USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 58 GLN : amide:sc= -0.0395 X(o=-0.42,f=-0.41) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -177:sc= -0.384 (180deg=-0.406) USER MOD Single : A 3 SER OG : rot -26:sc= 0.376 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -3.25 K(o=-3.3,f=-8.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0.0759 (180deg=0.0258) USER MOD Single : A 24 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.11) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.38 K(o=-3.4,f=-2.7) USER MOD Single : A 30 THR OG1 : rot -41:sc= 1.05 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 49:sc= 0.219 USER MOD Single : A 64 ASN : amide:sc= -8.06! C(o=-8.1!,f=-13!) USER MOD Single : A 65 THR OG1 : rot -142:sc= -0.0148 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.33 K(o=-1.3,f=0.065) USER MOD Single : A 77 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 5.769 -4.223 -5.346 1.00 0.00 N ATOM 43 CA SER A 3 5.521 -2.793 -5.198 1.00 0.00 C ATOM 44 C SER A 3 4.893 -2.217 -6.463 1.00 0.00 C ATOM 45 O SER A 3 3.709 -1.880 -6.486 1.00 0.00 O ATOM 46 CB SER A 3 6.825 -2.058 -4.881 1.00 0.00 C ATOM 47 OG SER A 3 7.887 -2.531 -5.692 1.00 0.00 O ATOM 0 HA SER A 3 4.824 -2.653 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.691 -0.988 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.077 -2.195 -3.829 1.00 0.00 H new ATOM 0 HG SER A 3 7.700 -3.451 -5.972 1.00 0.00 H new ATOM 53 N THR A 4 5.697 -2.105 -7.517 1.00 0.00 N ATOM 54 CA THR A 4 5.222 -1.569 -8.786 1.00 0.00 C ATOM 55 C THR A 4 3.954 -2.280 -9.244 1.00 0.00 C ATOM 56 O THR A 4 3.102 -1.686 -9.905 1.00 0.00 O ATOM 57 CB THR A 4 6.294 -1.696 -9.885 1.00 0.00 C ATOM 58 OG1 THR A 4 5.872 -0.999 -11.063 1.00 0.00 O ATOM 59 CG2 THR A 4 6.555 -3.156 -10.220 1.00 0.00 C ATOM 0 H THR A 4 6.680 -2.379 -7.516 1.00 0.00 H new ATOM 0 HA THR A 4 5.003 -0.514 -8.621 1.00 0.00 H new ATOM 0 HB THR A 4 7.219 -1.254 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.559 -1.083 -11.757 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.315 -3.220 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.903 -3.677 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.634 -3.618 -10.574 1.00 0.00 H new ATOM 67 N PHE A 5 3.834 -3.554 -8.888 1.00 0.00 N ATOM 68 CA PHE A 5 2.669 -4.347 -9.263 1.00 0.00 C ATOM 69 C PHE A 5 1.378 -3.597 -8.950 1.00 0.00 C ATOM 70 O PHE A 5 0.393 -3.703 -9.681 1.00 0.00 O ATOM 71 CB PHE A 5 2.682 -5.690 -8.531 1.00 0.00 C ATOM 72 CG PHE A 5 1.518 -6.574 -8.878 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.998 -6.583 -10.162 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.945 -7.395 -7.921 1.00 0.00 C ATOM 75 CE1 PHE A 5 -0.074 -7.395 -10.484 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.126 -8.209 -8.237 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.635 -8.210 -9.521 1.00 0.00 C ATOM 0 H PHE A 5 4.530 -4.060 -8.340 1.00 0.00 H new ATOM 0 HA PHE A 5 2.713 -4.527 -10.337 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.608 -6.214 -8.766 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.682 -5.509 -7.456 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.435 -5.949 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.340 -7.399 -6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.472 -7.392 -11.488 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.564 -8.844 -7.481 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.470 -8.847 -9.771 1.00 0.00 H new ATOM 87 N ASP A 6 1.390 -2.839 -7.859 1.00 0.00 N ATOM 88 CA ASP A 6 0.221 -2.071 -7.448 1.00 0.00 C ATOM 89 C ASP A 6 -0.217 -1.115 -8.554 1.00 0.00 C ATOM 90 O ASP A 6 -1.212 -1.356 -9.238 1.00 0.00 O ATOM 91 CB ASP A 6 0.522 -1.287 -6.170 1.00 0.00 C ATOM 92 CG ASP A 6 0.146 -2.055 -4.918 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.994 -2.823 -4.415 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.995 -1.888 -4.440 1.00 0.00 O ATOM 0 H ASP A 6 2.197 -2.740 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.592 -2.770 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.584 -1.043 -6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.021 -0.342 -6.190 1.00 0.00 H new ATOM 99 N ASP A 7 0.531 -0.031 -8.723 1.00 0.00 N ATOM 100 CA ASP A 7 0.221 0.961 -9.745 1.00 0.00 C ATOM 101 C ASP A 7 -0.009 0.294 -11.098 1.00 0.00 C ATOM 102 O ASP A 7 -0.820 0.758 -11.900 1.00 0.00 O ATOM 103 CB ASP A 7 1.352 1.985 -9.853 1.00 0.00 C ATOM 104 CG ASP A 7 1.430 2.892 -8.641 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.520 3.729 -8.466 1.00 0.00 O ATOM 106 OD2 ASP A 7 2.400 2.763 -7.866 1.00 0.00 O ATOM 0 H ASP A 7 1.357 0.183 -8.165 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.695 1.473 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.301 1.462 -9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.206 2.591 -10.747 1.00 0.00 H new ATOM 111 N ILE A 8 0.710 -0.796 -11.344 1.00 0.00 N ATOM 112 CA ILE A 8 0.584 -1.526 -12.599 1.00 0.00 C ATOM 113 C ILE A 8 -0.785 -2.186 -12.716 1.00 0.00 C ATOM 114 O ILE A 8 -1.391 -2.199 -13.788 1.00 0.00 O ATOM 115 CB ILE A 8 1.675 -2.605 -12.735 1.00 0.00 C ATOM 116 CG1 ILE A 8 2.957 -1.996 -13.305 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.186 -3.745 -13.616 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.219 -2.649 -12.787 1.00 0.00 C ATOM 0 H ILE A 8 1.386 -1.193 -10.691 1.00 0.00 H new ATOM 0 HA ILE A 8 0.703 -0.797 -13.401 1.00 0.00 H new ATOM 0 HB ILE A 8 1.894 -3.005 -11.745 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.936 -2.077 -14.392 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.983 -0.933 -13.065 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.968 -4.499 -13.702 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.297 -4.193 -13.171 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.942 -3.361 -14.606 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.088 -2.166 -13.234 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.264 -2.545 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.216 -3.707 -13.051 1.00 0.00 H new ATOM 130 N LYS A 9 -1.269 -2.732 -11.606 1.00 0.00 N ATOM 131 CA LYS A 9 -2.569 -3.392 -11.581 1.00 0.00 C ATOM 132 C LYS A 9 -3.691 -2.393 -11.847 1.00 0.00 C ATOM 133 O LYS A 9 -4.764 -2.762 -12.326 1.00 0.00 O ATOM 134 CB LYS A 9 -2.791 -4.076 -10.230 1.00 0.00 C ATOM 135 CG LYS A 9 -3.582 -3.234 -9.244 1.00 0.00 C ATOM 136 CD LYS A 9 -3.299 -3.643 -7.808 1.00 0.00 C ATOM 137 CE LYS A 9 -4.564 -4.098 -7.098 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.267 -5.049 -5.991 1.00 0.00 N ATOM 0 H LYS A 9 -0.780 -2.731 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.582 -4.145 -12.369 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.314 -5.019 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.823 -4.319 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.331 -2.182 -9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.648 -3.337 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.564 -4.448 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.860 -2.803 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.089 -3.230 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.232 -4.573 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.155 -5.336 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.788 -5.889 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.650 -4.587 -5.293 1.00 0.00 H new ATOM 152 N LYS A 10 -3.437 -1.127 -11.535 1.00 0.00 N ATOM 153 CA LYS A 10 -4.424 -0.074 -11.743 1.00 0.00 C ATOM 154 C LYS A 10 -4.485 0.331 -13.212 1.00 0.00 C ATOM 155 O LYS A 10 -5.557 0.338 -13.819 1.00 0.00 O ATOM 156 CB LYS A 10 -4.089 1.145 -10.880 1.00 0.00 C ATOM 157 CG LYS A 10 -3.514 0.788 -9.520 1.00 0.00 C ATOM 158 CD LYS A 10 -3.557 1.971 -8.568 1.00 0.00 C ATOM 159 CE LYS A 10 -4.978 2.278 -8.124 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.039 2.659 -6.685 1.00 0.00 N ATOM 0 H LYS A 10 -2.555 -0.805 -11.137 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.400 -0.461 -11.450 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.375 1.772 -11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.992 1.739 -10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.075 -0.044 -9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.484 0.451 -9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.940 1.759 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.130 2.847 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.381 3.088 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.609 1.406 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.024 2.861 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.678 1.876 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.458 3.506 -6.525 1.00 0.00 H new ATOM 174 N ILE A 11 -3.331 0.668 -13.777 1.00 0.00 N ATOM 175 CA ILE A 11 -3.255 1.072 -15.176 1.00 0.00 C ATOM 176 C ILE A 11 -3.827 -0.005 -16.091 1.00 0.00 C ATOM 177 O ILE A 11 -4.521 0.296 -17.062 1.00 0.00 O ATOM 178 CB ILE A 11 -1.804 1.370 -15.597 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.894 0.192 -15.242 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.311 2.646 -14.932 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.562 0.431 -15.576 1.00 0.00 C ATOM 0 H ILE A 11 -2.436 