USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 535 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 18 SER OG : rot 180:sc= -0.0786 USER MOD Set 1.2: A 20 ASN : amide:sc= 0 X(o=-0.079,f=-0.079) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0401 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0293 K(o=-0.029,f=-3!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 0.731 (180deg=0.411) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 43:sc= 0.607 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 0.579 (180deg=0.145) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -174:sc= 2.31 USER MOD Single : A 43 SER OG : rot -58:sc= 0.202 USER MOD Single : A 45 SER OG : rot -1:sc= 0.627 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0627 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 159:sc= -4.4! (180deg=-6.11!) USER MOD Single : A 67 THR OG1 : rot -74:sc= 0.137 USER MOD Single : A 71 TYR OH : rot -140:sc= -1.78 USER MOD Single : A 72 ASN : amide:sc= -0.268 K(o=-0.27,f=-3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.495 11.284 -5.958 1.00 1.49 N ATOM 2 CA GLY A 1 8.433 10.016 -5.196 1.00 1.01 C ATOM 3 C GLY A 1 8.780 8.820 -6.055 1.00 0.96 C ATOM 4 O GLY A 1 8.652 8.864 -7.279 1.00 1.71 O ATOM 0 H1 GLY A 1 9.299 11.852 -5.622 1.00 1.49 H new ATOM 0 H2 GLY A 1 8.618 11.076 -6.969 1.00 1.49 H new ATOM 0 H3 GLY A 1 7.612 11.816 -5.819 1.00 1.49 H new ATOM 0 HA2 GLY A 1 9.120 10.067 -4.351 1.00 1.01 H new ATOM 0 HA3 GLY A 1 7.431 9.889 -4.785 1.00 1.01 H new ATOM 8 N ASN A 2 9.240 7.754 -5.421 1.00 0.45 N ATOM 9 CA ASN A 2 9.573 6.527 -6.132 1.00 0.32 C ATOM 10 C ASN A 2 8.607 5.428 -5.755 1.00 0.22 C ATOM 11 O ASN A 2 8.088 5.404 -4.636 1.00 0.22 O ATOM 12 CB ASN A 2 10.993 6.061 -5.804 1.00 0.41 C ATOM 13 CG ASN A 2 12.075 6.973 -6.349 1.00 1.21 C ATOM 14 OD1 ASN A 2 11.889 8.184 -6.491 1.00 2.00 O ATOM 15 ND2 ASN A 2 13.220 6.391 -6.659 1.00 1.83 N ATOM 0 H ASN A 2 9.392 7.712 -4.413 1.00 0.45 H new ATOM 0 HA ASN A 2 9.506 6.739 -7.199 1.00 0.32 H new ATOM 0 HB2 ASN A 2 11.102 5.990 -4.722 1.00 0.41 H new ATOM 0 HB3 ASN A 2 11.139 5.058 -6.206 1.00 0.41 H new ATOM 0 HD21 ASN A 2 13.990 6.947 -7.031 1.00 1.83 H new ATOM 0 HD22 ASN A 2 13.334 5.386 -6.527 1.00 1.83 H new ATOM 22 N ALA A 3 8.353 4.529 -6.689 1.00 0.18 N ATOM 23 CA ALA A 3 7.542 3.369 -6.406 1.00 0.14 C ATOM 24 C ALA A 3 8.371 2.374 -5.613 1.00 0.15 C ATOM 25 O ALA A 3 9.278 1.736 -6.140 1.00 0.24 O ATOM 26 CB ALA A 3 7.022 2.760 -7.695 1.00 0.17 C ATOM 0 H ALA A 3 8.698 4.584 -7.647 1.00 0.18 H new ATOM 0 HA ALA A 3 6.674 3.656 -5.812 1.00 0.14 H new ATOM 0 HB1 ALA A 3 6.412 1.886 -7.465 1.00 0.17 H new ATOM 0 HB2 ALA A 3 6.417 3.495 -8.226 1.00 0.17 H new ATOM 0 HB3 ALA A 3 7.863 2.461 -8.321 1.00 0.17 H new ATOM 32 N ILE A 4 8.041 2.254 -4.345 1.00 0.10 N ATOM 33 CA ILE A 4 8.849 1.507 -3.400 1.00 0.10 C ATOM 34 C ILE A 4 8.379 0.063 -3.286 1.00 0.09 C ATOM 35 O ILE A 4 9.045 -0.772 -2.678 1.00 0.11 O ATOM 36 CB ILE A 4 8.799 2.175 -2.016 1.00 0.11 C ATOM 37 CG1 ILE A 4 7.378 2.138 -1.451 1.00 0.12 C ATOM 38 CG2 ILE A 4 9.306 3.603 -2.118 1.00 0.14 C ATOM 39 CD1 ILE A 4 7.245 2.752 -0.075 1.00 0.15 C ATOM 0 H ILE A 4 7.204 2.672 -3.938 1.00 0.10 H new ATOM 0 HA ILE A 4 9.875 1.506 -3.769 1.00 0.10 H new ATOM 0 HB ILE A 4 9.443 1.623 -1.331 1.00 0.11 H new ATOM 0 HG12 ILE A 4 6.712 2.662 -2.137 1.00 0.12 H new ATOM 0 HG13 ILE A 4 7.042 1.102 -1.409 1.00 0.12 H new ATOM 0 HG21 ILE A 4 9.269 4.073 -1.135 1.00 0.14 H new ATOM 0 HG22 ILE A 4 10.334 3.599 -2.480 1.00 0.14 H new ATOM 0 HG23 ILE A 4 8.679 4.163 -2.812 1.00 0.14 H new ATOM 0 HD11 ILE A 4 6.208 2.686 0.254 1.00 0.15 H new ATOM 0 HD12 ILE A 4 7.883 2.215 0.626 1.00 0.15 H new ATOM 0 HD13 ILE A 4 7.548 3.798 -0.113 1.00 0.15 H new ATOM 51 N GLY A 5 7.229 -0.221 -3.865 1.00 0.09 N ATOM 52 CA GLY A 5 6.705 -1.564 -3.838 1.00 0.09 C ATOM 53 C GLY A 5 5.558 -1.725 -4.791 1.00 0.08 C ATOM 54 O GLY A 5 5.143 -0.759 -5.426 1.00 0.10 O ATOM 0 H GLY A 5 6.646 0.458 -4.355 1.00 0.09 H new ATOM 0 HA2 GLY A 5 7.495 -2.269 -4.095 1.00 0.09 H new ATOM 0 HA3 GLY A 5 6.377 -1.808 -2.827 1.00 0.09 H new ATOM 58 N PHE A 6 5.051 -2.937 -4.902 1.00 0.08 N ATOM 59 CA PHE A 6 4.005 -3.236 -5.858 1.00 0.08 C ATOM 60 C PHE A 6 3.042 -4.260 -5.287 1.00 0.09 C ATOM 61 O PHE A 6 3.419 -5.099 -4.472 1.00 0.10 O ATOM 62 CB PHE A 6 4.620 -3.751 -7.156 1.00 0.09 C ATOM 63 CG PHE A 6 5.479 -2.725 -7.839 1.00 0.11 C ATOM 64 CD1 PHE A 6 4.950 -1.848 -8.784 1.00 0.15 C ATOM 65 CD2 PHE A 6 6.826 -2.654 -7.546 1.00 0.13 C ATOM 66 CE1 PHE A 6 5.760 -0.923 -9.414 1.00 0.18 C ATOM 67 CE2 PHE A 6 7.639 -1.732 -8.174 1.00 0.16 C ATOM 68 CZ PHE A 6 7.026 -0.794 -9.102 1.00 0.20 C ATOM 0 H PHE A 6 5.349 -3.734 -4.339 1.00 0.08 H new ATOM 0 HA PHE A 6 3.449 -2.322 -6.069 1.00 0.08 H new ATOM 0 HB2 PHE A 6 5.219 -4.636 -6.943 1.00 0.09 H new ATOM 0 HB3 PHE A 6 3.823 -4.060 -7.833 1.00 0.09 H new ATOM 0 HD1 PHE A 6 3.898 -1.892 -9.026 1.00 0.15 H new ATOM 0 HD2 PHE A 6 7.249 -3.328 -6.816 1.00 0.13 H new ATOM 0 HE1 PHE A 6 5.340 -0.291 -10.182 1.00 0.18 H new ATOM 0 HE2 PHE A 6 8.701 -1.708 -7.982 1.00 0.16 H new ATOM 0 HZ PHE A 6 7.612 0.005 -9.532 1.00 0.20 H new ATOM 78 N ILE A 7 1.798 -4.178 -5.715 1.00 0.09 N ATOM 79 CA ILE A 7 0.754 -5.064 -5.216 1.00 0.09 C ATOM 80 C ILE A 7 0.848 -6.435 -5.865 1.00 0.11 C ATOM 81 O ILE A 7 0.810 -6.551 -7.090 1.00 0.14 O ATOM 82 CB ILE A 7 -0.650 -4.502 -5.497 1.00 0.10 C ATOM 83 CG1 ILE A 7 -0.740 -3.021 -5.123 1.00 0.11 C ATOM 84 CG2 ILE A 7 -1.698 -5.305 -4.744 1.00 0.10 C ATOM 85 CD1 ILE A 7 -0.475 -2.723 -3.670 1.00 0.11 C ATOM 0 H ILE A 7 1.480 -3.504 -6.411 1.00 0.09 H new ATOM 0 HA ILE A 7 0.906 -5.144 -4.140 1.00 0.09 H new ATOM 0 HB ILE A 7 -0.841 -4.588 -6.567 1.00 0.10 H new ATOM 0 HG12 ILE A 7 -0.028 -2.463 -5.730 1.00 0.11 H new ATOM 0 HG13 ILE A 7 -1.734 -2.655 -5.380 1.00 0.11 H new ATOM 0 HG21 ILE A 7 -2.687 -4.897 -4.951 1.00 0.10 H new ATOM 0 HG22 ILE A 7 -1.660 -6.346 -5.066 1.00 0.10 H new ATOM 0 HG23 ILE A 7 -1.500 -5.249 -3.674 1.00 0.10 H new ATOM 0 HD11 ILE A 7 -0.560 -1.650 -3.497 1.00 0.11 H new ATOM 0 HD12 ILE A 7 -1.203 -3.249 -3.052 1.00 0.11 H new ATOM 0 HD13 ILE A 7 0.530 -3.054 -3.408 1.00 0.11 H new ATOM 97 N THR A 8 0.965 -7.469 -5.049 1.00 0.12 N ATOM 98 CA THR A 8 1.028 -8.829 -5.560 1.00 0.15 C ATOM 99 C THR A 8 -0.171 -9.640 -5.091 1.00 0.16 C ATOM 100 O THR A 8 -0.558 -10.623 -5.719 1.00 0.20 O ATOM 101 CB THR A 8 2.334 -9.501 -5.115 1.00 0.16 C ATOM 102 OG1 THR A 8 2.444 -9.450 -3.687 1.00 0.17 O ATOM 103 CG2 THR A 8 3.522 -8.795 -5.740 1.00 0.17 C ATOM 0 H THR A 8 1.018 -7.394 -4.033 1.00 0.12 H new ATOM 0 HA THR A 8 1.005 -8.788 -6.649 1.00 0.15 H new ATOM 0 HB THR A 8 2.324 -10.541 -5.441 1.00 0.16 H new ATOM 0 HG1 THR A 8 3.278 -9.881 -3.408 1.00 0.17 H new ATOM 0 HG21 THR A 8 4.444 -9.279 -5.418 1.00 0.17 H new ATOM 0 HG22 THR A 8 3.445 -8.846 -6.826 1.00 0.17 H new ATOM 0 HG23 THR A 8 3.532 -7.751 -5.426 1.00 0.17 H new ATOM 111 N LYS A 9 -0.761 -9.211 -3.994 1.00 0.15 N ATOM 112 CA LYS A 9 -1.995 -9.798 -3.503 1.00 0.17 C ATOM 113 C LYS A 9 -2.876 -8.676 -2.995 1.00 0.14 C ATOM 114 O LYS A 9 -2.386 -7.760 -2.345 1.00 0.17 O ATOM 115 CB LYS A 9 -1.718 -10.799 -2.378 1.00 0.22 C ATOM 116 CG LYS A 9 -2.900 -11.689 -2.033 1.00 0.33 C ATOM 117 CD LYS A 9 -3.187 -12.692 -3.138 1.00 1.11 C ATOM 118 CE LYS A 9 -4.362 -13.591 -2.789 1.00 1.47 C ATOM 119 NZ LYS A 9 -5.644 -12.840 -2.708 1.00 2.36 N ATOM 0 H LYS A 9 -0.402 -8.449 -3.419 1.00 0.15 H new ATOM 0 HA LYS A 