USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot 180:sc= -0.0408 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 MET CE :methyl 153:sc= -2.69! (180deg=-5.22!) USER MOD Set 2.2: A 50 GLN : amide:sc= 0 X(o=-6.7,f=-7.1) USER MOD Set 2.3: A 80 MET CE :methyl -157:sc= -3.82! (180deg=-8.06!) USER MOD Set 2.4: A 81 MET CE :methyl -148:sc= -0.158 (180deg=-0.0986) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.00097) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.068) USER MOD Single : A 18 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.92) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 35 CYS SG : rot 108:sc= -2.01 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.00927 K(o=-0.0093,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.607 USER MOD Single : A 58 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.054) USER MOD Single : A 60 MET CE :methyl -150:sc= -0.174 (180deg=-1.51!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.447 -5.076 -17.523 1.00 0.00 N ATOM 47 CA ILE A 4 8.384 -5.808 -16.824 1.00 0.00 C ATOM 48 C ILE A 4 7.109 -4.965 -16.758 1.00 0.00 C ATOM 49 O ILE A 4 6.005 -5.501 -16.681 1.00 0.00 O ATOM 50 CB ILE A 4 8.816 -6.201 -15.399 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.939 -4.952 -14.508 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.168 -6.919 -15.453 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.572 -4.599 -13.917 1.00 0.00 C ATOM 0 HA ILE A 4 8.187 -6.719 -17.389 1.00 0.00 H new ATOM 0 HB ILE A 4 8.061 -6.863 -14.976 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.655 -5.135 -13.707 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.320 -4.114 -15.092 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.473 -7.197 -14.444 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.079 -7.816 -16.065 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.915 -6.255 -15.888 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.665 -3.714 -13.287 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.868 -4.397 -14.724 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.208 -5.434 -13.318 1.00 0.00 H new ATOM 65 N TYR A 5 7.278 -3.636 -16.789 1.00 0.00 N ATOM 66 CA TYR A 5 6.141 -2.717 -16.736 1.00 0.00 C ATOM 67 C TYR A 5 5.337 -2.780 -18.031 1.00 0.00 C ATOM 68 O TYR A 5 4.124 -2.583 -18.030 1.00 0.00 O ATOM 69 CB TYR A 5 6.626 -1.279 -16.520 1.00 0.00 C ATOM 70 CG TYR A 5 7.359 -1.190 -15.204 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.647 -1.251 -14.002 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.753 -1.054 -15.187 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.325 -1.173 -12.781 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.433 -0.977 -13.966 1.00 0.00 C ATOM 75 CZ TYR A 5 8.719 -1.037 -12.762 1.00 0.00 C ATOM 76 OH TYR A 5 9.389 -0.961 -11.559 1.00 0.00 O ATOM 0 H TYR A 5 8.188 -3.179 -16.850 1.00 0.00 H new ATOM 0 HA TYR A 5 5.506 -3.018 -15.902 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.283 -0.979 -17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.779 -0.593 -16.524 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.572 -1.358 -14.016 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.303 -1.009 -16.115 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.774 -1.218 -11.853 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.508 -0.871 -13.952 1.00 0.00 H new ATOM 0 HH TYR A 5 10.350 -0.870 -11.725 1.00 0.00 H new ATOM 86 N LYS A 6 6.031 -3.068 -19.134 1.00 0.00 N ATOM 87 CA LYS A 6 5.377 -3.169 -20.444 1.00 0.00 C ATOM 88 C LYS A 6 4.672 -4.516 -20.572 1.00 0.00 C ATOM 89 O LYS A 6 3.584 -4.613 -21.143 1.00 0.00 O ATOM 90 CB LYS A 6 6.404 -3.027 -21.577 1.00 0.00 C ATOM 91 CG LYS A 6 7.377 -1.881 -21.266 1.00 0.00 C ATOM 92 CD LYS A 6 6.591 -0.646 -20.817 1.00 0.00 C ATOM 93 CE LYS A 6 7.553 0.402 -20.252 1.00 0.00 C ATOM 94 NZ LYS A 6 7.037 1.770 -20.551 1.00 0.00 N ATOM 0 H LYS A 6 7.037 -3.234 -19.149 1.00 0.00 H new ATOM 0 HA LYS A 6 4.648 -2.363 -20.523 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.955 -3.960 -21.698 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.892 -2.834 -22.520 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.074 -2.184 -20.485 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.971 -1.645 -22.149 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.038 -0.229 -21.659 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.857 -0.925 -20.061 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.659 0.270 -19.175 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.544 0.273 -20.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.692 2.480 -20.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.958 1.894 -21.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.101 1.891 -20.115 1.00 0.00 H new ATOM 108 N ALA A 7 5.307 -5.548 -20.019 1.00 0.00 N ATOM 109 CA ALA A 7 4.741 -6.897 -20.051 1.00 0.00 C ATOM 110 C ALA A 7 3.619 -7.039 -19.015 1.00 0.00 C ATOM 111 O ALA A 7 2.718 -7.864 -19.176 1.00 0.00 O ATOM 112 CB ALA A 7 5.825 -7.934 -19.751 1.00 0.00 C ATOM 0 H ALA A 7 6.208 -5.478 -19.546 1.00 0.00 H new ATOM 0 HA ALA A 7 4.335 -7.066 -21.048 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.390 -8.933 -19.778 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.615 -7.862 -20.499 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.244 -7.747 -18.762 1.00 0.00 H new ATOM 118 N ALA A 8 3.687 -6.228 -17.951 1.00 0.00 N ATOM 119 CA ALA A 8 2.679 -6.273 -16.893 1.00 0.00 C ATOM 120 C ALA A 8 1.490 -5.370 -17.221 1.00 0.00 C ATOM 121 O ALA A 8 0.343 -5.731 -16.956 1.00 0.00 O ATOM 122 CB ALA A 8 3.282 -5.835 -15.560 1.00 0.00 C ATOM 0 H ALA A 8 4.425 -5.539 -17.804 1.00 0.00 H new ATOM 0 HA ALA A 8 2.331 -7.303 -16.819 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.517 -5.875 -14.784 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.103 -6.502 -15.295 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.657 -4.815 -15.648 1.00 0.00 H new ATOM 128 N VAL A 9 1.770 -4.193 -17.799 1.00 0.00 N ATOM 129 CA VAL A 9 0.698 -3.255 -18.153 1.00 0.00 C ATOM 130 C VAL A 9 -0.292 -3.907 -19.126 1.00 0.00 C ATOM 131 O VAL A 9 -1.496 -3.648 -19.066 1.00 0.00 O ATOM 132 CB VAL A 9 1.277 -1.970 -18.767 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.649 -2.194 -20.235 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.239 -0.847 -18.672 1.00 0.00 C ATOM 0 H VAL A 9 2.711 -3.873 -18.027 1.00 0.00 H new ATOM 0 HA VAL A 9 0.166 -2.992 -17.239 1.00 0.00 H new ATOM 0 HB VAL A 9 2.176 -1.694 -18.216 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.057 -1.273 -20.652 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.395 -2.985 -20.305 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.760 -2.483 -20.796 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.648 0.065 -19.107 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.661 -1.136 -19.215 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.010 -0.670 -17.626 1.00 0.00 H new ATOM 144 N GLU A 10 0.230 -4.770 -20.008 1.00 0.00 N ATOM 145 CA GLU A 10 -0.614 -5.471 -20.977 1.00 0.00 C ATOM 146 C GLU A 10 -1.509 -6.496 -20.272 1.00 0.00 C ATOM 147 O GLU A 10 -2.582 -6.839 -20.772 1.00 0.00 O ATOM 148 CB GLU A 10 0.247 -6.199 -22.017 1.00 0.00 C ATOM 149 CG GLU A 10 0.677 -5.220 -23.114 1.00 0.00 C ATOM 150 CD GLU A 10 -0.472 -5.011 -24.098 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.627 -5.837 -24.983 1.00 0.00 O ATOM 152 OE2 GLU A 10 -1.179 -4.027 -23.953 1.00 0.00 O ATOM 0 H GLU A 10 1.223 -4.996 -20.068 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.235 -4.726 -21.475 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.126 -6.630 -21.537 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.315 -7.025 -22.454 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.967 -4.267 -22.671 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.551 -5.607 -23.638 1.00 0.00 H new ATOM 159 N GLN A 11 -1.062 -6.975 -19.101 1.00 0.00 N ATOM 160 CA GLN A 11 -1.837 -7.954 -18.334 1.00 0.00 C ATOM 161 C GLN A 11 -2.956 -7.256 -17.558 1.00 0.00 C ATOM 162 O GLN A 11 -4.029 -7.826 -17.350 1.00 0.00 O ATOM 163 CB GLN A 11 -0.937 -8.706 -17.345 1.00 0.00 C ATOM 164 CG GLN A 11 0.218 -9.375 -18.098 1.00 0.00 C ATOM 165 CD GLN A 11 -0.172 -10.801 -18.478 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.108 -11.745 -17.738 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.806 -11.018 -19.599 1.00 0.00 N ATOM 0 H GLN A 11 -0.178 -6.703 -18.671 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.268 -8.665 -19.039 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.545 -8.015 -16.599 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.518 -9.457 -16.810 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.460 -8.803 -18.994 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.113 -9.386 -17.475 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.039 -10.237 -20.213 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.069 -11.968 -19.861 1.00 0.00 H new ATOM 176 N LEU A 12 -2.690 -6.016 -17.137 1.00 0.00 N ATOM 177 CA LEU A 12 -3.675 -5.236 -16.385 1.00 0.00 C ATOM 178 C LEU A 12 -4.895 -4.939 -17.256 1.00 0.00 C ATOM 179 O LEU A 12 -4.768 -4.473 -18.390 1.00 0.00 O ATOM 180 CB LEU A 12 -3.073 -3.909 -15.904 1.00 0.00 C ATOM 181 CG LEU A 12 -1.665 -3.994 -15.298 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.370 -2.717 -14.507 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.571 -5.206 -14.365 1.00 0.00 C ATOM 0 H LEU A 12 -1.807 -5.534 -17.303 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.975 -5.827 -15.520 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.044 -3.218 -16.747 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.742 -3.477 -15.160 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.936 -4.102 -16.101 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.370 -2.778 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.427 -1.856 -15.172 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.103 -2.607 -13.707 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.569 -5.260 -13.939 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.302 -5.105 -13.563 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.775 -6.116 -14.929 1.00 0.00 H new ATOM 195 N THR A 13 -6.078 -5.219 -16.708 1.00 0.00 N ATOM 196 CA THR A 13 -7.330 -4.985 -17.434 1.00 0.00 C ATOM 197 C THR A 13 -8.014 -3.717 -16.935 1.00 0.00 C ATOM 198 O THR A 13 -7.659 -3.171 -15.886 1.00 0.00 O ATOM 199 CB THR A 13 -8.298 -6.165 -17.253 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.029 -6.831 -16.025 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.134 -7.144 -18.416 1.00 0.00 C ATOM 0 H THR A 13 -6.197 -5.605 -15.771 1.00 0.00 H new ATOM 0 HA THR A 13 -7.078 -4.878 -18.489 1.00 0.00 H new ATOM 0 HB THR A 13 -9.321 -5.789 -17.236 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.651 -7.580 -15.916 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.821 -7.981 -18.287 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.355 -6.635 -19.354 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.110 -7.516 -18.437 1.00 0.00 H new ATOM 209 N ASP A 14 -9.016 -3.264 -17.694 1.00 0.00 N ATOM 210 CA ASP A 14 -9.770 -2.069 -17.320 1.00 0.00 C ATOM 211 C ASP A 14 -10.465 -2.287 -15.976 1.00 0.00 C ATOM 212 O ASP A 14 -10.613 -1.355 -15.187 1.00 0.00 O ATOM 213 CB ASP A 14 -10.827 -1.736 -18.376 1.00 0.00 C ATOM 214 CG ASP A 14 -10.922 -0.221 -18.542 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.620 0.399 -17.757 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.290 0.295 -19.451 1.00 0.00 O ATOM 0 H ASP A 14 -9.320 -3.703 -18.563 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.067 -1.239 -17.246 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.566 -2.201 -19.327 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.794 -2.141 -18.078 1.00 0.00 H new ATOM 221 N GLU A 15 -10.879 -3.537 -15.728 1.00 0.00 N ATOM 222 CA GLU A 15 -11.549 -3.886 -14.472 1.00 0.00 C ATOM 223 C GLU A 15 -10.621 -3.630 -13.281 1.00 0.00 C ATOM 224 O GLU A 15 -11.039 -3.070 -12.267 1.00 0.00 O ATOM 225 CB GLU A 15 -11.961 -5.360 -14.473 1.00 0.00 C ATOM 226 CG GLU A 15 -13.253 -5.532 -15.276 1.00 0.00 C ATOM 227 CD GLU A 15 -13.430 -7.003 -15.644 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.871 -7.415 -16.648 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.121 -7.696 -14.915 1.00 0.00 O ATOM 0 H GLU A 15 -10.762 -4.316 -16.376 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.438 -3.261 -14.383 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.168 -5.969 -14.906 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.108 -5.708 -13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.106 -5.187 -14.692 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.217 -4.922 -16.179 1.00 0.00 H new ATOM 236 N GLN A 16 -9.354 -4.039 -13.423 1.00 0.00 N ATOM 237 CA GLN A 16 -8.364 -3.842 -12.358 1.00 0.00 C ATOM 238 C GLN A 16 -8.188 -2.353 -12.064 1.00 0.00 C ATOM 239 O GLN A 16 -8.207 -1.934 -10.906 1.00 0.00 O ATOM 240 CB GLN A 16 -7.010 -4.435 -12.761 1.00 0.00 C ATOM 241 CG GLN A 16 -6.929 -5.894 -12.304 1.00 0.00 C ATOM 242 CD GLN A 16 -5.496 -6.222 -11.895 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.141 -6.124 -10.720 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.641 -6.610 -12.803 1.00 0.00 N ATOM 0 H GLN A 16 -8.993 -4.504 -14.256 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.728 -4.350 -11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.883 -4.375 -13.842 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.201 -3.858 -12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.605 -6.061 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.249 -6.556 -13.108 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.933 -6.692 -13.777 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.681 -6.831 -12.538 1.00 0.00 H new ATOM 253 N LYS A 17 -8.030 -1.559 -13.129 1.00 0.00 N ATOM 254 CA LYS A 17 -7.865 -0.111 -12.977 1.00 0.00 C ATOM 255 C LYS A 17 -9.161 0.530 -12.469 1.00 0.00 C ATOM 256 O LYS A 17 -9.126 1.538 -11.765 1.00 0.00 O ATOM 257 CB LYS A 17 -7.470 0.536 -14.310 1.00 0.00 C ATOM 258 CG LYS A 17 -5.942 0.568 -14.429 1.00 0.00 C ATOM 259 CD LYS A 17 -5.461 -0.660 -15.207 1.00 0.00 C ATOM 260 CE LYS A 17 -4.174 -0.322 -15.964 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.288 -0.787 -17.377 1.00 0.00 N ATOM 0 H LYS A 17 -8.013 -1.890 -14.094 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.071 0.057 -12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.898 -0.025 -15.140 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.871 1.548 -14.369 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.626 1.479 -14.937 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.490 0.582 -13.437 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.284 -1.489 -14.522 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.231 -0.983 -15.907 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.996 0.753 -15.938 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.320 -0.798 -15.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.374 -0.665 -17.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.555 -1.792 -17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.015 -0.229 -17.869 1.00 0.00 H new ATOM 275 N ASN A 18 -10.302 -0.076 -12.823 1.00 0.00 N ATOM 276 CA ASN A 18 -11.604 0.432 -12.384 1.00 0.00 C ATOM 277 C ASN A 18 -11.709 0.344 -10.861 1.00 0.00 C ATOM 278 O ASN A 18 -12.120 1.297 -10.198 1.00 0.00 O ATOM 279 CB ASN A 18 -12.746 -0.379 -13.013 1.00 0.00 C ATOM 280 CG ASN A 18 -13.231 0.304 -14.290 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.367 1.528 -14.338 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.512 -0.422 -15.338 1.00 0.00 N ATOM 0 H ASN A 18 -10.348 -0.911 -13.407 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.689 1.471 -12.703 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.404 -1.389 -13.239 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.570 -0.472 -12.305 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.843 0.024 -16.193 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.400 -1.435 -15.301 1.00 0.00 H new ATOM 289 N GLU A 19 -11.310 -0.812 -10.319 1.00 0.00 N ATOM 290 CA GLU A 19 -11.339 -1.023 -8.868 1.00 0.00 C ATOM 291 C GLU A 19 -10.246 -0.194 -8.201 1.00 0.00 C ATOM 292 O GLU A 19 -10.442 0.354 -7.118 1.00 0.00 O ATOM 293 CB GLU A 19 -11.115 -2.500 -8.522 1.00 0.00 C ATOM 294 CG GLU A 19 -12.145 -3.370 -9.247 1.00 0.00 C ATOM 295 CD GLU A 19 -13.523 -3.171 -8.619 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.806 -3.835 -7.636 1.00 0.00 O ATOM 297 OE2 GLU A 19 -14.275 -2.358 -9.133 1.00 0.00 O ATOM 0 H GLU A 19 -10.967 -1.608 -10.857 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.320 -0.716 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.107 -2.800 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.197 -2.646 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.176 -3.108 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.856 -4.419 -9.187 1.00 0.00 H new ATOM 304 N PHE A 20 -9.091 -0.110 -8.871 1.00 0.00 N ATOM 305 CA PHE A 20 -7.956 0.655 -8.351 1.00 0.00 C ATOM 306 C PHE A 20 -8.305 2.141 -8.242 1.00 0.00 C ATOM 307 O PHE A 20 -7.955 2.798 -7.261 1.00 0.00 O ATOM 308 CB PHE A 20 -6.736 0.493 -9.270 1.00 0.00 C ATOM 309 CG PHE A 20 -5.934 -0.727 -8.865 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.561 -1.824 -8.255 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.557 -0.759 -9.105 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.809 -2.943 -7.886 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.806 -1.878 -8.736 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.432 -2.972 -8.126 1.00 0.00 C ATOM 0 H PHE A 20 -8.920 -0.561 -9.770 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.721 0.269 -7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.062 0.396 -10.306 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.110 1.383 -9.215 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.625 -1.804 -8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.073 0.083 -9.577 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.292 -3.786 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.742 -1.899 -8.921 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.852 -3.837 -7.841 1.00 0.00 H new ATOM 324 N LYS A 21 -9.005 2.659 -9.258 1.00 0.00 N ATOM 325 CA LYS A 21 -9.406 4.068 -9.270 1.00 0.00 C ATOM 326 C LYS A 21 -10.382 4.352 -8.128 1.00 0.00 C ATOM 327 O LYS A 21 -10.240 5.342 -7.409 1.00 0.00 O ATOM 328 CB LYS A 21 -10.067 4.431 -10.607 1.00 0.00 C ATOM 329 CG LYS A 21 -10.425 5.923 -10.630 1.00 0.00 C ATOM 330 CD LYS A 21 -9.161 6.765 -10.418 1.00 0.00 C ATOM 331 CE LYS A 21 -9.461 8.232 -10.738 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.063 8.894 -9.545 1.00 0.00 N ATOM 0 H LYS A 21 -9.303 2.127 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.510 4.676 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.392 4.198 -11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.965 3.831 