USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 146:sc= 0.733 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.56 USER MOD Single : A 1 MET CE :methyl -120:sc= 0 (180deg=-0.425) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.18 (180deg=0.929) USER MOD Single : A 2 GLN : amide:sc=-0.00698 X(o=-0.007,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0392 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 25 ASN : amide:sc= 0.41 K(o=0.41,f=-0.72) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00413 X(o=-0.0041,f=-0.47) USER MOD Single : A 41 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.566 USER MOD Single : A 60 ASN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 110:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.639 3.876 -6.747 1.00 9.67 N ATOM 2 CA MET A 1 -11.068 4.560 -5.507 1.00 10.38 C ATOM 3 C MET A 1 -9.894 5.237 -4.887 1.00 9.62 C ATOM 4 O MET A 1 -8.749 4.926 -5.213 1.00 9.62 O ATOM 5 CB MET A 1 -11.656 3.504 -4.556 1.00 13.77 C ATOM 6 CG MET A 1 -10.721 2.351 -4.184 1.00 16.29 C ATOM 7 SD MET A 1 -11.571 1.147 -3.120 1.00 17.17 S ATOM 8 CE MET A 1 -10.128 0.188 -2.578 1.00 16.11 C ATOM 0 H1 MET A 1 -11.408 3.266 -7.091 1.00 9.67 H new ATOM 0 H2 MET A 1 -10.408 4.585 -7.472 1.00 9.67 H new ATOM 0 H3 MET A 1 -9.799 3.296 -6.550 1.00 9.67 H new ATOM 0 HA MET A 1 -11.824 5.315 -5.721 1.00 10.38 H new ATOM 0 HB2 MET A 1 -11.970 4.003 -3.639 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.552 3.087 -5.015 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.368 1.857 -5.089 1.00 16.29 H new ATOM 0 HG3 MET A 1 -9.843 2.741 -3.670 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.245 -0.851 -2.885 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.226 0.601 -3.030 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.045 0.238 -1.492 1.00 16.11 H new ATOM 20 N GLN A 2 -10.157 6.174 -3.958 1.00 9.27 N ATOM 21 CA GLN A 2 -9.164 6.695 -3.071 1.00 9.07 C ATOM 22 C GLN A 2 -9.125 5.862 -1.836 1.00 8.72 C ATOM 23 O GLN A 2 -10.130 5.763 -1.133 1.00 8.22 O ATOM 24 CB GLN A 2 -9.335 8.189 -2.748 1.00 14.46 C ATOM 25 CG GLN A 2 -8.970 9.069 -3.945 1.00 17.01 C ATOM 26 CD GLN A 2 -9.347 10.534 -3.774 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.585 11.496 -3.862 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.677 10.777 -3.627 1.00 19.49 N ATOM 0 H GLN A 2 -11.083 6.579 -3.820 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.205 6.636 -3.586 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.367 8.383 -2.454 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.707 8.452 -1.897 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -7.897 8.999 -4.121 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.465 8.679 -4.834 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.332 9.999 -3.552 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.019 11.737 -3.592 1.00 19.49 H new ATOM 37 N ILE A 3 -8.005 5.228 -1.447 1.00 5.87 N ATOM 38 CA ILE A 3 -7.715 4.811 -0.110 1.00 5.07 C ATOM 39 C ILE A 3 -6.507 5.549 0.354 1.00 4.01 C ATOM 40 O ILE A 3 -5.823 6.288 -0.353 1.00 4.61 O ATOM 41 CB ILE A 3 -7.469 3.332 -0.063 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.454 2.865 -1.120 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.844 2.649 -0.140 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.029 2.907 -0.570 1.00 10.83 C ATOM 0 H ILE A 3 -7.260 4.993 -2.103 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.562 5.029 0.540 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.985 3.043 0.870 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.695 1.850 -1.437 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -6.525 3.500 -2.003 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -8.715 1.567 -0.109 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -9.456 2.966 0.705 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.338 2.929 -1.071 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.332 2.572 -1.338 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.782 3.927 -0.277 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.955 2.252 0.298 1.00 10.83 H new ATOM 56 N PHE A 4 -6.235 5.475 1.669 1.00 4.55 N ATOM 57 CA PHE A 4 -5.156 6.197 2.268 1.00 4.68 C ATOM 58 C PHE A 4 -4.052 5.362 2.818 1.00 5.30 C ATOM 59 O PHE A 4 -4.297 4.432 3.586 1.00 5.58 O ATOM 60 CB PHE A 4 -5.475 7.136 3.444 1.00 4.83 C ATOM 61 CG PHE A 4 -6.749 7.810 3.070 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.667 8.871 2.200 1.00 6.69 C ATOM 63 CD2 PHE A 4 -8.019 7.455 3.461 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.776 9.562 1.771 1.00 9.10 C ATOM 65 CE2 PHE A 4 -9.149 8.161 3.121 1.00 10.61 C ATOM 66 CZ PHE A 4 -9.023 9.191 2.219 1.00 8.90 C ATOM 0 H PHE A 4 -6.771 4.907 2.325 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.881 6.764 1.378 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.583 6.579 4.375 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.676 7.861 3.597 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.695 9.173 1.840 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -8.135 6.571 4.070 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.669 10.391 1.087 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -10.109 7.913 3.550 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.902 9.708 1.863 1.00 8.90 H new ATOM 76 N VAL A 5 -2.780 5.703 2.545 1.00 4.44 N ATOM 77 CA VAL A 5 -1.663 5.014 3.113 1.00 3.87 C ATOM 78 C VAL A 5 -0.922 5.900 4.054 1.00 4.93 C ATOM 79 O VAL A 5 -0.220 6.845 3.697 1.00 6.84 O ATOM 80 CB VAL A 5 -0.721 4.429 2.102 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.349 3.509 2.715 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.621 3.854 0.994 1.00 9.13 C ATOM 0 H VAL A 5 -2.523 6.468 1.921 1.00 4.44 H new ATOM 0 HA VAL A 5 -2.087 4.168 3.654 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.061 5.171 1.653 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.993 3.123 1.925 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.949 4.074 3.429 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.136 2.677 3.226 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.001 3.408 0.217 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.277 3.093 1.416 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.224 4.654 0.563 1.00 9.13 H new ATOM 92 N LYS A 6 -0.879 5.501 5.338 1.00 6.04 N ATOM 93 CA LYS A 6 -0.145 6.241 6.317 1.00 6.12 C ATOM 94 C LYS A 6 1.209 5.653 6.518 1.00 6.57 C ATOM 95 O LYS A 6 1.194 4.424 6.479 1.00 5.76 O ATOM 96 CB LYS A 6 -0.800 6.272 7.708 1.00 7.45 C ATOM 97 CG LYS A 6 -1.943 7.286 7.789 1.00 11.12 C ATOM 98 CD LYS A 6 -2.375 7.393 9.252 1.00 14.54 C ATOM 99 CE LYS A 6 -3.058 8.689 9.696 1.00 18.84 C ATOM 100 NZ LYS A 6 -4.436 8.560 9.172 1.00 20.55 N ATOM 0 H LYS A 6 -1.350 4.670 5.697 1.00 6.04 H new ATOM 0 HA LYS A 6 -0.111 7.253 5.914 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.180 5.280 7.950 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.046 6.517 8.457 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.618 8.257 7.415 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.780 6.968 7.167 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.053 6.566 9.463 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.492 7.248 9.875 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.051 8.793 10.781 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.555 9.566 9.288 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -4.985 9.406 9.427 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -4.406 8.466 8.137 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -4.886 7.718 9.583 