0.669 -13.288 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.848 1.981 -15.275 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.777 1.513 -16.677 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.984 -0.018 -14.176 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.239 -0.696 -15.772 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.284 2.843 -15.239 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.946 3.480 -15.230 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.350 2.530 -13.849 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.148 -0.445 -15.297 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.665 0.611 -16.646 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.924 1.299 -15.025 1.00 0.00 H new ATOM 193 N ILE A 12 -3.532 -1.262 -15.773 1.00 0.00 N ATOM 194 CA ILE A 12 -4.020 -2.384 -16.566 1.00 0.00 C ATOM 195 C ILE A 12 -5.496 -2.649 -16.292 1.00 0.00 C ATOM 196 O ILE A 12 -6.225 -3.122 -17.164 1.00 0.00 O ATOM 197 CB ILE A 12 -3.217 -3.666 -16.278 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.520 -4.178 -14.868 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.728 -3.408 -16.446 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.792 -5.458 -14.521 1.00 0.00 C ATOM 0 H ILE A 12 -2.958 -1.528 -14.973 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.891 -2.112 -17.614 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.515 -4.432 -16.994 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.250 -3.408 -14.145 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.593 -4.343 -14.773 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.174 -4.324 -16.239 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.528 -3.086 -17.468 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.413 -2.629 -15.752 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.054 -5.762 -13.508 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.080 -6.242 -15.221 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.716 -5.293 -14.584 1.00 0.00 H new ATOM 212 N SER A 13 -5.932 -2.339 -15.075 1.00 0.00 N ATOM 213 CA SER A 13 -7.322 -2.546 -14.685 1.00 0.00 C ATOM 214 C SER A 13 -8.239 -1.556 -15.397 1.00 0.00 C ATOM 215 O SER A 13 -9.441 -1.788 -15.527 1.00 0.00 O ATOM 216 CB SER A 13 -7.476 -2.402 -13.170 1.00 0.00 C ATOM 217 OG SER A 13 -8.830 -2.184 -12.813 1.00 0.00 O ATOM 0 H SER A 13 -5.343 -1.944 -14.342 1.00 0.00 H new ATOM 0 HA SER A 13 -7.609 -3.556 -14.978 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.107 -3.301 -12.677 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.865 -1.571 -12.817 1.00 0.00 H new ATOM 0 HG SER A 13 -8.902 -2.097 -11.840 1.00 0.00 H new ATOM 223 N LYS A 14 -7.662 -0.451 -15.857 1.00 0.00 N ATOM 224 CA LYS A 14 -8.425 0.576 -16.558 1.00 0.00 C ATOM 225 C LYS A 14 -8.072 0.598 -18.042 1.00 0.00 C ATOM 226 O LYS A 14 -8.849 1.079 -18.866 1.00 0.00 O ATOM 227 CB LYS A 14 -8.158 1.950 -15.939 1.00 0.00 C ATOM 228 CG LYS A 14 -9.017 3.057 -16.523 1.00 0.00 C ATOM 229 CD LYS A 14 -8.212 3.962 -17.441 1.00 0.00 C ATOM 230 CE LYS A 14 -9.040 5.142 -17.927 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.183 6.284 -18.350 1.00 0.00 N ATOM 0 H LYS A 14 -6.668 -0.243 -15.757 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.484 0.339 -16.458 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.332 1.895 -14.864 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.107 2.204 -16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.847 2.620 -17.078 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.449 3.648 -15.715 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.331 4.327 -16.913 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.855 3.389 -18.297 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.665 4.828 -18.763 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.711 5.467 -17.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.785 7.068 -18.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.605 6.601 -17.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.560 5.982 -19.126 1.00 0.00 H new ATOM 245 N GLN A 15 -6.897 0.072 -18.374 1.00 0.00 N ATOM 246 CA GLN A 15 -6.444 0.032 -19.759 1.00 0.00 C ATOM 247 C GLN A 15 -6.728 -1.330 -20.385 1.00 0.00 C ATOM 248 O GLN A 15 -7.441 -1.428 -21.385 1.00 0.00 O ATOM 249 CB GLN A 15 -4.948 0.340 -19.837 1.00 0.00 C ATOM 250 CG GLN A 15 -4.466 0.664 -21.242 1.00 0.00 C ATOM 251 CD GLN A 15 -4.339 -0.569 -22.115 1.00 0.00 C ATOM 252 OE1 GLN A 15 -3.383 -1.336 -21.991 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.305 -0.768 -23.004 1.00 0.00 N ATOM 0 H GLN A 15 -6.243 -0.332 -17.704 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.994 0.790 -20.317 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.724 1.182 -19.182 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.389 -0.516 -19.458 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.160 1.364 -21.707 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.499 1.164 -21.184 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.079 -0.107 -23.073 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.273 -1.582 -23.618 1.00 0.00 H new ATOM 262 N LEU A 16 -6.167 -2.377 -19.792 1.00 0.00 N ATOM 263 CA LEU A 16 -6.360 -3.734 -20.291 1.00 0.00 C ATOM 264 C LEU A 16 -7.532 -4.411 -19.589 1.00 0.00 C ATOM 265 O LEU A 16 -7.657 -5.636 -19.608 1.00 0.00 O ATOM 266 CB LEU A 16 -5.086 -4.558 -20.092 1.00 0.00 C ATOM 267 CG LEU A 16 -4.060 -4.491 -21.223 1.00 0.00 C ATOM 268 CD1 LEU A 16 -2.654 -4.697 -20.680 1.00 0.00 C ATOM 269 CD2 LEU A 16 -4.377 -5.526 -22.293 1.00 0.00 C ATOM 0 H LEU A 16 -5.574 -2.313 -18.964 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.584 -3.674 -21.356 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.604 -4.228 -19.171 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.370 -5.600 -19.948 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.112 -3.501 -21.677 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.937 -4.646 -21.499 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.428 -3.919 -19.951 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.589 -5.674 -20.201 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.636 -5.464 -23.090 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.354 -6.523 -21.853 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.368 -5.333 -22.703 1.00 0.00 H new ATOM 281 N SER A 17 -8.391 -3.606 -18.972 1.00 0.00 N ATOM 282 CA SER A 17 -9.553 -4.127 -18.262 1.00 0.00 C ATOM 283 C SER A 17 -9.139 -4.784 -16.949 1.00 0.00 C ATOM 284 O SER A 17 -9.543 -4.351 -15.870 1.00 0.00 O ATOM 285 CB SER A 17 -10.301 -5.136 -19.137 1.00 0.00 C ATOM 286 OG SER A 17 -11.704 -4.971 -19.020 1.00 0.00 O ATOM 0 H SER A 17 -8.304 -2.590 -18.950 1.00 0.00 H new ATOM 0 HA SER A 17 -10.215 -3.291 -18.036 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.003 -5.011 -20.178 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.025 -6.150 -18.846 1.00 0.00 H new ATOM 0 HG SER A 17 -12.159 -5.626 -19.590 1.00 0.00 H new ATOM 292 N VAL A 18 -8.329 -5.834 -17.050 1.00 0.00 N ATOM 293 CA VAL A 18 -7.858 -6.552 -15.872 1.00 0.00 C ATOM 294 C VAL A 18 -6.946 -7.710 -16.262 1.00 0.00 C ATOM 295 O VAL A 18 -7.353 -8.613 -16.991 1.00 0.00 O ATOM 296 CB VAL A 18 -9.034 -7.096 -15.039 1.00 0.00 C ATOM 297 CG1 VAL A 18 -10.008 -7.858 -15.924 1.00 0.00 C ATOM 298 CG2 VAL A 18 -8.522 -7.980 -13.911 1.00 0.00 C ATOM 0 H VAL A 18 -7.986 -6.206 -17.936 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.296 -5.838 -15.270 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.565 -6.253 -14.598 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.832 -8.235 -15.318 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.398 -7.192 -16.693 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.493 -8.695 -16.396 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.365 -8.356 -13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.966 -8.819 -14.330 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.867 -7.399 -13.262 1.00 0.00 H new ATOM 308 N GLU A 19 -5.712 -7.675 -15.770 1.00 0.00 N ATOM 309 CA GLU A 19 -4.742 -8.722 -16.068 1.00 0.00 C ATOM 310 C GLU A 19 -3.643 -8.764 -15.010 1.00 0.00 C ATOM 311 O GLU A 19 -2.492 -9.078 -15.309 1.00 0.00 O ATOM 312 CB GLU A 19 -4.125 -8.499 -17.450 1.00 0.00 C ATOM 313 CG GLU A 19 -4.966 -9.052 -18.589 1.00 0.00 C ATOM 314 CD GLU A 19 -4.216 -9.084 -19.906 1.00 0.00 C ATOM 315 OE1 GLU A 19 -2.970 -9.151 -19.877 1.00 0.00 O ATOM 316 OE2 GLU A 19 -4.876 -9.041 -20.966 1.00 0.00 O ATOM 0 H GLU A 19 -5.360 -6.934 -15.164 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.266 -9.678 -16.061 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.977 -7.430 -17.604 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.140 -8.964 -17.