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.889 6.180 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.154 6.143 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.817 6.670 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.357 6.400 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.544 8.746 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.144 8.297 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.265 9.890 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.947 8.410 -9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.397 8.845 -8.748 1.00 0.00 H new ATOM 346 N ALA A 22 -11.368 3.463 -7.964 1.00 0.00 N ATOM 347 CA ALA A 22 -12.358 3.619 -6.897 1.00 0.00 C ATOM 348 C ALA A 22 -11.698 3.427 -5.531 1.00 0.00 C ATOM 349 O ALA A 22 -11.951 4.189 -4.598 1.00 0.00 O ATOM 350 CB ALA A 22 -13.491 2.602 -7.057 1.00 0.00 C ATOM 0 H ALA A 22 -11.500 2.638 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.771 4.626 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.216 2.735 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.983 2.753 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.083 1.592 -7.013 1.00 0.00 H new ATOM 356 N ALA A 23 -10.834 2.408 -5.437 1.00 0.00 N ATOM 357 CA ALA A 23 -10.115 2.117 -4.190 1.00 0.00 C ATOM 358 C ALA A 23 -9.227 3.297 -3.785 1.00 0.00 C ATOM 359 O ALA A 23 -8.920 3.480 -2.606 1.00 0.00 O ATOM 360 CB ALA A 23 -9.234 0.874 -4.354 1.00 0.00 C ATOM 0 H ALA A 23 -10.617 1.774 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.861 1.940 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.709 0.674 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.857 0.017 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.508 1.045 -5.149 1.00 0.00 H new ATOM 366 N PHE A 24 -8.819 4.097 -4.776 1.00 0.00 N ATOM 367 CA PHE A 24 -7.975 5.256 -4.517 1.00 0.00 C ATOM 368 C PHE A 24 -8.833 6.456 -4.106 1.00 0.00 C ATOM 369 O PHE A 24 -8.620 7.047 -3.049 1.00 0.00 O ATOM 370 CB PHE A 24 -7.176 5.617 -5.777 1.00 0.00 C ATOM 371 CG PHE A 24 -5.932 6.393 -5.404 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.972 7.793 -5.328 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.734 5.714 -5.147 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.816 8.509 -4.994 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.580 6.432 -4.812 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.622 7.829 -4.736 1.00 0.00 C ATOM 0 H PHE A 24 -9.061 3.960 -5.757 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.289 5.008 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.900 4.709 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.794 6.210 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.894 8.319 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.701 4.636 -5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.847 9.587 -4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.657 5.908 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.731 8.382 -4.478 1.00 0.00 H new ATOM 386 N ASP A 25 -9.798 6.808 -4.966 1.00 0.00 N ATOM 387 CA ASP A 25 -10.684 7.954 -4.717 1.00 0.00 C ATOM 388 C ASP A 25 -11.387 7.877 -3.357 1.00 0.00 C ATOM 389 O ASP A 25 -11.567 8.903 -2.700 1.00 0.00 O ATOM 390 CB ASP A 25 -11.750 8.059 -5.815 1.00 0.00 C ATOM 391 CG ASP A 25 -12.058 9.529 -6.087 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.912 10.071 -5.402 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.438 10.091 -6.974 1.00 0.00 O ATOM 0 H ASP A 25 -9.985 6.316 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.045 8.837 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.398 7.576 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.656 7.537 -5.508 1.00 0.00 H new ATOM 398 N ILE A 26 -11.795 6.670 -2.941 1.00 0.00 N ATOM 399 CA ILE A 26 -12.485 6.512 -1.651 1.00 0.00 C ATOM 400 C ILE A 26 -11.646 7.098 -0.509 1.00 0.00 C ATOM 401 O ILE A 26 -12.183 7.718 0.412 1.00 0.00 O ATOM 402 CB ILE A 26 -12.789 5.036 -1.355 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.505 4.204 -1.472 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.832 4.525 -2.355 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.807 2.736 -1.163 1.00 0.00 C ATOM 0 H ILE A 26 -11.664 5.805 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.427 7.055 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.179 4.942 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.092 4.296 -2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.751 4.583 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.051 3.477 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.745 5.112 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.442 4.622 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.891 2.151 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.200 2.651 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.545 2.360 -1.871 1.00 0.00 H new ATOM 417 N PHE A 27 -10.325 6.911 -0.591 1.00 0.00 N ATOM 418 CA PHE A 27 -9.419 7.441 0.427 1.00 0.00 C ATOM 419 C PHE A 27 -9.093 8.910 0.139 1.00 0.00 C ATOM 420 O PHE A 27 -8.858 9.695 1.060 1.00 0.00 O ATOM 421 CB PHE A 27 -8.114 6.638 0.460 1.00 0.00 C ATOM 422 CG PHE A 27 -8.327 5.341 1.208 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.471 5.350 2.601 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.383 4.131 0.508 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.669 4.148 3.292 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.582 2.929 1.198 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.725 2.938 2.590 1.00 0.00 C ATOM 0 H PHE A 27 -9.865 6.401 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.917 7.360 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.778 6.431 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.330 7.222 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.429 6.284 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.273 4.124 -0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.778 4.155 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.625 1.996 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.879 2.011 3.123 1.00 0.00 H new ATOM 437 N ILE A 28 -9.081 9.272 -1.154 1.00 0.00 N ATOM 438 CA ILE A 28 -8.781 10.651 -1.563 1.00 0.00 C ATOM 439 C ILE A 28 -10.074 11.464 -1.715 1.00 0.00 C ATOM 440 O ILE A 28 -10.205 12.288 -2.627 1.00 0.00 O ATOM 441 CB ILE A 28 -8.012 10.666 -2.899 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.922 9.587 -2.907 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.349 12.027 -3.113 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.226 9.519 -1.544 1.00 0.00 C ATOM 0 H ILE A 28 -9.274 8.635 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.162 11.102 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.727 10.470 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.362 8.619 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.191 9.806 -3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.809 12.024 -4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.113 12.805 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.652 12.224 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.455 8.748 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.769 10.483 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.958 9.277 -0.773 1.00 0.00 H new ATOM 456 N GLN A 29 -11.024 11.237 -0.803 1.00 0.00 N ATOM 457 CA GLN A 29 -12.294 11.967 -0.838 1.00 0.00 C ATOM 458 C GLN A 29 -12.090 13.402 -0.343 1.00 0.00 C ATOM 459 O GLN A 29 -12.748 14.332 -0.814 1.00 0.00 O ATOM 460 CB GLN A 29 -13.368 11.274 0.021 1.00 0.00 C ATOM 461 CG GLN A 29 -12.821 10.965 1.421 1.00 0.00 C ATOM 462 CD GLN A 29 -13.962 10.510 2.328 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.878 11.280 2.620 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.964 9.291 2.797 1.00 0.00 N ATOM 0 H GLN A 29 -10.940 10.563 -0.042 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.640 11.980 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.247 11.914 0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.689 10.351 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.059 10.188 1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.342 11.850 1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.207 8.651 2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.723 8.979 3.403 1.00 0.00 H new ATOM 473 N ASP A 30 -11.157 13.569 0.601 1.00 0.00 N ATOM 474 CA ASP A 30 -10.850 14.894 1.147 1.00 0.00 C ATOM 475 C ASP A 30 -9.397 14.949 1.637 1.00 0.00 C ATOM 476 O ASP A 30 -9.095 15.548 2.674 1.00 0.00 O ATOM 477 CB ASP A 30 -11.801 15.252 2.302 1.00 0.00 C ATOM 478 CG ASP A 30 -12.053 14.035 3.195 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.109 13.555 3.802 1.00 0.00 O ATOM 480 OD2 ASP A 30 -13.194 13.606 3.265 1.00 0.00 O ATOM 0 H ASP A 30 -10.606 12.809 1.000 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.987 15.622 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.373 16.061 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.747 15.617 1.901 1.00 0.00 H new ATOM 485 N ALA A 31 -8.498 14.320 0.872 1.00 0.00 N ATOM 486 CA ALA A 31 -7.078 14.302 1.225 1.00 0.00 C ATOM 487 C ALA A 31 -6.454 15.681 1.011 1.00 0.00 C ATOM 488 O ALA A 31 -6.890 16.450 0.151 1.00 0.00 O ATOM 489 CB ALA A 31 -6.324 13.279 0.373 1.00 0.00 C ATOM 0 H ALA A 31 -8.727 13.821 0.012 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.000 14.026 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.270 13.281 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.742 12.287 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.422 13.540 -0.681 1.00 0.00 