1.00 20.55 H new ATOM 114 N THR A 7 2.253 6.403 6.912 1.00 7.41 N ATOM 115 CA THR A 7 3.441 5.879 7.512 1.00 7.48 C ATOM 116 C THR A 7 3.325 5.693 8.986 1.00 8.75 C ATOM 117 O THR A 7 2.260 5.953 9.544 1.00 8.58 O ATOM 118 CB THR A 7 4.696 6.656 7.247 1.00 9.61 C ATOM 119 OG1 THR A 7 4.511 7.939 7.827 1.00 11.78 O ATOM 120 CG2 THR A 7 4.890 6.734 5.723 1.00 9.17 C ATOM 0 H THR A 7 2.270 7.418 6.808 1.00 7.41 H new ATOM 0 HA THR A 7 3.532 4.914 7.013 1.00 7.48 H new ATOM 0 HB THR A 7 5.586 6.195 7.676 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.368 8.271 8.166 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.798 7.295 5.500 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.977 5.727 5.315 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.034 7.235 5.272 1.00 9.17 H new ATOM 128 N LEU A 8 4.397 5.282 9.686 1.00 9.84 N ATOM 129 CA LEU A 8 4.470 5.279 11.114 1.00 14.15 C ATOM 130 C LEU A 8 4.916 6.578 11.691 1.00 17.37 C ATOM 131 O LEU A 8 4.683 6.794 12.879 1.00 17.01 O ATOM 132 CB LEU A 8 5.240 4.118 11.767 1.00 16.63 C ATOM 133 CG LEU A 8 4.861 2.709 11.278 1.00 18.88 C ATOM 134 CD1 LEU A 8 5.687 1.653 12.032 1.00 18.59 C ATOM 135 CD2 LEU A 8 3.358 2.453 11.476 1.00 19.31 C ATOM 0 H LEU A 8 5.247 4.938 9.239 1.00 9.84 H new ATOM 0 HA LEU A 8 3.425 5.112 11.375 1.00 14.15 H new ATOM 0 HB2 LEU A 8 6.305 4.269 11.593 1.00 16.63 H new ATOM 0 HB3 LEU A 8 5.084 4.163 12.845 1.00 16.63 H new ATOM 0 HG LEU A 8 5.082 2.638 10.213 1.00 18.88 H new ATOM 0 HD11 LEU A 8 5.413 0.658 11.681 1.00 18.59 H new ATOM 0 HD12 LEU A 8 6.748 1.823 11.850 1.00 18.59 H new ATOM 0 HD13 LEU A 8 5.486 1.729 13.101 1.00 18.59 H new ATOM 0 HD21 LEU A 8 3.110 1.452 11.124 1.00 19.31 H new ATOM 0 HD22 LEU A 8 3.111 2.537 12.534 1.00 19.31 H new ATOM 0 HD23 LEU A 8 2.786 3.188 10.910 1.00 19.31 H new ATOM 147 N THR A 9 5.538 7.452 10.879 1.00 18.33 N ATOM 148 CA THR A 9 5.976 8.777 11.195 1.00 19.24 C ATOM 149 C THR A 9 4.869 9.775 11.203 1.00 19.48 C ATOM 150 O THR A 9 4.476 10.340 12.222 1.00 23.14 O ATOM 151 CB THR A 9 7.027 9.441 10.356 1.00 18.97 C ATOM 152 OG1 THR A 9 6.863 9.274 8.955 1.00 20.24 O ATOM 153 CG2 THR A 9 8.349 8.706 10.633 1.00 19.70 C ATOM 0 H THR A 9 5.753 7.207 9.913 1.00 18.33 H new ATOM 0 HA THR A 9 6.412 8.544 12.166 1.00 19.24 H new ATOM 0 HB THR A 9 6.983 10.501 10.608 1.00 18.97 H new ATOM 0 HG1 THR A 9 7.586 9.737 8.483 1.00 20.24 H new ATOM 0 HG21 THR A 9 9.146 9.156 10.042 1.00 19.70 H new ATOM 0 HG22 THR A 9 8.594 8.784 11.692 1.00 19.70 H new ATOM 0 HG23 THR A 9 8.245 7.655 10.362 1.00 19.70 H new ATOM 161 N GLY A 10 4.253 10.151 10.068 1.00 19.43 N ATOM 162 CA GLY A 10 3.244 11.156 10.200 1.00 18.74 C ATOM 163 C GLY A 10 2.846 11.692 8.868 1.00 17.62 C ATOM 164 O GLY A 10 2.669 12.894 8.679 1.00 19.74 O ATOM 0 H GLY A 10 4.432 9.794 9.129 1.00 19.43 H new ATOM 0 HA2 GLY A 10 2.372 10.737 10.703 1.00 18.74 H new ATOM 0 HA3 GLY A 10 3.614 11.968 10.827 1.00 18.74 H new ATOM 168 N LYS A 11 2.983 10.839 7.837 1.00 13.56 N ATOM 169 CA LYS A 11 2.623 11.207 6.503 1.00 11.91 C ATOM 170 C LYS A 11 1.394 10.489 6.062 1.00 10.18 C ATOM 171 O LYS A 11 1.297 9.272 6.214 1.00 9.10 O ATOM 172 CB LYS A 11 3.794 10.748 5.617 1.00 13.43 C ATOM 173 CG LYS A 11 3.545 11.228 4.185 1.00 16.69 C ATOM 174 CD LYS A 11 4.662 10.844 3.212 1.00 17.92 C ATOM 175 CE LYS A 11 5.952 11.657 3.341 1.00 20.81 C ATOM 176 NZ LYS A 11 7.016 10.976 2.569 1.00 21.93 N ATOM 0 H LYS A 11 3.345 9.890 7.928 1.00 13.56 H new ATOM 0 HA LYS A 11 2.429 12.278 6.440 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.733 11.153 5.993 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.883 9.662 5.641 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.603 10.811 3.828 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.432 12.312 4.188 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.900 9.790 3.357 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.286 10.949 2.194 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.801 12.669 2.966 1.00 20.81 H new ATOM 0 HE3 LYS A 11 6.241 11.745 4.388 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 7.901 11.517 2.646 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.161 10.018 2.948 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.734 10.914 1.570 1.00 21.93 H new ATOM 190 N THR A 12 0.347 11.120 5.501 1.00 9.63 N ATOM 191 CA THR A 12 -0.797 10.468 4.943 1.00 9.85 C ATOM 192 C THR A 12 -0.768 10.663 3.466 1.00 11.66 C ATOM 193 O THR A 12 -0.872 11.811 3.037 1.00 12.33 O ATOM 194 CB THR A 12 -2.142 10.931 5.418 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.220 10.846 6.833 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.199 9.882 5.032 1.00 9.63 C ATOM 0 H THR A 12 0.296 12.136 5.433 1.00 9.63 H new ATOM 0 HA THR A 12 -0.707 9.433 5.272 1.00 9.85 H new ATOM 0 HB THR A 12 -2.289 11.931 5.010 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.102 11.153 7.131 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.180 10.211 5.374 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.214 9.762 3.949 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.953 8.929 5.499 1.00 9.63 H new ATOM 204 N ILE A 13 -0.634 9.608 2.643 1.00 10.42 N ATOM 205 CA ILE A 13 -0.798 9.845 1.242 1.00 11.84 C ATOM 206 C ILE A 13 -2.123 9.309 0.823 1.00 10.55 C ATOM 207 O ILE A 13 -2.697 8.409 1.434 1.00 11.92 O ATOM 208 CB ILE A 13 0.299 9.265 0.399 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.229 7.746 0.162 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.569 9.837 1.050 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.488 7.183 -0.495 1.00 16.46 C ATOM 0 H ILE A 13 -0.426 8.649 2.921 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.746 10.922 1.081 1.00 11.84 H new ATOM 0 HB ILE A 13 0.237 9.553 -0.650 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.068 7.243 1.115 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.633 7.522 -0.467 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.447 9.478 0.513 1.00 17.08 H new ATOM 0 HG22 ILE A 13 1.540 10.926 1.010 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.622 9.513 2.089 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.376 6.108 -0.635 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.638 7.661 -1.463 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.350 7.378 0.143 1.00 16.46 H new ATOM 223 N THR A 14 -2.656 9.874 -0.276 1.00 9.39 N ATOM 224 CA THR A 14 -3.927 9.598 -0.868 1.00 9.63 C ATOM 225 C THR A 14 -3.585 8.943 -2.162 1.00 11.20 C ATOM 226 O THR A 14 -2.806 9.425 -2.983 1.00 11.63 O ATOM 227 CB THR A 14 -4.737 10.832 -1.132 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.946 11.528 0.088 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.164 10.523 -1.615 1.00 11.66 C ATOM 0 H THR A 14 -2.148 10.590 -0.796 1.00 9.39 H new ATOM 0 HA THR A 14 -4.538 8.989 -0.202 1.00 9.63 H new ATOM 0 HB THR A 14 -4.179 11.389 -1.885 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.474 12.336 -0.083 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.699 11.456 -1.789 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.119 9.953 -2.543 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.687 9.941 -0.856 1.00 11.66 H new ATOM 237 N LEU A 15 -4.230 7.805 -2.475 1.00 8.29 N ATOM 238 CA LEU A 15 -3.672 7.018 -3.531 1.00 9.03 C ATOM 239 C LEU A 15 -4.779 6.382 -4.301 1.00 8.59 C ATOM 240 O LEU A 15 -5.696 5.787 -3.738 1.00 7.79 O ATOM 241 CB LEU A 15 -2.830 5.888 -2.916 1.00 11.08 C ATOM 242 CG LEU A 15 -1.752 5.295 -3.839 1.00 15.79 C ATOM 243 CD1 LEU A 15 -0.586 6.292 -3.948 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.494 3.936 -3.165 1.00 15.88 C