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.294 -10.061 -18.337 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.864 -8.444 -18.701 1.00 0.00 H new ATOM 323 N GLU A 20 -4.009 -8.444 -13.772 1.00 0.00 N ATOM 324 CA GLU A 20 -3.054 -8.443 -12.670 1.00 0.00 C ATOM 325 C GLU A 20 -2.665 -9.868 -12.287 1.00 0.00 C ATOM 326 O GLU A 20 -1.622 -10.095 -11.674 1.00 0.00 O ATOM 327 CB GLU A 20 -3.643 -7.720 -11.457 1.00 0.00 C ATOM 328 CG GLU A 20 -4.932 -8.339 -10.945 1.00 0.00 C ATOM 329 CD GLU A 20 -5.639 -7.460 -9.931 1.00 0.00 C ATOM 330 OE1 GLU A 20 -5.065 -7.224 -8.848 1.00 0.00 O ATOM 331 OE2 GLU A 20 -6.767 -7.009 -10.222 1.00 0.00 O ATOM 0 H GLU A 20 -4.959 -8.183 -13.508 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.158 -7.916 -12.999 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.907 -7.718 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.830 -6.679 -11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.600 -8.526 -11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.712 -9.305 -10.491 1.00 0.00 H new ATOM 338 N ASP A 21 -3.512 -10.825 -12.652 1.00 0.00 N ATOM 339 CA ASP A 21 -3.257 -12.228 -12.347 1.00 0.00 C ATOM 340 C ASP A 21 -2.422 -12.880 -13.445 1.00 0.00 C ATOM 341 O ASP A 21 -2.743 -13.969 -13.921 1.00 0.00 O ATOM 342 CB ASP A 21 -4.577 -12.983 -12.177 1.00 0.00 C ATOM 343 CG ASP A 21 -5.166 -12.814 -10.791 1.00 0.00 C ATOM 344 OD1 ASP A 21 -4.790 -13.590 -9.888 1.00 0.00 O ATOM 345 OD2 ASP A 21 -6.004 -11.906 -10.608 1.00 0.00 O ATOM 0 H ASP A 21 -4.380 -10.655 -13.159 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.697 -12.275 -11.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.293 -12.629 -12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.414 -14.043 -12.373 1.00 0.00 H new ATOM 350 N LYS A 22 -1.349 -12.205 -13.844 1.00 0.00 N ATOM 351 CA LYS A 22 -0.467 -12.717 -14.885 1.00 0.00 C ATOM 352 C LYS A 22 0.608 -11.694 -15.240 1.00 0.00 C ATOM 353 O LYS A 22 1.713 -12.056 -15.645 1.00 0.00 O ATOM 354 CB LYS A 22 -1.274 -13.079 -16.134 1.00 0.00 C ATOM 355 CG LYS A 22 -2.433 -12.136 -16.403 1.00 0.00 C ATOM 356 CD LYS A 22 -2.362 -11.548 -17.803 1.00 0.00 C ATOM 357 CE LYS A 22 -2.384 -12.636 -18.865 1.00 0.00 C ATOM 358 NZ LYS A 22 -3.198 -12.240 -20.048 1.00 0.00 N ATOM 0 H LYS A 22 -1.070 -11.302 -13.462 1.00 0.00 H new ATOM 0 HA LYS A 22 0.022 -13.613 -14.503 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.609 -13.080 -16.998 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.659 -14.093 -16.026 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.375 -12.671 -16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.426 -11.331 -15.669 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.202 -10.870 -17.957 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.452 -10.957 -17.905 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.364 -12.854 -19.182 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.788 -13.553 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.106 -12.963 -20.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.196 -12.155 -19.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.861 -11.326 -20.411 1.00 0.00 H new ATOM 372 N ILE A 23 0.276 -10.417 -15.083 1.00 0.00 N ATOM 373 CA ILE A 23 1.214 -9.342 -15.385 1.00 0.00 C ATOM 374 C ILE A 23 2.502 -9.496 -14.584 1.00 0.00 C ATOM 375 O ILE A 23 3.549 -8.977 -14.969 1.00 0.00 O ATOM 376 CB ILE A 23 0.601 -7.961 -15.090 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.891 -6.994 -16.239 1.00 0.00 C ATOM 378 CG2 ILE A 23 1.141 -7.411 -13.778 1.00 0.00 C ATOM 379 CD1 ILE A 23 2.350 -6.949 -16.637 1.00 0.00 C ATOM 0 H ILE A 23 -0.635 -10.101 -14.749 1.00 0.00 H new ATOM 0 HA ILE A 23 1.440 -9.410 -16.449 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.479 -8.072 -14.998 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.295 -7.282 -17.105 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.570 -5.993 -15.950 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.698 -6.434 -13.583 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.888 -8.093 -12.966 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.224 -7.312 -13.844 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.482 -6.243 -17.457 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.950 -6.631 -15.784 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.671 -7.940 -16.957 1.00 0.00 H new ATOM 391 N GLN A 24 2.417 -10.214 -13.469 1.00 0.00 N ATOM 392 CA GLN A 24 3.577 -10.437 -12.614 1.00 0.00 C ATOM 393 C GLN A 24 4.298 -11.725 -13.000 1.00 0.00 C ATOM 394 O GLN A 24 4.760 -12.471 -12.137 1.00 0.00 O ATOM 395 CB GLN A 24 3.151 -10.498 -11.146 1.00 0.00 C ATOM 396 CG GLN A 24 2.424 -11.781 -10.776 1.00 0.00 C ATOM 397 CD GLN A 24 0.942 -11.566 -10.544 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.543 -10.857 -9.619 1.00 0.00 O ATOM 399 NE2 GLN A 24 0.116 -12.178 -11.384 1.00 0.00 N ATOM 0 H GLN A 24 1.557 -10.651 -13.137 1.00 0.00 H new ATOM 0 HA GLN A 24 4.264 -9.602 -12.751 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.034 -10.396 -10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.504 -9.648 -10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.561 -12.514 -11.571 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.872 -12.201 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.490 -12.756 -12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.893 -12.070 -11.277 1.00 0.00 H new ATOM 408 N MET A 25 4.390 -11.978 -14.301 1.00 0.00 N ATOM 409 CA MET A 25 5.056 -13.175 -14.801 1.00 0.00 C ATOM 410 C MET A 25 6.557 -13.111 -14.540 1.00 0.00 C ATOM 411 O MET A 25 7.270 -14.099 -14.717 1.00 0.00 O ATOM 412 CB MET A 25 4.793 -13.344 -16.299 1.00 0.00 C ATOM 413 CG MET A 25 3.916 -14.540 -16.631 1.00 0.00 C ATOM 414 SD MET A 25 4.828 -16.096 -16.610 1.00 0.00 S ATOM 415 CE MET A 25 3.617 -17.188 -15.869 1.00 0.00 C ATOM 0 H MET A 25 4.012 -11.371 -15.028 1.00 0.00 H new ATOM 0 HA MET A 25 4.649 -14.035 -14.269 1.00 0.00 H new ATOM 0 HB2 MET A 25 4.319 -12.440 -16.681 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.746 -13.448 -16.817 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.096 -14.594 -15.915 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.471 -14.397 -17.616 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.034 -18.192 -15.788 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.357 -16.822 -14.876 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.723 -17.215 -16.492 1.00 0.00 H new ATOM 425 N ASN A 26 7.031 -11.943 -14.120 1.00 0.00 N ATOM 426 CA ASN A 26 8.448 -11.751 -13.836 1.00 0.00 C ATOM 427 C ASN A 26 9.284 -11.917 -15.101 1.00 0.00 C ATOM 428 O ASN A 26 10.477 -12.213 -15.035 1.00 0.00 O ATOM 429 CB ASN A 26 8.915 -12.743 -12.769 1.00 0.00 C ATOM 430 CG ASN A 26 7.946 -12.840 -11.606 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.216 -13.822 -11.473 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.936 -11.819 -10.758 1.00 0.00 N ATOM 0 H ASN A 26 6.455 -11.115 -13.969 1.00 0.00 H new ATOM 0 HA ASN A 26 8.583 -10.736 -13.463 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.036 -13.728 -13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.894 -12.440 -12.398 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.305 -11.828 -9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.559 -11.025 -10.908 1.00 0.00 H new ATOM 439 N SER A 27 8.649 -11.724 -16.253 1.00 0.00 N ATOM 440 CA SER A 27 9.333 -11.856 -17.534 1.00 0.00 C ATOM 441 C SER A 27 9.323 -10.533 -18.293 1.00 0.00 C ATOM 442 O SER A 27 10.327 -9.822 -18.337 1.00 0.00 O ATOM 443 CB SER A 27 8.671 -12.947 -18.379 1.00 0.00 C ATOM 444 OG SER A 27 9.142 -14.232 -18.012 1.00 0.00 O ATOM 0 H SER A 27 7.662 -11.476 -16.325 1.00 0.00 H new ATOM 0 HA SER A 27 10.368 -12.135 -17.339 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.589 -12.903 -18.253 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.876 -12.769 -19.435 1.00 0.00 H new ATOM 0 HG SER A 27 8.703 -14.912 -18.565 1.00 0.00 H new ATOM 450 N ASN A 28 8.181 -10.209 -18.891 1.00 0.00 N ATOM 451 CA ASN A 28 8.040 -8.971 -19.650 1.00 0.00 C ATOM 452 C ASN A 28 6.599 -8.472 -19.612 1.00 0.00 C ATOM 453 O ASN A 28 5.722 -9.115 -19.034 1.00 0.00 O ATOM 454 CB ASN A 28 8.479 -9.185 -21.100 1.00 0.00 C ATOM 455 CG ASN A 28 9.680 -10.105 -21.211 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.825 -9.662 -21.122 1.00 0.00 O ATOM 457 ND2 ASN A 28 9.422 -11.393 -21.405 1.00 0.00 N ATOM 0 H ASN A 28 7.340 -10.786 -18.865 1.00 0.00 H new ATOM 0 HA ASN A 28 8.680 -8.217 -19.191 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.650 -9.604 -21.670 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.720 -8.222 -21.550 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.189 -12.060 -21.486 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.457 -11.715 -21.473 1.00 0.00 H new ATOM 464 N PHE A 29 6.360 -7.321 -20.233 1.00 0.00 N ATOM 465 CA PHE A 29 5.026 -6.735 -20.271 1.00 0.00 C ATOM 466 C PHE A 29 4.380 -6.940 -21.638 1.00 0.00 C ATOM 467 O PHE A 29 3.178 -7.189 -21.738 1.00 0.00 O ATOM 468 CB PHE A 29 5.093 -5.241 -19.945 1.00 0.00 C ATOM 469 CG PHE A 29 4.695 -4.917 -18.533 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.360 -5.492 -17.462 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.655 -4.037 -18.278 1.00 0.00 C ATOM 472 CE1 PHE A 29 4.996 -5.196 -16.162 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.287 -3.737 -16.980 1.00 0.00 C ATOM 474 CZ PHE A 29 3.958 -4.318 -15.921 1.00 0.00 C ATOM 0 H PHE A 29 7.074 -6.776 -20.717 1.00 0.00 H new ATOM 0 HA PHE A 29 4.415 -7.237 -19.521 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.108 -4.885 -20.119 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.443 -4.698 -20.631 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.172 -6.180 -17.645 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.127 -3.581 -19.