.00 0.00 C ATOM 903 CG GLU A 57 -1.053 0.516 -7.672 1.00 0.00 C ATOM 904 CD GLU A 57 -0.966 -0.361 -8.906 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.272 -1.395 -8.850 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.593 -0.011 -9.928 1.00 0.00 O ATOM 0 H GLU A 57 1.858 0.931 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.588 2.576 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.998 0.988 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.132 2.234 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.056 -0.115 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.000 1.056 -7.683 1.00 0.00 H new ATOM 913 N VAL A 58 2.255 3.745 -9.328 1.00 0.00 N ATOM 914 CA VAL A 58 3.084 4.936 -9.159 1.00 0.00 C ATOM 915 C VAL A 58 3.422 5.532 -10.519 1.00 0.00 C ATOM 916 O VAL A 58 3.331 6.743 -10.722 1.00 0.00 O ATOM 917 CB VAL A 58 4.393 4.621 -8.401 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.246 5.869 -8.254 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.094 4.031 -7.036 1.00 0.00 C ATOM 0 H VAL A 58 2.587 3.098 -10.043 1.00 0.00 H new ATOM 0 HA VAL A 58 2.512 5.652 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 58 4.949 3.887 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.162 5.622 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.497 6.257 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.692 6.625 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.030 3.817 -6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.512 4.743 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.526 3.109 -7.155 1.00 0.00 H new ATOM 929 N GLY A 59 3.784 4.661 -11.453 1.00 0.00 N ATOM 930 CA GLY A 59 4.101 5.082 -12.803 1.00 0.00 C ATOM 931 C GLY A 59 5.412 5.827 -12.933 1.00 0.00 C ATOM 932 O GLY A 59 6.167 5.613 -13.883 1.00 0.00 O ATOM 0 H GLY A 59 3.864 3.657 -11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.131 4.203 -13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.297 5.719 -13.170 1.00 0.00 H new ATOM 936 N ILE A 60 5.675 6.702 -11.991 1.00 0.00 N ATOM 937 CA ILE A 60 6.891 7.495 -11.999 1.00 0.00 C ATOM 938 C ILE A 60 8.086 6.680 -11.528 1.00 0.00 C ATOM 939 O ILE A 60 7.975 5.484 -11.264 1.00 0.00 O ATOM 940 CB ILE A 60 6.786 8.758 -11.109 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.729 8.617 -10.016 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.513 9.990 -11.955 1.00 0.00 C ATOM 943 CD1 ILE A 60 6.100 9.343 -8.740 1.00 0.00 C ATOM 0 H ILE A 60 5.059 6.887 -11.200 1.00 0.00 H new ATOM 0 HA ILE A 60 7.030 7.805 -13.035 1.00 0.00 H new ATOM 0 HB ILE A 60 7.749 8.874 -10.611 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.779 9.003 -10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.580 7.560 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.443 10.866 -11.310 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.325 10.129 -12.668 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.575 9.860 -12.494 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.311 9.206 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.035 8.940 -8.351 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.222 10.406 -8.948 1.00 0.00 H new ATOM 955 N THR A 61 9.230 7.349 -11.427 1.00 0.00 N ATOM 956 CA THR A 61 10.458 6.731 -10.989 1.00 0.00 C ATOM 957 C THR A 61 10.841 7.277 -9.620 1.00 0.00 C ATOM 958 O THR A 61 11.519 8.299 -9.522 1.00 0.00 O ATOM 959 CB THR A 61 11.541 7.065 -11.995 1.00 0.00 C ATOM 960 OG1 THR A 61 11.341 8.362 -12.529 1.00 0.00 O ATOM 961 CG2 THR A 61 11.596 6.097 -13.156 1.00 0.00 C ATOM 0 H THR A 61 9.323 8.340 -11.650 1.00 0.00 H new ATOM 0 HA THR A 61 10.335 5.651 -10.916 1.00 0.00 H new ATOM 0 HB THR A 61 12.480 7.002 -11.444 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.279 9.011 -11.797 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.392 6.393 -13.839 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.793 5.092 -12.783 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.643 6.108 -13.684 1.00 0.00 H new ATOM 969 N PRO A 62 10.356 6.646 -8.542 1.00 0.00 N ATOM 970 CA PRO A 62 10.583 7.100 -7.190 1.00 0.00 C ATOM 971 C PRO A 62 11.474 6.197 -6.354 1.00 0.00 C ATOM 972 O PRO A 62 11.455 4.977 -6.509 1.00 0.00 O ATOM 973 CB PRO A 62 9.160 6.993 -6.669 1.00 0.00 C ATOM 974 CG PRO A 62 8.662 5.706 -7.259 1.00 0.00 C ATOM 975 CD PRO A 62 9.464 5.481 -8.525 1.00 0.00 C ATOM 0 HA PRO A 62 11.084 8.067 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.133 6.971 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.552 7.841 -6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.797 4.880 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.596 5.766 -7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.020 4.544 -8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.827 5.444 -9.409 1.00 0.00 H new ATOM 983 N GLN A 63 12.189 6.795 -5.405 1.00 0.00 N ATOM 984 CA GLN A 63 12.995 6.012 -4.492 1.00 0.00 C ATOM 985 C GLN A 63 12.016 5.377 -3.523 1.00 0.00 C ATOM 986 O GLN A 63 11.770 5.882 -2.429 1.00 0.00 O ATOM 987 CB GLN A 63 14.007 6.888 -3.752 1.00 0.00 C ATOM 988 CG GLN A 63 14.840 7.763 -4.673 1.00 0.00 C ATOM 989 CD GLN A 63 15.661 8.789 -3.916 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.012 8.587 -2.754 1.00 0.00 O ATOM 991 NE2 GLN A 63 15.970 9.900 -4.575 1.00 0.00 N ATOM 0 H GLN A 63 12.223 7.803 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 63 13.579 5.261 -5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.476 7.523 -3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.672 6.249 -3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.506 7.133 -5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.182 8.275 -5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.658 10.025 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.520 10.628 -4.118 1.00 0.00 H new ATOM 1000 N HIS A 64 11.414 4.298 -3.986 1.00 0.00 N ATOM 1001 CA HIS A 64 10.393 3.593 -3.231 1.00 0.00 C ATOM 1002 C HIS A 64 10.761 2.132 -3.065 1.00 0.00 C ATOM 1003 O HIS A 64 11.116 1.456 -4.032 1.00 0.00 O ATOM 1004 CB HIS A 64 9.064 3.758 -3.982 1.00 0.00 C ATOM 1005 CG HIS A 64 7.947 2.829 -3.579 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.949 1.546 -3.131 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.618 3.195 -3.656 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 6.640 1.175 -2.952 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.858 2.185 -3.274 1.00 0.00 N flip ATOM 0 H HIS A 64 11.618 3.885 -4.896 1.00 0.00 H new ATOM 0 HA HIS A 64 10.303 4.007 -2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.721 4.784 -3.848 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.254 3.622 -5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.255 4.160 -3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.305 0.210 -2.603 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.839 2.187 -3.235 1.00 0.00 H new ATOM 1018 N PHE A 65 10.678 1.647 -1.831 1.00 0.00 N ATOM 1019 CA PHE A 65 11.006 0.273 -1.530 1.00 0.00 C ATOM 1020 C PHE A 65 10.959 0.031 -0.023 1.00 0.00 C ATOM 1021 O PHE A 65 10.501 0.878 0.733 1.00 0.00 O ATOM 1022 CB PHE A 65 12.404 -0.021 -2.040 1.00 0.00 C ATOM 1023 CG PHE A 65 12.544 -1.326 -2.784 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.633 -2.358 -2.602 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.586 -1.511 -3.678 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.761 -3.545 -3.297 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.720 -2.698 -4.373 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.806 -3.717 -4.183 1.00 0.00 C ATOM 0 H PHE A 65 10.383 2.196 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 65 10.281 -0.382 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.714 0.791 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.091 -0.026 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.815 -2.231 -1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.302 -0.718 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.044 -4.338 -3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.539 -2.829 -5.065 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.909 -4.645 -4.726 1.00 0.00 H new ATOM 1038 N SER A 66 11.446 -1.129 0.400 1.00 0.00 N ATOM 1039 CA SER A 66 11.481 -1.494 1.813 1.00 0.00 C ATOM 1040 C SER A 66 10.098 -1.884 2.299 1.00 0.00 C ATOM 1041 O SER A 66 9.097 -1.469 1.726 1.00 0.00 O ATOM 1042 CB SER A 66 12.026 -0.339 2.659 1.00 0.00 C ATOM 1043 OG SER A 66 13.132 0.280 2.026 1.00 0.00 O ATOM 0 H SER A 66 11.827 -1.841 -0.223 1.00 0.00 H new ATOM 0 HA SER A 66 12.146 -2.351 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.239 0.397 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.326 -0.712 3.639 1.00 0.00 H new ATOM 0 HG SER A 66 13.460 1.015 2.585 1.00 0.00 H new ATOM 1049 N LEU A 67 10.051 -2.693 3.352 1.00 0.00 N ATOM 1050 CA LEU A 67 8.784 -3.147 3.913 1.00 0.00 C ATOM 1051 C LEU A 67 8.626 -2.672 5.352 1.00 0.00 C ATOM 1052 O LEU A 67 9.390 -3.073 6.231 1.00 0.00 O ATOM 1053 CB LEU A 67 8.701 -4.676 3.848 1.00 0.00 C ATOM 1054 CG LEU A 67 7.589 -5.311 4.691 1.00 0.00 C ATOM 1055 CD1 LEU A 67 6.815 -6.337 3.874 1.00 0.00 C ATOM 1056 CD2 LEU A 67 8.169 -5.953 5.943 1.00 0.00 C ATOM 0 H LEU A 67 10.877 -3.048 3.834 1.00 0.00 H new ATOM 0 HA LEU A 67 7.973 -2.720 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.559 -4.971 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.657 -5.089 4.169 1.00 0.00 H new ATOM 0 HG LEU A 67 6.898 -4.524 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.030 -6.776 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.366 -5.849 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.493 -7.121 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.365 -6.399 6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.882 -6.726 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.675 -5.194 6.540 1.00 0.00 H new ATOM 1068 N PHE A 68 7.643 -1.805 5.592 1.00 0.00 N ATOM 1069 CA PHE A 68 7.415 -1.275 6.928 1.00 0.00 C ATOM 1070 C PHE A 68 6.750 -2.333 7.812 1.00 0.00 C ATOM 1071 O PHE A 68 7.101 -2.489 8.981 1.00 0.00 O ATOM 1072 CB PHE A 68 6.549 -0.004 6.849 1.00 0.00 C ATOM 1073 CG PHE A 68 5.283 -0.047 7.668 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.192 -0.784 7.239 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.188 0.649 8.863 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.030 -0.828 7.984 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.028 0.609 9.613 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.947 -0.131 9.173 1.00 0.00 C ATOM 0 H PHE A 68 6.998 -1.459 4.882 1.00 0.00 H new ATOM 0 HA PHE A 68 8.374 -1.012 7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.147 0.847 7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.284 0.174 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.251 -1.331 6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.030 1.229 9.212 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.187 -1.407 7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.966 1.156 10.542 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.040 -0.164 9.758 1.00 0.00 H new ATOM 1088 N GLU A 69 5.793 -3.056 7.239 1.00 0.00 N ATOM 1089 CA GLU A 69 5.089 -4.100 7.976 1.00 0.00 C ATOM 1090 C GLU A 69 4.191 -4.933 7.067 1.00 0.00 C ATOM 1091 O GLU A 69 3.500 -4.412 6.201 1.00 0.00 O ATOM 1092 CB GLU A 69 4.261 -3.487 9.106 1.00 0.00 C ATOM 1093 CG GLU A 69 4.540 -4.105 10.468 1.00 0.00 C ATOM 1094 CD GLU A 69 3.276 -4.340 11.272 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.239 -3.727 10.942 1.00 0.00 O ATOM 1096 OE2 GLU A 69 3.324 -5.138 12.232 1.00 0.00 O ATOM 0 H GLU A 69 5.488 -2.940 6.273 1.00 0.00 H new ATOM 0 HA GLU A 69 5.843 -4.764 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.462 -2.417 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.202 -3.602 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.062 -5.053 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.207 -3.451 11.030 1.00 0.00 H new ATOM 1103 N LYS A 70 4.192 -6.233 7.293 1.00 0.00 N ATOM 1104 CA LYS A 70 3.366 -7.149 6.518 1.00 0.00 C ATOM 1105 C LYS A 70 2.499 -7.968 7.468 1.00 0.00 C ATOM 1106 O LYS A 70 2.998 -8.480 8.471 1.00 0.00 O ATOM 1107 CB LYS A 70 4.239 -8.075 5.668 1.00 0.00 C ATOM 1108 CG LYS A 70 5.435 -8.640 6.416 1.00 0.00 C ATOM 1109 CD LYS A 70 6.254 -9.570 5.536 1.00 0.00 C ATOM 1110 CE LYS A 70 5.856 -11.023 5.737 1.00 0.00 C ATOM 1111 NZ LYS A 70 6.911 -11.959 5.264 1.00 0.00 N ATOM 0 H LYS A 70 4.759 -6.684 8.011 1.00 0.00 H new ATOM 0 HA LYS A 70 2.729 -6.574 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.628 -8.900 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.593 -7.527 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.064 -7.823 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.092 -9.181 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.118 -9.296 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.313 -9.447 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.659 -11.202 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.928 -11.222 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.600 -12.939 5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.081 -11.806 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.790 -11.787 5.792 1.00 0.00 H new ATOM 1125 N LEU A 71 1.204 -8.086 7.179 1.00 0.00 N ATOM 1126 CA LEU A 71 0.327 -8.839 8.054 1.00 0.00 C ATOM 1127 C LEU A 71 -0.052 -10.199 7.464 1.00 0.00 C ATOM 1128 O LEU A 71 -0.691 -10.297 6.417 1.00 0.00 O ATOM 1129 CB LEU A 71 -0.931 -8.022 8.344 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.037 -8.789 9.065 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.385 -8.123 10.387 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.265 -8.908 8.179 1.00 0.00 C ATOM 0 H LEU A 71 0.752 -7.677 6.361 1.00 0.00 H new ATOM 0 HA LEU A 71 0.868 -9.031 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.655 -7.157 8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.326 -7.641 7.402 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.672 -9.793 9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.175 -8.688 10.882 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.502 -8.098 11.026 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.728 -7.105 10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.044 -9.457 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.630 -7.912 7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.004 -9.440 7.264 1.00 0.00 H new ATOM 1144 N GLU A 72 0.384 -11.236 8.165 1.00 0.00 N ATOM 1145 CA GLU A 72 0.135 -12.599 7.744 1.00 0.00 C ATOM 1146 C GLU A 72 -0.754 -13.349 8.735 1.00 0.00 C ATOM 1147 O GLU A 72 -0.318 -13.733 9.819 1.00 0.00 O ATOM 1148 CB GLU A 72 1.467 -13.323 7.568 1.00 0.00 C ATOM 1149 CG GLU A 72 1.309 -14.795 7.276 1.00 0.00 C ATOM 1150 CD GLU A 72 2.636 -15.520 7.162 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.339 -15.635 8.188 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.972 -15.972 6.047 1.00 0.00 O ATOM 0 H GLU A 72 0.915 -11.154 9.032 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.399 -12.571 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.023 -12.855 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.062 -13.200 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.716 -15.255 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.752 -14.918 6.347 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.002 -13.578 8.324 1.00 0.00 N ATOM 1160 CA TYR A 73 -2.965 -14.312 9.138 1.00 0.00 C ATOM 1161 C TYR A 73 -3.867 -15.180 8.261 1.00 0.00 C ATOM 1162 O TYR A 73 -4.335 -14.734 7.215 1.00 0.00 O ATOM 1163 CB TYR A 73 -3.802 -13.357 9.996 1.00 0.00 C ATOM 1164 CG TYR A 73 -4.795 -12.517 9.224 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.386 -11.691 8.186 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.147 -12.544 9.547 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.296 -10.915 7.491 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.061 -11.774 8.855 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.632 -10.961 7.830 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.539 -10.190 7.140 1.00 0.00 O ATOM 0 H TYR A 73 -2.369 -13.262 7.426 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.407 -14.966 9.808 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.343 -13.940 10.742 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.129 -12.693 10.538 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.341 -11.654 7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.488 -13.178 10.352 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.962 -10.276 6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.108 -11.809 9.117 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.437 -10.339 7.502 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.122 -16.410 8.694 1.00 0.00 N ATOM 1181 CA GLU A 74 -4.988 -17.311 7.935 1.00 0.00 C ATOM 1182 C GLU A 74 -6.178 -17.774 8.769 1.00 0.00 C ATOM 1183 O GLU A 74 -6.025 -18.209 9.910 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.211 -18.516 7.403 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.232 -19.107 8.403 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.118 -19.889 7.735 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.399 -20.591 6.742 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -0.965 -19.797 8.207 1.00 0.00 O ATOM 0 H GLU A 74 -3.747 -16.805 9.557 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.368 -16.747 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.919 -19.288 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.665 -18.218 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.800 -18.304 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.770 -19.761 9.089 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.362 -17.670 8.181 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.598 -18.061 8.827 1.00 0.00 C ATOM 1197 C PHE A 75 -8.940 -19.521 8.508 1.00 0.00 C ATOM 1198 O PHE A 75 -8.394 -20.100 7.573 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.719 -17.137 8.360 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.867 -15.888 9.180 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.065 -15.955 10.551 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -9.810 -14.642 8.575 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.204 -14.804 11.301 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -9.949 -13.487 9.321 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.147 -13.568 10.686 1.00 0.00 C ATOM 0 H PHE A 75 -7.488 -17.309 7.235 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.481 -17.975 9.907 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.536 -16.858 7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.660 -17.686 8.381 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.111 -16.918 11.037 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.655 -14.573 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.357 -14.870 12.368 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.903 -12.522 8.838 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.257 -12.667 11.271 1.00 0.00 H new ATOM 1215 N PRO A 76 -9.854 -20.132 9.286 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.280 -21.522 9.089 1.00 0.00 C ATOM 1217 C PRO A 76 -10.696 -21.791 7.648 1.00 0.00 C ATOM 1218 O PRO A 76 -11.868 -21.670 7.294 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.481 -21.679 10.035 1.00 0.00 C ATOM 1220 CG PRO A 76 -11.835 -20.292 10.455 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.558 -19.511 10.401 1.00 0.00 C ATOM 0 HA PRO A 76 -9.475 -22.227 9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.318 -22.163 9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.226 -22.298 10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.585 -19.862 9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.257 -20.283 11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.738 -18.450 10.227 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.995 -19.590 11.331 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.709 -22.140 6.832 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.904 -22.424 5.402 1.00 0.00 C ATOM 1231 C ASP A 77 -9.705 -21.152 4.587 1.00 0.00 C ATOM 1232 O ASP A 77 -10.303 -20.970 3.527 1.00 0.00 O ATOM 1233 CB ASP A 77 -11.290 -23.020 5.121 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.656 -24.124 6.095 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.922 -25.133 6.152 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.676 -23.979 6.801 1.00 0.00 O ATOM 0 H ASP A 77 -8.741 -22.237 7.139 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.162 -23.166 5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.039 -22.230 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.313 -23.414 4.105 1.00 0.00 H new ATOM 1241 N ARG A 78 -8.861 -20.275 5.113 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.556 -19.002 4.483 1.00 0.00 C ATOM 1243 C ARG A 78 -7.061 -18.710 4.563 1.00 0.00 C ATOM 1244 O ARG A 78 -6.379 -19.161 5.482 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.351 -17.869 5.122 1.00 0.00 C ATOM 1246 CG ARG A 78 -9.549 -16.680 4.197 1.00 0.00 C ATOM 1247 CD ARG A 78 -10.403 -15.602 4.844 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.815 -15.741 4.498 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.710 -14.763 4.627 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -12.342 -13.575 5.092 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -13.975 -14.973 4.289 1.00 0.00 N ATOM 0 H ARG A 78 -8.368 -20.429 5.992 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.844 -19.070 3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.326 -18.247 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.837 -17.537 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.579 -16.263 3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.021 -17.013 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.289 -15.650 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.048 -14.621 4.530 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.135 -16.640 4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.370 -13.408 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.031 -12.829 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.263 -15.883 3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.660 -14.224 4.388 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.571 -17.923 3.619 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.175 -17.527 3.594 1.00 0.00 C ATOM 1267 C HIS A 79 -5.071 -16.111 3.041 1.00 0.00 C ATOM 1268 O HIS A 79 -5.264 -15.893 1.846 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.347 -18.497 2.749 1.00 0.00 C ATOM 1270 CG HIS A 79 -2.877 -18.217 2.785 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -2.210 -17.845 3.933 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -1.942 -18.255 1.805 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -0.931 -17.666 3.658 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -0.742 -17.909 2.376 1.00 0.00 N ATOM 0 H HIS A 79 -7.127 -17.543 2.853 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.777 -17.552 4.608 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.524 -19.514 3.100 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.692 -18.452 1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.109 -18.510 0.769 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.169 -17.371 4.364 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.151 -17.850 1.887 1.00 0.00 H new ATOM 1283 N ILE A 80 -4.769 -15.145 3.898 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.648 -13.770 3.460 1.00 0.00 C ATOM 1285 C ILE A 80 -3.258 -13.247 3.788 1.00 0.00 C ATOM 1286 O ILE A 80 -2.692 -13.570 4.832 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.720 -12.876 4.117 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.409 -11.402 3.874 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.805 -13.160 5.604 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.630 -10.509 3.898 1.00 0.00 C ATOM 0 H ILE A 80 -4.605 -15.291 4.894 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.803 -13.740 2.381 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.685 -13.104 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.704 -11.059 4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.914 -11.299 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.566 -12.522 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.070 -14.206 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.840 -12.957 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.329 -9.477 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.327 -10.825 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.114 -10.581 4.872 1.00 0.00 H new ATOM 1302 N THR A 81 -2.703 -12.455 2.885 1.00 0.00 N ATOM 1303 CA THR A 81 -1.370 -11.910 3.075 1.00 0.00 C ATOM 1304 C THR A 81 -1.335 -10.423 2.744 1.00 0.00 C ATOM 1305 O THR A 81 -1.790 -10.003 1.681 1.00 0.00 O ATOM 1306 CB THR A 81 -0.377 -12.671 2.196 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.029 -13.706 1.482 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.755 -13.302 2.972 1.00 0.00 C ATOM 0 H THR A 81 -3.155 -12.176 2.014 1.00 0.00 H new ATOM 0 HA THR A 81 -1.092 -12.027 4.122 1.00 0.00 H new ATOM 0 HB THR A 81 0.038 -11.921 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.372 -14.382 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.420 -13.825 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.313 -12.527 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.350 -14.010 3.695 1.00 0.00 H new ATOM 1316 N LEU A 82 -0.783 -9.633 3.657 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.684 -8.195 3.449 1.00 0.00 C ATOM 1318 C LEU A 82 0.753 -7.716 3.627 1.00 0.00 C ATOM 1319 O LEU A 82 1.301 -7.770 4.724 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.602 -7.454 4.424 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.099 -7.684 4.205 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -3.904 -7.142 5.379 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.551 -7.038 2.904 1.00 0.00 C ATOM 0 H LEU A 82 -0.399 -9.962 4.543 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.997 -7.979 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.348 -7.757 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.399 -6.386 4.350 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.275 -8.758 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.966 -7.316 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.600 -7.650 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.723 -6.072 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.618 -7.211 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.359 -5.966 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.000 -7.474 2.071 1.00 0.00 H new ATOM 1335 N TRP A 83 1.364 -7.247 2.543 1.00 0.00 N ATOM 1336 CA TRP A 83 2.741 -6.762 2.605 1.00 0.00 C ATOM 1337 C TRP A 83 2.790 -5.250 2.416 1.00 0.00 C ATOM 1338 O TRP A 83 2.341 -4.735 1.396 1.00 0.00 O ATOM 1339 CB TRP A 83 3.622 -7.429 1.537 1.00 0.00 C ATOM 1340 CG TRP A 83 3.202 -8.816 1.136 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.490 -9.718 1.876 1.00 0.00 C ATOM 1342 CD2 TRP A 83 3.488 -9.461 -0.111 1.00 0.00 C ATOM 1343 NE1 TRP A 83 2.315 -10.878 1.164 1.00 0.00 N ATOM 1344 CE2 TRP A 83 2.915 -10.745 -0.058 1.00 0.00 C ATOM 1345 CE3 TRP A 83 4.170 -9.077 -1.267 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 3.004 -11.646 -1.116 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 4.257 -9.972 -2.317 1.00 0.00 C ATOM 1348 CH2 TRP A 83 3.676 -11.243 -2.235 1.00 0.00 C ATOM 0 H TRP A 83 0.934 -7.192 1.620 1.00 0.00 H new ATOM 0 HA TRP A 83 3.127 -7.021 3.591 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.629 -6.798 0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.646 -7.470 1.907 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.119 -9.543 2.875 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.818 -11.706 1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.621 -8.099 -1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.558 -12.628 -1.