ATOM 0 H LEU A 15 -5.077 7.447 -2.034 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.065 7.653 -4.176 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -2.346 6.267 -2.016 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.500 5.086 -2.605 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.996 5.132 -4.889 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.184 5.881 -4.601 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -0.949 7.232 -4.363 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -0.166 6.470 -2.958 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.733 3.391 -3.724 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.149 4.096 -2.144 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.417 3.356 -3.149 1.00 15.88 H new ATOM 256 N GLU A 16 -4.835 6.557 -5.633 1.00 11.04 N ATOM 257 CA GLU A 16 -5.928 6.119 -6.445 1.00 11.50 C ATOM 258 C GLU A 16 -5.654 4.776 -7.030 1.00 10.13 C ATOM 259 O GLU A 16 -4.966 4.611 -8.036 1.00 9.83 O ATOM 260 CB GLU A 16 -6.351 7.149 -7.506 1.00 17.22 C ATOM 261 CG GLU A 16 -6.816 8.512 -6.987 1.00 23.33 C ATOM 262 CD GLU A 16 -7.252 9.350 -8.180 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.309 9.057 -8.801 1.00 28.90 O ATOM 264 OE2 GLU A 16 -6.556 10.373 -8.415 1.00 28.86 O ATOM 0 H GLU A 16 -4.095 7.018 -6.163 1.00 11.04 H new ATOM 0 HA GLU A 16 -6.790 6.023 -5.785 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -5.510 7.310 -8.180 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.157 6.717 -8.099 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -7.641 8.390 -6.286 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -6.010 9.009 -6.447 1.00 23.33 H new ATOM 271 N VAL A 17 -6.295 3.750 -6.443 1.00 8.99 N ATOM 272 CA VAL A 17 -6.212 2.397 -6.900 1.00 8.85 C ATOM 273 C VAL A 17 -7.571 1.795 -6.996 1.00 8.04 C ATOM 274 O VAL A 17 -8.471 2.134 -6.230 1.00 8.99 O ATOM 275 CB VAL A 17 -5.363 1.466 -6.086 1.00 9.78 C ATOM 276 CG1 VAL A 17 -3.882 1.825 -6.289 1.00 12.05 C ATOM 277 CG2 VAL A 17 -5.560 1.760 -4.590 1.00 10.54 C ATOM 0 H VAL A 17 -6.891 3.865 -5.623 1.00 8.99 H new ATOM 0 HA VAL A 17 -5.721 2.493 -7.868 1.00 8.85 H new ATOM 0 HB VAL A 17 -5.625 0.449 -6.376 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -3.260 1.151 -5.699 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -3.625 1.726 -7.344 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -3.709 2.852 -5.968 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -4.942 1.082 -4.001 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -5.270 2.790 -4.380 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -6.608 1.617 -4.326 1.00 10.54 H new ATOM 287 N GLU A 18 -7.729 0.769 -7.851 1.00 7.29 N ATOM 288 CA GLU A 18 -8.980 0.091 -7.995 1.00 7.08 C ATOM 289 C GLU A 18 -9.099 -0.984 -6.970 1.00 6.45 C ATOM 290 O GLU A 18 -8.070 -1.573 -6.642 1.00 5.28 O ATOM 291 CB GLU A 18 -9.092 -0.563 -9.383 1.00 10.28 C ATOM 292 CG GLU A 18 -9.289 0.350 -10.594 1.00 12.65 C ATOM 293 CD GLU A 18 -10.733 0.832 -10.606 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.595 -0.044 -10.884 1.00 18.17 O ATOM 295 OE2 GLU A 18 -11.114 1.999 -10.322 1.00 14.33 O ATOM 0 H GLU A 18 -6.984 0.407 -8.447 1.00 7.29 H new ATOM 0 HA GLU A 18 -9.772 0.829 -7.870 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -8.188 -1.148 -9.550 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -9.926 -1.265 -9.355 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -8.607 1.199 -10.543 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -9.061 -0.187 -11.515 1.00 12.65 H new ATOM 302 N PRO A 19 -10.234 -1.317 -6.432 1.00 7.24 N ATOM 303 CA PRO A 19 -10.267 -2.403 -5.496 1.00 7.07 C ATOM 304 C PRO A 19 -9.892 -3.761 -5.980 1.00 6.65 C ATOM 305 O PRO A 19 -9.682 -4.710 -5.227 1.00 6.37 O ATOM 306 CB PRO A 19 -11.744 -2.365 -5.111 1.00 7.61 C ATOM 307 CG PRO A 19 -12.454 -1.945 -6.408 1.00 8.16 C ATOM 308 CD PRO A 19 -11.530 -0.793 -6.836 1.00 7.49 C ATOM 0 HA PRO A 19 -9.520 -2.263 -4.714 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.091 -3.338 -4.763 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.929 -1.654 -4.306 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -12.492 -2.748 -7.144 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.480 -1.619 -6.238 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -11.581 -0.599 -7.907 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -11.774 0.141 -6.330 1.00 7.49 H new ATOM 316 N SER A 20 -9.770 -3.883 -7.314 1.00 6.80 N ATOM 317 CA SER A 20 -9.349 -5.024 -8.066 1.00 6.28 C ATOM 318 C SER A 20 -7.884 -5.090 -8.332 1.00 8.45 C ATOM 319 O SER A 20 -7.345 -6.128 -8.711 1.00 7.26 O ATOM 320 CB SER A 20 -10.019 -4.950 -9.448 1.00 8.57 C ATOM 321 OG SER A 20 -9.877 -3.696 -10.099 1.00 11.13 O ATOM 0 H SER A 20 -9.990 -3.098 -7.927 1.00 6.80 H new ATOM 0 HA SER A 20 -9.623 -5.893 -7.468 1.00 6.28 H new ATOM 0 HB2 SER A 20 -9.597 -5.727 -10.085 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.081 -5.170 -9.337 1.00 8.57 H new ATOM 0 HG SER A 20 -10.326 -3.727 -10.970 1.00 11.13 H new ATOM 327 N ASP A 21 -7.147 -4.022 -7.979 1.00 7.50 N ATOM 328 CA ASP A 21 -5.724 -4.009 -8.119 1.00 7.70 C ATOM 329 C ASP A 21 -5.097 -4.942 -7.141 1.00 7.08 C ATOM 330 O ASP A 21 -5.616 -5.146 -6.044 1.00 8.11 O ATOM 331 CB ASP A 21 -5.213 -2.569 -7.941 1.00 11.00 C ATOM 332 CG ASP A 21 -5.237 -1.762 -9.231 1.00 15.32 C ATOM 333 OD1 ASP A 21 -4.964 -2.435 -10.261 1.00 18.03 O ATOM 334 OD2 ASP A 21 -5.409 -0.519 -9.122 1.00 14.36 O ATOM 0 H ASP A 21 -7.539 -3.163 -7.594 1.00 7.50 H new ATOM 0 HA ASP A 21 -5.447 -4.353 -9.115 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -5.823 -2.064 -7.192 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -4.194 -2.597 -7.556 1.00 11.00 H new ATOM 339 N THR A 22 -3.945 -5.522 -7.519 1.00 5.37 N ATOM 340 CA THR A 22 -3.190 -6.372 -6.650 1.00 6.01 C ATOM 341 C THR A 22 -2.384 -5.559 -5.696 1.00 8.01 C ATOM 342 O THR A 22 -2.212 -4.374 -5.978 1.00 8.11 O ATOM 343 CB THR A 22 -2.286 -7.340 -7.353 1.00 8.92 C ATOM 344 OG1 THR A 22 -1.311 -6.753 -8.201 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.112 -8.215 -8.311 1.00 9.65 C ATOM 0 H THR A 22 -3.530 -5.400 -8.443 1.00 5.37 H new ATOM 0 HA THR A 22 -3.935 -6.969 -6.123 1.00 6.01 H new ATOM 0 HB THR A 22 -1.795 -7.872 -6.538 1.00 8.92 H new ATOM 0 HG1 THR A 22 -0.769 -7.458 -8.613 1.00 10.22 H new ATOM 0 HG21 THR A 22 -2.453 -8.918 -8.821 1.00 9.65 H new ATOM 0 HG22 THR A 22 -3.862 -8.767 -7.744 1.00 9.65 H new ATOM 0 HG23 THR A 22 -3.607 -7.582 -9.047 1.00 9.65 H new ATOM 353 N ILE A 23 -1.762 -6.166 -4.670 1.00 8.32 N ATOM 354 CA ILE A 23 -0.927 -5.553 -3.684 1.00 9.92 C ATOM 355 C ILE A 23 0.384 -5.159 -4.273 1.00 10.01 C ATOM 356 O ILE A 23 0.911 -4.057 -4.127 1.00 8.71 O ATOM 357 CB ILE A 23 -0.768 -6.357 -2.427 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.130 -6.706 -1.806 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.064 -5.513 -1.447 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.003 -5.487 -1.510 1.00 12.30 C ATOM 0 H ILE A 23 -1.852 -7.171 -4.519 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.446 -4.649 -3.365 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.271 -7.301 -2.651 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.668 -7.371 -2.482 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.966 -7.257 -0.880 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.202 -6.065 -0.517 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.037 -5.297 -1.888 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.456 -4.578 -1.240 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.947 -5.813 -1.074 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.487 -4.831 -0.809 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.199 -4.946 -2.436 1.00 12.30 H new ATOM 372 N GLU A 24 0.785 -5.928 -5.301 1.00 9.54 N ATOM 373 CA GLU A 24 1.805 -5.583 -6.242 1.00 11.81 C ATOM 374 C GLU A 24 1.512 -4.331 -6.994 1.00 11.14 C ATOM 375 O GLU A 24 2.422 -3.513 -7.115 1.00 10.62 O ATOM 376 CB GLU A 24 2.190 -6.648 -7.283 1.00 19.24 C ATOM 377 CG GLU A 24 2.613 -7.982 -6.665 1.00 27.76 C ATOM 378 CD GLU A 24 3.537 -8.757 -7.594 1.00 32.92 C ATOM 379 OE1 GLU A 24 3.126 -9.095 -8.736 1.00 34.80 O ATOM 380 OE2 GLU A 24 4.692 -9.043 -7.178 1.00 36.51 O ATOM 0 H GLU A 24 0.373 -6.843 -5.485 1.00 9.54 H new ATOM 0 HA GLU A 24 2.654 -5.463 -5.569 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.343 -6.817 -7.948 1.00 19.24 H new ATOM 0 HB3 GLU A 24 3.006 -6.266 -7.897 1.00 19.24 H new ATOM 0 HG2 GLU A 24 3.117 -7.801 -5.716 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.728 -8.580 -6.447 1.00 27.76 H new ATOM 387 N ASN A 25 0.313 -4.102 -7.560 1.00 9.43 N ATOM 388 CA ASN A 25 -0.104 -2.857 -8.126 1.00 10.96 C ATOM 389 C ASN A 25 -0.178 -1.719 -7.168 1.00 9.68 C ATOM 390 O ASN A 25 0.218 -0.620 -7.554 1.00 9.33 O ATOM 391 CB ASN A 25 -1.474 -2.990 -8.812 1.00 16.78 C ATOM 392 CG ASN A 25 -1.472 -3.938 -10.002 1.00 22.31 C ATOM 393 OD1 ASN A 25 -0.428 -4.353 -10.503 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.673 -4.248 -10.559 1.00 24.70 N ATOM 0 H ASN A 25 -0.403 -4.825 -7.626 1.00 9.43 H new ATOM 0 HA ASN A 25 0.682 -2.623 -8.844 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.204 -3.339 -8.082 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -1.802 -2.005 -9.144 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.712 -4.828 -11.397 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.535 -3.901 -10.139 1.00 24.70 H new ATOM 401 N VAL A 26 -0.656 -1.880 -5.921 1.00 6.52 N ATOM 402 CA VAL A 26 -0.568 -0.846 -4.937 1.00 5.53 C ATOM 403 C VAL A 26 0.829 -0.385 -4.701 1.00 4.42 C ATOM 404 O VAL A 26 1.090 0.817 -4.662 1.00 3.40 O ATOM 405 CB VAL A 26 -1.270 -1.283 -3.686 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.206 -0.254 -2.544 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.765 -1.384 -4.032 1.00 8.12 C ATOM 0 H VAL A 26 -1.107 -2.734 -5.592 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.079 0.038 -5.319 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.793 -2.207 -3.359 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.736 -0.642 -1.674 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.165 -0.067 -2.281 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.672 0.677 -2.867 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.322 -1.700 -3.150 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.129 -0.411 -4.361 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.905 -2.113 -4.830 1.00 8.12 H new ATOM 417 N LYS A 27 1.818 -1.260 -4.445 1.00 2.64 N ATOM 418 CA LYS A 27 3.175 -0.933 -4.135 1.00 4.14 C ATOM 419 C LYS A 27 3.908 -0.345 -5.291 1.00 5.58 C ATOM 420 O LYS A 27 4.732 0.544 -5.077 1.00 4.11 O ATOM 421 CB LYS A 27 3.974 -2.168 -3.685 1.00 3.97 C ATOM 422 CG LYS A 27 3.539 -2.787 -2.355 1.00 7.45 C ATOM 423 CD LYS A 27 4.306 -3.946 -1.714 1.00 9.02 C ATOM 424 CE LYS A 27 4.231 -5.142 -2.665 1.00 12.90 C ATOM 425 NZ LYS A 27 4.366 -6.430 -1.949 1.00 15.47 N ATOM 0 H LYS A 27 1.656 -2.267 -4.456 1.00 2.64 H new ATOM 0 HA LYS A 27 3.103 -0.201 -3.330 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.900 -2.929 -4.461 1.00 3.97 H new ATOM 0 HB3 LYS A 27 5.026 -1.891 -3.610 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.519 -1.979 -1.623 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.511 -3.124 -2.486 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.344 -3.665 -1.536 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.874 -4.200 -0.746 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.281 -5.122 -3.198 1.00 12.90 H new ATOM 0 HE3 LYS A 27 5.019 -5.059 -3.414 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.093 -7.209 -2.582 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.353 -6.558 -1.648 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.747 -6.429 -1.114 1.00 15.47 H new ATOM 439 N ALA A 28 3.531 -0.738 -6.521 1.00 6.61 N ATOM 440 CA ALA A 28 4.015 -0.215 -7.760 1.00 7.74 C ATOM 441 C ALA A 28 3.641 1.222 -7.883 1.00 9.17 C ATOM 442 O ALA A 28 4.344 2.026 -8.492 1.00 11.45 O ATOM 443 CB ALA A 28 3.344 -0.971 -8.919 1.00 7.68 C ATOM 0 H ALA A 28 2.838 -1.474 -6.657 1.00 6.61 H new ATOM 0 HA ALA A 28 5.099 -0.328 -7.792 1.00 7.74 H new ATOM 0 HB1 ALA A 28 3.708 -0.578 -9.869 1.00 7.68 H new ATOM 0 HB2 ALA A 28 3.585 -2.032 -8.849 1.00 7.68 H new ATOM 0 HB3 ALA A 28 2.263 -0.840 -8.862 1.00 7.68 H new ATOM 449 N LYS A 29 2.456 1.553 -7.338 1.00 8.96 N ATOM 450 CA LYS A 29 1.874 2.857 -7.407 1.00 7.90 C ATOM 451 C LYS A 29 2.488 3.741 -6.377 1.00 6.92 C ATOM 452 O LYS A 29 2.699 4.940 -6.557 1.00 6.87 O ATOM 453 CB LYS A 29 0.352 2.842 -7.188 1.00 10.28 C ATOM 454 CG LYS A 29 -0.379 4.153 -7.484 1.00 14.94 C ATOM 455 CD LYS A 29 -0.535 4.634 -8.928 1.00 19.69 C ATOM 456 CE LYS A 29 -1.429 3.739 -9.790 1.00 22.63 C ATOM 457 NZ LYS A 29 -1.755 4.258 -11.137 1.00 24.98 N ATOM 0 H LYS A 29 1.880 0.883 -6.828 1.00 8.96 H new ATOM 0 HA LYS A 29 2.068 3.231 -8.412 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.078 2.060 -7.814 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.156 2.565 -6.152 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.380 4.068 -7.061 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.134 4.941 -6.934 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -0.947 5.643 -8.921 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.451 4.696 -9.388 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -0.941 2.771 -9.903 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -2.362 3.565 -9.253 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -2.363 3.576 -11.634 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -2.254 5.166 -11.048 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -0.877 4.397 -11.677 1.00 24.98 H new ATOM 471 N ILE A 30 2.766 3.262 -5.151 1.00 4.57 N ATOM 472 CA ILE A 30 3.662 3.925 -4.255 1.00 5.58 C ATOM 473 C ILE A 30 5.020 4.150 -4.825 1.00 7.26 C ATOM 474 O ILE A 30 5.540 5.243 -4.608 1.00 9.46 O ATOM 475 CB ILE A 30 3.574 3.201 -2.944 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.133 3.145 -2.410 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.532 3.846 -1.928 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.917 1.933 -1.506 1.00 2.00 C ATOM 0 H ILE A 30 2.363 2.403 -4.776 1.00 4.57 H new ATOM 0 HA ILE A 30 3.368 4.960 -4.079 1.00 5.58 H new ATOM 0 HB ILE A 30 3.879 2.167 -3.104 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.914 4.057 -1.855 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.435 3.105 -3.246 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.464 3.317 -0.978 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.554 3.788 -2.304 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.258 4.891 -1.782 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.888 1.926 -1.147 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.111 1.020 -2.069 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.597 1.987 -0.656 1.00 2.00 H new ATOM 490 N GLN A 31 5.613 3.215 -5.589 1.00 7.06 N ATOM 491 CA GLN A 31 6.776 3.328 -6.414 1.00 8.67 C ATOM 492 C GLN A 31 6.554 4.433 -7.388 1.00 10.90 C ATOM 493 O GLN A 31 7.529 5.155 -7.593 1.00 9.63 O ATOM 494 CB GLN A 31 7.386 2.036 -6.984 1.00 9.12 C ATOM 495 CG