H new ATOM 495 N GLU A 32 -5.426 15.979 1.806 1.00 0.00 N ATOM 496 CA GLU A 32 -4.734 17.269 1.705 1.00 0.00 C ATOM 497 C GLU A 32 -3.854 17.301 0.455 1.00 0.00 C ATOM 498 O GLU A 32 -3.913 18.243 -0.337 1.00 0.00 O ATOM 499 CB GLU A 32 -3.859 17.518 2.938 1.00 0.00 C ATOM 500 CG GLU A 32 -4.739 17.619 4.187 1.00 0.00 C ATOM 501 CD GLU A 32 -3.859 17.815 5.418 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.432 16.820 5.983 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.625 18.957 5.780 1.00 0.00 O ATOM 0 H GLU A 32 -5.055 15.353 2.521 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.492 18.050 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.139 16.708 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.287 18.437 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.434 18.453 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.338 16.715 4.296 1.00 0.00 H new ATOM 510 N ASP A 33 -3.049 16.251 0.289 1.00 0.00 N ATOM 511 CA ASP A 33 -2.159 16.143 -0.870 1.00 0.00 C ATOM 512 C ASP A 33 -2.874 15.453 -2.037 1.00 0.00 C ATOM 513 O ASP A 33 -2.591 15.734 -3.204 1.00 0.00 O ATOM 514 CB ASP A 33 -0.902 15.339 -0.502 1.00 0.00 C ATOM 515 CG ASP A 33 0.087 15.354 -1.666 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.750 16.361 -1.845 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.167 14.353 -2.362 1.00 0.00 O ATOM 0 H ASP A 33 -2.994 15.466 0.938 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.872 17.151 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.436 15.764 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.175 14.312 -0.259 1.00 0.00 H new ATOM 522 N GLY A 34 -3.799 14.544 -1.707 1.00 0.00 N ATOM 523 CA GLY A 34 -4.549 13.810 -2.727 1.00 0.00 C ATOM 524 C GLY A 34 -3.999 12.391 -2.894 1.00 0.00 C ATOM 525 O GLY A 34 -4.037 11.826 -3.989 1.00 0.00 O ATOM 0 H GLY A 34 -4.044 14.302 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.602 13.766 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.493 14.340 -3.678 1.00 0.00 H new ATOM 529 N CYS A 35 -3.483 11.827 -1.795 1.00 0.00 N ATOM 530 CA CYS A 35 -2.918 10.476 -1.821 1.00 0.00 C ATOM 531 C CYS A 35 -3.207 9.746 -0.508 1.00 0.00 C ATOM 532 O CYS A 35 -3.789 10.314 0.420 1.00 0.00 O ATOM 533 CB CYS A 35 -1.404 10.538 -2.028 1.00 0.00 C ATOM 534 SG CYS A 35 -1.029 11.523 -3.498 1.00 0.00 S ATOM 0 H CYS A 35 -3.446 12.283 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.381 9.935 -2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.925 10.977 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.001 9.531 -2.140 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.526 12.666 -3.138 1.00 0.00 H new ATOM 540 N ILE A 36 -2.786 8.480 -0.440 1.00 0.00 N ATOM 541 CA ILE A 36 -2.994 7.675 0.766 1.00 0.00 C ATOM 542 C ILE A 36 -1.677 7.516 1.530 1.00 0.00 C ATOM 543 O ILE A 36 -0.643 8.048 1.126 1.00 0.00 O ATOM 544 CB ILE A 36 -3.554 6.290 0.407 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.637 5.597 -0.610 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.954 6.440 -0.191 1.00 0.00 C ATOM 547 CD1 ILE A 36 -2.098 4.301 -0.006 1.00 0.00 C ATOM 0 H ILE A 36 -2.304 7.995 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.717 8.191 1.398 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.606 5.685 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.188 5.383 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.812 6.256 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.349 5.456 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.611 6.918 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.902 7.053 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.446 3.807 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.533 4.528 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.930 3.642 0.242 1.00 0.00 H new ATOM 559 N SER A 37 -1.727 6.779 2.642 1.00 0.00 N ATOM 560 CA SER A 37 -0.534 6.556 3.455 1.00 0.00 C ATOM 561 C SER A 37 0.155 5.257 3.048 1.00 0.00 C ATOM 562 O SER A 37 -0.500 4.274 2.692 1.00 0.00 O ATOM 563 CB SER A 37 -0.903 6.484 4.939 1.00 0.00 C ATOM 564 OG SER A 37 0.260 6.715 5.724 1.00 0.00 O ATOM 0 H SER A 37 -2.573 6.331 2.996 1.00 0.00 H new ATOM 0 HA SER A 37 0.146 7.392 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.666 7.226 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.326 5.507 5.173 1.00 0.00 H new ATOM 0 HG SER A 37 0.027 6.671 6.675 1.00 0.00 H new ATOM 570 N THR A 38 1.486 5.265 3.111 1.00 0.00 N ATOM 571 CA THR A 38 2.280 4.084 2.757 1.00 0.00 C ATOM 572 C THR A 38 1.872 2.882 3.612 1.00 0.00 C ATOM 573 O THR A 38 1.661 1.785 3.096 1.00 0.00 O ATOM 574 CB THR A 38 3.777 4.358 2.951 1.00 0.00 C ATOM 575 OG1 THR A 38 3.986 5.032 4.186 1.00 0.00 O ATOM 576 CG2 THR A 38 4.287 5.229 1.802 1.00 0.00 C ATOM 0 H THR A 38 2.038 6.072 3.402 1.00 0.00 H new ATOM 0 HA THR A 38 2.090 3.859 1.708 1.00 0.00 H new ATOM 0 HB THR A 38 4.319 3.412 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.943 5.204 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.351 5.425 1.938 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.132 4.711 0.856 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.743 6.173 1.792 1.00 0.00 H new ATOM 584 N LYS A 39 1.749 3.104 4.925 1.00 0.00 N ATOM 585 CA LYS A 39 1.349 2.033 5.847 1.00 0.00 C ATOM 586 C LYS A 39 -0.065 1.522 5.527 1.00 0.00 C ATOM 587 O LYS A 39 -0.395 0.370 5.816 1.00 0.00 O ATOM 588 CB LYS A 39 1.392 2.530 7.299 1.00 0.00 C ATOM 589 CG LYS A 39 0.385 3.671 7.499 1.00 0.00 C ATOM 590 CD LYS A 39 0.298 4.026 8.986 1.00 0.00 C ATOM 591 CE LYS A 39 -0.747 3.139 9.666 1.00 0.00 C ATOM 592 NZ LYS A 39 -0.929 3.577 11.080 1.00 0.00 N ATOM 0 H LYS A 39 1.918 4.006 5.371 1.00 0.00 H new ATOM 0 HA LYS A 39 2.055 1.212 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.163 1.709 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.397 2.875 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.691 4.545 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.596 3.373 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.270 3.889 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.031 5.076 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.695 3.200 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.430 2.097 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.639 2.974 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.025 3.497 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.250 4.566 11.098 1.00 0.00 H new ATOM 606 N GLU A 40 -0.892 2.391 4.928 1.00 0.00 N ATOM 607 CA GLU A 40 -2.267 2.020 4.573 1.00 0.00 C ATOM 608 C GLU A 40 -2.341 1.348 3.190 1.00 0.00 C ATOM 609 O GLU A 40 -3.426 0.959 2.748 1.00 0.00 O ATOM 610 CB GLU A 40 -3.163 3.263 4.562 1.00 0.00 C ATOM 611 CG GLU A 40 -3.815 3.446 5.935 1.00 0.00 C ATOM 612 CD GLU A 40 -5.115 4.230 5.782 1.00 0.00 C ATOM 613 OE1 GLU A 40 -6.140 3.606 5.559 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.067 5.445 5.886 1.00 0.00 O ATOM 0 H GLU A 40 -0.635 3.347 4.682 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.611 1.310 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.574 4.145 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.931 3.162 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.015 2.474 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.136 3.975 6.604 1.00 0.00 H new ATOM 621 N LEU A 41 -1.193 1.210 2.509 1.00 0.00 N ATOM 622 CA LEU A 41 -1.170 0.582 1.186 1.00 0.00 C ATOM 623 C LEU A 41 -1.482 -0.916 1.281 1.00 0.00 C ATOM 624 O LEU A 41 -2.083 -1.491 0.375 1.00 0.00 O ATOM 625 CB LEU A 41 0.196 0.773 0.521 1.00 0.00 C ATOM 626 CG LEU A 41 0.281 0.332 -0.944 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.984 0.765 -1.693 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.509 0.969 -1.599 1.00 0.00 C ATOM 0 H LEU A 41 -0.283 1.521 2.849 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.937 1.065 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.467 1.827 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.940 0.219 1.093 1.00 0.00 H new ATOM 0 HG LEU A 41 0.368 -0.754 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.917 0.448 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.857 0.305 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.079 1.850 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.569 0.655 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.425 2.055 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.409 0.651 -1.072 1.00 0.00 H new ATOM 640 N GLY A 42 -1.085 -1.541 2.393 1.00 0.00 N ATOM 641 CA GLY A 42 -1.357 -2.966 2.591 1.00 0.00 C ATOM 642 C GLY A 42 -2.840 -3.204 2.915 1.00 0.00 C ATOM 643 O GLY A 42 -3.308 -4.345 2.919 1.00 0.00 O ATOM 0 H GLY A 42 -0.582 -1.091 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.084 -3.520 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.738 -3.349 3.402 1.00 0.00 H new ATOM 647 N LYS A 43 -3.571 -2.112 3.188 1.00 0.00 N ATOM 648 CA LYS A 43 -4.993 -2.197 3.515 1.00 0.00 C ATOM 649 C LYS A 43 -5.852 -2.200 2.246 1.00 0.00 C ATOM 650 O LYS A 43 -6.888 -2.866 2.193 1.00 0.00 O ATOM 651 CB LYS A 43 -5.398 -1.005 4.386 1.00 0.00 C ATOM 652 CG LYS A 43 -6.728 -1.298 5.082 1.00 0.00 C ATOM 653 CD LYS A 43 -6.468 -2.022 6.405 1.00 0.00 C ATOM 654 CE LYS A 43 -7.535 -1.623 7.427 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.176 -2.171 8.766 1.00 0.00 N ATOM 0 H LYS A 43 -3.196 -1.163 3.187 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.158 -3.130 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.625 -0.806 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.488 -0.109 