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 4.782 -9.686 -3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.761 -11.919 -3.073 1.00 0.00 H new ATOM 1359 N PHE A 84 3.357 -4.538 3.388 1.00 0.00 N ATOM 1360 CA PHE A 84 3.470 -3.088 3.280 1.00 0.00 C ATOM 1361 C PHE A 84 4.914 -2.697 2.972 1.00 0.00 C ATOM 1362 O PHE A 84 5.841 -3.167 3.629 1.00 0.00 O ATOM 1363 CB PHE A 84 2.997 -2.376 4.555 1.00 0.00 C ATOM 1364 CG PHE A 84 1.505 -2.404 4.776 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.760 -3.537 4.483 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.846 -1.291 5.281 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.607 -3.558 4.688 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.520 -1.309 5.487 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.247 -2.444 5.191 1.00 0.00 C ATOM 0 H PHE A 84 3.739 -4.935 4.246 1.00 0.00 H new ATOM 0 HA PHE A 84 2.821 -2.770 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.486 -2.835 5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.326 -1.337 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.254 -4.413 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.409 -0.400 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.174 -4.447 4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.019 -0.435 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.315 -2.460 5.353 1.00 0.00 H new ATOM 1379 N TRP A 85 5.105 -1.841 1.971 1.00 0.00 N ATOM 1380 CA TRP A 85 6.447 -1.405 1.589 1.00 0.00 C ATOM 1381 C TRP A 85 6.692 0.043 2.003 1.00 0.00 C ATOM 1382 O TRP A 85 5.952 0.941 1.600 1.00 0.00 O ATOM 1383 CB TRP A 85 6.646 -1.571 0.084 1.00 0.00 C ATOM 1384 CG TRP A 85 6.537 -2.995 -0.360 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.388 -3.688 -0.608 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.616 -3.906 -0.598 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.685 -4.973 -0.986 1.00 0.00 N ATOM 1388 CE2 TRP A 85 7.047 -5.132 -0.988 1.00 0.00 C ATOM 1389 CE3 TRP A 85 9.007 -3.803 -0.520 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.821 -6.247 -1.300 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.775 -4.911 -0.830 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.180 -6.118 -1.216 1.00 0.00 C ATOM 0 H TRP A 85 4.353 -1.437 1.412 1.00 0.00 H new ATOM 0 HA TRP A 85 7.171 -2.031 2.112 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.904 -0.972 -0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.626 -1.182 -0.194 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.390 -3.284 -0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 85 5.004 -5.693 -1.226 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.474 -2.876 -0.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.365 -7.180 -1.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.851 -4.844 -0.773 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.807 -6.965 -1.452 1.00 0.00 H new ATOM 1403 N LEU A 86 7.707 0.269 2.842 1.00 0.00 N ATOM 1404 CA LEU A 86 7.975 1.622 3.318 1.00 0.00 C ATOM 1405 C LEU A 86 8.744 2.463 2.295 1.00 0.00 C ATOM 1406 O LEU A 86 9.966 2.386 2.192 1.00 0.00 O ATOM 1407 CB LEU A 86 8.771 1.563 4.622 1.00 0.00 C ATOM 1408 CG LEU A 86 8.977 2.909 5.319 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.739 3.295 6.112 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.199 2.856 6.225 1.00 0.00 C ATOM 0 H LEU A 86 8.340 -0.449 3.196 1.00 0.00 H new ATOM 0 HA LEU A 86 7.010 2.101 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.261 0.889 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.748 1.126 4.414 1.00 0.00 H new ATOM 0 HG LEU A 86 9.146 3.670 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.905 4.255 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.885 3.373 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.538 2.534 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.332 3.821 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.058 2.083 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.083 2.626 5.630 1.00 0.00 H new ATOM 1422 N VAL A 87 7.995 3.274 1.557 1.00 0.00 N ATOM 1423 CA VAL A 87 8.541 4.158 0.524 1.00 0.00 C ATOM 1424 C VAL A 87 9.299 5.319 1.116 1.00 0.00 C ATOM 1425 O VAL A 87 8.958 5.809 2.192 1.00 0.00 O ATOM 1426 CB VAL A 87 7.447 4.720 -0.371 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.035 5.424 -1.584 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.503 3.607 -0.785 1.00 0.00 C ATOM 0 H VAL A 87 6.982 3.340 1.657 1.00 0.00 H new ATOM 0 HA VAL A 87 9.220 3.540 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 87 6.884 5.466 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.228 5.815 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.671 6.246 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.628 4.716 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.721 4.013 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.058 2.843 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.051 3.164 0.103 1.00 0.00 H new ATOM 1438 N GLU A 88 10.342 5.748 0.420 1.00 0.00 N ATOM 1439 CA GLU A 88 11.138 6.853 0.923 1.00 0.00 C ATOM 1440 C GLU A 88 11.073 8.125 0.066 1.00 0.00 C ATOM 1441 O GLU A 88 11.203 9.225 0.606 1.00 0.00 O ATOM 1442 CB GLU A 88 12.595 6.421 1.107 1.00 0.00 C ATOM 1443 CG GLU A 88 13.188 5.735 -0.114 1.00 0.00 C ATOM 1444 CD GLU A 88 14.539 5.110 0.168 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.853 4.883 1.356 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.285 4.845 -0.799 1.00 0.00 O ATOM 0 H GLU A 88 10.650 5.359 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 88 10.696 7.116 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.197 7.297 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.659 5.745 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.501 4.964 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.289 6.461 -0.921 1.00 0.00 H new ATOM 1453 N ARG A 89 10.898 8.011 -1.253 1.00 0.00 N ATOM 1454 CA ARG A 89 10.857 9.213 -2.090 1.00 0.00 C ATOM 1455 C ARG A 89 10.251 8.930 -3.463 1.00 0.00 C ATOM 1456 O ARG A 89 10.142 7.776 -3.875 1.00 0.00 O ATOM 1457 CB ARG A 89 12.284 9.795 -2.203 1.00 0.00 C ATOM 1458 CG ARG A 89 12.638 10.438 -3.543 1.00 0.00 C ATOM 1459 CD ARG A 89 12.329 11.926 -3.547 1.00 0.00 C ATOM 1460 NE ARG A 89 12.412 12.500 -4.887 1.00 0.00 N ATOM 1461 CZ ARG A 89 11.926 13.696 -5.213 1.00 0.00 C ATOM 1462 NH1 ARG A 89 11.314 14.441 -4.302 1.00 0.00 N ATOM 1463 NH2 ARG A 89 12.053 14.147 -6.453 1.00 0.00 N ATOM 0 H ARG A 89 10.786 7.129 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 89 10.207 9.951 -1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.415 10.540 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.998 8.996 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.697 10.285 -3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.081 9.948 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.329 12.089 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.027 12.443 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 89 12.869 11.953 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.214 14.098 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.944 15.356 -4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.523 13.578 -7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.681 15.063 -6.703 1.00 0.00 H new ATOM 1477 N TRP A 90 9.883 9.996 -4.177 1.00 0.00 N ATOM 1478 CA TRP A 90 9.317 9.858 -5.512 1.00 0.00 C ATOM 1479 C TRP A 90 9.637 11.073 -6.383 1.00 0.00 C ATOM 1480 O TRP A 90 9.417 12.214 -5.980 1.00 0.00 O ATOM 1481 CB TRP A 90 7.804 9.610 -5.441 1.00 0.00 C ATOM 1482 CG TRP A 90 6.962 10.839 -5.280 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.753 11.824 -6.203 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.188 11.191 -4.133 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.892 12.769 -5.695 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.531 12.401 -4.425 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.988 10.597 -2.885 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.682 13.026 -3.515 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.146 11.219 -1.983 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.501 12.420 -2.301 1.00 0.00 C ATOM 0 H TRP A 90 9.968 10.959 -3.851 1.00 0.00 H new ATOM 0 HA TRP A 90 9.780 8.990 -5.981 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.494 9.093 -6.349 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.601 8.938 -4.607 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.198 11.856 -7.187 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.574 13.606 -6.183 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.481 9.671 -2.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.185 13.954 -3.