9 -2.490 -10.339 -4.309 1.00 0.17 H new ATOM 0 HB2 LYS A 9 -0.875 -11.428 -2.665 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -1.417 -10.251 -1.485 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -2.697 -12.220 -1.103 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -3.783 -11.073 -1.862 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -3.398 -12.161 -4.066 1.00 1.11 H new ATOM 0 HD3 LYS A 9 -2.301 -13.302 -3.315 1.00 1.11 H new ATOM 0 HE2 LYS A 9 -4.451 -14.377 -3.539 1.00 1.47 H new ATOM 0 HE3 LYS A 9 -4.170 -14.082 -1.835 1.00 1.47 H new ATOM 0 HZ1 LYS A 9 -6.441 -13.501 -2.807 1.00 2.36 H new ATOM 0 HZ2 LYS A 9 -5.707 -12.358 -1.789 1.00 2.36 H new ATOM 0 HZ3 LYS A 9 -5.682 -12.135 -3.472 1.00 2.36 H new ATOM 133 N LEU A 10 -4.150 -8.711 -3.318 1.00 0.13 N ATOM 134 CA LEU A 10 -5.049 -7.664 -2.886 1.00 0.13 C ATOM 135 C LEU A 10 -6.467 -8.180 -2.767 1.00 0.13 C ATOM 136 O LEU A 10 -6.945 -8.926 -3.623 1.00 0.17 O ATOM 137 CB LEU A 10 -4.985 -6.489 -3.857 1.00 0.13 C ATOM 138 CG LEU A 10 -5.998 -5.376 -3.610 1.00 0.16 C ATOM 139 CD1 LEU A 10 -5.385 -4.040 -3.962 1.00 0.20 C ATOM 140 CD2 LEU A 10 -7.262 -5.604 -4.427 1.00 0.18 C ATOM 0 H LEU A 10 -4.584 -9.447 -3.874 1.00 0.13 H new ATOM 0 HA LEU A 10 -4.734 -7.324 -1.899 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -3.984 -6.061 -3.816 1.00 0.13 H new ATOM 0 HB3 LEU A 10 -5.128 -6.868 -4.869 1.00 0.13 H new ATOM 0 HG LEU A 10 -6.269 -5.381 -2.554 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -6.112 -3.248 -3.784 1.00 0.20 H new ATOM 0 HD12 LEU A 10 -4.504 -3.870 -3.343 1.00 0.20 H new ATOM 0 HD13 LEU A 10 -5.096 -4.038 -5.013 1.00 0.20 H new ATOM 0 HD21 LEU A 10 -7.970 -4.798 -4.235 1.00 0.18 H new ATOM 0 HD22 LEU A 10 -7.011 -5.622 -5.488 1.00 0.18 H new ATOM 0 HD23 LEU A 10 -7.711 -6.556 -4.145 1.00 0.18 H new ATOM 152 N ASP A 11 -7.129 -7.762 -1.704 1.00 0.14 N ATOM 153 CA ASP A 11 -8.495 -8.177 -1.436 1.00 0.16 C ATOM 154 C ASP A 11 -9.265 -7.077 -0.724 1.00 0.16 C ATOM 155 O ASP A 11 -8.675 -6.205 -0.080 1.00 0.19 O ATOM 156 CB ASP A 11 -8.526 -9.437 -0.579 1.00 0.25 C ATOM 157 CG ASP A 11 -8.092 -10.692 -1.315 1.00 1.08 C ATOM 158 OD1 ASP A 11 -6.986 -11.202 -1.036 1.00 1.94 O ATOM 159 OD2 ASP A 11 -8.843 -11.162 -2.197 1.00 1.41 O ATOM 0 H ASP A 11 -6.739 -7.129 -1.006 1.00 0.14 H new ATOM 0 HA ASP A 11 -8.965 -8.385 -2.397 1.00 0.16 H new ATOM 0 HB2 ASP A 11 -7.878 -9.292 0.286 1.00 0.25 H new ATOM 0 HB3 ASP A 11 -9.537 -9.582 -0.199 1.00 0.25 H new ATOM 164 N GLY A 12 -10.582 -7.127 -0.840 1.00 0.23 N ATOM 165 CA GLY A 12 -11.436 -6.189 -0.141 1.00 0.23 C ATOM 166 C GLY A 12 -11.486 -4.832 -0.810 1.00 0.20 C ATOM 167 O GLY A 12 -11.187 -4.702 -1.998 1.00 0.27 O ATOM 0 H GLY A 12 -11.080 -7.808 -1.412 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -12.445 -6.597 -0.082 1.00 0.23 H new ATOM 0 HA3 GLY A 12 -11.079 -6.072 0.882 1.00 0.23 H new ATOM 171 N SER A 13 -11.863 -3.822 -0.045 1.00 0.18 N ATOM 172 CA SER A 13 -11.966 -2.470 -0.563 1.00 0.18 C ATOM 173 C SER A 13 -10.771 -1.660 -0.090 1.00 0.15 C ATOM 174 O SER A 13 -10.559 -1.501 1.113 1.00 0.19 O ATOM 175 CB SER A 13 -13.271 -1.823 -0.086 1.00 0.23 C ATOM 176 OG SER A 13 -13.528 -0.611 -0.771 1.00 1.16 O ATOM 0 H SER A 13 -12.104 -3.914 0.942 1.00 0.18 H new ATOM 0 HA SER A 13 -11.973 -2.497 -1.653 1.00 0.18 H new ATOM 0 HB2 SER A 13 -14.100 -2.514 -0.243 1.00 0.23 H new ATOM 0 HB3 SER A 13 -13.213 -1.632 0.986 1.00 0.23 H new ATOM 0 HG SER A 13 -14.367 -0.223 -0.446 1.00 1.16 H new ATOM 182 N VAL A 14 -9.970 -1.170 -1.030 1.00 0.13 N ATOM 183 CA VAL A 14 -8.751 -0.460 -0.677 1.00 0.12 C ATOM 184 C VAL A 14 -8.577 0.811 -1.508 1.00 0.11 C ATOM 185 O VAL A 14 -9.072 0.923 -2.631 1.00 0.13 O ATOM 186 CB VAL A 14 -7.488 -1.339 -0.827 1.00 0.16 C ATOM 187 CG1 VAL A 14 -7.695 -2.711 -0.199 1.00 0.19 C ATOM 188 CG2 VAL A 14 -7.092 -1.464 -2.282 1.00 0.20 C ATOM 0 H VAL A 14 -10.142 -1.251 -2.032 1.00 0.13 H new ATOM 0 HA VAL A 14 -8.861 -0.192 0.374 1.00 0.12 H new ATOM 0 HB VAL A 14 -6.673 -0.850 -0.294 1.00 0.16 H new ATOM 0 HG11 VAL A 14 -6.790 -3.307 -0.320 1.00 0.19 H new ATOM 0 HG12 VAL A 14 -7.914 -2.596 0.862 1.00 0.19 H new ATOM 0 HG13 VAL A 14 -8.529 -3.214 -0.689 1.00 0.19 H new ATOM 0 HG21 VAL A 14 -6.201 -2.087 -2.364 1.00 0.20 H new ATOM 0 HG22 VAL A 14 -7.907 -1.921 -2.843 1.00 0.20 H new ATOM 0 HG23 VAL A 14 -6.882 -0.475 -2.688 1.00 0.20 H new ATOM 198 N THR A 15 -7.872 1.758 -0.927 1.00 0.10 N ATOM 199 CA THR A 15 -7.622 3.058 -1.528 1.00 0.10 C ATOM 200 C THR A 15 -6.269 3.564 -1.050 1.00 0.10 C ATOM 201 O THR A 15 -5.764 3.081 -0.044 1.00 0.10 O ATOM 202 CB THR A 15 -8.722 4.066 -1.127 1.00 0.13 C ATOM 203 OG1 THR A 15 -9.570 3.494 -0.117 1.00 0.17 O ATOM 204 CG2 THR A 15 -9.564 4.468 -2.327 1.00 0.17 C ATOM 0 H THR A 15 -7.447 1.647 -0.006 1.00 0.10 H new ATOM 0 HA THR A 15 -7.628 2.958 -2.613 1.00 0.10 H new ATOM 0 HB THR A 15 -8.232 4.957 -0.734 1.00 0.13 H new ATOM 0 HG1 THR A 15 -9.020 3.024 0.544 1.00 0.17 H new ATOM 0 HG21 THR A 15 -10.329 5.178 -2.013 1.00 0.17 H new ATOM 0 HG22 THR A 15 -8.926 4.931 -3.080 1.00 0.17 H new ATOM 0 HG23 THR A 15 -10.041 3.584 -2.750 1.00 0.17 H new ATOM 212 N VAL A 16 -5.656 4.488 -1.769 1.00 0.10 N ATOM 213 CA VAL A 16 -4.432 5.096 -1.276 1.00 0.11 C ATOM 214 C VAL A 16 -4.435 6.604 -1.492 1.00 0.11 C ATOM 215 O VAL A 16 -4.823 7.096 -2.548 1.00 0.12 O ATOM 216 CB VAL A 16 -3.157 4.469 -1.898 1.00 0.12 C ATOM 217 CG1 VAL A 16 -2.754 5.139 -3.196 1.00 0.12 C ATOM 218 CG2 VAL A 16 -2.004 4.506 -0.913 1.00 0.16 C ATOM 0 H VAL A 16 -5.976 4.828 -2.676 1.00 0.10 H new ATOM 0 HA VAL A 16 -4.405 4.893 -0.205 1.00 0.11 H new ATOM 0 HB VAL A 16 -3.400 3.432 -2.129 1.00 0.12 H new ATOM 0 HG11 VAL A 16 -1.856 4.662 -3.588 1.00 0.12 H new ATOM 0 HG12 VAL A 16 -3.562 5.043 -3.921 1.00 0.12 H new ATOM 0 HG13 VAL A 16 -2.553 6.195 -3.014 1.00 0.12 H new ATOM 0 HG21 VAL A 16 -1.120 4.061 -1.370 1.00 0.16 H new ATOM 0 HG22 VAL A 16 -1.791 5.540 -0.641 1.00 0.16 H new ATOM 0 HG23 VAL A 16 -2.272 3.944 -0.018 1.00 0.16 H new ATOM 228 N GLN A 17 -4.039 7.315 -0.454 1.00 0.12 N ATOM 229 CA GLN A 17 -3.871 8.754 -0.497 1.00 0.12 C ATOM 230 C GLN A 17 -2.411 9.072 -0.730 1.00 0.13 C ATOM 231 O GLN A 17 -1.614 9.020 0.200 1.00 0.13 O ATOM 232 CB GLN A 17 -4.328 9.373 0.824 1.00 0.14 C ATOM 233 CG GLN A 17 -5.576 10.215 0.701 1.00 0.21 C ATOM 234 CD GLN A 17 -6.048 10.758 2.035 1.00 0.29 C ATOM 235 OE1 GLN A 17 -5.249 11.002 2.942 1.00 0.50 O ATOM 236 NE2 GLN A 17 -7.349 10.955 2.165 1.00 0.51 N ATOM 0 H GLN A 17 -3.822 6.904 0.454 1.00 0.12 H new ATOM 0 HA GLN A 17 -4.473 9.167 -1.306 1.00 0.12 H new ATOM 0 HB2 GLN A 17 -4.508 8.576 1.545 1.00 0.14 H new ATOM 0 HB3 GLN A 17 -3.523 9.989 1.224 1.00 0.14 H new ATOM 0 HG2 GLN A 17 -5.383 11.046 0.023 1.00 0.21 H new ATOM 0 HG3 GLN A 17 -6.371 9.617 0.255 1.00 0.21 H new ATOM 0 HE21 GLN A 17 -7.977 10.740 1.391 1.00 0.51 H new ATOM 0 HE22 GLN A 17 -7.724 11.322 3.040 1.00 0.51 H new ATOM 245 N SER A 18 -2.054 9.391 -1.960 1.00 0.16 N ATOM 246 CA SER A 18 -0.656 9.610 -2.301 1.00 0.21 C ATOM 247 C SER A 18 -0.082 10.800 -1.535 1.00 0.24 C ATOM 248 O SER A 18 -0.794 11.456 -0.775 1.00 0.25 O ATOM 249 CB SER A 18 -0.505 9.836 -3.804 1.00 0.28 C ATOM 250 OG SER A 18 -1.325 10.909 -4.243 1.00 1.25 O ATOM 0 H SER A 18 -2.706 9.504 -2.737 1.00 0.16 H new ATOM 0 HA SER A 18 -0.098 8.718 -2.016 1.00 0.21 H new ATOM 0 HB2 SER A 18 0.537 10.050 -4.040 1.00 0.28 H new ATOM 0 HB3 SER A 18 -0.773 8.926 -4.341 1.00 0.28 H new ATOM 0 HG SER A 18 -1.210 11.035 -5.208 1.00 1.25 H new ATOM 256 N ILE A 19 1.192 11.095 -1.741 1.00 0.29 N ATOM 257 CA ILE A 19 1.804 12.258 -1.106 1.00 0.33 C ATOM 258 C ILE A 19 1.109 13.547 -1.542 1.00 0.40 C ATOM 259 O ILE A 19 1.163 14.560 -0.848 1.00 0.59 O ATOM 260 CB ILE A 19 3.313 12.352 -1.397 1.00 0.37 C ATOM 261 CG1 ILE A 19 3.597 12.146 -2.888 1.00 0.44 C ATOM 262 CG2 ILE A 19 4.075 11.340 -0.556 1.00 0.37 C ATOM 263 CD1 ILE A 19 5.073 12.109 -3.219 1.00 0.53 C ATOM 0 H ILE A 19 1.819 10.553 -2.336 1.00 0.29 H new ATOM 0 HA ILE A 19 1.679 12.130 -0.031 1.00 0.33 H new ATOM 0 HB ILE A 19 3.654 13.352 -1.128 1.00 0.37 H new ATOM 0 HG12 ILE A 19 3.136 11.213 -3.213 1.00 0.44 H new ATOM 0 HG13 ILE A 19 3.125 12.949 -3.454 1.00 0.44 H new ATOM 0 HG21 ILE A 19 5.141 11.417 -0.771 1.00 0.37 H new ATOM 0 HG22 ILE A 19 3.903 11.542 0.501 1.00 0.37 H new ATOM 0 HG23 ILE A 19 3.728 10.334 -0.794 1.00 0.37 H new ATOM 0 HD11 ILE A 19 5.202 11.960 -4.291 1.00 0.53 H new ATOM 0 HD12 ILE A 19 5.536 13.051 -2.925 1.00 0.53 H new ATOM 0 HD13 ILE A 19 5.546 11.289 -2.680 1.00 0.53 H new ATOM 275 N ASN A 20 0.424 13.487 -2.679 1.00 0.40 N ATOM 276 CA ASN A 20 -0.341 14.626 -3.174 1.00 0.46 C ATOM 277 C ASN A 20 -1.681 14.714 -2.449 1.00 0.40 C ATOM 278 O ASN A 20 -2.418 15.687 -2.593 1.00 0.49 O ATOM 279 CB ASN A 20 -0.579 14.509 -4.684 1.00 0.56 C ATOM 280 CG ASN A 20 0.705 14.316 -5.468 1.00 0.95 C ATOM 281 OD1 ASN A 20 1.403 15.276 -5.789 1.00 1.96 O ATOM 282 ND2 ASN A 20 1.009 13.071 -5.810 1.00 0.83 N ATOM 0 H ASN A 20 0.383 12.661 -3.276 1.00 0.40 H new ATOM 0 HA ASN A 20 0.235 15.531 -2.981 1.00 0.46 H new ATOM 0 HB2 ASN A 20 -1.247 13.670 -4.878 1.00 0.56 H new ATOM 0 HB3 ASN A 20 -1.084 15.408 -5.038 1.00 0.56 H new ATOM 0 HD21 ASN A 20 1.848 12.883 -6.359 1.00 0.83 H new ATOM 0 HD22 ASN A 20 0.404 12.301 -5.524 1.00 0.83 H new ATOM 289 N GLY A 21 -1.993 13.670 -1.687 1.00 0.31 N ATOM 290 CA GLY A 21 -3.230 13.624 -0.927 1.00 0.29 C ATOM 291 C GLY A 21 -4.359 13.096 -1.768 1.00 0.27 C ATOM 292 O GLY A 21 -5.529 13.174 -1.395 1.00 0.32 O ATOM 0 H GLY A 21 -1.403 12.845 -1.582 1.00 0.31 H new ATOM 0 HA2 GLY A 21 -3.099 12.991 -0.049 1.00 0.29 H new ATOM 0 HA3 GLY A 21 -3.477 14.622 -0.566 1.00 0.29 H new ATOM 296 N GLN A 22 -3.991 12.543 -2.908 1.00 0.26 N ATOM 297 CA GLN A 22 -4.951 12.028 -3.857 1.00 0.25 C ATOM 298 C GLN A 22 -5.272 10.573 -3.564 1.00 0.19 C ATOM 299 O GLN A 22 -4.379 9.726 -3.544 1.00 0.18 O ATOM 300 CB GLN A 22 -4.404 12.171 -5.271 1.00 0.32 C ATOM 301 CG GLN A 22 -4.379 13.609 -5.761 1.00 0.48 C ATOM 302 CD GLN A 22 -4.048 13.735 -7.237 1.00 1.39 C ATOM 303 OE1 GLN A 22 -3.268 12.807 -7.765 1.00 2.21 O flip ATOM 304 NE2 GLN A 22 -4.497 14.669 -7.901 1.00 2.08 N flip ATOM 0 H GLN A 22 -3.019 12.440 -3.199 1.00 0.26 H new ATOM 0 HA GLN A 22 -5.872 12.604 -3.768 1.00 0.25 H new ATOM 0 HB2 GLN A 22 -3.393 11.765 -5.305 1.00 0.32 H new ATOM 0 HB3 GLN A 22 -5.011 11.573 -5.951 1.00 0.32 H new ATOM 0 HG2 GLN A 22 -5.350 14.066 -5.573 1.00 0.48 H new ATOM 0 HG3 GLN A 22 -3.645 14.170 -5.182 1.00 0.48 H new ATOM 0 HE21 GLN A 22 -5.096 15.367 -7.460 1.00 2.08 H new ATOM 0 HE22 GLN A 22 -4.270 14.745 -8.893 1.00 2.08 H new ATOM 313 N GLU A 23 -6.543 10.298 -3.331 1.00 0.21 N ATOM 314 CA GLU A 23 -7.000 8.946 -3.063 1.00 0.16 C ATOM 315 C GLU A 23 -7.371 8.242 -4.362 1.00 0.19 C ATOM 316 O GLU A 23 -8.266 8.679 -5.088 1.00 0.28 O ATOM 317 CB GLU A 23 -8.197 8.967 -2.107 1.00 0.19 C ATOM 318 CG GLU A 23 -8.963 7.667 -2.042 1.00 0.58 C ATOM 319 CD GLU A 23 -10.232 7.791 -1.230 1.00 0.78 C ATOM 320 OE1 GLU A 23 -11.287 8.116 -1.815 1.00 1.00 O ATOM 321 OE2 GLU A 23 -10.182 7.569 -0.006 1.00 0.97 O ATOM 0 H GLU A 23 -7.283 11.000 -3.322 1.00 0.21 H new ATOM 0 HA GLU A 23 -6.188 8.394 -2.590 1.00 0.16 H new ATOM 0 HB2 GLU A 23 -7.844 9.218 -1.107 1.00 0.19 H new ATOM 0 HB3 GLU A 23 -8.878 9.761 -2.413 1.00 0.19 H new ATOM 0 HG2 GLU A 23 -9.211 7.343 -3.053 1.00 0.58 H new ATOM 0 HG3 GLU A 23 -8.329 6.895 -1.606 1.00 0.58 H new ATOM 328 N ARG A 24 -6.666 7.163 -4.659 1.00 0.21 N ATOM 329 CA ARG A 24 -6.976 6.349 -5.821 1.00 0.30 C ATOM 330 C ARG A 24 -7.328 4.947 -5.376 1.00 0.27 C ATOM 331 O ARG A 24 -7.062 4.566 -4.234 1.00 0.33 O ATOM 332 CB ARG A 24 -5.793 6.291 -6.785 1.00 0.43 C ATOM 333 CG ARG A 24 -4.671 5.378 -6.328 1.00 0.45 C ATOM 334 CD ARG A 24 -3.429 5.553 -7.187 1.00 0.51 C ATOM 335 NE ARG A 24 -2.377 4.620 -6.806 1.00 0.66 N ATOM 336 CZ ARG A 24 -1.269 4.963 -6.152 1.00 0.75 C ATOM 337 NH1 ARG A 24 -1.042 6.230 -5.836 1.00 1.55 N ATOM 338 NH2 ARG A 24 -0.382 4.036 -5.819 1.00 1.22 N ATOM 0 H ARG A 24 -5.874 6.830 -4.110 1.00 0.21 H new ATOM 0 HA ARG A 24 -7.821 6.802 -6.339 1.00 0.30 H new ATOM 0 HB2 ARG A 24 -6.147 5.955 -7.759 1.00 0.43 H new ATOM 0 HB3 ARG A 24 -5.397 7.298 -6.920 1.00 0.43 H new ATOM 0 HG2 ARG A 24 -4.428 5.591 -5.287 1.00 0.45 H new ATOM 0 HG3 ARG A 24 -5.003 4.341 -6.373 1.00 0.45 H new ATOM 0 HD2 ARG A 24 -3.687 5.403 -8.235 1.00 0.51 H new ATOM 0 HD3 ARG A 24 -3.062 6.575 -7.092 1.00 0.51 H new ATOM 0 HE ARG A 24 -2.497 3.639 -7.057 1.00 0.66 H new ATOM 0 HH11 ARG A 24 -1.718 6.949 -6.094 1.00 1.55 H new ATOM 0 HH12 ARG A 24 -0.191 6.486 -5.335 1.00 1.55 H new ATOM 0 HH21 ARG A 24 -0.548 3.060 -6.064 1.00 1.22 H new ATOM 0 HH22 ARG A 24 0.467 4.299 -5.318 1.00 1.22 H new ATOM 352 N VAL A 25 -7.903 4.181 -6.276 1.00 0.26 N ATOM 353 CA VAL A 25 -8.259 2.808 -5.969 1.00 0.25 C ATOM 354 C VAL A 25 -7.110 1.894 -6.342 1.00 0.23 C ATOM 355 O VAL A 25 -6.590 1.939 -7.461 1.00 0.32 O ATOM 356 CB VAL A 25 -9.560 2.352 -6.670 1.00 0.31 C ATOM 357 CG1 VAL A 25 -9.404 2.325 -8.184 1.00 0.35 C ATOM 358 CG2 VAL A 25 -9.998 0.990 -6.153 1.00 0.32 C ATOM 0 H VAL A 25 -8.134 4.481 -7.223 1.00 0.26 H new ATOM 0 HA VAL A 25 -8.450 2.752 -4.897 1.00 0.25 H new ATOM 0 HB VAL A 25 -10.334 3.082 -6.432 1.00 0.31 H new ATOM 0 HG11 VAL A 25 -10.339 2.000 -8.640 1.00 0.35 H new ATOM 0 HG12 VAL A 25 -9.154 3.324 -8.542 1.00 0.35 H new ATOM 0 HG13 VAL A 25 -8.607 1.632 -8.455 1.00 0.35 H new ATOM 0 HG21 VAL A 25 -10.915 0.687 -6.658 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -9.216 0.257 -6.350 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -10.178 1.049 -5.080 1.00 0.32 H new ATOM 368 N LEU A 26 -6.698 1.081 -5.399 1.00 0.16 N ATOM 369 CA LEU A 26 -5.545 0.234 -5.613 1.00 0.15 C ATOM 370 C LEU A 26 -5.943 -1.098 -6.187 1.00 0.15 C ATOM 371 O LEU A 26 -7.049 -1.594 -5.958 1.00 0.28 O ATOM 372 CB LEU A 26 -4.729 0.050 -4.342 1.00 0.15 C ATOM 373 CG LEU A 26 -3.914 1.270 -3.931 1.00 0.17 C ATOM 374 CD1 LEU A 26 -2.693 0.833 -3.154 1.00 0.23 C ATOM 375 CD2 LEU A 26 -3.506 2.071 -5.154 1.00 0.32 C ATOM 0 H LEU A 26 -7.138 0.987 -4.484 1.00 0.16 H new ATOM 0 HA LEU A 26 -4.911 0.742 -6.339 1.00 0.15 H new ATOM 0 HB2 LEU A 26 -5.404 -0.212 -3.527 1.00 0.15 H new ATOM 0 HB3 LEU A 26 -4.052 -0.794 -4.479 1.00 0.15 H new ATOM 0 HG LEU A 26 -4.528 1.907 -3.294 1.00 0.17 H new ATOM 0 HD11 LEU A 26 -2.114 1.709 -2.863 1.00 0.23 H new ATOM 0 HD12 LEU A 26 -3.005 0.291 -2.261 1.00 0.23 H new ATOM 0 HD13 LEU A 26 -2.079 0.183 -3.777 1.00 0.23 H new ATOM 0 HD21 LEU A 26 -2.925 2.939 -4.843 1.00 0.32 H new ATOM 0 HD22 LEU A 26 -2.902 1.447 -5.813 1.00 0.32 H new ATOM 0 HD23 LEU A 26 -4.398 2.403 -5.686 1.00 0.32 H new ATOM 387 N LYS A 27 -5.026 -1.670 -6.941 1.00 0.30 N ATOM 388 CA LYS A 27 -5.309 -2.861 -7.721 1.00 0.27 C ATOM 389 C LYS A 27 -4.097 -3.756 -7.676 1.00 0.21 C ATOM 390 O LYS A 27 -3.074 -3.375 -7.122 1.00 0.26 O ATOM 391 CB LYS A 27 -5.616 -2.486 -9.175 