GLN A 31 8.716 2.280 -7.699 1.00 10.76 C ATOM 496 CD GLN A 31 9.546 1.083 -8.139 1.00 13.78 C ATOM 497 OE1 GLN A 31 10.699 1.002 -7.718 1.00 14.48 O ATOM 498 NE2 GLN A 31 9.109 0.318 -9.176 1.00 14.76 N ATOM 0 H GLN A 31 5.229 2.271 -5.631 1.00 7.06 H new ATOM 0 HA GLN A 31 7.606 3.588 -5.757 1.00 8.67 H new ATOM 0 HB2 GLN A 31 7.538 1.322 -6.174 1.00 9.12 H new ATOM 0 HB3 GLN A 31 6.681 1.582 -7.680 1.00 9.12 H new ATOM 0 HG2 GLN A 31 8.508 2.880 -8.585 1.00 10.76 H new ATOM 0 HG3 GLN A 31 9.337 2.887 -7.041 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.147 0.406 -9.505 1.00 14.76 H new ATOM 0 HE22 GLN A 31 9.743 -0.343 -9.625 1.00 14.76 H new ATOM 507 N ASP A 32 5.450 4.489 -8.154 1.00 10.93 N ATOM 508 CA ASP A 32 5.310 5.382 -9.261 1.00 14.01 C ATOM 509 C ASP A 32 5.195 6.804 -8.830 1.00 14.04 C ATOM 510 O ASP A 32 5.779 7.639 -9.518 1.00 13.39 O ATOM 511 CB ASP A 32 4.150 4.860 -10.125 1.00 18.01 C ATOM 512 CG ASP A 32 4.217 5.434 -11.533 1.00 24.33 C ATOM 513 OD1 ASP A 32 5.224 5.122 -12.224 1.00 26.29 O ATOM 514 OD2 ASP A 32 3.229 6.092 -11.954 1.00 25.17 O ATOM 0 H ASP A 32 4.633 3.898 -7.999 1.00 10.93 H new ATOM 0 HA ASP A 32 6.210 5.394 -9.876 1.00 14.01 H new ATOM 0 HB2 ASP A 32 4.187 3.772 -10.170 1.00 18.01 H new ATOM 0 HB3 ASP A 32 3.199 5.128 -9.664 1.00 18.01 H new ATOM 519 N LYS A 33 4.477 6.980 -7.706 1.00 14.22 N ATOM 520 CA LYS A 33 4.210 8.261 -7.130 1.00 14.00 C ATOM 521 C LYS A 33 5.272 8.840 -6.259 1.00 12.37 C ATOM 522 O LYS A 33 5.908 9.838 -6.595 1.00 12.17 O ATOM 523 CB LYS A 33 2.848 8.247 -6.417 1.00 18.62 C ATOM 524 CG LYS A 33 2.327 9.583 -5.883 1.00 24.00 C ATOM 525 CD LYS A 33 0.910 9.485 -5.313 1.00 27.61 C ATOM 526 CE LYS A 33 0.566 10.750 -4.525 1.00 27.64 C ATOM 527 NZ LYS A 33 0.382 11.913 -5.422 1.00 30.06 N ATOM 0 H LYS A 33 4.069 6.206 -7.182 1.00 14.22 H new ATOM 0 HA LYS A 33 4.192 8.942 -7.981 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.107 7.848 -7.110 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.911 7.550 -5.581 1.00 18.62 H new ATOM 0 HG2 LYS A 33 3.001 9.946 -5.107 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.340 10.319 -6.686 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.194 9.347 -6.123 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.831 8.612 -4.665 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.345 10.585 -3.949 1.00 27.64 H new ATOM 0 HE3 LYS A 33 1.361 10.962 -3.810 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.150 12.754 -4.856 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 1.260 12.084 -5.953 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.393 11.719 -6.088 1.00 30.06 H new ATOM 541 N GLU A 34 5.538 8.202 -5.106 1.00 10.11 N ATOM 542 CA GLU A 34 6.369 8.719 -4.063 1.00 10.07 C ATOM 543 C GLU A 34 7.784 8.268 -4.177 1.00 9.32 C ATOM 544 O GLU A 34 8.717 8.997 -3.840 1.00 11.61 O ATOM 545 CB GLU A 34 5.828 8.182 -2.727 1.00 14.77 C ATOM 546 CG GLU A 34 4.425 8.742 -2.485 1.00 18.75 C ATOM 547 CD GLU A 34 4.462 10.220 -2.125 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.154 10.585 -1.137 1.00 21.95 O ATOM 549 OE2 GLU A 34 3.827 11.053 -2.825 1.00 25.19 O ATOM 0 H GLU A 34 5.155 7.281 -4.890 1.00 10.11 H new ATOM 0 HA GLU A 34 6.350 9.807 -4.130 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.798 7.093 -2.746 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.492 8.469 -1.911 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.818 8.601 -3.379 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.944 8.184 -1.682 1.00 18.75 H new ATOM 556 N GLY A 35 8.019 7.104 -4.809 1.00 7.22 N ATOM 557 CA GLY A 35 9.309 6.532 -5.038 1.00 6.29 C ATOM 558 C GLY A 35 9.817 5.690 -3.919 1.00 6.93 C ATOM 559 O GLY A 35 11.019 5.657 -3.657 1.00 7.41 O ATOM 0 H GLY A 35 7.263 6.529 -5.182 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.269 5.926 -5.943 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.021 7.336 -5.224 1.00 6.29 H new ATOM 563 N ILE A 36 8.908 4.931 -3.282 1.00 5.86 N ATOM 564 CA ILE A 36 9.363 3.820 -2.505 1.00 6.07 C ATOM 565 C ILE A 36 9.478 2.562 -3.295 1.00 6.36 C ATOM 566 O ILE A 36 8.474 2.163 -3.882 1.00 6.18 O ATOM 567 CB ILE A 36 8.525 3.573 -1.285 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.074 4.899 -0.651 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.227 2.605 -0.318 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.164 4.750 0.568 1.00 9.49 C ATOM 0 H ILE A 36 7.899 5.076 -3.301 1.00 5.86 H new ATOM 0 HA ILE A 36 10.362 4.110 -2.179 1.00 6.07 H new ATOM 0 HB ILE A 36 7.605 3.066 -1.576 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.958 5.465 -0.359 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.553 5.488 -1.406 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.597 2.444 0.557 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.402 1.653 -0.819 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.180 3.031 -0.005 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.898 5.737 0.946 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.258 4.215 0.283 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.686 4.192 1.345 1.00 9.49 H new ATOM 582 N PRO A 37 10.537 1.808 -3.323 1.00 8.65 N ATOM 583 CA PRO A 37 10.560 0.505 -3.922 1.00 9.18 C ATOM 584 C PRO A 37 9.897 -0.513 -3.059 1.00 9.85 C ATOM 585 O PRO A 37 9.694 -0.334 -1.860 1.00 8.51 O ATOM 586 CB PRO A 37 12.055 0.243 -4.084 1.00 11.42 C ATOM 587 CG PRO A 37 12.720 0.911 -2.870 1.00 9.27 C ATOM 588 CD PRO A 37 11.832 2.161 -2.763 1.00 8.33 C ATOM 0 HA PRO A 37 10.012 0.448 -4.863 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.266 -0.826 -4.109 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.429 0.664 -5.018 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.682 0.290 -1.975 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.768 1.153 -3.045 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.731 2.475 -1.724 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.273 2.996 -3.307 1.00 8.33 H new ATOM 596 N PRO A 38 9.443 -1.618 -3.572 1.00 8.71 N ATOM 597 CA PRO A 38 8.454 -2.426 -2.919 1.00 9.08 C ATOM 598 C PRO A 38 9.118 -3.434 -2.046 1.00 9.28 C ATOM 599 O PRO A 38 8.421 -4.184 -1.365 1.00 6.50 O ATOM 600 CB PRO A 38 7.741 -3.138 -4.066 1.00 10.31 C ATOM 601 CG PRO A 38 8.903 -3.367 -5.045 1.00 10.81 C ATOM 602 CD PRO A 38 9.590 -1.994 -4.970 1.00 12.00 C ATOM 0 HA PRO A 38 7.780 -1.841 -2.293 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.281 -4.074 -3.747 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.951 -2.527 -4.502 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.559 -4.179 -4.731 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.559 -3.606 -6.051 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.639 -2.053 -5.262 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.115 -1.270 -5.633 1.00 12.00 H new ATOM 610 N ASP A 39 10.456 -3.514 -1.930 1.00 11.20 N ATOM 611 CA ASP A 39 11.197 -4.288 -0.983 1.00 14.96 C ATOM 612 C ASP A 39 11.192 -3.632 0.354 1.00 13.99 C ATOM 613 O ASP A 39 11.167 -4.298 1.388 1.00 13.75 O ATOM 614 CB ASP A 39 12.626 -4.630 -1.436 1.00 24.16 C ATOM 615 CG ASP A 39 13.438 -3.379 -1.740 1.00 31.06 C ATOM 616 OD1 ASP A 39 13.087 -2.658 -2.712 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.568 -3.274 -1.192 1.00 35.55 O ATOM 0 H ASP A 39 11.070 -2.991 -2.554 1.00 11.20 H new ATOM 0 HA ASP A 39 10.682 -5.246 -0.908 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.125 -5.207 -0.658 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.585 -5.261 -2.324 1.00 24.16 H new ATOM 622 N GLN A 40 11.108 -2.292 0.437 1.00 11.60 N ATOM 623 CA GLN A 40 11.002 -1.595 