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.982 10.770 -1.014 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.847 12.878 -1.574 1.00 0.00 H new ATOM 1501 N GLU A 91 10.171 10.814 -7.581 1.00 0.00 N ATOM 1502 CA GLU A 91 10.528 11.885 -8.503 1.00 0.00 C ATOM 1503 C GLU A 91 9.309 12.373 -9.278 1.00 0.00 C ATOM 1504 O GLU A 91 8.333 11.640 -9.445 1.00 0.00 O ATOM 1505 CB GLU A 91 11.607 11.408 -9.478 1.00 0.00 C ATOM 1506 CG GLU A 91 12.452 12.535 -10.051 1.00 0.00 C ATOM 1507 CD GLU A 91 13.906 12.449 -9.628 1.00 0.00 C ATOM 1508 OE1 GLU A 91 14.385 11.324 -9.376 1.00 0.00 O ATOM 1509 OE2 GLU A 91 14.564 13.507 -9.549 1.00 0.00 O ATOM 0 H GLU A 91 10.363 9.875 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 91 10.917 12.717 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.259 10.700 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.132 10.869 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.392 12.511 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.040 13.492 -9.730 1.00 0.00 H new ATOM 1516 N GLY A 92 9.371 13.614 -9.748 1.00 0.00 N ATOM 1517 CA GLY A 92 8.265 14.181 -10.499 1.00 0.00 C ATOM 1518 C GLY A 92 6.961 14.145 -9.728 1.00 0.00 C ATOM 1519 O GLY A 92 6.857 14.724 -8.646 1.00 0.00 O ATOM 0 H GLY A 92 10.168 14.238 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.500 15.213 -10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.146 13.633 -11.434 1.00 0.00 H new ATOM 1523 N GLU A 93 5.966 13.461 -10.282 1.00 0.00 N ATOM 1524 CA GLU A 93 4.665 13.350 -9.636 1.00 0.00 C ATOM 1525 C GLU A 93 4.177 11.902 -9.646 1.00 0.00 C ATOM 1526 O GLU A 93 4.371 11.185 -10.627 1.00 0.00 O ATOM 1527 CB GLU A 93 3.645 14.251 -10.336 1.00 0.00 C ATOM 1528 CG GLU A 93 2.736 15.001 -9.376 1.00 0.00 C ATOM 1529 CD GLU A 93 2.656 16.483 -9.685 1.00 0.00 C ATOM 1530 OE1 GLU A 93 3.580 17.223 -9.287 1.00 0.00 O ATOM 1531 OE2 GLU A 93 1.670 16.903 -10.326 1.00 0.00 O ATOM 0 H GLU A 93 6.036 12.976 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 93 4.771 13.673 -8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.176 14.971 -10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.033 13.643 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.735 14.571 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.099 14.865 -8.357 1.00 0.00 H new ATOM 1538 N PRO A 94 3.526 11.452 -8.557 1.00 0.00 N ATOM 1539 CA PRO A 94 3.001 10.091 -8.447 1.00 0.00 C ATOM 1540 C PRO A 94 1.723 9.923 -9.247 1.00 0.00 C ATOM 1541 O PRO A 94 0.848 10.790 -9.209 1.00 0.00 O ATOM 1542 CB PRO A 94 2.707 9.929 -6.946 1.00 0.00 C ATOM 1543 CG PRO A 94 3.234 11.164 -6.292 1.00 0.00 C ATOM 1544 CD PRO A 94 3.226 12.224 -7.351 1.00 0.00 C ATOM 0 HA PRO A 94 3.701 9.350 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.638 9.818 -6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.191 9.038 -6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.612 11.453 -5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.241 11.003 -5.908 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.261 12.727 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.974 12.994 -7.163 1.00 0.00 H new ATOM 1552 N TRP A 95 1.598 8.814 -9.963 1.00 0.00 N ATOM 1553 CA TRP A 95 0.396 8.588 -10.743 1.00 0.00 C ATOM 1554 C TRP A 95 0.034 7.113 -10.847 1.00 0.00 C ATOM 1555 O TRP A 95 -1.021 6.690 -10.373 1.00 0.00 O ATOM 1556 CB TRP A 95 0.526 9.187 -12.149 1.00 0.00 C ATOM 1557 CG TRP A 95 1.785 8.810 -12.895 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.976 9.474 -12.869 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.973 7.700 -13.791 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.885 8.865 -13.705 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.293 7.775 -14.282 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.156 6.651 -14.229 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.806 6.852 -15.191 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.669 5.734 -15.125 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.981 5.841 -15.602 1.00 0.00 C ATOM 0 H TRP A 95 2.298 8.074 -10.018 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.410 9.092 -10.209 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.335 8.875 -12.740 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.481 10.273 -12.069 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.178 10.354 -12.276 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.843 9.176 -13.867 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.141 6.560 -13.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.819 6.932 -15.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.047 4.919 -15.464 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.349 5.111 -16.308 1.00 0.00 H new ATOM 1576 N GLY A 96 0.905 6.343 -11.481 1.00 0.00 N ATOM 1577 CA GLY A 96 0.659 4.921 -11.663 1.00 0.00 C ATOM 1578 C GLY A 96 -0.787 4.606 -12.003 1.00 0.00 C ATOM 1579 O GLY A 96 -1.202 4.716 -13.157 1.00 0.00 O ATOM 0 H GLY A 96 1.784 6.677 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.303 4.546 -12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.936 4.391 -10.752 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.555 4.216 -10.985 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.967 3.880 -11.159 1.00 0.00 C ATOM 1585 C LYS A 97 -3.535 3.268 -9.879 1.00 0.00 C ATOM 1586 O LYS A 97 -4.286 2.293 -9.924 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.153 2.906 -12.330 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.183 3.370 -13.347 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.563 2.811 -13.035 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.365 2.562 -14.302 1.00 0.00 C ATOM 1591 NZ LYS A 97 -7.439 3.576 -14.486 1.00 0.00 N ATOM 0 H LYS A 97 -1.219 4.125 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.508 4.800 -11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.196 2.767 -12.832 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.452 1.933 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.223 4.459 -13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.878 3.055 -14.345 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.462 1.879 -12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.102 3.508 -12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.698 2.579 -15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.808 1.567 -14.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.963 3.372 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.091 3.542 -13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.015 4.523 -14.550 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.168 3.842 -8.736 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.638 3.347 -7.445 1.00 0.00 C ATOM 1607 C GLU A 98 -5.153 3.475 -7.321 1.00 0.00 C ATOM 1608 O GLU A 98 -5.812 2.592 -6.772 1.00 0.00 O ATOM 1609 CB GLU A 98 -2.946 4.096 -6.303 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.360 5.554 -6.185 1.00 0.00 C ATOM 1611 CD GLU A 98 -2.894 6.191 -4.890 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.537 5.444 -3.955 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -2.886 7.438 -4.810 1.00 0.00 O ATOM 0 H GLU A 98 -2.547 4.649 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.384 2.289 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.165 3.589 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.867 4.045 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.952 6.113 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.446 5.626 -6.251 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.704 4.571 -7.835 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.139 4.769 -7.762 1.00 0.00 C ATOM 1622 C GLY A 99 -7.552 6.225 -7.887 1.00 0.00 C ATOM 1623 O GLY A 99 -8.017 6.653 -8.944 1.00 0.00 O ATOM 0 H GLY A 99 -5.187 5.319 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.619 4.193 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.505 4.375 -6.814 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.402 6.981 -6.803 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.786 8.390 -6.801 1.00 0.00 C ATOM 1629 C GLN A 100 -6.660 9.290 -6.313 1.00 0.00 C ATOM 1630 O GLN A 100 -6.019 9.019 -5.298 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.026 8.595 -5.934 1.00 0.00 C ATOM 1632 CG GLN A 100 -8.817 8.222 -4.474 1.00 0.00 C ATOM 1633 CD GLN A 100 -9.852 7.234 -3.970 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.814 7.726 -3.199 1.00 0.00 O flip ATOM 1635 NE2 GLN A 100 -9.787 6.041 -4.271 1.00 0.00 N flip ATOM 0 H GLN A 100 -7.020 6.644 -5.919 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.008 8.668 -7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.332 9.640 -5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.845 8.000 -6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.822 7.794 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.854 9.124 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.030 5.706 -4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.490 5.389 -3.925 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.423 10.389 -7.045 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.385 11.370 -6.717 1.00 0.00 C ATOM 1646 C PRO A 101 -5.342 11.724 -5.232 1.00 0.00 C ATOM 1647 O PRO A 101 -6.379 11.817 -4.573 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.824 12.577 -7.534 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.434 11.988 -8.751 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.163 10.769 -8.271 1.00 0.00 C ATOM 0 HA PRO A 101 -4.383 11.002 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.540 13.190 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.979 13.219 -7.782 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.115 12.691 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.673 11.728 -9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.210 10.984 -8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.146 9.972 -9.014 