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.267 -0.368 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.359 -1.911 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.484 -3.101 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.477 -1.769 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.616 -0.537 7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.509 -2.002 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.902 -1.899 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.120 -3.208 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.255 -1.789 9.062 1.00 0.00 H new ATOM 669 N VAL A 44 -5.415 -1.448 1.227 1.00 0.00 N ATOM 670 CA VAL A 44 -6.160 -1.373 -0.033 1.00 0.00 C ATOM 671 C VAL A 44 -6.153 -2.727 -0.747 1.00 0.00 C ATOM 672 O VAL A 44 -7.120 -3.085 -1.422 1.00 0.00 O ATOM 673 CB VAL A 44 -5.581 -0.291 -0.958 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.696 1.076 -0.278 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.106 -0.580 -1.257 1.00 0.00 C ATOM 0 H VAL A 44 -4.561 -0.891 1.250 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.189 -1.105 0.208 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.142 -0.291 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.285 1.844 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.744 1.294 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.140 1.064 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.709 0.195 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.541 -0.590 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.017 -1.550 -1.746 1.00 0.00 H new ATOM 685 N MET A 45 -5.060 -3.482 -0.575 1.00 0.00 N ATOM 686 CA MET A 45 -4.946 -4.806 -1.189 1.00 0.00 C ATOM 687 C MET A 45 -6.009 -5.738 -0.612 1.00 0.00 C ATOM 688 O MET A 45 -6.596 -6.551 -1.329 1.00 0.00 O ATOM 689 CB MET A 45 -3.560 -5.421 -0.937 1.00 0.00 C ATOM 690 CG MET A 45 -2.452 -4.422 -1.300 1.00 0.00 C ATOM 691 SD MET A 45 -1.878 -4.750 -2.984 1.00 0.00 S ATOM 692 CE MET A 45 -3.385 -4.219 -3.828 1.00 0.00 C ATOM 0 H MET A 45 -4.251 -3.200 -0.021 1.00 0.00 H new ATOM 0 HA MET A 45 -5.089 -4.688 -2.263 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.469 -5.709 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.446 -6.330 -1.528 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.828 -3.402 -1.224 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.623 -4.510 -0.598 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.138 -3.877 -4.833 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.081 -5.056 -3.891 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.846 -3.404 -3.270 1.00 0.00 H new ATOM 702 N ARG A 46 -6.260 -5.591 0.692 1.00 0.00 N ATOM 703 CA ARG A 46 -7.267 -6.406 1.375 1.00 0.00 C ATOM 704 C ARG A 46 -8.674 -5.996 0.933 1.00 0.00 C ATOM 705 O ARG A 46 -9.574 -6.833 0.840 1.00 0.00 O ATOM 706 CB ARG A 46 -7.154 -6.246 2.895 1.00 0.00 C ATOM 707 CG ARG A 46 -6.365 -7.422 3.482 1.00 0.00 C ATOM 708 CD ARG A 46 -7.227 -8.167 4.507 1.00 0.00 C ATOM 709 NE ARG A 46 -8.424 -8.734 3.875 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.482 -9.134 4.598 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.470 -9.050 5.908 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.535 -9.619 3.990 1.00 0.00 N ATOM 0 H ARG A 46 -5.782 -4.919 1.293 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.090 -7.448 1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.657 -5.306 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.148 -6.204 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.062 -8.102 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.453 -7.059 3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.643 -8.964 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.521 -7.485 5.305 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.453 -8.827 2.860 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.651 -8.677 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.280 -9.357 6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.548 -9.691 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.342 -9.925 4.534 1.00 0.00 H new ATOM 726 N MET A 47 -8.847 -4.698 0.656 1.00 0.00 N ATOM 727 CA MET A 47 -10.142 -4.174 0.215 1.00 0.00 C ATOM 728 C MET A 47 -10.467 -4.648 -1.206 1.00 0.00 C ATOM 729 O MET A 47 -11.626 -4.911 -1.532 1.00 0.00 O ATOM 730 CB MET A 47 -10.136 -2.639 0.238 1.00 0.00 C ATOM 731 CG MET A 47 -11.342 -2.130 1.032 1.00 0.00 C ATOM 732 SD MET A 47 -12.760 -1.940 -0.077 1.00 0.00 S ATOM 733 CE MET A 47 -13.823 -3.189 0.689 1.00 0.00 C ATOM 0 H MET A 47 -8.110 -3.996 0.729 1.00 0.00 H new ATOM 0 HA MET A 47 -10.901 -4.548 0.902 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.212 -2.276 0.689 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.168 -2.250 -0.780 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.584 -2.829 1.833 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.104 -1.176 1.502 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.770 -3.240 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.330 -4.161 0.648 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.009 -2.920 1.729 1.00 0.00 H new ATOM 743 N LEU A 48 -9.430 -4.750 -2.047 1.00 0.00 N ATOM 744 CA LEU A 48 -9.614 -5.188 -3.434 1.00 0.00 C ATOM 745 C LEU A 48 -9.897 -6.692 -3.498 1.00 0.00 C ATOM 746 O LEU A 48 -10.943 -7.116 -3.994 1.00 0.00 O ATOM 747 CB LEU A 48 -8.367 -4.876 -4.267 1.00 0.00 C ATOM 748 CG LEU A 48 -8.130 -3.391 -4.559 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.627 -3.125 -4.676 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.820 -3.012 -5.874 1.00 0.00 C ATOM 0 H LEU A 48 -8.465 -4.537 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.467 -4.646 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.494 -5.271 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.441 -5.409 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.542 -2.792 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.460 -2.068 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.136 -3.393 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.214 -3.724 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.652 -1.955 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.409 -3.612 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.891 -3.199 -5.790 1.00 0.00 H new ATOM 762 N GLY A 49 -8.954 -7.489 -2.988 1.00 0.00 N ATOM 763 CA GLY A 49 -9.109 -8.945 -2.990 1.00 0.00 C ATOM 764 C GLY A 49 -7.759 -9.640 -2.821 1.00 0.00 C ATOM 765 O GLY A 49 -7.330 -10.408 -3.684 1.00 0.00 O ATOM 0 H GLY A 49 -8.084 -7.155 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.779 -9.244 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.572 -9.264 -3.924 1.00 0.00 H new ATOM 769 N GLN A 50 -7.099 -9.356 -1.696 1.00 0.00 N ATOM 770 CA GLN A 50 -5.793 -9.949 -1.403 1.00 0.00 C ATOM 771 C GLN A 50 -5.582 -10.047 0.107 1.00 0.00 C ATOM 772 O GLN A 50 -6.363 -9.506 0.893 1.00 0.00 O ATOM 773 CB GLN A 50 -4.669 -9.104 -2.014 1.00 0.00 C ATOM 774 CG GLN A 50 -4.295 -9.663 -3.390 1.00 0.00 C ATOM 775 CD GLN A 50 -2.930 -9.122 -3.806 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.841 -8.086 -4.467 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.849 -9.767 -3.457 1.00 0.00 N ATOM 0 H GLN A 50 -7.446 -8.722 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.770 -10.948 -1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.990 -8.066 -2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.798 -9.111 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.272 -10.752 -3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.049 -9.382 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.921 -10.625 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.933 -9.413 -3.732 1.00 0.00 H new ATOM 786 N ASN A 51 -4.518 -10.746 0.507 1.00 0.00 N ATOM 787 CA ASN A 51 -4.214 -10.908 1.929 1.00 0.00 C ATOM 788 C ASN A 51 -2.716 -11.160 2.136 1.00 0.00 C ATOM 789 O ASN A 51 -2.292 -12.289 2.398 1.00 0.00 O ATOM 790 CB ASN A 51 -5.022 -12.073 2.521 1.00 0.00 C ATOM 791 CG ASN A 51 -5.246 -11.845 4.016 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.340 -11.411 4.730 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.411 -12.120 4.541 1.00 0.00 N ATOM 0 H ASN A 51 -3.860 -11.203 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.490 -9.987 2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.981 -12.159 2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.492 -13.012 2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.568 -11.975 5.538 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.163 -12.479 3.953 1.00 0.00 H new ATOM 800 N PRO A 52 -1.901 -10.102 2.023 1.00 0.00 N ATOM 801 CA PRO A 52 -0.438 -10.205 2.205 1.00 0.00 C ATOM 802 C PRO A 52 -0.030 -10.169 3.681 1.00 0.00 C ATOM 803 O PRO A 52 -0.871 -10.288 4.576 1.00 0.00 O ATOM 804 CB PRO A 52 0.064 -8.961 1.479 1.00 0.00 C ATOM 805 CG PRO A 52 -1.083 -7.960 1.464 1.00 0.00 C ATOM 806 CD PRO A 52 -2.380 -8.741 1.707 1.00 0.00 C ATOM 0 HA PRO A 52 -0.031 -11.143 1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.934 -8.543 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.375 -9.206 0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.941 -7.203 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.123 -7.438 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.958 -8.317 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.024 -8.735 0.828 1.00 0.00 H new ATOM 814 N THR A 53 1.269 -9.994 3.918 1.00 0.00 N ATOM 815 CA THR A 53 1.796 -9.931 5.283 1.00 0.00 C ATOM 816 C THR A 53 2.321 -8.518 5.565 1.00 0.00 