1.00 0.42 C ATOM 392 CG LYS A 27 -6.188 -1.095 -9.334 1.00 0.61 C ATOM 393 CD LYS A 27 -6.392 -0.738 -10.782 1.00 0.83 C ATOM 394 CE LYS A 27 -6.997 0.647 -10.929 1.00 1.09 C ATOM 395 NZ LYS A 27 -6.087 1.718 -10.428 1.00 1.65 N ATOM 0 H LYS A 27 -4.070 -1.327 -7.031 1.00 0.30 H new ATOM 0 HA LYS A 27 -6.177 -3.373 -7.306 1.00 0.27 H new ATOM 0 HB2 LYS A 27 -4.701 -2.563 -9.762 1.00 0.42 H new ATOM 0 HB3 LYS A 27 -6.320 -3.209 -9.587 1.00 0.42 H new ATOM 0 HG2 LYS A 27 -7.139 -1.030 -8.806 1.00 0.61 H new ATOM 0 HG3 LYS A 27 -5.517 -0.371 -8.872 1.00 0.61 H new ATOM 0 HD2 LYS A 27 -5.437 -0.778 -11.306 1.00 0.83 H new ATOM 0 HD3 LYS A 27 -7.045 -1.474 -11.252 1.00 0.83 H new ATOM 0 HE2 LYS A 27 -7.228 0.831 -11.978 1.00 1.09 H new ATOM 0 HE3 LYS A 27 -7.940 0.689 -10.383 1.00 1.09 H new ATOM 0 HZ1 LYS A 27 -6.300 2.611 -10.916 1.00 1.65 H new ATOM 0 HZ2 LYS A 27 -6.226 1.841 -9.405 1.00 1.65 H new ATOM 0 HZ3 LYS A 27 -5.100 1.449 -10.614 1.00 1.65 H new ATOM 409 N LEU A 28 -4.189 -4.926 -8.264 1.00 0.19 N ATOM 410 CA LEU A 28 -3.029 -5.791 -8.306 1.00 0.16 C ATOM 411 C LEU A 28 -2.049 -5.250 -9.320 1.00 0.18 C ATOM 412 O LEU A 28 -2.451 -4.759 -10.377 1.00 0.21 O ATOM 413 CB LEU A 28 -3.357 -7.225 -8.684 1.00 0.15 C ATOM 414 CG LEU A 28 -2.456 -8.246 -7.993 1.00 0.16 C ATOM 415 CD1 LEU A 28 -3.102 -8.725 -6.709 1.00 0.23 C ATOM 416 CD2 LEU A 28 -2.124 -9.410 -8.907 1.00 0.15 C ATOM 0 H LEU A 28 -5.029 -5.295 -8.709 1.00 0.19 H new ATOM 0 HA LEU A 28 -2.613 -5.804 -7.299 1.00 0.16 H new ATOM 0 HB2 LEU A 28 -4.396 -7.434 -8.428 1.00 0.15 H new ATOM 0 HB3 LEU A 28 -3.265 -7.340 -9.764 1.00 0.15 H new ATOM 0 HG LEU A 28 -1.514 -7.756 -7.748 1.00 0.16 H new ATOM 0 HD11 LEU A 28 -2.452 -9.453 -6.224 1.00 0.23 H new ATOM 0 HD12 LEU A 28 -3.259 -7.877 -6.042 1.00 0.23 H new ATOM 0 HD13 LEU A 28 -4.061 -9.190 -6.936 1.00 0.23 H new ATOM 0 HD21 LEU A 28 -1.481 -10.115 -8.380 1.00 0.15 H new ATOM 0 HD22 LEU A 28 -3.044 -9.912 -9.206 1.00 0.15 H new ATOM 0 HD23 LEU A 28 -1.607 -9.041 -9.793 1.00 0.15 H new ATOM 428 N GLY A 29 -0.775 -5.336 -9.007 1.00 0.19 N ATOM 429 CA GLY A 29 0.222 -4.848 -9.920 1.00 0.21 C ATOM 430 C GLY A 29 0.355 -3.340 -9.859 1.00 0.19 C ATOM 431 O GLY A 29 1.058 -2.739 -10.672 1.00 0.24 O ATOM 0 H GLY A 29 -0.413 -5.734 -8.140 1.00 0.19 H new ATOM 0 HA2 GLY A 29 1.183 -5.307 -9.687 1.00 0.21 H new ATOM 0 HA3 GLY A 29 -0.037 -5.149 -10.935 1.00 0.21 H new ATOM 435 N ASP A 30 -0.330 -2.722 -8.898 1.00 0.19 N ATOM 436 CA ASP A 30 -0.256 -1.279 -8.723 1.00 0.16 C ATOM 437 C ASP A 30 0.945 -0.908 -7.868 1.00 0.13 C ATOM 438 O ASP A 30 1.315 -1.618 -6.931 1.00 0.16 O ATOM 439 CB ASP A 30 -1.570 -0.713 -8.148 1.00 0.21 C ATOM 440 CG ASP A 30 -1.402 0.281 -7.032 1.00 1.17 C ATOM 441 OD1 ASP A 30 -1.607 -0.121 -5.881 1.00 1.92 O ATOM 442 OD2 ASP A 30 -1.152 1.478 -7.316 1.00 1.48 O ATOM 0 H ASP A 30 -0.939 -3.199 -8.233 1.00 0.19 H new ATOM 0 HA ASP A 30 -0.120 -0.822 -9.703 1.00 0.16 H new ATOM 0 HB2 ASP A 30 -2.127 -0.238 -8.956 1.00 0.21 H new ATOM 0 HB3 ASP A 30 -2.177 -1.543 -7.786 1.00 0.21 H new ATOM 447 N PRO A 31 1.604 0.180 -8.254 1.00 0.12 N ATOM 448 CA PRO A 31 2.798 0.680 -7.587 1.00 0.12 C ATOM 449 C PRO A 31 2.501 1.435 -6.303 1.00 0.13 C ATOM 450 O PRO A 31 1.652 2.319 -6.266 1.00 0.22 O ATOM 451 CB PRO A 31 3.391 1.637 -8.613 1.00 0.19 C ATOM 452 CG PRO A 31 2.219 2.123 -9.398 1.00 0.19 C ATOM 453 CD PRO A 31 1.222 1.005 -9.406 1.00 0.18 C ATOM 0 HA PRO A 31 3.453 -0.138 -7.288 1.00 0.12 H new ATOM 0 HB2 PRO A 31 3.914 2.462 -8.129 1.00 0.19 H new ATOM 0 HB3 PRO A 31 4.115 1.133 -9.253 1.00 0.19 H new ATOM 0 HG2 PRO A 31 1.794 3.019 -8.946 1.00 0.19 H new ATOM 0 HG3 PRO A 31 2.514 2.387 -10.413 1.00 0.19 H new ATOM 0 HD2 PRO A 31 0.203 1.379 -9.309 1.00 0.18 H new ATOM 0 HD3 PRO A 31 1.266 0.437 -10.336 1.00 0.18 H new ATOM 461 N ILE A 32 3.228 1.089 -5.265 1.00 0.10 N ATOM 462 CA ILE A 32 3.166 1.800 -4.010 1.00 0.11 C ATOM 463 C ILE A 32 4.332 2.755 -3.923 1.00 0.11 C ATOM 464 O ILE A 32 5.463 2.387 -4.217 1.00 0.12 O ATOM 465 CB ILE A 32 3.210 0.837 -2.811 1.00 0.11 C ATOM 466 CG1 ILE A 32 1.934 0.003 -2.762 1.00 0.11 C ATOM 467 CG2 ILE A 32 3.405 1.597 -1.514 1.00 0.13 C ATOM 468 CD1 ILE A 32 0.688 0.811 -2.466 1.00 0.13 C ATOM 0 H ILE A 32 3.880 0.305 -5.268 1.00 0.10 H new ATOM 0 HA ILE A 32 2.222 2.344 -3.974 1.00 0.11 H new ATOM 0 HB ILE A 32 4.060 0.167 -2.936 1.00 0.11 H new ATOM 0 HG12 ILE A 32 1.807 -0.507 -3.717 1.00 0.11 H new ATOM 0 HG13 ILE A 32 2.045 -0.769 -2.001 1.00 0.11 H new ATOM 0 HG21 ILE A 32 3.433 0.894 -0.681 1.00 0.13 H new ATOM 0 HG22 ILE A 32 4.344 2.150 -1.554 1.00 0.13 H new ATOM 0 HG23 ILE A 32 2.579 2.294 -1.373 1.00 0.13 H new ATOM 0 HD11 ILE A 32 -0.178 0.150 -2.447 1.00 0.13 H new ATOM 0 HD12 ILE A 32 0.793 1.300 -1.497 1.00 0.13 H new ATOM 0 HD13 ILE A 32 0.552 1.566 -3.240 1.00 0.13 H new ATOM 480 N PHE A 33 4.053 3.972 -3.527 1.00 0.12 N ATOM 481 CA PHE A 33 5.071 5.001 -3.437 1.00 0.13 C ATOM 482 C PHE A 33 5.284 5.405 -1.986 1.00 0.12 C ATOM 483 O PHE A 33 4.382 5.277 -1.153 1.00 0.14 O ATOM 484 CB PHE A 33 4.673 6.216 -4.283 1.00 0.15 C ATOM 485 CG PHE A 33 4.573 5.923 -5.758 1.00 0.17 C ATOM 486 CD1 PHE A 33 5.589 6.300 -6.618 1.00 0.19 C ATOM 487 CD2 PHE A 33 3.466 5.274 -6.283 1.00 0.25 C ATOM 488 CE1 PHE A 33 5.508 6.035 -7.971 1.00 0.22 C ATOM 489 CE2 PHE A 33 3.381 5.005 -7.634 1.00 0.29 C ATOM 490 CZ PHE A 33 4.403 5.386 -8.479 1.00 0.25 C ATOM 0 H PHE A 33 3.119 4.281 -3.258 1.00 0.12 H new ATOM 0 HA PHE A 33 6.009 4.603 -3.825 1.00 0.13 H new ATOM 0 HB2 PHE A 33 3.713 6.593 -3.931 1.00 0.15 H new ATOM 0 HB3 PHE A 33 5.404 7.010 -4.128 1.00 0.15 H new ATOM 0 HD1 PHE A 33 6.457 6.809 -6.226 1.00 0.19 H new ATOM 0 HD2 PHE A 33 2.661 4.976 -5.627 1.00 0.25 H new ATOM 0 HE1 PHE A 33 6.309 6.336 -8.630 1.00 0.22 H new ATOM 0 HE2 PHE A 33 2.514 4.496 -8.030 1.00 0.29 H new ATOM 0 HZ PHE A 33 4.337 5.176 -9.536 1.00 0.25 H new ATOM 500 N PHE A 34 6.487 5.869 -1.684 1.00 0.11 N ATOM 501 CA PHE A 34 6.841 6.248 -0.323 1.00 0.11 C ATOM 502 C PHE A 34 6.068 7.491 0.089 1.00 0.11 C ATOM 503 O PHE A 34 6.291 8.576 -0.450 1.00 0.18 O ATOM 504 CB PHE A 34 8.347 6.517 -0.224 1.00 0.11 C ATOM 505 CG PHE A 34 8.965 6.109 1.088 1.00 0.12 C ATOM 506 CD1 PHE A 34 8.830 6.902 2.212 1.00 0.15 C ATOM 507 CD2 PHE A 34 9.699 4.935 1.187 1.00 0.14 C ATOM 508 CE1 PHE A 34 9.412 6.533 3.409 1.00 0.17 C ATOM 509 CE2 PHE A 34 10.279 4.560 2.374 1.00 0.16 C ATOM 510 CZ PHE A 34 10.139 5.359 3.491 1.00 0.16 C ATOM 0 H PHE A 34 7.237 5.993 -2.364 1.00 0.11 H new ATOM 0 HA PHE A 34 6.583 5.428 0.347 1.00 0.11 H new ATOM 0 HB2 PHE A 34 8.853 5.987 -1.031 1.00 0.11 H new ATOM 0 HB3 PHE A 34 8.525 7.581 -0.381 1.00 0.11 H new ATOM 0 HD1 PHE A 34 8.264 7.820 2.154 1.00 0.15 H new ATOM 0 HD2 PHE A 34 9.816 4.306 0.317 1.00 0.14 H new ATOM 0 HE1 PHE A 34 9.300 7.161 4.281 1.00 0.17 H new ATOM 0 HE2 PHE A 34 10.844 3.641 2.434 1.00 0.16 H new ATOM 0 HZ PHE A 34 10.595 5.069 4.426 1.00 0.16 H new ATOM 520 N GLY A 35 5.154 7.328 1.028 1.00 0.10 N ATOM 521 CA GLY A 35 4.389 8.454 1.503 1.00 0.12 C ATOM 522 C GLY A 35 2.914 8.356 1.180 1.00 0.10 C ATOM 523 O GLY A 35 2.167 9.304 1.420 1.00 0.17 O ATOM 0 H GLY A 35 4.929 6.436 1.469 1.00 0.10 H new ATOM 0 HA2 GLY A 35 4.512 8.538 2.583 1.00 0.12 H new ATOM 0 HA3 GLY A 35 4.790 9.368 1.064 1.00 0.12 H new ATOM 527 N GLU A 36 2.472 7.230 0.632 1.00 0.12 N ATOM 528 CA GLU A 36 1.059 7.086 0.312 1.00 0.11 C ATOM 529 C GLU A 36 0.302 6.472 1.480 1.00 0.11 C ATOM 530 O GLU A 36 0.755 5.520 