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.134 11.923 -4.714 1.00 0.00 N ATOM 1659 CA GLY A 102 -3.965 12.267 -3.311 1.00 0.00 C ATOM 1660 C GLY A 102 -2.983 13.407 -3.105 1.00 0.00 C ATOM 1661 O GLY A 102 -2.384 13.898 -4.062 1.00 0.00 O ATOM 0 H GLY A 102 -3.264 11.852 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.931 12.544 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.618 11.390 -2.765 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.811 13.821 -1.851 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.888 14.904 -1.519 1.00 0.00 C ATOM 1667 C GLU A 103 -0.876 14.449 -0.467 1.00 0.00 C ATOM 1668 O GLU A 103 -1.203 13.656 0.415 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.659 16.123 -1.010 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.709 15.786 0.036 1.00 0.00 C ATOM 1671 CD GLU A 103 -4.678 16.927 0.278 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -4.248 18.097 0.202 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -5.867 16.650 0.544 1.00 0.00 O ATOM 0 H GLU A 103 -3.299 13.423 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.347 15.180 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.953 16.838 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.143 16.614 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.264 14.904 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.214 15.530 0.973 1.00 0.00 H new ATOM 1680 N TRP A 104 0.353 14.952 -0.569 1.00 0.00 N ATOM 1681 CA TRP A 104 1.410 14.582 0.379 1.00 0.00 C ATOM 1682 C TRP A 104 1.038 15.003 1.799 1.00 0.00 C ATOM 1683 O TRP A 104 1.082 16.185 2.137 1.00 0.00 O ATOM 1684 CB TRP A 104 2.760 15.217 -0.019 1.00 0.00 C ATOM 1685 CG TRP A 104 2.648 16.338 -1.005 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.696 16.233 -2.363 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.468 17.729 -0.714 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.556 17.473 -2.938 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.415 18.408 -1.946 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.347 18.465 0.468 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.245 19.787 -2.028 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.178 19.834 0.384 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.129 20.484 -0.856 1.00 0.00 C ATOM 0 H TRP A 104 0.643 15.612 -1.291 1.00 0.00 H new ATOM 0 HA TRP A 104 1.514 13.497 0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 104 3.253 15.588 0.880 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.402 14.443 -0.439 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.825 15.310 -2.908 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.557 17.666 -3.940 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.385 17.973 1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.206 20.289 -2.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 2.082 20.413 1.291 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.997 21.555 -0.888 1.00 0.00 H new ATOM 1704 N MET A 105 0.681 14.022 2.632 1.00 0.00 N ATOM 1705 CA MET A 105 0.313 14.297 4.020 1.00 0.00 C ATOM 1706 C MET A 105 1.217 13.560 4.998 1.00 0.00 C ATOM 1707 O MET A 105 1.820 12.541 4.664 1.00 0.00 O ATOM 1708 CB MET A 105 -1.154 13.951 4.286 1.00 0.00 C ATOM 1709 CG MET A 105 -1.667 12.763 3.491 1.00 0.00 C ATOM 1710 SD MET A 105 -3.469 12.685 3.453 1.00 0.00 S ATOM 1711 CE MET A 105 -3.763 12.517 1.695 1.00 0.00 C ATOM 0 H MET A 105 0.640 13.037 2.370 1.00 0.00 H new ATOM 0 HA MET A 105 0.447 15.367 4.178 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.280 13.745 5.349 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.769 14.821 4.055 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.287 12.821 2.471 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.276 11.843 3.925 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.225 13.428 1.315 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.816 12.349 1.182 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.427 11.671 1.516 1.00 0.00 H new ATOM 1721 N SER A 106 1.311 14.096 6.213 1.00 0.00 N ATOM 1722 CA SER A 106 2.145 13.508 7.255 1.00 0.00 C ATOM 1723 C SER A 106 1.599 12.161 7.708 1.00 0.00 C ATOM 1724 O SER A 106 0.454 12.059 8.150 1.00 0.00 O ATOM 1725 CB SER A 106 2.244 14.457 8.451 1.00 0.00 C ATOM 1726 OG SER A 106 3.525 14.388 9.053 1.00 0.00 O ATOM 0 H SER A 106 0.817 14.941 6.500 1.00 0.00 H new ATOM 0 HA SER A 106 3.139 13.349 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.046 15.478 8.126 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.480 14.203 9.185 1.00 0.00 H new ATOM 0 HG SER A 106 3.563 15.005 9.813 1.00 0.00 H new ATOM 1732 N LEU A 107 2.426 11.128 7.595 1.00 0.00 N ATOM 1733 CA LEU A 107 2.026 9.779 7.995 1.00 0.00 C ATOM 1734 C LEU A 107 1.901 9.654 9.515 1.00 0.00 C ATOM 1735 O LEU A 107 1.275 8.723 10.019 1.00 0.00 O ATOM 1736 CB LEU A 107 3.021 8.744 7.464 1.00 0.00 C ATOM 1737 CG LEU A 107 2.387 7.493 6.846 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.830 6.587 7.933 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.292 7.877 5.859 1.00 0.00 C ATOM 0 H LEU A 107 3.376 11.196 7.231 1.00 0.00 H new ATOM 0 HA LEU A 107 1.045 9.587 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.653 9.221 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.673 8.436 8.281 1.00 0.00 H new ATOM 0 HG LEU A 107 3.161 6.949 6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.383 5.703 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.636 6.283 8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.071 7.125 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.855 6.975 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.519 8.445 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.718 8.486 5.062 1.00 0.00 H new ATOM 1751 N VAL A 108 2.506 10.592 10.239 1.00 0.00 N ATOM 1752 CA VAL A 108 2.471 10.585 11.700 1.00 0.00 C ATOM 1753 C VAL A 108 1.040 10.531 12.244 1.00 0.00 C ATOM 1754 O VAL A 108 0.833 10.279 13.432 1.00 0.00 O ATOM 1755 CB VAL A 108 3.180 11.825 12.279 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.470 13.100 11.851 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.265 11.736 13.796 1.00 0.00 C ATOM 0 H VAL A 108 3.029 11.370 9.836 1.00 0.00 H new ATOM 0 HA VAL A 108 2.996 9.683 12.014 1.00 0.00 H new ATOM 0 HB VAL A 108 4.195 11.854 11.883 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.987 13.963 12.271 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.472 13.170 10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.442 13.082 12.212 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.769 12.621 14.185 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.260 11.678 14.214 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.827 10.845 14.077 1.00 0.00 H new ATOM 1767 N GLY A 109 0.058 10.764 11.379 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.329 10.732 11.804 1.00 0.00 C ATOM 1769 C GLY A 109 -2.176 9.869 10.894 1.00 0.00 C ATOM 1770 O GLY A 109 -3.218 10.297 10.399 1.00 0.00 O ATOM 0 H GLY A 109 0.198 10.974 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.388 10.352 12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.728 11.746 11.818 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.712 8.648 10.677 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.404 7.692 9.821 1.00 0.00 C ATOM 1776 C LEU A 110 -3.790 7.372 10.378 1.00 0.00 C ATOM 1777 O LEU A 110 -3.961 7.223 11.588 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.573 6.417 9.727 1.00 0.00 C ATOM 1779 CG LEU A 110 -1.741 5.610 8.442 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.527 6.494 7.221 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -0.770 4.441 8.438 1.00 0.00 C ATOM 0 H LEU A 110 -0.849 8.291 11.087 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.529 8.126 8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.521 6.682 9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.827 5.777 10.572 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.758 5.221 8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.651 5.900 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.256 7.304 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.520 6.911 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.894 3.868 7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.252 4.816 8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.970 3.799 9.296 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.785 7.288 9.492 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.155 7.011 9.917 1.00 0.00 C ATOM 1795 C ASN A 111 -6.745 5.779 9.239 1.00 0.00 C ATOM 1796 O ASN A 111 -7.041 5.790 8.045 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.043 8.229 9.651 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.670 8.773 10.920 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.909 8.034 11.875 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.942 10.074 10.935 1.00 0.00 N ATOM 0 H ASN A 111 -4.668 7.407 8.486 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.121 6.802 10.986 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.450 9.011 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.830 7.955 8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.366 10.497 11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.727 10.649 10.121 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.945 