C ATOM 817 O THR A 53 2.400 -7.687 4.658 1.00 0.00 O ATOM 818 CB THR A 53 2.931 -10.960 5.480 1.00 0.00 C ATOM 819 OG1 THR A 53 4.175 -10.397 5.087 1.00 0.00 O ATOM 820 CG2 THR A 53 2.658 -12.211 4.645 1.00 0.00 C ATOM 0 H THR A 53 1.974 -9.894 3.188 1.00 0.00 H new ATOM 0 HA THR A 53 0.992 -10.169 5.979 1.00 0.00 H new ATOM 0 HB THR A 53 2.973 -11.231 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.888 -11.056 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.464 -12.929 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.713 -12.657 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.601 -11.940 3.591 1.00 0.00 H new ATOM 828 N PRO A 54 2.697 -8.234 6.818 1.00 0.00 N ATOM 829 CA PRO A 54 3.229 -6.905 7.191 1.00 0.00 C ATOM 830 C PRO A 54 4.639 -6.670 6.651 1.00 0.00 C ATOM 831 O PRO A 54 5.029 -5.534 6.381 1.00 0.00 O ATOM 832 CB PRO A 54 3.214 -6.958 8.714 1.00 0.00 C ATOM 833 CG PRO A 54 3.234 -8.428 9.104 1.00 0.00 C ATOM 834 CD PRO A 54 2.630 -9.205 7.932 1.00 0.00 C ATOM 0 HA PRO A 54 2.646 -6.083 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.078 -6.437 9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.325 -6.466 9.109 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.252 -8.761 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.659 -8.594 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.197 -10.110 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.605 -9.513 8.138 1.00 0.00 H new ATOM 842 N GLU A 55 5.387 -7.760 6.477 1.00 0.00 N ATOM 843 CA GLU A 55 6.747 -7.676 5.942 1.00 0.00 C ATOM 844 C GLU A 55 6.703 -7.634 4.411 1.00 0.00 C ATOM 845 O GLU A 55 7.526 -6.977 3.771 1.00 0.00 O ATOM 846 CB GLU A 55 7.583 -8.883 6.387 1.00 0.00 C ATOM 847 CG GLU A 55 7.339 -9.164 7.873 1.00 0.00 C ATOM 848 CD GLU A 55 8.394 -10.137 8.393 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.427 -9.672 8.846 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.151 -11.331 8.332 1.00 0.00 O ATOM 0 H GLU A 55 5.077 -8.706 6.697 1.00 0.00 H new ATOM 0 HA GLU A 55 7.207 -6.765 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.319 -9.758 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.641 -8.688 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.377 -8.234 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.343 -9.583 8.015 1.00 0.00 H new ATOM 857 N GLU A 56 5.725 -8.352 3.839 1.00 0.00 N ATOM 858 CA GLU A 56 5.559 -8.410 2.384 1.00 0.00 C ATOM 859 C GLU A 56 5.063 -7.072 1.832 1.00 0.00 C ATOM 860 O GLU A 56 5.685 -6.497 0.934 1.00 0.00 O ATOM 861 CB GLU A 56 4.557 -9.506 2.006 1.00 0.00 C ATOM 862 CG GLU A 56 4.822 -9.979 0.574 1.00 0.00 C ATOM 863 CD GLU A 56 4.211 -11.364 0.374 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.012 -11.435 0.155 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.951 -12.331 0.444 1.00 0.00 O ATOM 0 H GLU A 56 5.040 -8.898 4.362 1.00 0.00 H new ATOM 0 HA GLU A 56 6.533 -8.634 1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.643 -10.344 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.539 -9.126 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.393 -9.274 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.895 -10.012 0.383 1.00 0.00 H new ATOM 872 N LEU A 57 3.937 -6.583 2.369 1.00 0.00 N ATOM 873 CA LEU A 57 3.373 -5.311 1.906 1.00 0.00 C ATOM 874 C LEU A 57 4.331 -4.141 2.189 1.00 0.00 C ATOM 875 O LEU A 57 4.264 -3.105 1.528 1.00 0.00 O ATOM 876 CB LEU A 57 1.974 -5.073 2.526 1.00 0.00 C ATOM 877 CG LEU A 57 1.849 -4.097 3.717 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.903 -4.402 4.783 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.002 -2.650 3.230 1.00 0.00 C ATOM 0 H LEU A 57 3.408 -7.040 3.111 1.00 0.00 H new ATOM 0 HA LEU A 57 3.248 -5.367 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.318 -4.714 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.586 -6.039 2.848 1.00 0.00 H new ATOM 0 HG LEU A 57 0.862 -4.224 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.796 -3.702 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.767 -5.420 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.898 -4.301 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.912 -1.970 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.980 -2.524 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.223 -2.427 2.501 1.00 0.00 H new ATOM 891 N GLN A 58 5.241 -4.328 3.159 1.00 0.00 N ATOM 892 CA GLN A 58 6.220 -3.287 3.493 1.00 0.00 C ATOM 893 C GLN A 58 7.193 -3.076 2.330 1.00 0.00 C ATOM 894 O GLN A 58 7.530 -1.943 1.989 1.00 0.00 O ATOM 895 CB GLN A 58 7.020 -3.664 4.746 1.00 0.00 C ATOM 896 CG GLN A 58 7.080 -2.467 5.704 1.00 0.00 C ATOM 897 CD GLN A 58 7.848 -1.317 5.050 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.077 -1.273 5.109 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.190 -0.377 4.426 1.00 0.00 N ATOM 0 H GLN A 58 5.317 -5.178 3.717 1.00 0.00 H new ATOM 0 HA GLN A 58 5.668 -2.367 3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.555 -4.516 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.029 -3.969 4.467 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.071 -2.143 5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.567 -2.759 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.172 -0.414 4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.694 0.394 3.988 1.00 0.00 H new ATOM 908 N GLU A 59 7.628 -4.181 1.714 1.00 0.00 N ATOM 909 CA GLU A 59 8.550 -4.102 0.575 1.00 0.00 C ATOM 910 C GLU A 59 7.880 -3.378 -0.589 1.00 0.00 C ATOM 911 O GLU A 59 8.513 -2.584 -1.284 1.00 0.00 O ATOM 912 CB GLU A 59 8.971 -5.502 0.115 1.00 0.00 C ATOM 913 CG GLU A 59 9.999 -6.081 1.089 1.00 0.00 C ATOM 914 CD GLU A 59 10.812 -7.164 0.385 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.378 -8.304 0.396 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.855 -6.837 -0.157 1.00 0.00 O ATOM 0 H GLU A 59 7.361 -5.129 1.980 1.00 0.00 H new ATOM 0 HA GLU A 59 9.435 -3.552 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.099 -6.154 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.394 -5.453 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.659 -5.292 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.495 -6.498 1.961 1.00 0.00 H new ATOM 923 N MET A 60 6.584 -3.652 -0.775 1.00 0.00 N ATOM 924 CA MET A 60 5.811 -3.015 -1.844 1.00 0.00 C ATOM 925 C MET A 60 5.822 -1.494 -1.681 1.00 0.00 C ATOM 926 O MET A 60 5.837 -0.759 -2.665 1.00 0.00 O ATOM 927 CB MET A 60 4.363 -3.512 -1.825 1.00 0.00 C ATOM 928 CG MET A 60 4.330 -5.009 -2.142 1.00 0.00 C ATOM 929 SD MET A 60 2.695 -5.459 -2.774 1.00 0.00 S ATOM 930 CE MET A 60 2.321 -6.738 -1.549 1.00 0.00 C ATOM 0 H MET A 60 6.052 -4.307 -0.202 1.00 0.00 H new ATOM 0 HA MET A 60 6.272 -3.278 -2.796 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.917 -3.327 -0.848 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.769 -2.962 -2.555 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.096 -5.252 -2.879 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.556 -5.586 -1.245 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.674 -7.492 -1.997 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.248 -7.206 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.816 -6.287 -0.695 1.00 0.00 H new ATOM 940 N ILE A 61 5.820 -1.036 -0.421 1.00 0.00 N ATOM 941 CA ILE A 61 5.837 0.399 -0.120 1.00 0.00 C ATOM 942 C ILE A 61 7.038 1.073 -0.788 1.00 0.00 C ATOM 943 O ILE A 61 6.883 1.800 -1.767 1.00 0.00 O ATOM 944 CB ILE A 61 5.908 0.620 1.400 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.635 0.085 2.075 1.00 0.00 C ATOM 946 CG2 ILE A 61 6.068 2.109 1.707 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.397 0.450 1.251 1.00 0.00 C ATOM 0 H ILE A 61 5.807 -1.638 0.402 1.00 0.00 H new ATOM 0 HA ILE A 61 4.919 0.841 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 61 6.770 0.080 1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.701 -0.998 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.546 0.501 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.117 2.255 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.985 2.478 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.216 2.657 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.505 0.063 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.323 1.534 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.480 0.013 0.256 1.00 0.00 H new ATOM 959 N ASP A 62 8.231 0.818 -0.243 1.00 0.00 N ATOM 960 CA ASP A 62 9.466 1.398 -0.784 1.00 0.00 C ATOM 961 C ASP A 62 9.630 1.067 -2.274 1.00 0.00 C ATOM 962 O ASP A 62 10.212 1.850 -3.029 1.00 0.00 O ATOM 963 CB ASP A 62 10.684 0.860 -0.024 1.00 0.00 C ATOM 964 CG ASP A 62 10.629 1.313 1.433 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.159 2.373 1.724 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.059 0.592 2.238 1.00 0.00 O ATOM 0 H ASP A 62 8.369 0.216 0.569 1.00 0.00 H new ATOM 0 HA ASP A 62 9.399 2.479 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.704 -0.229 -0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.602 1.218 -0.491 1.00 0.00 H new ATOM 971 N GLU A 63 9.115 -0.100 -2.687 1.00 0.00 N ATOM 972 CA GLU A 63 9.214 -0.527 -4.089 1.00 0.00 C ATOM 973 C GLU A 63 8.457 0.429 -5.016 1.00 0.00 C ATOM 974 O GLU A 63 8.969 0.821 -6.066 1.00 0.00 O ATOM 975 CB GLU A 63 8.645 -1.939 -4.263 1.00 0.00 C ATOM 976 CG GLU A 63 9.737 -2.978 -3.988 1.00 0.00 C ATOM 977 CD GLU A 63 10.341 -3.455 -5.307 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.294 -2.839 -5.758 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.843 -4.430 -5.845 1.00 0.00 O ATOM 0 