2.109 1.00 0.16 O ATOM 531 CB GLU A 36 0.842 6.276 -0.966 1.00 0.14 C ATOM 532 CG GLU A 36 1.661 6.788 -2.121 1.00 0.17 C ATOM 533 CD GLU A 36 1.354 6.103 -3.431 1.00 0.28 C ATOM 534 OE1 GLU A 36 1.447 4.862 -3.504 1.00 0.28 O ATOM 535 OE2 GLU A 36 1.037 6.817 -4.406 1.00 0.52 O ATOM 0 H GLU A 36 3.054 6.424 0.405 1.00 0.12 H new ATOM 0 HA GLU A 36 0.663 8.085 0.131 1.00 0.11 H new ATOM 0 HB2 GLU A 36 1.097 5.233 -0.779 1.00 0.14 H new ATOM 0 HB3 GLU A 36 -0.214 6.303 -1.234 1.00 0.14 H new ATOM 0 HG2 GLU A 36 1.488 7.859 -2.231 1.00 0.17 H new ATOM 0 HG3 GLU A 36 2.719 6.658 -1.892 1.00 0.17 H new ATOM 542 N THR A 37 -0.838 7.055 1.770 1.00 0.11 N ATOM 543 CA THR A 37 -1.664 6.661 2.892 1.00 0.12 C ATOM 544 C THR A 37 -2.731 5.667 2.459 1.00 0.11 C ATOM 545 O THR A 37 -3.707 6.038 1.820 1.00 0.12 O ATOM 546 CB THR A 37 -2.344 7.896 3.499 1.00 0.13 C ATOM 547 OG1 THR A 37 -1.384 8.952 3.658 1.00 0.16 O ATOM 548 CG2 THR A 37 -2.952 7.559 4.841 1.00 0.14 C ATOM 0 H THR A 37 -1.225 7.827 1.227 1.00 0.11 H new ATOM 0 HA THR A 37 -1.022 6.188 3.635 1.00 0.12 H new ATOM 0 HB THR A 37 -3.136 8.222 2.825 1.00 0.13 H new ATOM 0 HG1 THR A 37 -1.824 9.738 4.044 1.00 0.16 H new ATOM 0 HG21 THR A 37 -3.430 8.446 5.257 1.00 0.14 H new ATOM 0 HG22 THR A 37 -3.695 6.771 4.716 1.00 0.14 H new ATOM 0 HG23 THR A 37 -2.170 7.216 5.519 1.00 0.14 H new ATOM 556 N VAL A 38 -2.554 4.411 2.816 1.00 0.12 N ATOM 557 CA VAL A 38 -3.463 3.371 2.363 1.00 0.12 C ATOM 558 C VAL A 38 -4.708 3.319 3.237 1.00 0.13 C ATOM 559 O VAL A 38 -4.623 3.284 4.464 1.00 0.16 O ATOM 560 CB VAL A 38 -2.798 1.983 2.337 1.00 0.15 C ATOM 561 CG1 VAL A 38 -3.637 1.015 1.515 1.00 0.15 C ATOM 562 CG2 VAL A 38 -1.386 2.073 1.787 1.00 0.16 C ATOM 0 H VAL A 38 -1.795 4.084 3.414 1.00 0.12 H new ATOM 0 HA VAL A 38 -3.744 3.630 1.342 1.00 0.12 H new ATOM 0 HB VAL A 38 -2.737 1.608 3.359 1.00 0.15 H new ATOM 0 HG11 VAL A 38 -3.157 0.036 1.504 1.00 0.15 H new ATOM 0 HG12 VAL A 38 -4.629 0.927 1.957 1.00 0.15 H new ATOM 0 HG13 VAL A 38 -3.726 1.387 0.494 1.00 0.15 H new ATOM 0 HG21 VAL A 38 -0.935 1.081 1.778 1.00 0.16 H new ATOM 0 HG22 VAL A 38 -1.416 2.468 0.771 1.00 0.16 H new ATOM 0 HG23 VAL A 38 -0.792 2.736 2.416 1.00 0.16 H new ATOM 572 N LEU A 39 -5.856 3.332 2.583 1.00 0.15 N ATOM 573 CA LEU A 39 -7.145 3.312 3.248 1.00 0.15 C ATOM 574 C LEU A 39 -7.898 2.047 2.868 1.00 0.17 C ATOM 575 O LEU A 39 -8.351 1.908 1.732 1.00 0.27 O ATOM 576 CB LEU A 39 -7.965 4.536 2.830 1.00 0.16 C ATOM 577 CG LEU A 39 -7.253 5.882 2.965 1.00 0.16 C ATOM 578 CD1 LEU A 39 -6.913 6.444 1.592 1.00 0.20 C ATOM 579 CD2 LEU A 39 -8.110 6.860 3.747 1.00 0.27 C ATOM 0 H LEU A 39 -5.919 3.357 1.565 1.00 0.15 H new ATOM 0 HA LEU A 39 -6.989 3.333 4.327 1.00 0.15 H new ATOM 0 HB2 LEU A 39 -8.271 4.409 1.792 1.00 0.16 H new ATOM 0 HB3 LEU A 39 -8.875 4.564 3.430 1.00 0.16 H new ATOM 0 HG LEU A 39 -6.323 5.728 3.512 1.00 0.16 H new ATOM 0 HD11 LEU A 39 -6.407 7.402 1.706 1.00 0.20 H new ATOM 0 HD12 LEU A 39 -6.259 5.749 1.066 1.00 0.20 H new ATOM 0 HD13 LEU A 39 -7.830 6.584 1.019 1.00 0.20 H new ATOM 0 HD21 LEU A 39 -7.588 7.813 3.834 1.00 0.27 H new ATOM 0 HD22 LEU A 39 -9.056 7.011 3.227 1.00 0.27 H new ATOM 0 HD23 LEU A 39 -8.302 6.460 4.743 1.00 0.27 H new ATOM 591 N THR A 40 -8.017 1.122 3.796 1.00 0.14 N ATOM 592 CA THR A 40 -8.749 -0.104 3.540 1.00 0.16 C ATOM 593 C THR A 40 -10.095 -0.059 4.243 1.00 0.18 C ATOM 594 O THR A 40 -10.265 0.648 5.238 1.00 0.22 O ATOM 595 CB THR A 40 -7.961 -1.344 4.000 1.00 0.20 C ATOM 596 OG1 THR A 40 -7.710 -1.282 5.405 1.00 0.23 O ATOM 597 CG2 THR A 40 -6.639 -1.449 3.256 1.00 0.22 C ATOM 0 H THR A 40 -7.618 1.193 4.732 1.00 0.14 H new ATOM 0 HA THR A 40 -8.899 -0.184 2.463 1.00 0.16 H new ATOM 0 HB THR A 40 -8.564 -2.225 3.779 1.00 0.20 H new ATOM 0 HG1 THR A 40 -7.135 -2.031 5.668 1.00 0.23 H new ATOM 0 HG21 THR A 40 -6.099 -2.332 3.597 1.00 0.22 H new ATOM 0 HG22 THR A 40 -6.829 -1.531 2.186 1.00 0.22 H new ATOM 0 HG23 THR A 40 -6.040 -0.560 3.451 1.00 0.22 H new ATOM 605 N GLY A 41 -11.052 -0.785 3.707 1.00 0.22 N ATOM 606 CA GLY A 41 -12.367 -0.841 4.300 1.00 0.27 C ATOM 607 C GLY A 41 -12.832 -2.262 4.504 1.00 0.43 C ATOM 608 O GLY A 41 -12.548 -3.133 3.678 1.00 0.90 O ATOM 0 H GLY A 41 -10.942 -1.344 2.861 1.00 0.22 H new ATOM 0 HA2 GLY A 41 -12.356 -0.322 5.258 1.00 0.27 H new ATOM 0 HA3 GLY A 41 -13.076 -0.315 3.661 1.00 0.27 H new ATOM 612 N GLY A 42 -13.521 -2.495 5.614 1.00 0.55 N ATOM 613 CA GLY A 42 -14.059 -3.808 5.917 1.00 0.61 C ATOM 614 C GLY A 42 -13.008 -4.898 5.908 1.00 0.85 C ATOM 615 O GLY A 42 -12.079 -4.884 6.718 1.00 1.79 O ATOM 0 H GLY A 42 -13.719 -1.786 6.320 1.00 0.55 H new ATOM 0 HA2 GLY A 42 -14.537 -3.781 6.896 1.00 0.61 H new ATOM 0 HA3 GLY A 42 -14.834 -4.053 5.191 1.00 0.61 H new ATOM 619 N SER A 43 -13.141 -5.831 4.979 1.00 0.67 N ATOM 620 CA SER A 43 -12.218 -6.948 4.873 1.00 0.80 C ATOM 621 C SER A 43 -11.123 -6.639 3.852 1.00 0.74 C ATOM 622 O SER A 43 -10.795 -7.462 2.995 1.00 1.24 O ATOM 623 CB SER A 43 -12.981 -8.220 4.485 1.00 1.08 C ATOM 624 OG SER A 43 -12.155 -9.371 4.581 1.00 1.64 O ATOM 0 H SER A 43 -13.886 -5.836 4.282 1.00 0.67 H new ATOM 0 HA SER A 43 -11.743 -7.109 5.841 1.00 0.80 H new ATOM 0 HB2 SER A 43 -13.848 -8.338 5.135 1.00 1.08 H new ATOM 0 HB3 SER A 43 -13.356 -8.124 3.466 1.00 1.08 H new ATOM 0 HG SER A 43 -11.372 -9.261 4.002 1.00 1.64 H new ATOM 630 N GLY A 44 -10.579 -5.435 3.940 1.00 0.41 N ATOM 631 CA GLY A 44 -9.463 -5.057 3.099 1.00 0.35 C ATOM 632 C GLY A 44 -8.199 -5.808 3.481 1.00 0.44 C ATOM 633 O GLY A 44 -7.919 -5.980 4.662 1.00 0.89 O ATOM 0 H GLY A 44 -10.893 -4.709 4.583 1.00 0.41 H new ATOM 0 HA2 GLY A 44 -9.707 -5.260 2.056 1.00 0.35 H new ATOM 0 HA3 GLY A 44 -9.290 -3.984 3.183 1.00 0.35 H new ATOM 637 N SER A 45 -7.467 -6.301 2.498 1.00 0.22 N ATOM 638 CA SER A 45 -6.173 -6.923 2.739 1.00 0.25 C ATOM 639 C SER A 45 -5.302 -6.781 1.504 1.00 0.27 C ATOM 640 O SER A 45 -5.764 -6.984 0.388 1.00 0.49 O ATOM 641 CB SER A 45 -6.327 -8.397 3.105 1.00 0.30 C ATOM 642 OG SER A 45 -7.112 -8.560 4.279 1.00 0.85 O ATOM 0 H SER A 45 -7.748 -6.283 1.518 1.00 0.22 H new ATOM 0 HA SER A 45 -5.700 -6.417 3.580 1.00 0.25 H new ATOM 0 HB2 SER A 45 -6.792 -8.932 2.277 1.00 0.30 H new ATOM 0 HB3 SER A 45 -5.343 -8.840 3.259 1.00 0.30 H new ATOM 0 HG SER A 45 -7.374 -7.680 4.622 1.00 0.85 H new ATOM 648 N VAL A 46 -4.051 -6.407 1.697 1.00 0.15 N ATOM 649 CA VAL A 46 -3.160 -6.139 0.573 1.00 0.13 C ATOM 650 C VAL A 46 -1.742 -6.600 0.878 1.00 0.14 C ATOM 651 O VAL A 46 -1.184 -6.264 1.920 1.00 0.25 O ATOM 652 CB VAL A 46 -3.105 -4.637 0.233 1.00 0.16 C ATOM 653 CG1 VAL A 46 -2.395 -4.403 -1.089 1.00 0.21 C ATOM 654 CG2 VAL A 46 -4.488 -4.009 0.223 1.00 0.21 C ATOM 0 H VAL A 46 -3.626 -6.281 2.616 1.00 0.15 H new ATOM 0 HA VAL A 46 -3.564 -6.691 -0.276 1.00 0.13 H new ATOM 0 HB VAL A 46 -2.531 -4.149 1.020 1.00 0.16 H new ATOM 0 HG11 VAL A 46 -2.370 -3.335 -1.305 1.00 0.21 H new ATOM 0 HG12 VAL A 46 -1.376 -4.784 -1.027 1.00 0.21 H new ATOM 0 HG13 VAL A 46 -2.929 -4.922 -1.885 1.00 0.21 H new ATOM 0 HG21 VAL A 46 -4.405 -2.950 -0.021 1.00 0.21 H new ATOM 0 HG22 VAL A 46 -5.108 -4.506 -0.523 1.00 0.21 H new ATOM 0 HG23 VAL A 46 -4.945 -4.120 1.206 1.00 0.21 H new ATOM 664 N THR A 47 -1.170 -7.358 -0.038 1.00 0.14 N ATOM 665 CA THR A 47 0.225 -7.736 0.033 1.00 0.14 C ATOM 666 C THR A 47 1.042 -6.834 -0.874 1.00 0.12 C ATOM 667 O THR A 47 0.987 -6.948 -2.104 1.00 0.12 O ATOM 668 CB THR A 47 0.446 -9.191 -0.398 1.00 0.16 C ATOM 669 OG1 THR A 47 -0.271 -10.081 