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.523 -5.651 -15.336 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.476 -3.049 -16.794 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.671 -4.086 -14.906 1.00 0.00 H new ATOM 484 N THR A 30 5.186 -6.833 -22.689 1.00 0.00 N ATOM 485 CA THR A 30 4.694 -7.005 -24.050 1.00 0.00 C ATOM 486 C THR A 30 5.410 -8.153 -24.753 1.00 0.00 C ATOM 487 O THR A 30 5.221 -8.377 -25.949 1.00 0.00 O ATOM 488 CB THR A 30 4.874 -5.719 -24.879 1.00 0.00 C ATOM 489 OG1 THR A 30 4.403 -5.928 -26.215 1.00 0.00 O ATOM 490 CG2 THR A 30 6.334 -5.295 -24.910 1.00 0.00 C ATOM 0 H THR A 30 6.183 -6.628 -22.624 1.00 0.00 H new ATOM 0 HA THR A 30 3.631 -7.235 -23.975 1.00 0.00 H new ATOM 0 HB THR A 30 4.293 -4.926 -24.410 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.682 -6.815 -26.525 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.436 -4.385 -25.501 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.680 -5.108 -23.893 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.934 -6.088 -25.358 1.00 0.00 H new ATOM 498 N LYS A 31 6.231 -8.879 -24.003 1.00 0.00 N ATOM 499 CA LYS A 31 6.975 -10.006 -24.552 1.00 0.00 C ATOM 500 C LYS A 31 6.577 -11.308 -23.864 1.00 0.00 C ATOM 501 O LYS A 31 6.747 -12.393 -24.421 1.00 0.00 O ATOM 502 CB LYS A 31 8.480 -9.775 -24.399 1.00 0.00 C ATOM 503 CG LYS A 31 8.861 -8.309 -24.288 1.00 0.00 C ATOM 504 CD LYS A 31 10.364 -8.133 -24.143 1.00 0.00 C ATOM 505 CE LYS A 31 10.910 -7.146 -25.163 1.00 0.00 C ATOM 506 NZ LYS A 31 10.939 -7.724 -26.534 1.00 0.00 N ATOM 0 H LYS A 31 6.398 -8.707 -23.012 1.00 0.00 H new ATOM 0 HA LYS A 31 6.733 -10.087 -25.612 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.832 -10.302 -23.512 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.995 -10.212 -25.254 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.515 -7.774 -25.172 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.357 -7.865 -23.429 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.595 -7.783 -23.137 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.858 -9.097 -24.267 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.296 -6.245 -25.162 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.917 -6.845 -24.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.317 -7.020 -27.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.545 -8.569 -26.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.974 -7.987 -26.820 1.00 0.00 H new ATOM 520 N ASP A 32 6.047 -11.192 -22.651 1.00 0.00 N ATOM 521 CA ASP A 32 5.623 -12.360 -21.888 1.00 0.00 C ATOM 522 C ASP A 32 4.145 -12.656 -22.123 1.00 0.00 C ATOM 523 O ASP A 32 3.796 -13.596 -22.839 1.00 0.00 O ATOM 524 CB ASP A 32 5.881 -12.142 -20.396 1.00 0.00 C ATOM 525 CG ASP A 32 5.071 -13.081 -19.525 1.00 0.00 C ATOM 526 OD1 ASP A 32 5.484 -14.249 -19.367 1.00 0.00 O ATOM 527 OD2 ASP A 32 4.022 -12.649 -19.001 1.00 0.00 O ATOM 0 H ASP A 32 5.901 -10.302 -22.175 1.00 0.00 H new ATOM 0 HA ASP A 32 6.205 -13.216 -22.229 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.942 -12.284 -20.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.640 -11.111 -20.136 1.00 0.00 H new ATOM 532 N LEU A 33 3.282 -11.849 -21.516 1.00 0.00 N ATOM 533 CA LEU A 33 1.841 -12.025 -21.659 1.00 0.00 C ATOM 534 C LEU A 33 1.421 -11.920 -23.121 1.00 0.00 C ATOM 535 O LEU A 33 0.350 -12.386 -23.506 1.00 0.00 O ATOM 536 CB LEU A 33 1.095 -10.981 -20.826 1.00 0.00 C ATOM 537 CG LEU A 33 1.673 -9.565 -20.851 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.568 -8.541 -21.054 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.438 -9.279 -19.566 1.00 0.00 C ATOM 0 H LEU A 33 3.555 -11.067 -20.921 1.00 0.00 H new ATOM 0 HA LEU A 33 1.584 -13.021 -21.298 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.063 -10.937 -21.174 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.068 -11.323 -19.791 1.00 0.00 H new ATOM 0 HG LEU A 33 2.367 -9.491 -21.688 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.998 -7.540 -21.069 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.063 -8.733 -22.001 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.151 -8.615 -20.238 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.842 -8.267 -19.601 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.765 -9.372 -18.714 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.255 -9.993 -19.462 1.00 0.00 H new ATOM 551 N GLY A 34 2.275 -11.305 -23.934 1.00 0.00 N ATOM 552 CA GLY A 34 1.977 -11.151 -25.346 1.00 0.00 C ATOM 553 C GLY A 34 0.653 -10.452 -25.586 1.00 0.00 C ATOM 554 O GLY A 34 -0.107 -10.836 -26.474 1.00 0.00 O ATOM 0 H GLY A 34 3.168 -10.911 -23.640 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.776 -10.583 -25.823 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.957 -12.133 -25.819 1.00 0.00 H new ATOM 558 N ALA A 35 0.377 -9.423 -24.791 1.00 0.00 N ATOM 559 CA ALA A 35 -0.863 -8.669 -24.922 1.00 0.00 C ATOM 560 C ALA A 35 -0.865 -7.831 -26.196 1.00 0.00 C ATOM 561 O ALA A 35 -1.505 -8.188 -27.184 1.00 0.00 O ATOM 562 CB ALA A 35 -1.072 -7.781 -23.704 1.00 0.00 C ATOM 0 H ALA A 35 0.995 -9.093 -24.050 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.686 -9.381 -24.985 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.002 -7.224 -23.815 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.125 -8.399 -22.808 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.239 -7.083 -23.615 1.00 0.00 H new ATOM 568 N ASP A 36 -0.144 -6.715 -26.165 1.00 0.00 N ATOM 569 CA ASP A 36 -0.062 -5.826 -27.317 1.00 0.00 C ATOM 570 C ASP A 36 0.810 -4.613 -27.007 1.00 0.00 C ATOM 571 O ASP A 36 0.563 -3.839 -26.085 1.00 0.00 O ATOM 572 CB ASP A 36 -1.460 -5.369 -27.737 1.00 0.00 C ATOM 573 CG ASP A 36 -1.799 -5.775 -29.159 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.128 -6.960 -29.376 1.00 0.00 O ATOM 575 OD2 ASP A 36 -1.735 -4.906 -30.054 1.00 0.00 O ATOM 0 H ASP A 36 0.392 -6.405 -25.354 1.00 0.00 H new ATOM 0 HA ASP A 36 0.394 -6.379 -28.139 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.198 -5.793 -27.056 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.527 -4.285 -27.646 1.00 0.00 H new ATOM 580 N SER A 37 1.878 -4.431 -27.803 1.00 0.00 N ATOM 581 CA SER A 37 2.872 -3.339 -27.696 1.00 0.00 C ATOM 582 C SER A 37 2.229 -1.982 -27.365 1.00 0.00 C ATOM 583 O SER A 37 2.670 -1.256 -26.473 1.00 0.00 O ATOM 584 CB SER A 37 3.639 -3.297 -29.027 1.00 0.00 C ATOM 585 OG SER A 37 2.783 -2.908 -30.102 1.00 0.00 O ATOM 0 H SER A 37 2.085 -5.067 -28.573 1.00 0.00 H new ATOM 0 HA SER A 37 3.550 -3.537 -26.866 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.471 -2.597 -28.949 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.066 -4.278 -29.235 1.00 0.00 H new ATOM 0 HG SER A 37 3.295 -2.887 -30.937 1.00 0.00 H new ATOM 590 N LEU A 38 1.176 -1.656 -28.107 1.00 0.00 N ATOM 591 CA LEU A 38 0.461 -0.400 -27.912 1.00 0.00 C ATOM 592 C LEU A 38 -0.267 -0.390 -26.572 1.00 0.00 C ATOM 593 O LEU A 38 -0.269 0.616 -25.862 1.00 0.00 O ATOM 594 CB LEU A 38 -0.537 -0.176 -29.050 1.00 0.00 C ATOM 595 CG LEU A 38 -0.060 -0.570 -30.448 1.00 0.00 C ATOM 596 CD1 LEU A 38 -0.567 -1.956 -30.814 1.00 0.00 C ATOM 597 CD2 LEU A 38 -0.516 0.455 -31.476 1.00 0.00 C ATOM 0 H LEU A 38 0.799 -2.245 -28.850 1.00 0.00 H new ATOM 0 HA LEU A 38 1.191 0.409 -27.913 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.445 -0.737 -28.826 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.810 0.879 -29.065 1.00 0.00 H new ATOM 0 HG LEU A 38 1.030 -0.593 -30.446 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.218 -2.219 -31.812 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.191 -2.683 -30.094 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.657 -1.961 -30.798 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.167 0.158 -32.465 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.605 0.510 -31.476 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.103 1.432 -31.224 1.00 0.00 H new ATOM 609 N ASP A 39 -0.884 -1.516 -26.232 1.00 0.00 N ATOM 610 CA ASP A 39 -1.614 -1.639 -24.975 1.00 0.00 C ATOM 611 C ASP A 39 -0.685 -1.423 -23.784 1.00 0.00 C ATOM 612 O ASP A 39 -1.004 -0.670 -22.863 1.00 0.00 O ATOM 613 CB ASP A 39 -2.277 -3.013 -24.878 1.00 0.00 C ATOM 614 CG ASP A 39 -3.579 -3.084 -25.652 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.194 -2.021 -25.875 1.00 0.00 O ATOM 616 OD2 ASP A 39 -3.983 -4.202 -26.033 1.00 0.00 O ATOM 0 H ASP A 39 -0.893 -2.357 -26.809 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.386 -0.870 -24.955 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.591 -3.771 -25.256 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.467 -3.248 -23.831 1.00 0.00 H new ATOM 621 N LEU A 40 0.464 -2.089 -23.809 1.00 0.00 N ATOM 622 CA LEU A 40 1.440 -1.972 -22.731 1.00 0.00 C ATOM 623 C LEU A 40 1.926 -0.533 -22.591 1.00 0.00 C ATOM 624 O LEU A 40 2.138 -0.043 -21.482 1.00 0.00 O ATOM 625 CB LEU A 40 2.627 -2.901 -22.987 1.00 0.00 C ATOM 626 CG LEU A 40 2.419 -4.372 -22.624 1.00 0.00 C ATOM 627 CD1 LEU A 40 1.906 -4.502 -21.198 1.00 0.00 C ATOM 628 CD2 LEU A 40 1.457 -5.032 -23.601 1.00 0.00 C ATOM 0 H LEU A 40 0.743 -2.716 -24.564 1.00 0.00 H new ATOM 0 HA LEU A 40 0.953 -2.264 -21.