H GLU A 63 8.631 -0.759 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 63 10.271 -0.519 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.808 -2.090 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.259 -2.063 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.513 -2.545 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.318 -3.824 -3.442 1.00 0.00 H new ATOM 986 N VAL A 64 7.233 0.794 -4.621 1.00 0.00 N ATOM 987 CA VAL A 64 6.412 1.699 -5.437 1.00 0.00 C ATOM 988 C VAL A 64 6.644 3.170 -5.064 1.00 0.00 C ATOM 989 O VAL A 64 6.249 4.067 -5.811 1.00 0.00 O ATOM 990 CB VAL A 64 4.918 1.380 -5.284 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.680 -0.108 -5.555 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.448 1.728 -3.866 1.00 0.00 C ATOM 0 H VAL A 64 6.793 0.483 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 64 6.715 1.544 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 64 4.352 1.975 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.619 -0.333 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.999 -0.349 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.252 -0.703 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.387 1.498 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.015 1.144 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.608 2.790 -3.680 1.00 0.00 H new ATOM 1002 N ASP A 65 7.276 3.414 -3.911 1.00 0.00 N ATOM 1003 CA ASP A 65 7.537 4.784 -3.474 1.00 0.00 C ATOM 1004 C ASP A 65 8.754 5.348 -4.207 1.00 0.00 C ATOM 1005 O ASP A 65 9.846 5.469 -3.645 1.00 0.00 O ATOM 1006 CB ASP A 65 7.764 4.839 -1.952 1.00 0.00 C ATOM 1007 CG ASP A 65 7.659 6.282 -1.440 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.980 7.084 -2.070 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.255 6.563 -0.415 1.00 0.00 O ATOM 0 H ASP A 65 7.611 2.691 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 65 6.664 5.392 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.028 4.214 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.746 4.433 -1.711 1.00 0.00 H new ATOM 1014 N GLU A 66 8.540 5.688 -5.480 1.00 0.00 N ATOM 1015 CA GLU A 66 9.609 6.242 -6.315 1.00 0.00 C ATOM 1016 C GLU A 66 9.878 7.715 -5.976 1.00 0.00 C ATOM 1017 O GLU A 66 10.929 8.256 -6.325 1.00 0.00 O ATOM 1018 CB GLU A 66 9.237 6.132 -7.798 1.00 0.00 C ATOM 1019 CG GLU A 66 9.361 4.672 -8.254 1.00 0.00 C ATOM 1020 CD GLU A 66 8.116 4.270 -9.043 1.00 0.00 C ATOM 1021 OE1 GLU A 66 8.057 4.585 -10.221 1.00 0.00 O ATOM 1022 OE2 GLU A 66 7.244 3.649 -8.459 1.00 0.00 O ATOM 0 H GLU A 66 7.642 5.590 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 66 10.512 5.665 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.218 6.487 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.891 6.767 -8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.250 4.549 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.481 4.020 -7.389 1.00 0.00 H new ATOM 1029 N ASP A 67 8.919 8.357 -5.299 1.00 0.00 N ATOM 1030 CA ASP A 67 9.061 9.766 -4.926 1.00 0.00 C ATOM 1031 C ASP A 67 9.818 9.910 -3.605 1.00 0.00 C ATOM 1032 O ASP A 67 10.705 10.757 -3.475 1.00 0.00 O ATOM 1033 CB ASP A 67 7.683 10.426 -4.776 1.00 0.00 C ATOM 1034 CG ASP A 67 6.811 10.093 -5.987 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.907 10.802 -6.976 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.063 9.132 -5.905 1.00 0.00 O ATOM 0 H ASP A 67 8.044 7.926 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 67 9.622 10.258 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.201 10.077 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.796 11.506 -4.684 1.00 0.00 H new ATOM 1041 N GLY A 68 9.446 9.085 -2.622 1.00 0.00 N ATOM 1042 CA GLY A 68 10.078 9.136 -1.303 1.00 0.00 C ATOM 1043 C GLY A 68 9.511 10.298 -0.487 1.00 0.00 C ATOM 1044 O GLY A 68 10.231 10.948 0.275 1.00 0.00 O ATOM 0 H GLY A 68 8.716 8.379 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.911 8.197 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.156 9.252 -1.413 1.00 0.00 H new ATOM 1048 N SER A 69 8.209 10.553 -0.667 1.00 0.00 N ATOM 1049 CA SER A 69 7.533 11.640 0.037 1.00 0.00 C ATOM 1050 C SER A 69 6.908 11.138 1.340 1.00 0.00 C ATOM 1051 O SER A 69 7.146 11.698 2.412 1.00 0.00 O ATOM 1052 CB SER A 69 6.435 12.239 -0.850 1.00 0.00 C ATOM 1053 OG SER A 69 5.625 11.192 -1.383 1.00 0.00 O ATOM 0 H SER A 69 7.607 10.020 -1.294 1.00 0.00 H new ATOM 0 HA SER A 69 8.275 12.404 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.821 12.928 -0.270 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.882 12.815 -1.660 1.00 0.00 H new ATOM 0 HG SER A 69 4.923 11.577 -1.948 1.00 0.00 H new ATOM 1059 N GLY A 70 6.100 10.083 1.228 1.00 0.00 N ATOM 1060 CA GLY A 70 5.424 9.506 2.391 1.00 0.00 C ATOM 1061 C GLY A 70 4.016 9.034 2.023 1.00 0.00 C ATOM 1062 O GLY A 70 3.476 8.116 2.645 1.00 0.00 O ATOM 0 H GLY A 70 5.898 9.612 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.005 8.667 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.367 10.247 3.189 1.00 0.00 H new ATOM 1066 N THR A 71 3.432 9.672 1.001 1.00 0.00 N ATOM 1067 CA THR A 71 2.087 9.314 0.547 1.00 0.00 C ATOM 1068 C THR A 71 2.165 8.486 -0.735 1.00 0.00 C ATOM 1069 O THR A 71 3.098 8.634 -1.531 1.00 0.00 O ATOM 1070 CB THR A 71 1.247 10.572 0.283 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.783 11.283 -0.827 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.262 11.472 1.521 1.00 0.00 C ATOM 0 H THR A 71 3.867 10.432 0.478 1.00 0.00 H new ATOM 0 HA THR A 71 1.612 8.728 1.334 1.00 0.00 H new ATOM 0 HB THR A 71 0.221 10.277 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.244 12.084 -0.994 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.665 12.364 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.844 10.930 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.288 11.764 1.746 1.00 0.00 H new ATOM 1080 N VAL A 72 1.175 7.613 -0.927 1.00 0.00 N ATOM 1081 CA VAL A 72 1.142 6.765 -2.117 1.00 0.00 C ATOM 1082 C VAL A 72 0.199 7.351 -3.163 1.00 0.00 C ATOM 1083 O VAL A 72 -1.014 7.433 -2.956 1.00 0.00 O ATOM 1084 CB VAL A 72 0.683 5.343 -1.770 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.891 4.432 -2.983 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.500 4.812 -0.587 1.00 0.00 C ATOM 0 H VAL A 72 0.396 7.476 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 72 2.155 6.723 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.373 5.359 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.565 3.421 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.308 4.807 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.947 4.418 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.172 3.802 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.557 4.796 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.353 5.460 0.277 1.00 0.00 H new ATOM 1096 N ASP A 73 0.779 7.744 -4.294 1.00 0.00 N ATOM 1097 CA ASP A 73 0.006 8.316 -5.395 1.00 0.00 C ATOM 1098 C ASP A 73 -0.556 7.196 -6.270 1.00 0.00 C ATOM 1099 O ASP A 73 -0.348 6.014 -5.992 1.00 0.00 O ATOM 1100 CB ASP A 73 0.895 9.223 -6.260 1.00 0.00 C ATOM 1101 CG ASP A 73 1.241 10.505 -5.503 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.985 10.424 -4.536 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.764 11.552 -5.907 1.00 0.00 O ATOM 0 H ASP A 73 1.781 7.677 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.809 8.904 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.809 8.695 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.381 9.469 -7.189 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.263 7.578 -7.336 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.840 6.591 -8.250 1.00 0.00 C ATOM 1110 C PHE A 74 -0.743 5.886 -9.049 1.00 0.00 C ATOM 1111 O PHE A 74 -0.879 4.715 -9.401 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.817 7.254 -9.219 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.813 6.228 -9.702 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.527 5.460 -8.778 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.021 6.049 -11.072 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.453 4.511 -9.223 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -4.948 5.101 -11.520 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.665 4.332 -10.595 1.00 0.00 C ATOM 0 H PHE A 74 -1.448 8.550 -7.585 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.375 5.857 -7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.335 8.076 -8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.276 7.679 -10.065 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.364 5.599 -7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.467 6.642 -11.785 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.004 3.917 -8.509 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.110 4.963 -12.579 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.381 3.601 -10.940 1.00 0.00 H new ATOM 1128 N ASP A 75 0.354 6.605 -9.313 1.00 0.00 N ATOM 1129 CA ASP A 75 1.480 6.027 -10.048 1.00 0.00 C ATOM 1130 C ASP A 75 2.092 4.893 -9.229 1.00 0.00 C ATOM 1131 O ASP A 75 2.463 3.850 -9.768 1.00 0.00 O ATOM 1132 CB ASP A 75 2.555 7.089 -10.317 1.00 0.00 C ATOM 1133 CG ASP A 75 2.348 7.688 -11.704 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.572 8.624 -11.813 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.967 7.202 -12.636 1.00 0.00 O ATOM 0 H ASP A 75 0.484 7.577 -9.032 1.00 0.00 H new ATOM 0 HA ASP A 75 1.113 5.647 -11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.504 7.872 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.547 6.643 -10.247 