1.681 1.00 10.76 C ATOM 624 C GLN A 40 9.649 -1.830 2.260 1.00 8.01 C ATOM 625 O GLN A 40 9.444 -1.978 3.464 1.00 8.96 O ATOM 626 CB GLN A 40 11.243 -0.077 1.612 1.00 11.14 C ATOM 627 CG GLN A 40 12.690 0.281 1.267 1.00 14.85 C ATOM 628 CD GLN A 40 12.883 1.776 1.057 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.252 2.627 1.682 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.737 2.102 0.051 1.00 18.16 N ATOM 0 H GLN A 40 11.114 -1.679 -0.379 1.00 11.60 H new ATOM 0 HA GLN A 40 11.802 -1.998 2.303 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.579 0.358 0.865 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.982 0.371 2.571 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.346 -0.058 2.068 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.988 -0.252 0.364 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.244 1.369 -0.445 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.871 3.080 -0.207 1.00 18.16 H new ATOM 639 N GLN A 41 8.643 -1.869 1.368 1.00 6.52 N ATOM 640 CA GLN A 41 7.250 -1.775 1.677 1.00 3.87 C ATOM 641 C GLN A 41 6.597 -2.992 2.237 1.00 4.79 C ATOM 642 O GLN A 41 6.554 -4.059 1.626 1.00 6.34 O ATOM 643 CB GLN A 41 6.443 -1.383 0.428 1.00 4.20 C ATOM 644 CG GLN A 41 6.830 -0.016 -0.142 1.00 3.20 C ATOM 645 CD GLN A 41 6.054 0.415 -1.378 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.832 0.360 -1.242 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.705 0.694 -2.539 1.00 7.13 N ATOM 0 H GLN A 41 8.814 -1.973 0.368 1.00 6.52 H new ATOM 0 HA GLN A 41 7.236 -1.020 2.463 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.586 -2.142 -0.341 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.382 -1.377 0.677 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.691 0.736 0.635 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.892 -0.030 -0.386 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.725 0.718 -2.559 1.00 7.13 H new ATOM 0 HE22 GLN A 41 6.174 0.879 -3.390 1.00 7.13 H new ATOM 656 N ARG A 42 6.101 -2.894 3.483 1.00 5.73 N ATOM 657 CA ARG A 42 5.215 -3.834 4.097 1.00 6.97 C ATOM 658 C ARG A 42 3.914 -3.156 4.358 1.00 7.15 C ATOM 659 O ARG A 42 3.805 -2.062 4.909 1.00 7.33 O ATOM 660 CB ARG A 42 5.754 -4.380 5.429 1.00 13.23 C ATOM 661 CG ARG A 42 4.770 -5.271 6.191 1.00 21.27 C ATOM 662 CD ARG A 42 5.455 -6.053 7.313 1.00 26.14 C ATOM 663 NE ARG A 42 6.390 -6.967 6.598 1.00 32.26 N ATOM 664 CZ ARG A 42 7.113 -7.914 7.265 1.00 34.32 C ATOM 665 NH1 ARG A 42 7.066 -7.946 8.629 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.026 -8.657 6.575 1.00 36.39 N ATOM 0 H ARG A 42 6.332 -2.113 4.097 1.00 5.73 H new ATOM 0 HA ARG A 42 5.107 -4.677 3.415 1.00 6.97 H new ATOM 0 HB2 ARG A 42 6.663 -4.948 5.234 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.033 -3.540 6.066 1.00 13.23 H new ATOM 0 HG2 ARG A 42 3.975 -4.656 6.611 1.00 21.27 H new ATOM 0 HG3 ARG A 42 4.301 -5.969 5.497 1.00 21.27 H new ATOM 0 HD2 ARG A 42 5.988 -5.389 7.994 1.00 26.14 H new ATOM 0 HD3 ARG A 42 4.733 -6.609 7.911 1.00 26.14 H new ATOM 0 HE ARG A 42 6.492 -6.883 5.587 1.00 32.26 H new ATOM 0 HH11 ARG A 42 6.496 -7.268 9.136 1.00 35.30 H new ATOM 0 HH12 ARG A 42 7.601 -8.647 9.141 1.00 35.30 H new ATOM 0 HH21 ARG A 42 8.160 -8.501 5.576 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.574 -9.368 7.058 1.00 36.39 H new ATOM 680 N LEU A 43 2.799 -3.649 3.788 1.00 4.65 N ATOM 681 CA LEU A 43 1.542 -2.967 3.786 1.00 3.51 C ATOM 682 C LEU A 43 0.557 -3.689 4.639 1.00 5.56 C ATOM 683 O LEU A 43 0.152 -4.816 4.358 1.00 4.19 O ATOM 684 CB LEU A 43 0.969 -2.764 2.373 1.00 3.74 C ATOM 685 CG LEU A 43 0.053 -1.544 2.174 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.398 -0.176 2.785 1.00 6.41 C ATOM 687 CD2 LEU A 43 -0.264 -1.318 0.686 1.00 9.55 C ATOM 0 H LEU A 43 2.772 -4.551 3.313 1.00 4.65 H new ATOM 0 HA LEU A 43 1.727 -1.975 4.198 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.802 -2.683 1.675 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.410 -3.659 2.099 1.00 3.74 H new ATOM 0 HG LEU A 43 -0.790 -1.879 2.779 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.377 0.545 2.525 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.460 -0.267 3.869 1.00 6.41 H new ATOM 0 HD13 LEU A 43 1.357 0.166 2.394 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -0.913 -0.449 0.580 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.663 -1.148 0.138 1.00 9.55 H new ATOM 0 HD23 LEU A 43 -0.767 -2.197 0.283 1.00 9.55 H new ATOM 699 N ILE A 44 0.131 -3.095 5.768 1.00 4.58 N ATOM 700 CA ILE A 44 -0.776 -3.670 6.712 1.00 5.55 C ATOM 701 C ILE A 44 -2.132 -3.077 6.543 1.00 5.46 C ATOM 702 O ILE A 44 -2.302 -1.860 6.487 1.00 6.04 O ATOM 703 CB ILE A 44 -0.252 -3.448 8.100 1.00 6.80 C ATOM 704 CG1 ILE A 44 1.231 -3.806 8.293 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.011 -4.290 9.139 1.00 7.39 C ATOM 706 CD1 ILE A 44 1.635 -5.254 8.018 1.00 13.90 C ATOM 0 H ILE A 44 0.438 -2.160 6.037 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.859 -4.743 6.540 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.392 -2.377 8.243 1.00 6.80 H new ATOM 0 HG12 ILE A 44 1.823 -3.160 7.645 1.00 10.31 H new ATOM 0 HG13 ILE A 44 1.507 -3.566 9.320 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.601 -4.100 10.131 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -2.067 -4.020 9.125 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.904 -5.348 8.898 1.00 7.39 H new ATOM 0 HD11 ILE A 44 2.705 -5.372 8.191 1.00 13.90 H new ATOM 0 HD12 ILE A 44 1.084 -5.918 8.684 1.00 13.90 H new ATOM 0 HD13 ILE A 44 1.405 -5.506 6.983 1.00 13.90 H new ATOM 718 N PHE A 45 -3.277 -3.783 6.579 1.00 6.75 N ATOM 719 CA PHE A 45 -4.525 -3.197 6.958 1.00 4.70 C ATOM 720 C PHE A 45 -4.870 -3.686 8.323 1.00 6.34 C ATOM 721 O PHE A 45 -5.072 -4.880 8.541 1.00 5.45 O ATOM 722 CB PHE A 45 -5.547 -3.584 5.876 1.00 5.51 C ATOM 723 CG PHE A 45 -6.937 -3.076 6.050 1.00 5.98 C ATOM 724 CD1 PHE A 45 -7.095 -1.731 6.284 1.00 6.86 C ATOM 725 CD2 PHE A 45 -8.002 -3.934 6.190 1.00 5.87 C ATOM 726 CE1 PHE A 45 -8.310 -1.213 6.666 1.00 6.68 C ATOM 727 CE2 PHE A 45 -9.233 -3.384 6.457 1.00 6.64 C ATOM 728 CZ PHE A 45 -9.408 -2.041 6.696 1.00 6.84 C ATOM 0 H PHE A 45 -3.337 -4.773 6.342 1.00 6.75 H new ATOM 0 HA PHE A 45 -4.499 -2.109 7.016 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -5.174 -3.230 4.915 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -5.588 -4.672 5.821 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -6.250 -1.069 6.166 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -7.876 -5.002 6.094 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -8.401 -0.172 6.938 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -10.097 -4.032 6.480 1.00 6.64 H new ATOM 0 HZ PHE A 45 -10.390 -1.643 6.904 1.00 6.84 H new ATOM 738 N ALA A 46 -4.858 -2.830 9.360 1.00 6.53 N ATOM 739 CA ALA A 46 -5.051 -3.119 10.748 1.00 7.15 C ATOM 740 C ALA A 46 -3.926 -3.825 11.421 1.00 9.00 C ATOM 741 O ALA A 46 -2.926 -3.230 11.820 1.00 11.15 O ATOM 742 CB ALA A 46 -6.434 -3.748 10.991 1.00 8.99 C ATOM 0 H ALA A 46 -4.696 -1.834 9.208 1.00 6.53 H new ATOM 0 HA ALA A 46 -5.039 -2.155 11.258 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -6.556 -3.958 12.053 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -7.211 -3.056 10.666 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -6.516 -4.676 10.426 1.00 8.99 H new ATOM 748 N GLY A 47 -4.006 -5.156 11.597 1.00 9.35 N ATOM 749 CA GLY A 47 -2.882 -6.000 11.861 1.00 11.68 C ATOM 750 C GLY A 47 -2.681 -7.106 10.883 1.00 11.14 C ATOM 751 O GLY A 47 -1.823 -7.960 11.100 1.00 13.93 O ATOM 0 H GLY A 47 -4.889 -5.665 11.554 