0.469 1.00 0.19 O ATOM 670 CG2 THR A 47 1.926 -9.540 -0.396 1.00 0.17 C ATOM 0 H THR A 47 -1.661 -7.728 -0.852 1.00 0.14 H new ATOM 0 HA THR A 47 0.540 -7.632 1.071 1.00 0.14 H new ATOM 0 HB THR A 47 0.069 -9.304 -1.414 1.00 0.16 H new ATOM 0 HG1 THR A 47 -0.123 -11.006 0.182 1.00 0.19 H new ATOM 0 HG21 THR A 47 2.056 -10.577 -0.705 1.00 0.17 H new ATOM 0 HG22 THR A 47 2.455 -8.886 -1.089 1.00 0.17 H new ATOM 0 HG23 THR A 47 2.330 -9.408 0.608 1.00 0.17 H new ATOM 678 N ILE A 48 1.770 -5.924 -0.270 1.00 0.10 N ATOM 679 CA ILE A 48 2.646 -5.051 -1.013 1.00 0.10 C ATOM 680 C ILE A 48 4.052 -5.608 -1.014 1.00 0.10 C ATOM 681 O ILE A 48 4.738 -5.607 0.009 1.00 0.13 O ATOM 682 CB ILE A 48 2.640 -3.629 -0.438 1.00 0.11 C ATOM 683 CG1 ILE A 48 1.244 -3.042 -0.583 1.00 0.12 C ATOM 684 CG2 ILE A 48 3.672 -2.754 -1.144 1.00 0.13 C ATOM 685 CD1 ILE A 48 0.991 -1.854 0.307 1.00 0.15 C ATOM 0 H ILE A 48 1.772 -5.769 0.738 1.00 0.10 H new ATOM 0 HA ILE A 48 2.279 -4.998 -2.038 1.00 0.10 H new ATOM 0 HB ILE A 48 2.909 -3.665 0.618 1.00 0.11 H new ATOM 0 HG12 ILE A 48 1.090 -2.747 -1.621 1.00 0.12 H new ATOM 0 HG13 ILE A 48 0.509 -3.815 -0.359 1.00 0.12 H new ATOM 0 HG21 ILE A 48 3.649 -1.750 -0.719 1.00 0.13 H new ATOM 0 HG22 ILE A 48 4.665 -3.183 -1.010 1.00 0.13 H new ATOM 0 HG23 ILE A 48 3.439 -2.703 -2.208 1.00 0.13 H new ATOM 0 HD11 ILE A 48 -0.024 -1.490 0.148 1.00 0.15 H new ATOM 0 HD12 ILE A 48 1.112 -2.148 1.350 1.00 0.15 H new ATOM 0 HD13 ILE A 48 1.702 -1.063 0.068 1.00 0.15 H new ATOM 697 N ALA A 49 4.454 -6.114 -2.155 1.00 0.09 N ATOM 698 CA ALA A 49 5.798 -6.602 -2.323 1.00 0.10 C ATOM 699 C ALA A 49 6.715 -5.433 -2.636 1.00 0.09 C ATOM 700 O ALA A 49 6.693 -4.891 -3.744 1.00 0.11 O ATOM 701 CB ALA A 49 5.854 -7.644 -3.423 1.00 0.14 C ATOM 0 H ALA A 49 3.865 -6.198 -2.984 1.00 0.09 H new ATOM 0 HA ALA A 49 6.129 -7.079 -1.401 1.00 0.10 H new ATOM 0 HB1 ALA A 49 6.878 -8.001 -3.535 1.00 0.14 H new ATOM 0 HB2 ALA A 49 5.205 -8.481 -3.165 1.00 0.14 H new ATOM 0 HB3 ALA A 49 5.520 -7.201 -4.361 1.00 0.14 H new ATOM 707 N PHE A 50 7.497 -5.030 -1.653 1.00 0.09 N ATOM 708 CA PHE A 50 8.389 -3.897 -1.802 1.00 0.10 C ATOM 709 C PHE A 50 9.526 -4.230 -2.744 1.00 0.12 C ATOM 710 O PHE A 50 9.920 -5.388 -2.897 1.00 0.16 O ATOM 711 CB PHE A 50 8.920 -3.444 -0.445 1.00 0.11 C ATOM 712 CG PHE A 50 7.888 -2.720 0.367 1.00 0.13 C ATOM 713 CD1 PHE A 50 7.260 -3.355 1.426 1.00 0.27 C ATOM 714 CD2 PHE A 50 7.553 -1.408 0.086 1.00 0.22 C ATOM 715 CE1 PHE A 50 6.318 -2.698 2.186 1.00 0.32 C ATOM 716 CE2 PHE A 50 6.610 -0.747 0.844 1.00 0.28 C ATOM 717 CZ PHE A 50 5.968 -1.370 1.845 1.00 0.28 C ATOM 0 H PHE A 50 7.532 -5.475 -0.736 1.00 0.09 H new ATOM 0 HA PHE A 50 7.823 -3.072 -2.235 1.00 0.10 H new ATOM 0 HB2 PHE A 50 9.271 -4.313 0.112 1.00 0.11 H new ATOM 0 HB3 PHE A 50 9.781 -2.793 -0.595 1.00 0.11 H new ATOM 0 HD1 PHE A 50 7.513 -4.379 1.659 1.00 0.27 H new ATOM 0 HD2 PHE A 50 8.034 -0.897 -0.735 1.00 0.22 H new ATOM 0 HE1 PHE A 50 5.854 -3.189 3.029 1.00 0.32 H new ATOM 0 HE2 PHE A 50 6.384 0.287 0.629 1.00 0.28 H new ATOM 0 HZ PHE A 50 5.187 -0.859 2.388 1.00 0.28 H new ATOM 727 N VAL A 51 10.037 -3.194 -3.376 1.00 0.11 N ATOM 728 CA VAL A 51 10.982 -3.332 -4.462 1.00 0.14 C ATOM 729 C VAL A 51 12.360 -3.774 -3.955 1.00 0.16 C ATOM 730 O VAL A 51 13.225 -4.160 -4.739 1.00 0.25 O ATOM 731 CB VAL A 51 11.077 -2.002 -5.237 1.00 0.15 C ATOM 732 CG1 VAL A 51 11.862 -0.963 -4.459 1.00 0.16 C ATOM 733 CG2 VAL A 51 11.654 -2.213 -6.620 1.00 0.19 C ATOM 0 H VAL A 51 9.806 -2.227 -3.148 1.00 0.11 H new ATOM 0 HA VAL A 51 10.625 -4.111 -5.136 1.00 0.14 H new ATOM 0 HB VAL A 51 10.064 -1.619 -5.360 1.00 0.15 H new ATOM 0 HG11 VAL A 51 11.910 -0.038 -5.033 1.00 0.16 H new ATOM 0 HG12 VAL A 51 11.369 -0.773 -3.506 1.00 0.16 H new ATOM 0 HG13 VAL A 51 12.872 -1.330 -4.278 1.00 0.16 H new ATOM 0 HG21 VAL A 51 11.708 -1.257 -7.141 1.00 0.19 H new ATOM 0 HG22 VAL A 51 12.654 -2.638 -6.536 1.00 0.19 H new ATOM 0 HG23 VAL A 51 11.016 -2.896 -7.180 1.00 0.19 H new ATOM 743 N ASP A 52 12.546 -3.727 -2.640 1.00 0.17 N ATOM 744 CA ASP A 52 13.782 -4.198 -2.017 1.00 0.21 C ATOM 745 C ASP A 52 13.760 -5.715 -1.861 1.00 0.24 C ATOM 746 O ASP A 52 14.803 -6.360 -1.779 1.00 0.33 O ATOM 747 CB ASP A 52 13.961 -3.548 -0.641 1.00 0.28 C ATOM 748 CG ASP A 52 15.233 -3.983 0.060 1.00 0.56 C ATOM 749 OD1 ASP A 52 15.146 -4.746 1.044 1.00 0.75 O ATOM 750 OD2 ASP A 52 16.329 -3.578 -0.383 1.00 0.72 O ATOM 0 H ASP A 52 11.855 -3.367 -1.982 1.00 0.17 H new ATOM 0 HA ASP A 52 14.616 -3.919 -2.661 1.00 0.21 H new ATOM 0 HB2 ASP A 52 13.969 -2.464 -0.756 1.00 0.28 H new ATOM 0 HB3 ASP A 52 13.104 -3.796 -0.014 1.00 0.28 H new ATOM 755 N GLY A 53 12.564 -6.286 -1.863 1.00 0.21 N ATOM 756 CA GLY A 53 12.428 -7.716 -1.664 1.00 0.26 C ATOM 757 C GLY A 53 11.624 -8.047 -0.423 1.00 0.24 C ATOM 758 O GLY A 53 11.311 -9.210 -0.169 1.00 0.27 O ATOM 0 H GLY A 53 11.685 -5.786 -1.999 1.00 0.21 H new ATOM 0 HA2 GLY A 53 11.946 -8.158 -2.536 1.00 0.26 H new ATOM 0 HA3 GLY A 53 13.418 -8.166 -1.584 1.00 0.26 H new ATOM 762 N THR A 54 11.300 -7.027 0.357 1.00 0.22 N ATOM 763 CA THR A 54 10.472 -7.197 1.538 1.00 0.22 C ATOM 764 C THR A 54 8.994 -7.147 1.162 1.00 0.19 C ATOM 765 O THR A 54 8.624 -6.497 0.195 1.00 0.25 O ATOM 766 CB THR A 54 10.783 -6.107 2.582 1.00 0.26 C ATOM 767 OG1 THR A 54 10.854 -4.821 1.945 1.00 0.29 O ATOM 768 CG2 THR A 54 12.097 -6.396 3.284 1.00 0.36 C ATOM 0 H THR A 54 11.601 -6.067 0.190 1.00 0.22 H new ATOM 0 HA THR A 54 10.696 -8.171 1.972 1.00 0.22 H new ATOM 0 HB THR A 54 9.982 -6.104 3.321 1.00 0.26 H new ATOM 0 HG1 THR A 54 11.050 -4.134 2.616 1.00 0.29 H new ATOM 0 HG21 THR A 54 12.298 -5.614 4.017 1.00 0.36 H new ATOM 0 HG22 THR A 54 12.035 -7.360 3.789 1.00 0.36 H new ATOM 0 HG23 THR A 54 12.903 -6.422 2.551 1.00 0.36 H new ATOM 776 N ASP A 55 8.152 -7.847 1.907 1.00 0.21 N ATOM 777 CA ASP A 55 6.719 -7.849 1.612 1.00 0.19 C ATOM 778 C ASP A 55 5.932 -7.489 2.862 1.00 0.25 C ATOM 779 O ASP A 55 6.349 -7.807 3.980 1.00 0.44 O ATOM 780 CB ASP A 55 6.242 -9.215 1.093 1.00 0.24 C ATOM 781 CG ASP A 55 7.177 -9.854 0.082 1.00 0.80 C ATOM 782 OD1 ASP A 55 7.045 -9.555 -1.126 1.00 1.51 O ATOM 783 OD2 ASP A 55 8.071 -10.627 0.485 1.00 0.80 O ATOM 0 H ASP A 55 8.426 -8.414 2.709 1.00 0.21 H new ATOM 0 HA ASP A 55 6.547 -7.109 0.831 1.00 0.19 H new ATOM 0 HB2 ASP A 55 6.122 -9.892 1.939 1.00 0.24 H new ATOM 0 HB3 ASP A 55 5.259 -9.096 0.638 1.00 0.24 H new ATOM 788 N VAL A 56 4.804 -6.818 2.679 1.00 0.16 N ATOM 789 CA VAL A 56 3.947 -6.435 3.787 1.00 0.21 C ATOM 790 C VAL A 56 2.508 -6.832 3.541 1.00 0.22 C ATOM 791 O VAL A 56 2.140 -7.241 2.439 1.00 0.30 O ATOM 792 CB VAL A 56 3.984 -4.924 4.030 1.00 0.27 C ATOM 793 CG1 VAL A 56 5.290 -4.513 4.673 1.00 1.39 C ATOM 794 CG2 VAL A 56 3.710 -4.181 2.740 1.00 1.29 C ATOM 0 H VAL A 56 4.460 -6.526 1.764 1.00 0.16 H new ATOM 0 HA VAL A 56 4.331 -6.960 4.661 1.00 0.21 H new ATOM 0 HB VAL A 56 3.195 -4.655 4.732 1.00 0.27 H new ATOM 0 HG11 VAL A 56 5.292 -3.435 4.836 1.00 1.39 H new ATOM 0 HG12 VAL A 56 5.402 -5.024 5.629 1.00 1.39 H new ATOM 0 HG13 VAL A 56 6.119 -4.783 4.018 1.00 1.39 H new ATOM 0 HG21 VAL A 56 3.739 -3.107 2.925 1.00 1.29 H new ATOM 0 HG22 VAL A 56 4.468 -4.442 2.002 1.00 1.29 H new ATOM 0 HG23 VAL A 56 2.725 -4.458 2.363 1.00 1.29 H new ATOM 804 N VAL A 57 1.700 -6.681 4.573 1.00 0.17 N ATOM 805 CA VAL A 57 0.279 -6.968 4.479 1.00 0.20 C ATOM 806 C VAL A 57 -0.526 -5.885 5.197 1.00 0.21 C ATOM 807 O VAL A 57 -0.166 -5.449 6.290 1.00 0.30 O ATOM 