1.00 0.00 H new ATOM 1140 N GLU A 76 2.162 5.111 -7.912 1.00 0.00 N ATOM 1141 CA GLU A 76 2.699 4.109 -6.990 1.00 0.00 C ATOM 1142 C GLU A 76 1.630 3.052 -6.693 1.00 0.00 C ATOM 1143 O GLU A 76 1.941 1.909 -6.352 1.00 0.00 O ATOM 1144 CB GLU A 76 3.137 4.767 -5.674 1.00 0.00 C ATOM 1145 CG GLU A 76 3.890 6.071 -5.973 1.00 0.00 C ATOM 1146 CD GLU A 76 4.081 6.872 -4.686 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.650 6.337 -3.749 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.655 8.013 -4.656 1.00 0.00 O ATOM 0 H GLU A 76 1.853 5.973 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 76 3.564 3.639 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.266 4.973 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.777 4.087 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.859 5.847 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.334 6.663 -6.700 1.00 0.00 H new ATOM 1155 N PHE A 77 0.362 3.458 -6.838 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.773 2.568 -6.602 1.00 0.00 C ATOM 1157 C PHE A 77 -0.903 1.542 -7.735 1.00 0.00 C ATOM 1158 O PHE A 77 -1.223 0.376 -7.498 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.060 3.400 -6.519 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.185 2.579 -5.936 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.195 2.270 -4.571 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.222 2.135 -6.763 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.243 1.516 -4.034 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.270 1.380 -6.225 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.282 1.071 -4.860 1.00 0.00 C ATOM 0 H PHE A 77 0.100 4.403 -7.119 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.611 2.034 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.890 4.283 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.337 3.753 -7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.394 2.614 -3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.214 2.375 -7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.251 1.277 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.070 1.035 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.092 0.490 -4.444 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.663 2.000 -8.968 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.764 1.131 -10.144 1.00 0.00 C ATOM 1177 C LEU A 78 0.459 0.221 -10.285 1.00 0.00 C ATOM 1178 O LEU A 78 0.320 -0.968 -10.582 1.00 0.00 O ATOM 1179 CB LEU A 78 -0.898 1.976 -11.418 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.232 2.720 -11.593 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.519 2.910 -13.084 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.367 1.915 -10.953 1.00 0.00 C ATOM 0 H LEU A 78 -0.399 2.963 -9.177 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.649 0.509 -10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.091 2.709 -11.431 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.752 1.325 -12.280 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.165 3.693 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.465 3.437 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.717 3.492 -13.538 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.580 1.936 -13.570 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.309 2.449 -11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.435 0.938 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.166 1.784 -9.890 1.00 0.00 H new ATOM 1194 N VAL A 79 1.656 0.787 -10.084 1.00 0.00 N ATOM 1195 CA VAL A 79 2.893 0.000 -10.207 1.00 0.00 C ATOM 1196 C VAL A 79 2.910 -1.184 -9.239 1.00 0.00 C ATOM 1197 O VAL A 79 3.560 -2.190 -9.505 1.00 0.00 O ATOM 1198 CB VAL A 79 4.146 0.850 -9.955 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.346 1.830 -11.114 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.015 1.622 -8.639 1.00 0.00 C ATOM 0 H VAL A 79 1.795 1.768 -9.840 1.00 0.00 H new ATOM 0 HA VAL A 79 2.909 -0.367 -11.233 1.00 0.00 H new ATOM 0 HB VAL A 79 5.010 0.189 -9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.236 2.432 -10.932 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.468 1.274 -12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.477 2.483 -11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.912 2.219 -8.477 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.146 2.278 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.893 0.919 -7.815 1.00 0.00 H new ATOM 1210 N MET A 80 2.199 -1.051 -8.116 1.00 0.00 N ATOM 1211 CA MET A 80 2.140 -2.119 -7.106 1.00 0.00 C ATOM 1212 C MET A 80 1.878 -3.493 -7.738 1.00 0.00 C ATOM 1213 O MET A 80 2.380 -4.511 -7.256 1.00 0.00 O ATOM 1214 CB MET A 80 1.032 -1.831 -6.089 1.00 0.00 C ATOM 1215 CG MET A 80 1.650 -1.441 -4.746 1.00 0.00 C ATOM 1216 SD MET A 80 0.812 -2.332 -3.410 1.00 0.00 S ATOM 1217 CE MET A 80 -0.861 -1.712 -3.725 1.00 0.00 C ATOM 0 H MET A 80 1.657 -0.219 -7.881 1.00 0.00 H new ATOM 0 HA MET A 80 3.111 -2.140 -6.612 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.392 -1.027 -6.452 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.400 -2.711 -5.967 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.714 -1.676 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.561 -0.366 -4.592 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.456 -1.791 -2.815 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.810 -0.668 -4.036 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.325 -2.303 -4.514 1.00 0.00 H new ATOM 1227 N MET A 81 1.083 -3.515 -8.812 1.00 0.00 N ATOM 1228 CA MET A 81 0.760 -4.777 -9.489 1.00 0.00 C ATOM 1229 C MET A 81 1.896 -5.225 -10.415 1.00 0.00 C ATOM 1230 O MET A 81 2.307 -6.386 -10.390 1.00 0.00 O ATOM 1231 CB MET A 81 -0.523 -4.632 -10.316 1.00 0.00 C ATOM 1232 CG MET A 81 -1.733 -4.540 -9.384 1.00 0.00 C ATOM 1233 SD MET A 81 -2.067 -6.167 -8.660 1.00 0.00 S ATOM 1234 CE MET A 81 -1.676 -5.740 -6.944 1.00 0.00 C ATOM 0 H MET A 81 0.656 -2.687 -9.227 1.00 0.00 H new ATOM 0 HA MET A 81 0.618 -5.529 -8.713 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.465 -3.741 -10.941 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.633 -5.484 -10.986 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.543 -3.812 -8.595 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.605 -4.191 -9.937 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.265 -6.613 -6.437 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.944 -4.932 -6.928 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.584 -5.418 -6.433 1.00 0.00 H new ATOM 1244 N VAL A 82 2.385 -4.296 -11.242 1.00 0.00 N ATOM 1245 CA VAL A 82 3.463 -4.607 -12.195 1.00 0.00 C ATOM 1246 C VAL A 82 4.809 -4.844 -11.495 1.00 0.00 C ATOM 1247 O VAL A 82 5.625 -5.632 -11.975 1.00 0.00 O ATOM 1248 CB VAL A 82 3.624 -3.478 -13.226 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.350 -3.358 -14.069 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.878 -2.148 -12.510 1.00 0.00 C ATOM 0 H VAL A 82 2.058 -3.330 -11.274 1.00 0.00 H new ATOM 0 HA VAL A 82 3.173 -5.529 -12.699 1.00 0.00 H new ATOM 0 HB VAL A 82 4.470 -3.711 -13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.470 -2.556 -14.798 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.169 -4.298 -14.590 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.504 -3.134 -13.420 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.991 -1.353 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.036 -1.920 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.788 -2.223 -11.915 1.00 0.00 H new ATOM 1260 N ARG A 83 5.040 -4.165 -10.364 1.00 0.00 N ATOM 1261 CA ARG A 83 6.302 -4.326 -9.625 1.00 0.00 C ATOM 1262 C ARG A 83 6.486 -5.772 -9.137 1.00 0.00 C ATOM 1263 O ARG A 83 7.606 -6.199 -8.852 1.00 0.00 O ATOM 1264 CB ARG A 83 6.365 -3.371 -8.422 1.00 0.00 C ATOM 1265 CG ARG A 83 5.265 -3.714 -7.410 1.00 0.00 C ATOM 1266 CD ARG A 83 5.781 -3.473 -5.989 1.00 0.00 C ATOM 1267 NE ARG A 83 6.778 -4.481 -5.619 1.00 0.00 N ATOM 1268 CZ ARG A 83 6.433 -5.726 -5.259 1.00 0.00 C ATOM 1269 NH1 ARG A 83 5.173 -6.092 -5.224 1.00 0.00 N ATOM 1270 NH2 ARG A 83 7.367 -6.587 -4.941 1.00 0.00 N ATOM 0 H ARG A 83 4.382 -3.508 -9.944 1.00 0.00 H new ATOM 0 HA ARG A 83 7.109 -4.083 -10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.342 -3.441 -7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.249 -2.341 -8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.382 -3.102 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.962 -4.755 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.221 -2.478 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.949 -3.503 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 83 7.766 -4.228 -5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.441 -5.426 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.925 -7.042 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.348 -6.309 -4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.114 -7.536 -4.666 1.00 0.00 H new ATOM 1284 N CYS A 84 5.375 -6.518 -9.048 1.00 0.00 N ATOM 1285 CA CYS A 84 5.426 -7.912 -8.600 1.00 0.00 C ATOM 1286 C CYS A 84 6.164 -8.803 -9.612 1.00 0.00 C ATOM 1287 O CYS A 84 6.613 -9.897 -9.263 1.00 0.00 O ATOM 1288 CB CYS A 84 4.009 -8.460 -8.398 1.00 0.00 C ATOM 1289 SG CYS A 84 4.050 -9.815 -7.197 1.00 0.00 S ATOM 0 H CYS A 84 4.440 -6.181 -9.278 1.00 0.00 H new ATOM 0 HA CYS A 84 5.970 -7.928 -7.655 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.348 -7.668 -8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.606 -8.813 -9.347 1.00 0.00 H new ATOM 0 HG CYS A 84 2.848 -10.278 -7.024 1.00 0.00 H new