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.888 -2.842 -24.044 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.483 -2.527 -22.426 1.00 0.00 H new ATOM 0 HG LEU A 40 3.380 -4.882 -22.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.764 -5.555 -20.957 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.631 -4.067 -20.510 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.956 -3.977 -21.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.321 -6.078 -23.327 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.495 -4.520 -23.567 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.865 -4.971 -24.610 1.00 0.00 H new ATOM 640 N VAL A 41 2.101 0.140 -23.724 1.00 0.00 N ATOM 641 CA VAL A 41 2.560 1.524 -23.729 1.00 0.00 C ATOM 642 C VAL A 41 1.490 2.459 -23.176 1.00 0.00 C ATOM 643 O VAL A 41 1.798 3.531 -22.657 1.00 0.00 O ATOM 644 CB VAL A 41 2.943 1.983 -25.148 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.319 3.457 -25.149 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.082 1.134 -25.693 1.00 0.00 C ATOM 0 H VAL A 41 1.932 -0.251 -24.651 1.00 0.00 H new ATOM 0 HA VAL A 41 3.442 1.568 -23.091 1.00 0.00 H new ATOM 0 HB VAL A 41 2.079 1.852 -25.799 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.587 3.764 -26.160 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.472 4.049 -24.803 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.168 3.616 -24.485 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.340 1.472 -26.697 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.951 1.231 -25.043 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.772 0.090 -25.730 1.00 0.00 H new ATOM 656 N GLU A 42 0.232 2.044 -23.290 1.00 0.00 N ATOM 657 CA GLU A 42 -0.883 2.846 -22.801 1.00 0.00 C ATOM 658 C GLU A 42 -0.930 2.840 -21.276 1.00 0.00 C ATOM 659 O GLU A 42 -0.776 3.880 -20.635 1.00 0.00 O ATOM 660 CB GLU A 42 -2.204 2.320 -23.365 1.00 0.00 C ATOM 661 CG GLU A 42 -2.470 2.752 -24.798 1.00 0.00 C ATOM 662 CD GLU A 42 -3.014 4.164 -24.889 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.825 4.545 -24.018 1.00 0.00 O ATOM 664 OE2 GLU A 42 -2.631 4.889 -25.831 1.00 0.00 O ATOM 0 H GLU A 42 -0.040 1.158 -23.716 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.735 3.872 -23.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.202 1.231 -23.317 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.022 2.665 -22.733 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.545 2.685 -25.371 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.180 2.063 -25.256 1.00 0.00 H new ATOM 671 N LEU A 43 -1.144 1.662 -20.702 1.00 0.00 N ATOM 672 CA LEU A 43 -1.212 1.519 -19.251 1.00 0.00 C ATOM 673 C LEU A 43 0.002 2.156 -18.584 1.00 0.00 C ATOM 674 O LEU A 43 -0.121 2.822 -17.555 1.00 0.00 O ATOM 675 CB LEU A 43 -1.302 0.040 -18.869 1.00 0.00 C ATOM 676 CG LEU A 43 -0.198 -0.864 -19.419 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.844 -1.147 -18.348 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.788 -2.162 -19.949 1.00 0.00 C ATOM 0 H LEU A 43 -1.273 0.792 -21.218 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.107 2.033 -18.901 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.297 -0.035 -17.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.263 -0.345 -19.210 1.00 0.00 H new ATOM 0 HG LEU A 43 0.292 -0.347 -20.244 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.621 -1.792 -18.758 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.288 -0.209 -18.016 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.370 -1.644 -17.501 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.011 -2.793 -20.337 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.304 -2.683 -19.142 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.495 -1.941 -20.748 1.00 0.00 H new ATOM 690 N ILE A 44 1.173 1.949 -19.177 1.00 0.00 N ATOM 691 CA ILE A 44 2.409 2.506 -18.641 1.00 0.00 C ATOM 692 C ILE A 44 2.366 4.030 -18.631 1.00 0.00 C ATOM 693 O ILE A 44 2.728 4.665 -17.640 1.00 0.00 O ATOM 694 CB ILE A 44 3.633 2.044 -19.453 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.869 0.545 -19.253 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.867 2.838 -19.050 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.821 -0.057 -20.262 1.00 0.00 C ATOM 0 H ILE A 44 1.292 1.400 -20.028 1.00 0.00 H new ATOM 0 HA ILE A 44 2.502 2.141 -17.618 1.00 0.00 H new ATOM 0 HB ILE A 44 3.438 2.224 -20.510 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.262 0.378 -18.250 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.913 0.024 -19.312 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.724 2.500 -19.633 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.695 3.898 -19.239 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.067 2.686 -17.989 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.941 -1.121 -20.059 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.420 0.078 -21.266 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.790 0.438 -20.189 1.00 0.00 H new ATOM 709 N MET A 45 1.919 4.611 -19.740 1.00 0.00 N ATOM 710 CA MET A 45 1.826 6.062 -19.857 1.00 0.00 C ATOM 711 C MET A 45 1.015 6.649 -18.707 1.00 0.00 C ATOM 712 O MET A 45 1.275 7.765 -18.258 1.00 0.00 O ATOM 713 CB MET A 45 1.190 6.447 -21.194 1.00 0.00 C ATOM 714 CG MET A 45 -0.265 6.871 -21.075 1.00 0.00 C ATOM 715 SD MET A 45 -1.071 7.046 -22.678 1.00 0.00 S ATOM 716 CE MET A 45 -1.150 8.830 -22.825 1.00 0.00 C ATOM 0 H MET A 45 1.616 4.100 -20.569 1.00 0.00 H new ATOM 0 HA MET A 45 2.835 6.471 -19.812 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.762 7.262 -21.638 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.258 5.600 -21.877 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.806 6.136 -20.479 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.321 7.819 -20.539 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.625 9.097 -23.769 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.732 9.238 -21.998 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.141 9.242 -22.797 1.00 0.00 H new ATOM 726 N ALA A 46 0.031 5.891 -18.235 1.00 0.00 N ATOM 727 CA ALA A 46 -0.817 6.336 -17.136 1.00 0.00 C ATOM 728 C ALA A 46 -0.088 6.228 -15.801 1.00 0.00 C ATOM 729 O ALA A 46 -0.228 7.091 -14.933 1.00 0.00 O ATOM 730 CB ALA A 46 -2.106 5.528 -17.102 1.00 0.00 C ATOM 0 H ALA A 46 -0.199 4.965 -18.597 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.063 7.385 -17.302 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.729 5.872 -16.276 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.643 5.660 -18.041 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.870 4.473 -16.964 1.00 0.00 H new ATOM 736 N LEU A 47 0.690 5.163 -15.642 1.00 0.00 N ATOM 737 CA LEU A 47 1.442 4.941 -14.412 1.00 0.00 C ATOM 738 C LEU A 47 2.377 6.112 -14.126 1.00 0.00 C ATOM 739 O LEU A 47 2.398 6.644 -13.017 1.00 0.00 O ATOM 740 CB LEU A 47 2.247 3.644 -14.509 1.00 0.00 C ATOM 741 CG LEU A 47 2.467 2.890 -13.197 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.413 1.719 -13.407 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.006 3.829 -12.127 1.00 0.00 C ATOM 0 H LEU A 47 0.817 4.439 -16.350 1.00 0.00 H new ATOM 0 HA LEU A 47 0.730 4.859 -13.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.741 2.977 -15.207 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.221 3.876 -14.939 1.00 0.00 H new ATOM 0 HG LEU A 47 1.507 2.499 -12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.558 1.194 -12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.987 1.035 -14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.373 2.087 -13.768 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.157 3.276 -11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.956 4.250 -12.457 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.292 4.635 -11.957 1.00 0.00 H new ATOM 755 N GLU A 48 3.146 6.509 -15.135 1.00 0.00 N ATOM 756 CA GLU A 48 4.081 7.619 -14.992 1.00 0.00 C ATOM 757 C GLU A 48 3.339 8.950 -14.923 1.00 0.00 C ATOM 758 O GLU A 48 3.710 9.840 -14.158 1.00 0.00 O ATOM 759 CB GLU A 48 5.071 7.634 -16.158 1.00 0.00 C ATOM 760 CG GLU A 48 4.406 7.564 -17.522 1.00 0.00 C ATOM 761 CD GLU A 48 4.578 8.841 -18.321 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.456 9.934 -17.729 1.00 0.00 O ATOM 763 OE2 GLU A 48 4.834 8.748 -19.540 1.00 0.00 O ATOM 0 H GLU A 48 3.140 6.079 -16.060 1.00 0.00 H new ATOM 0 HA GLU A 48 4.630 7.480 -14.061 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.671 8.542 -16.102 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.756 6.792 -16.053 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.825 6.729 -18.084 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.343 7.360 -17.394 1.00 0.00 H new ATOM 770 N GLU A 49 2.288 9.078 -15.727 1.00 0.00 N ATOM 771 CA GLU A 49 1.495 10.302 -15.758 1.00 0.00 C ATOM 772 C GLU A 49 1.002 10.666 -14.361 1.00 0.00 C ATOM 773 O GLU A 49 0.892 11.843 -14.016 1.00 0.00 O ATOM 774 CB GLU A 49 0.304 10.139 -16.705 1.00 0.00 C ATOM 775 CG GLU A 49 -0.572 11.378 -16.799 1.00 0.00 C ATOM 776 CD GLU A 49 -1.979 11.138 -16.289 1.00 0.00 C ATOM 777 OE1 GLU A 49 -2.139 10.341 -15.340 1.00 0.00 O ATOM 778 OE2 GLU A 49 -2.921 11.747 -16.838 1.00 0.00 O ATOM 0 H GLU A 49 1.966 8.350 -16.365 1.00 0.00 H new ATOM 0 HA GLU A 49 2.132 11.109 -16.121 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.673 9.889 -17.700 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.304 9.299 -16.370 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.115 12.186 -16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.617 11.708 -17.837 1.00 0.00 H new ATOM 785 N LYS A 50 0.707 9.648 -13.560 1.00 0.00 N ATOM 786 CA LYS A 50 0.226 9.859 -12.199 1.00 0.00 C ATOM 787 C LYS A 50 1.390 9.930 -11.216 1.00 0.00 C ATOM 788 O LYS A 50 1.292 10.566 -10.167 1.00 0.00 O ATOM 789 CB LYS A 50 -0.729 8.734 -11.794 1.00 0.00 C ATOM 790 CG LYS A 50 -0.057 7.377 -11.677 1.00 0.00 C ATOM 791 CD LYS A 50 -0.943 6.377 -10.953 1.00 0.00 C ATOM 792 CE LYS A 50 -2.203 6.071 -11.748 1.00 0.00 C ATOM 793 NZ LYS A 50 -2.809 4.770 -11.349 1.00 0.00 N ATOM 0 H LYS A 50 0.792 8.668 -13.830 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.308 10.809 -12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.189 8.986 -10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.533 8.670 -12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.181 7.001 -12.672 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.887 7.482 -11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.387 5.455 -10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.216 6.773 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.929 6.870 -11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.965 6.050 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.665 4.598 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.126 4.004 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.060 4.799 -10.340 1.00 0.00 H new ATOM 807 N PHE A 51 2.493 9.274 -11.563 1.00 0.00 N ATOM 808 CA PHE A 51 3.677 9.264 -10.711 1.00 0.00 C ATOM 809 C PHE A 51 4.443 10.578 -10.829 1.00 0.00 C ATOM 810 O PHE A 51 5.236 10.926 -9.955 1.00 0.00 O ATOM 811 CB PHE A 51 4.589 8.093 -11.084 1.00 0.00 C ATOM 812 CG PHE A 51 4.520 6.948 -10.114 1.00 0.00 C ATOM 813 CD1 PHE A 51 3.307 6.553 -9.572 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.668 6.265 -9.746 1.00 0.00 C ATOM 815 CE1 PHE A 51 3.241 5.500 -8.680 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.608 5.211 -8.854 1.00 0.00 C ATOM 817 CZ PHE A 51 4.393 4.827 -8.321 1.00 0.00 C ATOM 0 H PHE A 51 2.591 8.743 -12.428 1.00 0.00 H new ATOM 0 HA PHE A 51 3.350 9.146 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.319 7.734 -12.077 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.618 8.448 -11.142 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.403 7.074 -9.850 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.621 6.560 -10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.290 5.203 -8.264 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.510 4.688 -8.574 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.344 4.003 -7.625 1.00 0.00 H new ATOM 827 N ASN A 52 4.200 11.302 -11.916 1.00 0.00 N ATOM 828 CA ASN A 52 4.868 12.578 -12.150 1.00 0.00 C ATOM 829 C ASN A 52 6.366 12.378 -12.354 1.00 0.00 C ATOM 830 O ASN A 52 7.183 12.906 -11.598 1.00 0.00 O ATOM 831 CB ASN A 52 4.624 13.528 -10.976 1.00 0.00 C ATOM 832 CG ASN A 52 4.990 14.962 -11.306 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.718 15.223 -12.264 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.486 15.899 -10.512 1.00 0.00 N ATOM 0 H ASN A 52 3.546 11.028 -12.649 1.00 0.00 H new ATOM 0 HA ASN A 52 4.451 13.017 -13.056 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.574 13.481 -10.687 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.206 13.196 -10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.698 16.882 -10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.887 15.636 -9.729 1.00 0.00 H new ATOM 841 N VAL A 53 6.722 11.612 -13.381 1.00 0.00 N ATOM 842 CA VAL A 53 8.122 11.343 -13.685 1.00 0.00 C ATOM 843 C VAL A 53 8.459 11.743 -15.117 1.00 0.00 C ATOM 844 O VAL A 53 7.612 12.262 -15.845 1.00 0.00 O ATOM 845 CB VAL A 53 8.464 9.854 -13.486 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.294 9.661 -12.226 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.194 9.019 -13.430 1.00 0.00 C ATOM 0 H VAL A 53 6.060 11.167 -14.016 1.00 0.00 H new ATOM 0 HA VAL A 53 8.717 11.940 -12.994 1.00 0.00 H new ATOM 0 HB VAL A 53 9.056 9.518 -14.338 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.526 8.603 -12.102 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.221 10.228 -12.310 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.731 10.013 -11.362 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.454 7.970 -13.289 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.575 9.354 -12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.642 9.134 -14.363 1.00 0.00 H new ATOM 857 N THR A 54 9.703 11.498 -15.517 1.00 0.00 N ATOM 858 CA THR A 54 10.154 11.833 -16.862 1.00 0.00 C ATOM 859 C THR A 54 10.664 10.598 -17.595 1.00 0.00 C ATOM 860 O THR A 54 11.858 10.298 -17.568 1.00 0.00 O ATOM 861 CB THR A 54 11.268 12.896 -16.833 1.00 0.00 C ATOM 862 OG1 THR A 54 10.847 14.027 -16.063 1.00 0.00 O ATOM 863 CG2 THR A 54 11.629 13.341 -18.242 1.00 0.00 C ATOM 0 H THR A 54 10.416 11.068 -14.928 1.00 0.00 H new ATOM 0 HA THR A 54 9.292 12.236 -17.393 1.00 0.00 H new ATOM 0 HB THR A 54 12.150 12.452 -16.372 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.562 14.697 -16.048 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.418 14.092 -18.196 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.978 12.483 -18.816 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.750 13.768 -18.725 1.00 0.00 H new ATOM 871 N ILE A 55 9.753 9.885 -18.248 1.00 0.00 N ATOM 872 CA ILE A 55 10.112 8.682 -18.990 1.00 0.00 C ATOM 873 C ILE A 55 9.450 8.665 -20.363 1.00 0.00 C ATOM 874 O ILE A 55 8.698 9.575 -20.713 1.00 0.00 O ATOM 875 CB ILE A 55 9.712 7.408 -18.223 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.554 7.712 -16.732 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.747 6.313 -18.439 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.175 8.211 -16.360 1.00 0.00 C ATOM 0 H ILE A 55 8.761 10.119 -18.279 1.00 0.00 H new ATOM 0 HA ILE A 55 11.195 8.698 -19.112 1.00 0.00 H new ATOM 0 HB ILE A 55 8.754 7.057 -18.606 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.771 6.810 -16.160 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.293 8.459 -16.441 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.451 5.419 -17.891 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.815 6.081 -19.502 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.718 6.654 -18.079 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.135 8.406 -15.288 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.962 9.131 -16.904 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.433 7.456 -16.619 1.00 0.00 H new ATOM 890 N SER A 56 9.733 7.622 -21.138 1.00 0.00 N ATOM 891 CA SER A 56 9.166 7.487 -22.474 1.00 0.00 C ATOM 892 C SER A 56 9.377 6.075 -23.013 1.00 0.00 C ATOM 893 O SER A 56 8.445 5.272 -23.062 1.00 0.00 O ATOM 894 CB SER A 56 9.797 8.507 -23.425 1.00 0.00 C ATOM 895 OG SER A 56 8.911 9.584 -23.678 1.00 0.00 O ATOM 0 H SER A 56 10.351 6.859 -20.863 1.00 0.00 H new ATOM 0 HA SER A 56 8.095 7.677 -22.408 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.723 8.887 -22.993 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.060 8.020 -24.364 1.00 0.00 H new ATOM 0 HG SER A 56 8.559 9.925 -22.829 1.00 0.00 H new ATOM 901 N ASP A 57 10.608 5.780 -23.416 1.00 0.00 N ATOM 902 CA ASP A 57 10.943 4.465 -23.950 1.00 0.00 C ATOM 903 C ASP A 57 11.624 3.605 -22.890 1.00 0.00 C ATOM 904 O ASP A 57 11.502 2.381 -22.900 1.00 0.00 O ATOM 905 CB ASP A 57 11.852 4.605 -25.173 1.00 0.00 C ATOM 906 CG ASP A 57 11.311 3.869 -26.383 1.00 0.00 C ATOM 907 OD1 ASP A 57 11.195 2.627 -26.321 1.00 0.00 O ATOM 908 OD2 ASP A 57 11.002 4.536 -27.393 1.00 0.00 O ATOM 0 H ASP A 57 11.390 6.434 -23.383 1.00 0.00 H new ATOM 0 HA ASP A 57 10.017 3.974 -24.249 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.969 5.661 -25.416 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.843 4.222 -24.931 1.00 0.00 H new ATOM 913 N GLN A 58 12.341 4.255 -21.979 1.00 0.00 N ATOM 914 CA GLN A 58 13.043 3.549 -20.914 1.00 0.00 C ATOM 915 C GLN A 58 12.073 2.714 -20.084 1.00 0.00 C ATOM 916 O GLN A 58 12.413 1.623 -19.627 1.00 0.00 O ATOM 917 CB GLN A 58 13.779 4.542 -20.014 1.00 0.00 C ATOM 918 CG GLN A 58 15.273 4.279 -19.911 1.00 0.00 C ATOM 919 CD GLN A 58 16.088 5.556 -19.859 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.727 5.858 -18.851 1.00 0.00 O ATOM 921 NE2 GLN A 58 16.071 6.315 -20.949 1.00 0.00 N ATOM 0 H GLN A 58 12.451 5.269 -21.957 1.00 0.00 H new ATOM 0 HA GLN A 58 13.770 2.879 -21.374 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.622 5.551 -20.395 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.343 4.507 -19.016 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.473 3.688 -19.017 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.593 3.683 -20.766 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.528 6.027 -21.763 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.601 7.186 -20.972 1.00 0.00 H new ATOM 930 N ASP A 59 10.866 3.234 -19.893 1.00 0.00 N ATOM 931 CA ASP A 59 9.847 2.537 -19.118 1.00 0.00 C ATOM 932 C ASP A 59 9.396 1.266 -19.832 1.00 0.00 C ATOM 933 O ASP A 59 9.377 0.185 -19.245 1.00 0.00 O ATOM 934 CB ASP A 59 8.646 3.452 -18.873 1.00 0.00 C ATOM 935 CG ASP A 59 8.141 4.098 -20.148 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.281 3.490 -20.820 1.00 0.00 O ATOM 937 OD2 ASP A 59 8.605 5.210 -20.475 1.00 0.00 O ATOM 0 H ASP A 59 10.569 4.136 -20.264 1.00 0.00 H new ATOM 0 HA ASP A 59 10.283 2.259 -18.159 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.841 2.876 -18.