808 CB VAL A 57 -0.060 -8.365 5.052 1.00 0.28 C ATOM 809 CG1 VAL A 57 0.261 -8.449 6.536 1.00 0.81 C ATOM 810 CG2 VAL A 57 -1.519 -8.714 4.792 1.00 0.78 C ATOM 0 H VAL A 57 2.005 -6.359 5.492 1.00 0.17 H new ATOM 0 HA VAL A 57 0.008 -6.972 3.423 1.00 0.20 H new ATOM 0 HB VAL A 57 0.564 -9.096 4.538 1.00 0.28 H new ATOM 0 HG11 VAL A 57 0.011 -9.443 6.907 1.00 0.81 H new ATOM 0 HG12 VAL A 57 1.324 -8.261 6.690 1.00 0.81 H new ATOM 0 HG13 VAL A 57 -0.321 -7.703 7.077 1.00 0.81 H new ATOM 0 HG21 VAL A 57 -1.736 -9.700 5.203 1.00 0.78 H new ATOM 0 HG22 VAL A 57 -2.161 -7.973 5.268 1.00 0.78 H new ATOM 0 HG23 VAL A 57 -1.706 -8.719 3.718 1.00 0.78 H new ATOM 820 N ILE A 58 -1.588 -5.420 4.558 1.00 0.18 N ATOM 821 CA ILE A 58 -2.438 -4.395 5.138 1.00 0.22 C ATOM 822 C ILE A 58 -3.765 -4.996 5.578 1.00 0.29 C ATOM 823 O ILE A 58 -4.357 -5.800 4.857 1.00 0.32 O ATOM 824 CB ILE A 58 -2.708 -3.255 4.138 1.00 0.22 C ATOM 825 CG1 ILE A 58 -1.393 -2.776 3.524 1.00 0.20 C ATOM 826 CG2 ILE A 58 -3.425 -2.100 4.830 1.00 0.29 C ATOM 827 CD1 ILE A 58 -1.554 -1.606 2.586 1.00 0.25 C ATOM 0 H ILE A 58 -1.882 -5.738 3.634 1.00 0.18 H new ATOM 0 HA ILE A 58 -1.913 -3.985 6.001 1.00 0.22 H new ATOM 0 HB ILE A 58 -3.351 -3.630 3.342 1.00 0.22 H new ATOM 0 HG12 ILE A 58 -0.708 -2.497 4.325 1.00 0.20 H new ATOM 0 HG13 ILE A 58 -0.932 -3.603 2.984 1.00 0.20 H new ATOM 0 HG21 ILE A 58 -3.609 -1.302 4.110 1.00 0.29 H new ATOM 0 HG22 ILE A 58 -4.375 -2.451 5.233 1.00 0.29 H new ATOM 0 HG23 ILE A 58 -2.804 -1.720 5.642 1.00 0.29 H new ATOM 0 HD11 ILE A 58 -0.580 -1.321 2.189 1.00 0.25 H new ATOM 0 HD12 ILE A 58 -2.213 -1.886 1.764 1.00 0.25 H new ATOM 0 HD13 ILE A 58 -1.986 -0.763 3.126 1.00 0.25 H new ATOM 839 N GLY A 59 -4.214 -4.613 6.766 1.00 0.35 N ATOM 840 CA GLY A 59 -5.476 -5.098 7.279 1.00 0.43 C ATOM 841 C GLY A 59 -6.656 -4.334 6.721 1.00 0.50 C ATOM 842 O GLY A 59 -6.498 -3.523 5.812 1.00 1.02 O ATOM 0 H GLY A 59 -3.721 -3.970 7.386 1.00 0.35 H new ATOM 0 HA2 GLY A 59 -5.582 -6.155 7.035 1.00 0.43 H new ATOM 0 HA3 GLY A 59 -5.477 -5.020 8.366 1.00 0.43 H new ATOM 846 N GLY A 60 -7.834 -4.565 7.285 1.00 0.35 N ATOM 847 CA GLY A 60 -9.046 -3.988 6.746 1.00 0.36 C ATOM 848 C GLY A 60 -9.608 -2.931 7.656 1.00 0.33 C ATOM 849 O GLY A 60 -9.383 -2.978 8.865 1.00 0.40 O ATOM 0 H GLY A 60 -7.970 -5.146 8.112 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -8.839 -3.554 5.768 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -9.788 -4.772 6.597 1.00 0.36 H new ATOM 853 N ASP A 61 -10.333 -1.976 7.078 1.00 0.28 N ATOM 854 CA ASP A 61 -10.803 -0.802 7.817 1.00 0.31 C ATOM 855 C ASP A 61 -9.610 -0.071 8.442 1.00 0.29 C ATOM 856 O ASP A 61 -9.740 0.682 9.404 1.00 0.43 O ATOM 857 CB ASP A 61 -11.828 -1.209 8.886 1.00 0.41 C ATOM 858 CG ASP A 61 -12.456 -0.024 9.599 1.00 0.87 C ATOM 859 OD1 ASP A 61 -12.138 0.203 10.787 1.00 0.96 O ATOM 860 OD2 ASP A 61 -13.270 0.690 8.976 1.00 1.26 O ATOM 0 H ASP A 61 -10.610 -1.991 6.096 1.00 0.28 H new ATOM 0 HA ASP A 61 -11.301 -0.122 7.126 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -12.615 -1.801 8.418 1.00 0.41 H new ATOM 0 HB3 ASP A 61 -11.341 -1.850 9.621 1.00 0.41 H new ATOM 865 N SER A 62 -8.434 -0.305 7.880 1.00 0.22 N ATOM 866 CA SER A 62 -7.212 0.263 8.415 1.00 0.26 C ATOM 867 C SER A 62 -6.700 1.398 7.539 1.00 0.22 C ATOM 868 O SER A 62 -7.042 1.497 6.358 1.00 0.23 O ATOM 869 CB SER A 62 -6.143 -0.818 8.530 1.00 0.32 C ATOM 870 OG SER A 62 -6.672 -1.993 9.123 1.00 1.19 O ATOM 0 H SER A 62 -8.303 -0.886 7.052 1.00 0.22 H new ATOM 0 HA SER A 62 -7.433 0.667 9.403 1.00 0.26 H new ATOM 0 HB2 SER A 62 -5.748 -1.051 7.541 1.00 0.32 H new ATOM 0 HB3 SER A 62 -5.309 -0.448 9.127 1.00 0.32 H new ATOM 0 HG SER A 62 -5.969 -2.673 9.185 1.00 1.19 H new ATOM 876 N ILE A 63 -5.879 2.244 8.131 1.00 0.20 N ATOM 877 CA ILE A 63 -5.272 3.362 7.429 1.00 0.19 C ATOM 878 C ILE A 63 -3.824 3.516 7.876 1.00 0.24 C ATOM 879 O ILE A 63 -3.553 3.715 9.058 1.00 0.38 O ATOM 880 CB ILE A 63 -6.036 4.686 7.680 1.00 0.19 C ATOM 881 CG1 ILE A 63 -7.458 4.596 7.122 1.00 0.19 C ATOM 882 CG2 ILE A 63 -5.297 5.862 7.057 1.00 0.24 C ATOM 883 CD1 ILE A 63 -8.312 5.806 7.424 1.00 0.25 C ATOM 0 H ILE A 63 -5.613 2.177 9.113 1.00 0.20 H new ATOM 0 HA ILE A 63 -5.317 3.150 6.361 1.00 0.19 H new ATOM 0 HB ILE A 63 -6.093 4.848 8.756 1.00 0.19 H new ATOM 0 HG12 ILE A 63 -7.406 4.461 6.042 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -7.943 3.710 7.531 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -5.851 6.781 7.246 1.00 0.24 H new ATOM 0 HG22 ILE A 63 -4.303 5.941 7.497 1.00 0.24 H new ATOM 0 HG23 ILE A 63 -5.207 5.707 5.982 1.00 0.24 H new ATOM 0 HD11 ILE A 63 -9.305 5.667 6.996 1.00 0.25 H new ATOM 0 HD12 ILE A 63 -8.397 5.931 8.503 1.00 0.25 H new ATOM 0 HD13 ILE A 63 -7.851 6.694 6.991 1.00 0.25 H new ATOM 895 N VAL A 64 -2.900 3.398 6.940 1.00 0.15 N ATOM 896 CA VAL A 64 -1.484 3.490 7.258 1.00 0.18 C ATOM 897 C VAL A 64 -0.718 4.149 6.116 1.00 0.15 C ATOM 898 O VAL A 64 -0.987 3.892 4.944 1.00 0.13 O ATOM 899 CB VAL A 64 -0.887 2.093 7.572 1.00 0.23 C ATOM 900 CG1 VAL A 64 -1.021 1.153 6.380 1.00 0.98 C ATOM 901 CG2 VAL A 64 0.566 2.206 8.014 1.00 1.00 C ATOM 0 H VAL A 64 -3.103 3.238 5.953 1.00 0.15 H new ATOM 0 HA VAL A 64 -1.383 4.109 8.149 1.00 0.18 H new ATOM 0 HB VAL A 64 -1.459 1.668 8.397 1.00 0.23 H new ATOM 0 HG11 VAL A 64 -0.593 0.183 6.632 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -2.075 1.031 6.129 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -0.491 1.572 5.525 1.00 0.98 H new ATOM 0 HG21 VAL A 64 0.960 1.212 8.228 1.00 1.00 H new ATOM 0 HG22 VAL A 64 1.153 2.666 7.219 1.00 1.00 H new ATOM 0 HG23 VAL A 64 0.626 2.821 8.912 1.00 1.00 H new ATOM 911 N GLU A 65 0.211 5.026 6.464 1.00 0.18 N ATOM 912 CA GLU A 65 1.020 5.712 5.473 1.00 0.16 C ATOM 913 C GLU A 65 2.301 4.932 5.218 1.00 0.13 C ATOM 914 O GLU A 65 2.989 4.529 6.157 1.00 0.15 O ATOM 915 CB GLU A 65 1.337 7.136 5.937 1.00 0.22 C ATOM 916 CG GLU A 65 2.017 7.990 4.880 1.00 0.33 C ATOM 917 CD GLU A 65 2.291 9.400 5.361 1.00 0.38 C ATOM 918 OE1 GLU A 65 3.384 9.641 5.916 1.00 0.67 O ATOM 919 OE2 GLU A 65 1.415 10.274 5.190 1.00 0.45 O ATOM 0 H GLU A 65 0.423 5.279 7.429 1.00 0.18 H new ATOM 0 HA GLU A 65 0.459 5.775 4.540 1.00 0.16 H new ATOM 0 HB2 GLU A 65 0.411 7.623 6.243 1.00 0.22 H new ATOM 0 HB3 GLU A 65 1.977 7.087 6.818 1.00 0.22 H new ATOM 0 HG2 GLU A 65 2.956 7.521 4.587 1.00 0.33 H new ATOM 0 HG3 GLU A 65 1.389 8.029 3.990 1.00 0.33 H new ATOM 926 N MET A 66 2.599 4.704 3.943 1.00 0.12 N ATOM 927 CA MET A 66 3.788 3.955 3.545 1.00 0.14 C ATOM 928 C MET A 66 5.052 4.726 3.904 1.00 0.13 C ATOM 929 O MET A 66 5.562 5.511 3.105 1.00 0.17 O ATOM 930 CB MET A 66 3.769 3.664 2.039 1.00 0.19 C ATOM 931 CG MET A 66 2.462 3.068 1.546 1.00 0.30 C ATOM 932 SD MET A 66 1.848 1.738 2.597 1.00 0.88 S ATOM 933 CE MET A 66 2.951 0.411 2.147 1.00 0.31 C ATOM 0 H MET A 66 2.029 5.029 3.162 1.00 0.12 H new ATOM 0 HA MET A 66 3.784 3.009 4.086 1.00 0.14 H new ATOM 0 HB2 MET A 66 3.963 4.590 1.497 1.00 0.19 H new ATOM 0 HB3 MET A 66 4.583 2.979 1.801 1.00 0.19 H new ATOM 0 HG2 MET A 66 1.710 3.855 1.490 1.00 0.30 H new ATOM 0 HG3 MET A 66 2.602 2.688 0.534 1.00 0.30 H new ATOM 0 HE1 MET A 66 2.960 -0.339 2.938 1.00 0.31 H new ATOM 0 HE2 MET A 66 2.610 -0.046 1.218 1.00 0.31 H new ATOM 0 HE3 MET A 66 3.958 0.806 2.009 1.00 0.31 H new ATOM 943 N THR A 67 5.546 4.493 5.107 1.00 0.13 N ATOM 944 CA THR A 67 6.695 5.211 5.621 1.00 0.14 C ATOM 945 C THR A 67 7.880 4.279 5.847 1.00 0.15 C