4.725 10.029 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.535 3.490 9.529 1.00 0.00 C ATOM 1809 C ALA A 112 -9.031 3.672 9.269 1.00 0.00 C ATOM 1810 O ALA A 112 -9.660 2.854 8.600 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.306 2.346 10.506 1.00 0.00 C ATOM 0 H ALA A 112 -6.705 4.705 11.020 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.046 3.242 8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.755 1.435 10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.235 2.193 10.643 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.763 2.590 11.465 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.600 4.745 9.814 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.020 5.026 9.641 1.00 0.00 C ATOM 1819 C ASP A 113 -11.283 5.629 8.264 1.00 0.00 C ATOM 1820 O ASP A 113 -12.244 5.263 7.588 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.543 5.971 10.735 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.449 6.573 11.600 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.664 5.799 12.185 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.381 7.816 11.691 1.00 0.00 O ATOM 0 H ASP A 113 -9.099 5.432 10.378 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.554 4.080 9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.107 6.777 10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.238 5.424 11.373 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.420 6.555 7.856 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.559 7.209 6.560 1.00 0.00 C ATOM 1831 C ASP A 114 -10.141 6.279 5.425 1.00 0.00 C ATOM 1832 O ASP A 114 -10.527 6.481 4.274 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.726 8.489 6.519 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.585 9.737 6.467 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.281 10.020 7.465 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.560 10.432 5.430 1.00 0.00 O ATOM 0 H ASP A 114 -9.619 6.869 8.404 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.610 7.462 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.084 8.530 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.071 8.465 5.648 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.351 5.260 5.751 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.887 4.308 4.751 1.00 0.00 C ATOM 1843 C PHE A 115 -9.765 3.055 4.754 1.00 0.00 C ATOM 1844 O PHE A 115 -10.504 2.811 5.707 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.396 3.987 4.981 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.088 2.661 5.618 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.860 2.171 6.652 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.999 1.920 5.192 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.558 0.966 7.250 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.688 0.719 5.786 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.468 0.242 6.816 1.00 0.00 C ATOM 0 H PHE A 115 -9.020 5.074 6.698 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.975 4.750 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.885 4.031 4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.970 4.773 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.711 2.739 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.386 2.290 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.173 0.591 8.055 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.834 0.152 5.446 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.225 -0.700 7.284 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.710 2.248 3.681 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.516 1.028 3.569 1.00 0.00 C ATOM 1863 C PRO A 116 -10.256 0.049 4.713 1.00 0.00 C ATOM 1864 O PRO A 116 -9.107 -0.196 5.080 1.00 0.00 O ATOM 1865 CB PRO A 116 -10.076 0.418 2.230 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.781 1.081 1.906 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.871 2.459 2.494 1.00 0.00 C ATOM 0 HA PRO A 116 -11.583 1.246 3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.956 -0.662 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.817 0.600 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.942 0.529 2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.623 1.125 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.889 2.852 2.757 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.323 3.167 1.799 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.325 -0.528 5.292 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.202 -1.487 6.396 1.00 0.00 C ATOM 1877 C PRO A 117 -10.584 -2.808 5.951 1.00 0.00 C ATOM 1878 O PRO A 117 -10.160 -3.614 6.778 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.648 -1.699 6.849 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.471 -1.385 5.648 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.734 -0.299 4.916 1.00 0.00 C ATOM 0 HA PRO A 117 -10.546 -1.117 7.184 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.812 -2.723 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.901 -1.046 7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.595 -2.266 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.470 -1.055 5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.879 -0.371 3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.074 0.691 5.218 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.536 -3.026 4.639 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.970 -4.250 4.089 1.00 0.00 C ATOM 1891 C ALA A 118 -8.491 -4.380 4.431 1.00 0.00 C ATOM 1892 O ALA A 118 -7.920 -5.468 4.357 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.170 -4.293 2.582 1.00 0.00 C ATOM 0 H ALA A 118 -10.883 -2.370 3.939 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.493 -5.093 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.742 -5.213 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.236 -4.261 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.676 -3.436 2.125 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.873 -3.266 4.804 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.460 -3.256 5.154 1.00 0.00 C ATOM 1901 C ASN A 119 -6.254 -2.837 6.611 1.00 0.00 C ATOM 1902 O ASN A 119 -5.125 -2.624 7.051 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.712 -2.305 4.221 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.736 -3.028 3.314 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.571 -3.217 3.662 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -5.210 -3.438 2.143 1.00 0.00 N ATOM 0 H ASN A 119 -8.330 -2.357 4.872 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.067 -4.266 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.432 -1.758 3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.172 -1.568 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.601 -3.932 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -6.183 -3.259 1.896 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.356 -2.715 7.355 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.305 -2.315 8.758 1.00 0.00 C ATOM 1915 C GLU A 120 -6.441 -3.254 9.608 1.00 0.00 C ATOM 1916 O GLU A 120 -5.809 -2.810 10.559 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.719 -2.244 9.339 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.048 -0.903 9.974 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.977 -1.034 11.166 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.806 -1.968 11.172 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.874 -0.203 12.092 1.00 0.00 O ATOM 0 H GLU A 120 -8.298 -2.889 7.004 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.841 -1.329 8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.439 -2.448 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.836 -3.029 10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.124 -0.418 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.509 -0.255 9.228 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.410 -4.564 9.306 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.627 -5.529 10.087 1.00 0.00 C ATOM 1930 C PRO A 121 -4.216 -5.055 10.439 1.00 0.00 C ATOM 1931 O PRO A 121 -3.808 -5.127 11.598 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.552 -6.725 9.151 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.845 -6.690 8.419 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.153 -5.231 8.211 1.00 0.00 C ATOM 0 HA PRO A 121 -6.090 -5.720 11.055 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.705 -6.646 8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.431 -7.657 9.703 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.770 -7.215 7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.633 -7.179 8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.821 -4.886 7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.223 -5.033 8.273 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.467 -4.579 9.447 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.102 -4.111 9.687 1.00 0.00 C ATOM 1944 C VAL A 122 -2.098 -2.713 10.292 1.00 0.00 C ATOM 1945 O VAL A 122 -1.489 -2.475 11.335 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.256 -4.084 8.391 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.114 -4.700 8.633 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.962 -4.783 7.236 1.00 0.00 C ATOM 0 H VAL A 122 -3.777 -4.507 8.478 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.659 -4.821 10.385 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.126 -3.039 8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.694 -4.672 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.635 -4.136 9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.004 -5.734 8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.334 -4.741 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.148 -5.824 7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.910 -4.285 7.034 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.777 -1.791 9.619 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.861 -0.408 10.065 1.00 0.00 C ATOM 1960 C ILE A 123 -3.463 -0.317 11.457 1.00 0.00 C ATOM 1961 O ILE A 123 -3.153 0.587 12.214 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.684 0.441 9.076 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.927 0.570 7.752 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.984 1.818 9.660 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.996 1.761 7.699 1.00 0.00 C ATOM 0 H ILE A 123 -3.282 -1.981 8.753 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.846 -0.013 10.102 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.636 -0.058 8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.350 -0.339 7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.647 0.646 6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.566 2.398 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.553 1.706 10.583 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.048 2.335 9.871 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.494 1.788 6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.570 2.678 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.252 1.677 8.491 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.304 -1.279 11.790 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.924 -1.315 13.105 1.00 0.00 C ATOM 1979 C ALA A 124 -3.841 -1.281 14.178 1.00 0.00 C ATOM 1980 O ALA A 124 -3.914 -0.512 15.138 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.793 -2.555 13.257 1.00 0.00 C ATOM 0 H ALA A 124 -4.574 -2.044 11.172 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.567 -0.442 13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.247 -2.562 14.248 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.576 -2.546 12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.179 -3.447 13.133 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.857 -2.157 14.014 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.766 -2.280 14.973 1.00 0.00 C ATOM 1989 C LYS A 125 -1.079 -0.941 15.209 1.00 0.00 C ATOM 1990 O LYS A 125 -0.903 -0.520 16.353 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.746 -3.308 14.482 1.00 0.00 C ATOM 1992 CG LYS A 125 0.404 -3.536 15.452 1.00 0.00 C ATOM 1993 CD LYS A 125 0.270 -4.867 16.174 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.012 -4.932 16.989 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.146 -5.480 16.197 1.00 0.00 N ATOM 0 H LYS A 125 -2.792 -2.796 13.221 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.191 -2.614 15.920 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.254 -4.256 14.305 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.343 -2.979 13.524 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.349 -3.509 14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.432 -2.727 16.182 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.282 -5.679 15.447 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.128 -5.014 16.830 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.851 -5.553 17.870 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.267 -3.934 17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.674 -6.165 16.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.779 -4.705 15.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.779 -5.954 15.347 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.682 -0.278 14.133 1.00 0.00 N ATOM 2010 CA LEU A 126 -0.001 1.014 14.238 1.00 0.00 C ATOM 2011 C LEU A 126 -0.991 2.140 14.514 1.00 0.00 C ATOM 2012 O LEU A 126 -0.765 2.983 15.378 1.00 0.00 O ATOM 2013 CB LEU A 126 0.775 1.309 12.952 1.00 0.00 C ATOM 2014 CG LEU A 126 1.991 2.220 13.124 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.250 1.394 13.341 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.151 3.130 11.916 1.00 0.00 C ATOM 0 H LEU A 126 -0.817 -0.608 13.177 1.00 0.00 H new ATOM 0 HA LEU A 126 0.695 0.958 15.075 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.106 0.364 12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.096 1.767 12.233 1.00 0.00 H new ATOM 0 HG LEU A 126 1.833 2.843 14.005 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.105 2.059 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.135 0.784 14.237 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.413 0.746 12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.021 3.771 12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.287 2.525 11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.260 3.747 11.805 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.068 2.164 13.740 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.090 3.200 13.859 1.00 0.00 C ATOM 2030 C LYS A 127 -3.531 3.360 15.300 1.00 0.00 C ATOM 2031 O LYS A 127 -3.769 4.472 15.769 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.300 2.850 13.006 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.521 3.720 13.275 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.792 2.891 13.364 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.191 2.633 14.808 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.066 1.434 14.935 1.00 0.00 N ATOM 0 H LYS A 127 -2.259 1.471 13.016 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.656 4.138 13.512 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -4.028 2.939 11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.565 1.807 13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.379 4.269 14.206 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.623 4.459 12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.601 3.408 12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.644 1.941 12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.295 2.495 15.413 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.711 3.506 15.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.317 1.291 15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.933 1.576 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.561 0.596 14.582 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.621 2.246 16.005 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.011 2.277 17.403 1.00 0.00 C ATOM 2052 C ARG A 128 -2.963 3.045 18.205 1.00 0.00 C ATOM 2053 O ARG A 128 -3.174 3.381 19.369 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.160 0.853 17.938 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.682 0.782 19.365 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.200 -0.474 20.072 1.00 0.00 C ATOM 2057 NE ARG A 128 -4.687 -0.548 21.447 1.00 0.00 N ATOM 2058 CZ ARG A 128 -4.247 0.230 22.434 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -3.312 1.143 22.200 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -4.744 0.097 23.656 1.00 0.00 N ATOM 0 H ARG A 128 -3.431 1.315 15.635 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.972 2.781 17.501 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.836 0.299 17.286 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.192 0.354 17.890 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.353 1.661 19.918 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.772 0.801 19.356 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.536 -1.352 19.521 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.110 -0.495 20.072 1.00 0.00 H new ATOM 0 HE ARG A 128 -5.407 -1.237 21.664 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.928 1.251 21.261 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.978 1.737 22.959 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.464 -0.602 23.841 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.406 0.693 24.412 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.831 3.332 17.554 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.738 4.073 18.180 1.00 0.00 C ATOM 2076 C LEU A 129 -0.469 3.576 19.599 1.00 0.00 C ATOM 2077 O LEU A 129 0.308 2.642 19.804 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.057 5.571 18.203 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.679 6.127 16.915 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.071 6.678 17.188 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.791 7.207 16.307 1.00 0.00 C ATOM 0 H LEU A 129 -1.650 3.059 16.588 1.00 0.00 H new ATOM 0 HA LEU A 129 0.160 3.905 17.586 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.738 5.768 19.031 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.137 6.119 18.409 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.763 5.309 16.199 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.496 7.068 16.263 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.708 5.882 17.573 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.007 7.480 17.924 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.252 7.586 15.395 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.671 8.023 17.020 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.186 6.785 16.071 1.00 0.00 H new