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.924 4.229 -18.161 1.00 0.00 H new ATOM 942 N ALA A 60 9.032 1.405 -21.103 1.00 0.00 N ATOM 943 CA ALA A 60 8.583 0.269 -21.898 1.00 0.00 C ATOM 944 C ALA A 60 9.649 -0.820 -21.950 1.00 0.00 C ATOM 945 O ALA A 60 9.350 -1.983 -22.225 1.00 0.00 O ATOM 946 CB ALA A 60 8.217 0.721 -23.304 1.00 0.00 C ATOM 0 H ALA A 60 9.039 2.294 -21.604 1.00 0.00 H new ATOM 0 HA ALA A 60 7.697 -0.150 -21.421 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.883 -0.138 -23.887 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.416 1.458 -23.252 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.090 1.167 -23.782 1.00 0.00 H new ATOM 952 N LEU A 61 10.893 -0.437 -21.686 1.00 0.00 N ATOM 953 CA LEU A 61 12.004 -1.381 -21.704 1.00 0.00 C ATOM 954 C LEU A 61 12.561 -1.594 -20.300 1.00 0.00 C ATOM 955 O LEU A 61 13.734 -1.925 -20.128 1.00 0.00 O ATOM 956 CB LEU A 61 13.111 -0.879 -22.633 1.00 0.00 C ATOM 957 CG LEU A 61 13.700 0.491 -22.295 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.922 0.342 -21.402 1.00 0.00 C ATOM 959 CD2 LEU A 61 14.056 1.246 -23.567 1.00 0.00 C ATOM 0 H LEU A 61 11.158 0.521 -21.457 1.00 0.00 H new ATOM 0 HA LEU A 61 11.631 -2.335 -22.076 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.919 -1.610 -22.631 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.717 -0.842 -23.649 1.00 0.00 H new ATOM 0 HG LEU A 61 12.948 1.065 -21.753 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.327 1.327 -21.172 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.637 -0.158 -20.476 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.679 -0.250 -21.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.474 2.219 -23.308 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.790 0.675 -24.135 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.159 1.385 -24.170 1.00 0.00 H new ATOM 971 N LYS A 62 11.710 -1.405 -19.297 1.00 0.00 N ATOM 972 CA LYS A 62 12.114 -1.579 -17.907 1.00 0.00 C ATOM 973 C LYS A 62 11.018 -2.274 -17.105 1.00 0.00 C ATOM 974 O LYS A 62 11.246 -3.326 -16.508 1.00 0.00 O ATOM 975 CB LYS A 62 12.441 -0.224 -17.276 1.00 0.00 C ATOM 976 CG LYS A 62 13.888 0.200 -17.461 1.00 0.00 C ATOM 977 CD LYS A 62 14.241 1.381 -16.572 1.00 0.00 C ATOM 978 CE LYS A 62 13.813 2.699 -17.201 1.00 0.00 C ATOM 979 NZ LYS A 62 14.601 3.847 -16.673 1.00 0.00 N ATOM 0 H LYS A 62 10.735 -1.131 -19.421 1.00 0.00 H new ATOM 0 HA LYS A 62 13.006 -2.206 -17.890 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.790 0.536 -17.709 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.217 -0.265 -16.210 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.546 -0.638 -17.232 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.060 0.465 -18.504 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.757 1.265 -15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.316 1.394 -16.392 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.935 2.642 -18.283 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.753 2.866 -17.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.246 4.732 -17.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.506 3.887 -15.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.603 3.725 -16.924 1.00 0.00 H new ATOM 993 N ILE A 63 9.829 -1.680 -17.097 1.00 0.00 N ATOM 994 CA ILE A 63 8.699 -2.244 -16.371 1.00 0.00 C ATOM 995 C ILE A 63 8.422 -3.677 -16.812 1.00 0.00 C ATOM 996 O ILE A 63 7.863 -4.473 -16.058 1.00 0.00 O ATOM 997 CB ILE A 63 7.425 -1.402 -16.571 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.561 -0.055 -15.859 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.206 -2.156 -16.060 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.241 1.005 -16.697 1.00 0.00 C ATOM 0 H ILE A 63 9.624 -0.808 -17.585 1.00 0.00 H new ATOM 0 HA ILE A 63 8.967 -2.237 -15.315 1.00 0.00 H new ATOM 0 HB ILE A 63 7.293 -1.217 -17.637 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.570 0.298 -15.575 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.126 -0.196 -14.937 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.314 -1.548 -16.208 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.102 -3.093 -16.607 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.328 -2.368 -14.998 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.303 1.933 -16.129 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.245 0.672 -16.960 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.665 1.174 -17.607 1.00 0.00 H new ATOM 1012 N ASN A 64 8.818 -4.000 -18.039 1.00 0.00 N ATOM 1013 CA ASN A 64 8.614 -5.338 -18.581 1.00 0.00 C ATOM 1014 C ASN A 64 8.909 -6.403 -17.529 1.00 0.00 C ATOM 1015 O ASN A 64 8.066 -7.250 -17.232 1.00 0.00 O ATOM 1016 CB ASN A 64 9.504 -5.556 -19.807 1.00 0.00 C ATOM 1017 CG ASN A 64 10.646 -4.561 -19.876 1.00 0.00 C ATOM 1018 OD1 ASN A 64 10.523 -3.500 -20.487 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.766 -4.902 -19.248 1.00 0.00 N ATOM 0 H ASN A 64 9.282 -3.353 -18.677 1.00 0.00 H new ATOM 0 HA ASN A 64 7.569 -5.426 -18.878 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.908 -6.568 -19.784 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.900 -5.475 -20.710 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.569 -4.273 -19.260 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.823 -5.792 -18.754 1.00 0.00 H new ATOM 1026 N THR A 65 10.113 -6.352 -16.966 1.00 0.00 N ATOM 1027 CA THR A 65 10.520 -7.312 -15.947 1.00 0.00 C ATOM 1028 C THR A 65 10.198 -6.798 -14.548 1.00 0.00 C ATOM 1029 O THR A 65 10.620 -5.708 -14.163 1.00 0.00 O ATOM 1030 CB THR A 65 12.027 -7.617 -16.034 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.779 -6.550 -15.444 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.458 -7.808 -17.480 1.00 0.00 C ATOM 0 H THR A 65 10.822 -5.657 -17.198 1.00 0.00 H new ATOM 0 HA THR A 65 9.959 -8.228 -16.133 1.00 0.00 H new ATOM 0 HB THR A 65 12.219 -8.541 -15.489 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.590 -6.392 -15.970 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.526 -8.022 -17.516 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.906 -8.640 -17.917 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.251 -6.899 -18.044 1.00 0.00 H new ATOM 1040 N VAL A 66 9.447 -7.592 -13.790 1.00 0.00 N ATOM 1041 CA VAL A 66 9.069 -7.218 -12.433 1.00 0.00 C ATOM 1042 C VAL A 66 10.260 -6.655 -11.666 1.00 0.00 C ATOM 1043 O VAL A 66 10.103 -5.797 -10.799 1.00 0.00 O ATOM 1044 CB VAL A 66 8.496 -8.420 -11.659 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.291 -8.064 -10.194 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.193 -8.887 -12.290 1.00 0.00 C ATOM 0 H VAL A 66 9.089 -8.498 -14.093 1.00 0.00 H new ATOM 0 HA VAL A 66 8.300 -6.450 -12.519 1.00 0.00 H new ATOM 0 HB VAL A 66 9.213 -9.239 -11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.886 -8.926 -9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.246 -7.782 -9.751 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.594 -7.229 -10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.802 -9.737 -11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.467 -8.074 -12.270 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.375 -9.185 -13.323 1.00 0.00 H new ATOM 1056 N GLN A 67 11.452 -7.146 -11.992 1.00 0.00 N ATOM 1057 CA GLN A 67 12.671 -6.691 -11.333 1.00 0.00 C ATOM 1058 C GLN A 67 12.976 -5.241 -11.693 1.00 0.00 C ATOM 1059 O GLN A 67 13.113 -4.388 -10.816 1.00 0.00 O ATOM 1060 CB GLN A 67 13.850 -7.585 -11.722 1.00 0.00 C ATOM 1061 CG GLN A 67 14.754 -7.942 -10.553 1.00 0.00 C ATOM 1062 CD GLN A 67 15.776 -6.864 -10.255 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.926 -6.946 -10.688 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.362 -5.844 -9.512 1.00 0.00 N ATOM 0 H GLN A 67 11.599 -7.858 -12.707 1.00 0.00 H new ATOM 0 HA GLN A 67 12.517 -6.753 -10.256 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.467 -8.503 -12.168 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.441 -7.081 -12.487 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.144 -8.114 -9.666 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.271 -8.877 -10.771 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.400 -5.817 -9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.006 -5.088 -9.279 1.00 0.00 H new ATOM 1073 N ASP A 68 13.082 -4.968 -12.989 1.00 0.00 N ATOM 1074 CA ASP A 68 13.371 -3.621 -13.466 1.00 0.00 C ATOM 1075 C ASP A 68 12.210 -2.678 -13.165 1.00 0.00 C ATOM 1076 O ASP A 68 12.406 -1.478 -12.971 1.00 0.00 O ATOM 1077 CB ASP A 68 13.654 -3.638 -14.969 1.00 0.00 C ATOM 1078 CG ASP A 68 15.067 -4.084 -15.287 1.00 0.00 C ATOM 1079 OD1 ASP A 68 16.017 -3.401 -14.849 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.224 -5.115 -15.974 1.00 0.00 O ATOM 0 H ASP A 68 12.972 -5.662 -13.728 1.00 0.00 H new ATOM 0 HA ASP A 68 14.256 -3.259 -12.942 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.946 -4.305 -15.461 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.490 -2.641 -15.378 1.00 0.00 H new ATOM 1085 N ALA A 69 11.001 -3.228 -13.129 1.00 0.00 N ATOM 1086 CA ALA A 69 9.809 -2.437 -12.851 1.00 0.00 C ATOM 1087 C ALA A 69 9.889 -1.790 -11.473 1.00 0.00 C ATOM 1088 O ALA A 69 9.944 -0.565 -11.354 1.00 0.00 O ATOM 1089 CB ALA A 69 8.563 -3.303 -12.958 1.00 0.00 C ATOM 0 H ALA A 69 10.821 -4.219 -13.289 1.00 0.00 H new ATOM 0 HA ALA A 69 9.750 -1.642 -13.594 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.681 -2.699 -12.748 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.490 -3.713 -13.965 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.624 -4.119 -12.238 1.00 0.00 H new ATOM 1095 N ILE A 70 9.893 -2.619 -10.434 1.00 0.00 N ATOM 1096 CA ILE A 70 9.966 -2.126 -9.065 1.00 0.00 C ATOM 1097 C ILE A 70 11.183 -1.229 -8.867 1.00 0.00 C ATOM 1098 O ILE A 70 11.157 -0.298 -8.062 1.00 0.00 O ATOM 1099 CB ILE A 70 10.028 -3.285 -8.052 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.355 -4.036 -8.183 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.855 -4.232 -8.259 1.00 0.00 C ATOM 1102 CD1 ILE A 70 12.398 -3.599 -7.178 1.00 0.00 C ATOM 0 H ILE A 70 9.847 -3.635 -10.515 1.00 0.00 H new ATOM 0 HA ILE A 70 9.059 -1.548 -8.890 1.00 0.00 H new ATOM 0 HB ILE A 70 9.964 -2.872 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.172 -5.104 -8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.748 -3.890 -9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.912 -5.046 -7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.920 -3.689 -8.121 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.891 -4.641 -9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.312 -4.173 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.610 -2.538 -7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.025 -3.771 -6.168 1.00 0.00 H new ATOM 1114 N ASP A 71 12.248 -1.514 -9.608 1.00 0.00 N ATOM 1115 CA ASP A 71 13.475 -0.731 -9.518 1.00 0.00 C ATOM 1116 C ASP A 71 13.326 0.600 -10.248 1.00 0.00 C ATOM 1117 O ASP A 71 14.001 1.577 -9.923 1.00 0.00 O ATOM 1118 CB ASP A 71 14.651 -1.517 -10.100 1.00 0.00 C ATOM 1119 CG ASP A 71 15.961 -1.195 -9.408 1.00 0.00 C ATOM 1120 OD1 ASP A 71 15.962 -1.068 -8.166 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.987 -1.070 -10.110 1.00 0.00 O ATOM 0 H ASP A 71 12.286 -2.282 -10.278 1.00 0.00 H new ATOM 0 HA ASP A 71 13.670 -0.527 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.450 -2.585 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.741 -1.296 -11.164 1.00 0.00 H new ATOM 1126 N TYR A 72 12.439 0.630 -11.236 1.00 0.00 N ATOM 1127 CA TYR A 72 12.203 1.840 -12.015 1.00 0.00 C ATOM 1128 C TYR A 72 11.330 2.824 -11.242 1.00 0.00 C ATOM 1129 O TYR A 72 11.393 4.033 -11.464 1.00 0.00 O ATOM 1130 CB TYR A 72 11.541 1.492 -13.349 1.00 0.00 C ATOM 1131 CG TYR A 72 10.308 2.315 -13.646 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.413 3.582 -14.206 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.038 1.825 -13.367 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.289 4.338 -14.478 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.908 2.574 -13.637 1.00 0.00 C ATOM 1136 CZ TYR A 72 8.039 3.829 -14.192 1.00 0.00 C ATOM 1137 OH TYR A 72 6.917 4.579 -14.463 1.00 0.00 O ATOM 0 H TYR A 72 11.871 -0.170 -11.517 1.00 0.00 H new ATOM 0 HA TYR A 72 13.167 2.311 -12.208 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.264 1.634 -14.152 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.271 0.436 -13.346 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.390 3.983 -14.433 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.932 0.842 -12.932 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.388 5.322 -14.912 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.928 2.178 -13.414 1.00 0.00 H new ATOM 0 HH TYR A 72 6.117 4.076 -14.204 1.00 0.00 H new ATOM 1147 N ILE A 73 10.516 2.296 -10.334 1.00 0.00 N ATOM 1148 CA ILE A 73 9.632 3.126 -9.526 1.00 0.00 C ATOM 1149 C ILE A 73 10.310 3.552 -8.229 1.00 0.00 C ATOM 1150 O ILE A 73 9.977 4.588 -7.654 1.00 0.00 O ATOM 1151 CB ILE A 73 8.321 2.391 -9.190 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.600 1.198 -8.274 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.627 1.935 -10.465 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.349 0.568 -7.704 1.00 0.00 C ATOM 0 H ILE A 73 10.451 1.297 -10.140 1.00 0.00 H new ATOM 0 HA ILE A 73 9.401 4.011 -10.119 1.00 0.00 H new ATOM 0 HB ILE A 73 7.659 3.081 -8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.155 0.444 -8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.240 1.522 -7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.702 1.417 -10.211 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.399 2.802 -11.085 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.282 1.259 -11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.623 -0.271 -7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.804 1.308 -7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.717 0.213 -8.518 1.00 0.00 H new ATOM 1166 N GLU A 74 11.264 2.745 -7.774 1.00 0.00 N ATOM 1167 CA GLU A 74 11.990 3.039 -6.544 1.00 0.00 C ATOM 1168 C GLU A 74 13.186 3.945 -6.822 1.00 0.00 C ATOM 1169 O GLU A 74 13.647 4.672 -5.941 1.00 0.00 O ATOM 1170 CB GLU A 74 12.461 1.743 -5.881 1.00 0.00 C ATOM 1171 CG GLU A 74 11.330 0.906 -5.309 1.00 0.00 C ATOM 1172 CD GLU A 74 11.445 0.715 -3.810 1.00 0.00 C ATOM 1173 OE1 GLU A 74 10.987 1.604 -3.062 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.993 -0.323 -3.384 1.00 0.00 O ATOM 0 H GLU A 74 11.552 1.884 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 74 11.312 3.559 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.008 1.148 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.161 1.987 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.378 1.384 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.323 -0.069 -5.796 1.00 0.00 H new ATOM 1181 N LYS A 75 13.684 3.897 -8.052 1.00 0.00 N ATOM 1182 CA LYS A 75 14.826 4.712 -8.449 1.00 0.00 C ATOM 1183 C LYS A 75 14.372 6.087 -8.929 1.00 0.00 C ATOM 1184 O LYS A 75 15.043 7.090 -8.692 1.00 0.00 O ATOM 1185 CB LYS A 75 15.621 4.011 -9.553 1.00 0.00 C ATOM 1186 CG LYS A 75 14.974 4.111 -10.924 1.00 0.00 C ATOM 1187 CD LYS A 75 15.586 3.122 -11.902 1.00 0.00 C ATOM 1188 CE LYS A 75 16.990 3.539 -12.313 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.954 2.409 -12.220 1.00 0.00 N ATOM 0 H LYS A 75 13.314 3.301 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 75 15.467 4.844 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.621 4.443 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.740 2.959 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.904 3.923 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.090 5.124 -11.309 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.618 2.132 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.954 3.046 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.972 3.917 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.327 4.357 -11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.899 2.734 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.991 2.064 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.647 1.638 -12.847 1.00 0.00 H new ATOM 1203 N ASN A 76 13.228 6.125 -9.604 1.00 0.00 N ATOM 1204 CA ASN A 76 12.684 7.377 -10.117 1.00 0.00 C ATOM 1205 C ASN A 76 11.981 8.158 -9.011 1.00 0.00 C ATOM 1206 O ASN A 76 12.496 9.165 -8.524 1.00 0.00 O ATOM 1207 CB ASN A 76 11.708 7.103 -11.262 1.00 0.00 C ATOM 1208 CG ASN A 76 12.418 6.788 -12.565 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.121 5.790 -13.221 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.363 7.641 -12.944 1.00 0.00 N ATOM 0 H ASN A 76 12.660 5.303 -9.809 1.00 0.00 H new ATOM 0 HA ASN A 76 13.513 7.977 -10.492 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.062 6.268 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.065 7.971 -11.403 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.876 7.481 -13.811 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.576 8.456 -12.368 1.00 0.00 H new ATOM 1217 N ASN A 77 10.802 7.687 -8.618 1.00 0.00 N ATOM 1218 CA ASN A 77 10.028 8.340 -7.569 1.00 0.00 C ATOM 1219 C ASN A 77 10.849 8.472 -6.290 1.00 0.00 C ATOM 1220 O ASN A 77 10.606 9.360 -5.471 1.00 0.00 O ATOM 1221 CB ASN A 77 8.746 7.554 -7.287 1.00 0.00 C ATOM 1222 CG ASN A 77 7.514 8.238 -7.847 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.537 8.463 -7.133 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.555 8.573 -9.132 1.00 0.00 N ATOM 0 H ASN A 77 10.362 6.855 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 77 9.764 9.339 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.832 6.557 -7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.630 7.427 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.755 9.036 -9.564 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.386 8.367 -9.686 1.00 0.00 H new