ATOM 946 O THR A 67 7.891 3.148 5.362 1.00 0.16 O ATOM 947 CB THR A 67 6.335 5.907 6.943 1.00 0.19 C ATOM 948 OG1 THR A 67 5.641 4.985 7.796 1.00 0.29 O ATOM 949 CG2 THR A 67 5.475 7.136 6.692 1.00 0.29 C ATOM 0 H THR A 67 5.162 3.803 5.752 1.00 0.13 H new ATOM 0 HA THR A 67 6.979 5.955 4.877 1.00 0.14 H new ATOM 0 HB THR A 67 7.255 6.231 7.429 1.00 0.19 H new ATOM 0 HG1 THR A 67 4.729 4.854 7.462 1.00 0.29 H new ATOM 0 HG21 THR A 67 5.233 7.611 7.643 1.00 0.29 H new ATOM 0 HG22 THR A 67 6.020 7.839 6.063 1.00 0.29 H new ATOM 0 HG23 THR A 67 4.554 6.839 6.190 1.00 0.29 H new ATOM 957 N ASP A 68 8.870 4.760 6.587 1.00 0.18 N ATOM 958 CA ASP A 68 10.085 3.993 6.853 1.00 0.23 C ATOM 959 C ASP A 68 9.778 2.750 7.678 1.00 0.25 C ATOM 960 O ASP A 68 10.331 1.678 7.437 1.00 0.34 O ATOM 961 CB ASP A 68 11.104 4.863 7.584 1.00 0.32 C ATOM 962 CG ASP A 68 12.425 4.156 7.795 1.00 1.10 C ATOM 963 OD1 ASP A 68 13.228 4.076 6.843 1.00 2.13 O ATOM 964 OD2 ASP A 68 12.665 3.669 8.918 1.00 0.96 O ATOM 0 H ASP A 68 8.857 5.685 7.018 1.00 0.18 H new ATOM 0 HA ASP A 68 10.502 3.675 5.897 1.00 0.23 H new ATOM 0 HB2 ASP A 68 11.272 5.777 7.014 1.00 0.32 H new ATOM 0 HB3 ASP A 68 10.696 5.160 8.550 1.00 0.32 H new ATOM 969 N GLU A 69 8.876 2.900 8.641 1.00 0.29 N ATOM 970 CA GLU A 69 8.465 1.799 9.494 1.00 0.39 C ATOM 971 C GLU A 69 7.764 0.728 8.665 1.00 0.35 C ATOM 972 O GLU A 69 7.789 -0.462 8.985 1.00 0.49 O ATOM 973 CB GLU A 69 7.540 2.339 10.584 1.00 0.49 C ATOM 974 CG GLU A 69 7.067 1.284 11.559 1.00 0.96 C ATOM 975 CD GLU A 69 8.195 0.708 12.391 1.00 1.71 C ATOM 976 OE1 GLU A 69 8.625 1.363 13.358 1.00 2.51 O ATOM 977 OE2 GLU A 69 8.665 -0.404 12.073 1.00 1.93 O ATOM 0 H GLU A 69 8.413 3.785 8.849 1.00 0.29 H new ATOM 0 HA GLU A 69 9.338 1.342 9.960 1.00 0.39 H new ATOM 0 HB2 GLU A 69 8.061 3.122 11.135 1.00 0.49 H new ATOM 0 HB3 GLU A 69 6.672 2.802 10.115 1.00 0.49 H new ATOM 0 HG2 GLU A 69 6.317 1.717 12.221 1.00 0.96 H new ATOM 0 HG3 GLU A 69 6.579 0.479 11.009 1.00 0.96 H new ATOM 984 N ILE A 70 7.144 1.178 7.595 1.00 0.21 N ATOM 985 CA ILE A 70 6.477 0.308 6.649 1.00 0.18 C ATOM 986 C ILE A 70 7.479 -0.378 5.730 1.00 0.18 C ATOM 987 O ILE A 70 7.416 -1.587 5.505 1.00 0.24 O ATOM 988 CB ILE A 70 5.466 1.125 5.818 1.00 0.16 C ATOM 989 CG1 ILE A 70 4.108 1.166 6.517 1.00 0.18 C ATOM 990 CG2 ILE A 70 5.329 0.579 4.415 1.00 0.25 C ATOM 991 CD1 ILE A 70 3.224 -0.033 6.225 1.00 0.23 C ATOM 0 H ILE A 70 7.088 2.168 7.355 1.00 0.21 H new ATOM 0 HA ILE A 70 5.949 -0.466 7.206 1.00 0.18 H new ATOM 0 HB ILE A 70 5.848 2.143 5.738 1.00 0.16 H new ATOM 0 HG12 ILE A 70 4.267 1.233 7.593 1.00 0.18 H new ATOM 0 HG13 ILE A 70 3.583 2.073 6.215 1.00 0.18 H new ATOM 0 HG21 ILE A 70 4.609 1.180 3.860 1.00 0.25 H new ATOM 0 HG22 ILE A 70 6.296 0.617 3.914 1.00 0.25 H new ATOM 0 HG23 ILE A 70 4.983 -0.454 4.459 1.00 0.25 H new ATOM 0 HD11 ILE A 70 2.279 0.073 6.758 1.00 0.23 H new ATOM 0 HD12 ILE A 70 3.031 -0.091 5.154 1.00 0.23 H new ATOM 0 HD13 ILE A 70 3.726 -0.943 6.553 1.00 0.23 H new ATOM 1003 N TYR A 71 8.403 0.402 5.212 1.00 0.16 N ATOM 1004 CA TYR A 71 9.346 -0.090 4.227 1.00 0.17 C ATOM 1005 C TYR A 71 10.750 -0.168 4.818 1.00 0.27 C ATOM 1006 O TYR A 71 11.583 0.712 4.601 1.00 0.31 O ATOM 1007 CB TYR A 71 9.319 0.812 2.985 1.00 0.15 C ATOM 1008 CG TYR A 71 10.113 0.288 1.812 1.00 0.13 C ATOM 1009 CD1 TYR A 71 10.614 -0.998 1.829 1.00 0.15 C ATOM 1010 CD2 TYR A 71 10.359 1.071 0.691 1.00 0.13 C ATOM 1011 CE1 TYR A 71 11.334 -1.498 0.768 1.00 0.17 C ATOM 1012 CE2 TYR A 71 11.081 0.580 -0.373 1.00 0.14 C ATOM 1013 CZ TYR A 71 11.578 -0.636 -0.351 1.00 0.15 C ATOM 1014 OH TYR A 71 12.285 -1.201 -1.384 1.00 0.21 O ATOM 0 H TYR A 71 8.523 1.385 5.457 1.00 0.16 H new ATOM 0 HA TYR A 71 9.056 -1.098 3.930 1.00 0.17 H new ATOM 0 HB2 TYR A 71 8.283 0.949 2.674 1.00 0.15 H new ATOM 0 HB3 TYR A 71 9.703 1.795 3.257 1.00 0.15 H new ATOM 0 HD1 TYR A 71 10.438 -1.624 2.691 1.00 0.15 H new ATOM 0 HD2 TYR A 71 9.978 2.081 0.654 1.00 0.13 H new ATOM 0 HE1 TYR A 71 11.705 -2.512 0.778 1.00 0.17 H new ATOM 0 HE2 TYR A 71 11.242 1.204 -1.240 1.00 0.14 H new ATOM 0 HH TYR A 71 12.922 -0.547 -1.741 1.00 0.21 H new ATOM 1024 N ASN A 72 10.996 -1.221 5.580 1.00 0.40 N ATOM 1025 CA ASN A 72 12.323 -1.487 6.110 1.00 0.53 C ATOM 1026 C ASN A 72 13.176 -2.175 5.045 1.00 0.46 C ATOM 1027 O ASN A 72 12.965 -3.347 4.727 1.00 0.61 O ATOM 1028 CB ASN A 72 12.217 -2.366 7.359 1.00 0.79 C ATOM 1029 CG ASN A 72 13.515 -2.462 8.138 1.00 0.96 C ATOM 1030 OD1 ASN A 72 14.611 -2.387 7.581 1.00 1.34 O ATOM 1031 ND2 ASN A 72 13.395 -2.625 9.443 1.00 1.46 N ATOM 0 H ASN A 72 10.291 -1.908 5.846 1.00 0.40 H new ATOM 0 HA ASN A 72 12.798 -0.545 6.385 1.00 0.53 H new ATOM 0 HB2 ASN A 72 11.439 -1.967 8.010 1.00 0.79 H new ATOM 0 HB3 ASN A 72 11.903 -3.367 7.064 1.00 0.79 H new ATOM 0 HD21 ASN A 72 14.228 -2.693 10.027 1.00 1.46 H new ATOM 0 HD22 ASN A 72 12.469 -2.683 9.867 1.00 1.46 H new ATOM 1038 N THR A 73 14.123 -1.439 4.482 1.00 0.40 N ATOM 1039 CA THR A 73 14.965 -1.957 3.412 1.00 0.42 C ATOM 1040 C THR A 73 16.121 -2.787 3.963 1.00 0.58 C ATOM 1041 O THR A 73 16.745 -2.410 4.958 1.00 0.69 O ATOM 1042 CB THR A 73 15.534 -0.810 2.551 1.00 0.51 C ATOM 1043 OG1 THR A 73 16.200 0.150 3.385 1.00 0.66 O ATOM 1044 CG2 THR A 73 14.433 -0.117 1.765 1.00 0.43 C ATOM 0 H THR A 73 14.329 -0.476 4.750 1.00 0.40 H new ATOM 0 HA THR A 73 14.334 -2.596 2.794 1.00 0.42 H new ATOM 0 HB THR A 73 16.246 -1.241 1.847 1.00 0.51 H new ATOM 0 HG1 THR A 73 16.559 0.873 2.829 1.00 0.66 H new ATOM 0 HG21 THR A 73 14.863 0.687 1.167 1.00 0.43 H new ATOM 0 HG22 THR A 73 13.947 -0.838 1.108 1.00 0.43 H new ATOM 0 HG23 THR A 73 13.699 0.297 2.456 1.00 0.43 H new ATOM 1052 N GLY A 74 16.400 -3.912 3.316 1.00 0.69 N ATOM 1053 CA GLY A 74 17.530 -4.729 3.704 1.00 0.90 C ATOM 1054 C GLY A 74 17.127 -6.031 4.365 1.00 1.46 C ATOM 1055 O GLY A 74 16.833 -6.064 5.565 1.00 1.91 O ATOM 0 H GLY A 74 15.862 -4.272 2.528 1.00 0.69 H new ATOM 0 HA2 GLY A 74 18.131 -4.948 2.822 1.00 0.90 H new ATOM 0 HA3 GLY A 74 18.162 -4.162 4.388 1.00 0.90 H new ATOM 1059 N ASP A 75 17.103 -7.104 3.585 1.00 2.07 N ATOM 1060 CA ASP A 75 16.860 -8.438 4.125 1.00 3.16 C ATOM 1061 C ASP A 75 18.147 -9.030 4.669 1.00 3.74 C ATOM 1062 O ASP A 75 19.237 -8.503 4.434 1.00 4.38 O ATOM 1063 CB ASP A 75 16.286 -9.381 3.061 1.00 3.92 C ATOM 1064 CG ASP A 75 14.797 -9.208 2.851 1.00 4.89 C ATOM 1065 OD1 ASP A 75 14.403 -8.666 1.797 1.00 5.30 O ATOM 1066 OD2 ASP A 75 14.019 -9.582 3.754 1.00 5.57 O ATOM 0 H ASP A 75 17.249 -7.078 2.576 1.00 2.07 H new ATOM 0 HA ASP A 75 16.131 -8.334 4.928 1.00 3.16 H new ATOM 0 HB2 ASP A 75 16.802 -9.209 2.116 1.00 3.92 H new ATOM 0 HB3 ASP A 75 16.488 -10.412 3.352 1.00 3.92 H new ATOM 1071 N ASN A 76 18.017 -10.122 5.401 1.00 4.05 N ATOM 1072 CA ASN A 76 19.156 -10.814 5.951 1.00 5.07 C ATOM 1073 C ASN A 76 19.422 -12.090 5.161 1.00 5.95 C ATOM 1074 O ASN A 76 18.799 -13.129 5.472 1.00 6.53 O ATOM 1075 CB ASN A 76 18.921 -11.139 7.427 1.00 5.51 C ATOM 1076 CG ASN A 76 20.171 -11.652 8.113 1.00 6.35 C ATOM 1077 OD1 ASN A 76 20.921 -10.887 8.723 1.00 6.87 O ATOM 1078 ND2 ASN A 76 20.415 -12.941 7.998 1.00 6.80 N ATOM 0 H ASN A 76 17.119 -10.549 5.627 1.00 4.05 H new ATOM 0 HA ASN A 76 20.030 -10.167 5.877 1.00 5.07 H new ATOM 0 HB2 ASN A 76 18.569 -10.245 7.941 1.00 5.51 H new ATOM 0 HB3 ASN A 76 18.132 -11.886 7.510 1.00 5.51 H new ATOM 0 HD21 ASN A 76 21.251 -13.342 8.423 1.00 6.80 H new ATOM 0 HD22 ASN A 76 19.768 -13.539 7.484 1.00 6.80 H new TER 1085 ASN A 76