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -1.982 -5.385 11.881 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -2.996 -6.431 12.856 1.00 11.68 H new ATOM 755 N LYS A 48 -3.441 -7.104 9.773 1.00 10.47 N ATOM 756 CA LYS A 48 -3.278 -7.993 8.665 1.00 8.82 C ATOM 757 C LYS A 48 -2.343 -7.505 7.612 1.00 7.68 C ATOM 758 O LYS A 48 -2.578 -6.426 7.070 1.00 6.47 O ATOM 759 CB LYS A 48 -4.664 -8.219 8.038 1.00 9.74 C ATOM 760 CG LYS A 48 -4.611 -9.136 6.814 1.00 14.14 C ATOM 761 CD LYS A 48 -4.404 -10.610 7.168 1.00 16.32 C ATOM 762 CE LYS A 48 -5.592 -11.293 7.848 1.00 20.04 C ATOM 763 NZ LYS A 48 -6.652 -11.567 6.852 1.00 23.92 N ATOM 0 H LYS A 48 -4.210 -6.447 9.642 1.00 10.47 H new ATOM 0 HA LYS A 48 -2.835 -8.910 9.053 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -5.330 -8.652 8.784 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -5.090 -7.258 7.750 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -5.538 -9.032 6.251 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -3.802 -8.810 6.160 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.166 -11.156 6.255 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.536 -10.691 7.823 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -5.270 -12.224 8.314 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -5.983 -10.657 8.642 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -7.456 -12.031 7.320 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -6.968 -10.672 6.426 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -6.277 -12.190 6.109 1.00 23.92 H new ATOM 777 N GLN A 49 -1.305 -8.276 7.243 1.00 8.89 N ATOM 778 CA GLN A 49 -0.338 -7.907 6.256 1.00 7.18 C ATOM 779 C GLN A 49 -0.959 -8.319 4.966 1.00 8.23 C ATOM 780 O GLN A 49 -1.399 -9.450 4.767 1.00 9.70 O ATOM 781 CB GLN A 49 0.947 -8.730 6.446 1.00 11.67 C ATOM 782 CG GLN A 49 1.913 -8.447 5.293 1.00 15.82 C ATOM 783 CD GLN A 49 3.296 -9.025 5.556 1.00 20.21 C ATOM 784 OE1 GLN A 49 3.762 -9.112 6.691 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.056 -9.529 4.547 1.00 20.67 N ATOM 0 H GLN A 49 -1.132 -9.195 7.649 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.083 -6.848 6.308 1.00 7.18 H new ATOM 0 HB2 GLN A 49 1.416 -8.477 7.397 1.00 11.67 H new ATOM 0 HB3 GLN A 49 0.708 -9.793 6.481 1.00 11.67 H new ATOM 0 HG2 GLN A 49 1.512 -8.870 4.372 1.00 15.82 H new ATOM 0 HG3 GLN A 49 1.992 -7.370 5.142 1.00 15.82 H new ATOM 0 HE21 GLN A 49 3.720 -9.485 3.585 1.00 20.67 H new ATOM 0 HE22 GLN A 49 4.961 -9.951 4.753 1.00 20.67 H new ATOM 794 N LEU A 50 -0.948 -7.397 3.987 1.00 6.51 N ATOM 795 CA LEU A 50 -1.563 -7.544 2.704 1.00 7.41 C ATOM 796 C LEU A 50 -0.577 -8.070 1.719 1.00 8.27 C ATOM 797 O LEU A 50 0.487 -7.469 1.578 1.00 8.34 O ATOM 798 CB LEU A 50 -2.062 -6.192 2.167 1.00 7.13 C ATOM 799 CG LEU A 50 -2.910 -5.349 3.135 1.00 7.53 C ATOM 800 CD1 LEU A 50 -3.266 -4.008 2.473 1.00 9.11 C ATOM 801 CD2 LEU A 50 -4.187 -6.125 3.497 1.00 8.14 C ATOM 0 H LEU A 50 -0.482 -6.496 4.098 1.00 6.51 H new ATOM 0 HA LEU A 50 -2.401 -8.230 2.828 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -1.196 -5.602 1.867 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -2.650 -6.376 1.268 1.00 7.13 H new ATOM 0 HG LEU A 50 -2.345 -5.150 4.046 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.867 -3.411 3.160 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -2.351 -3.468 2.229 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.833 -4.192 1.561 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -4.791 -5.531 4.183 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -4.759 -6.327 2.591 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -3.917 -7.067 3.974 1.00 8.14 H new ATOM 813 N GLU A 51 -0.828 -9.163 0.976 1.00 9.43 N ATOM 814 CA GLU A 51 0.207 -9.857 0.275 1.00 11.90 C ATOM 815 C GLU A 51 -0.027 -9.921 -1.195 1.00 11.49 C ATOM 816 O GLU A 51 -1.159 -9.964 -1.674 1.00 9.88 O ATOM 817 CB GLU A 51 0.168 -11.325 0.732 1.00 16.56 C ATOM 818 CG GLU A 51 0.645 -11.277 2.185 1.00 26.06 C ATOM 819 CD GLU A 51 0.724 -12.678 2.774 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.506 -13.513 2.247 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.047 -12.913 3.811 1.00 33.44 O ATOM 0 H GLU A 51 -1.757 -9.569 0.860 1.00 9.43 H new ATOM 0 HA GLU A 51 1.139 -9.330 0.480 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.837 -11.739 0.656 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.818 -11.950 0.120 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.624 -10.801 2.236 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.037 -10.667 2.777 1.00 26.06 H new ATOM 828 N ASP A 52 1.112 -9.967 -1.909 1.00 12.71 N ATOM 829 CA ASP A 52 1.377 -9.831 -3.308 1.00 16.56 C ATOM 830 C ASP A 52 0.273 -9.991 -4.295 1.00 15.83 C ATOM 831 O ASP A 52 -0.322 -9.060 -4.835 1.00 17.21 O ATOM 832 CB ASP A 52 2.653 -10.530 -3.807 1.00 21.05 C ATOM 833 CG ASP A 52 3.893 -9.950 -3.143 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.066 -8.704 -3.225 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.669 -10.757 -2.564 1.00 28.37 O ATOM 0 H ASP A 52 1.989 -10.127 -1.414 1.00 12.71 H new ATOM 0 HA ASP A 52 1.536 -8.753 -3.293 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.591 -11.598 -3.598 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.732 -10.421 -4.889 1.00 21.05 H new ATOM 840 N GLY A 53 -0.150 -11.247 -4.523 1.00 15.00 N ATOM 841 CA GLY A 53 -0.961 -11.599 -5.647 1.00 11.77 C ATOM 842 C GLY A 53 -2.428 -11.687 -5.402 1.00 11.10 C ATOM 843 O GLY A 53 -3.113 -12.490 -6.035 1.00 11.25 O ATOM 0 H GLY A 53 0.076 -12.034 -3.915 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.789 -10.866 -6.435 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.619 -12.562 -6.027 1.00 11.77 H new ATOM 847 N ARG A 54 -3.013 -10.855 -4.523 1.00 8.53 N ATOM 848 CA ARG A 54 -4.417 -10.784 -4.260 1.00 9.05 C ATOM 849 C ARG A 54 -4.909 -9.378 -4.238 1.00 8.96 C ATOM 850 O ARG A 54 -4.069 -8.496 -4.409 1.00 11.60 O ATOM 851 CB ARG A 54 -4.796 -11.491 -2.947 1.00 7.97 C ATOM 852 CG ARG A 54 -3.875 -12.636 -2.522 1.00 9.62 C ATOM 853 CD ARG A 54 -4.302 -13.159 -1.149 1.00 12.20 C ATOM 854 NE ARG A 54 -3.152 -13.946 -0.621 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.969 -14.216 0.704 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.908 -13.911 1.648 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.835 -14.879 1.072 1.00 25.50 N ATOM 0 H ARG A 54 -2.475 -10.194 -3.963 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.904 -11.307 -5.083 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.816 -10.749 -2.149 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.809 -11.881 -3.045 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.916 -13.440 -3.257 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.842 -12.290 -2.485 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.549 -12.335 -0.479 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.193 -13.781 -1.231 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.465 -14.302 -1.286 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.783 -13.466 1.372 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.734 -14.129 2.629 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.155 -15.157 0.365 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.667 -15.096 2.054 1.00 25.50 H new ATOM 871 N THR A 55 -6.222 -9.090 -4.179 1.00 9.05 N ATOM 872 CA THR A 55 -6.806 -7.804 -4.404 1.00 9.03 C ATOM 873 C THR A 55 -7.040 -7.045 -3.143 1.00 8.15 C ATOM 874 O THR A 55 -6.910 -7.587 -2.047 1.00 5.91 O ATOM 875 CB THR A 55 -8.086 -7.864 -5.184 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.138 -8.564 -4.535 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.844 -8.653 -6.482 1.00 11.71 C ATOM 0 H THR A 55 -6.919 -9.801 -3.960 1.00 9.05 H new ATOM 0 HA THR A 55 -6.064 -7.274 -5.000 1.00 9.03 H new ATOM 0 HB THR A 55 -8.377 -6.823 -5.327 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.842 -9.473 -4.320 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.769 -8.702 -7.056 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.076 -8.154 -7.073 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.515 -9.663 -6.238 1.00 11.71 H new ATOM 885 N LEU A 56 -7.339 -5.734 -3.180 1.00 6.91 N ATOM 886 CA LEU A 56 -7.836 -5.056 -2.023 1.00 8.29 C ATOM 887 C LEU A 56 -9.146 -5.590 -1.556 1.00 8.05 C ATOM 888 O LEU A 56 -9.400 -5.687 -0.357 1.00 10.17 O ATOM 889 CB LEU A 56 -7.915 -3.547 -2.308 1.00 6.60 C ATOM 890 CG LEU A 56 -6.538 -2.909 -2.559 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.780 -1.542 -3.221 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.745 -2.674 -1.263 1.00 9.85 C ATOM 0 H LEU A 56 -7.237 -5.146 -4.007 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.136 -5.234 -1.206 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.550 -3.380 -3.178 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.392 -3.048 -1.464 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.957 -3.588 -3.183 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.823 -1.057 -3.415 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.313 -1.682 -4.161 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.375 -0.916 -2.556 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.782 -2.222 -1.502 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.306 -2.007 -0.609 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.583 -3.626 -0.758 1.00 9.85 H new ATOM 904 N SER A 57 -9.972 -6.018 -2.527 1.00 8.92 N ATOM 905 CA SER A 57 -11.257 -6.600 -2.291 1.00 9.00 C ATOM 906 C SER A 57 -11.231 -7.832 -1.453 1.00 9.44 C ATOM 907 O SER A 57 -12.026 -8.026 -0.535 1.00 10.91 O ATOM 908 CB SER A 57 -11.997 -6.894 -3.607 1.00 10.32 C ATOM 909 OG SER A 57 -13.405 -6.738 -3.505 1.00 13.59 O ATOM 0 H SER A 57 -9.735 -5.956 -3.517 1.00 8.92 H new ATOM 0 HA SER A 57 -11.796 -5.842 -1.723 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.620 -6.230 -4.384 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.773 -7.913 -3.922 1.00 10.32 H new ATOM 0 HG SER A 57 -13.820 -6.936 -4.371 1.00 13.59 H new ATOM 915 N ASP A 58 -10.241 -8.731 -1.592 1.00 9.11 N ATOM 916 CA ASP A 58 -10.060 -9.931 -0.836 1.00 7.91 C ATOM 917 C ASP A 58 -9.981 -9.715 0.636 1.00 9.12 C ATOM 918 O ASP A 58 -10.733 -10.334 1.388 1.00 8.61 O ATOM 919 CB ASP A 58 -8.783 -10.688 -1.241 1.00 8.41 C ATOM 920 CG ASP A 58 -8.922 -11.289 -2.632 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.910 -12.061 -2.755 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.192 -10.919 -3.590 1.00 10.05 O ATOM 0 H ASP A 58 -9.508 -8.607 -2.291 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.953 -10.512 -1.067 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.931 -10.009 -1.218 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.580 -11.478 -0.518 1.00 8.41 H new ATOM 927 N TYR A 59 -9.095 -8.759 0.967 1.00 7.97 N ATOM 928 CA TYR A 59 -8.833 -8.310 2.299 1.00 8.45 C ATOM 929 C TYR A 59 -9.871 -7.384 2.832 1.00 10.98 C ATOM 930 O TYR A 59 -9.808 -6.809 3.918 1.00 12.95 O ATOM 931 CB TYR A 59 -7.545 -7.471 2.362 1.00 7.94 C ATOM 932 CG TYR A 59 -6.387 -8.377 2.119 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.991 -9.264 3.092 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.639 -8.240 0.973 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.935 -10.116 2.872 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.640 -9.133 0.667 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.288 -10.013 1.663 1.00 6.76 C ATOM 938 OH TYR A 59 -3.140 -10.814 1.483 1.00 7.63 O ATOM 0 H TYR A 59 -8.532 -8.274 0.268 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.787 -9.234 2.876 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.571 -6.678 1.614 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.453 -6.989 3.335 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.514 -9.292 4.037 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.840 -7.417 0.303 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.627 -10.835 3.616 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.159 -9.143 -0.300 1.00 5.39 H new ATOM 0 HH TYR A 59 -3.112 -11.506 2.176 1.00 7.63 H new ATOM 948 N ASN A 60 -10.988 -7.219 2.101 1.00 12.38 N ATOM 949 CA ASN A 60 -12.153 -6.416 2.310 1.00 13.94 C ATOM 950 C ASN A 60 -11.944 -4.960 2.543 1.00 14.16 C ATOM 951 O ASN A 60 -12.618 -4.331 3.357 1.00 14.26 O ATOM 952 CB ASN A 60 -13.240 -7.008 3.223 1.00 19.23 C ATOM 953 CG ASN A 60 -13.313 -8.511 2.997 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.229 -9.352 3.890 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.597 -8.885 1.720 1.00 24.09 N ATOM 0 H ASN A 60 -11.081 -7.734 1.226 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.567 -6.468 1.303 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -13.011 -6.795 4.267 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -14.204 -6.548 3.008 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.742 -9.870 1.497 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.665 -8.181 0.985 1.00 24.09 H new ATOM 962 N ILE A 61 -11.007 -4.335 1.807 1.00 11.08 N ATOM 963 CA ILE A 61 -10.691 -2.942 1.885 1.00 11.78 C ATOM 964 C ILE A 61 -11.728 -2.160 1.155 1.00 13.74 C ATOM 965 O ILE A 61 -11.818 -2.146 -0.071 1.00 14.60 O ATOM 966 CB ILE A 61 -9.273 -2.526 1.626 1.00 11.80 C ATOM 967 CG1 ILE A 61 -8.364 -3.270 2.618 1.00 11.56 C ATOM 968 CG2 ILE A 61 -9.065 -1.003 1.681 1.00 13.29 C ATOM 969 CD1 ILE A 61 -7.004 -3.637 2.025 1.00 11.42 C ATOM 0 H ILE A 61 -10.439 -4.830 1.119 1.00 11.08 H new ATOM 0 HA ILE A 61 -10.733 -2.688 2.944 1.00 11.78 H new ATOM 0 HB ILE A 61 -9.011 -2.800 0.604 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -8.213 -2.648 3.500 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -8.866 -4.179 2.951 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -8.018 -0.771 1.485 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -9.690 -0.523 0.928 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -9.339 -0.634 2.669 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -6.409 -4.160 2.774 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -7.147 -4.284 1.159 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -6.484 -2.730 1.718 1.00 11.42 H new ATOM 981 N GLN A 62 -12.509 -1.304 1.839 1.00 13.97 N ATOM 982 CA GLN A 62 -13.469 -0.470 1.185 1.00 15.52 C ATOM 983 C GLN A 62 -12.821 0.832 0.862 1.00 13.94 C ATOM 984 O GLN A 62 -11.700 1.158 1.248 1.00 12.15 O ATOM 985 CB GLN A 62 -14.609 -0.190 2.179 1.00 19.53 C ATOM 986 CG GLN A 62 -15.469 -1.444 2.351 1.00 26.38 C ATOM 987 CD GLN A 62 -16.719 -1.292 3.207 1.00 30.61 C ATOM 988 OE1 GLN A 62 -16.820 -1.732 4.351 1.00 33.23 O ATOM 989 NE2 GLN A 62 -17.862 -0.864 2.607 1.00 32.71 N ATOM 0 H GLN A 62 -12.475 -1.190 2.852 1.00 13.97 H new ATOM 0 HA GLN A 62 -13.841 -0.952 0.281 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -14.198 0.114 3.141 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -15.223 0.636 1.819 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -15.771 -1.790 1.363 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.849 -2.227 2.787 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -17.831 -0.490 1.658 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -18.750 -0.917 3.106 1.00 32.71 H new ATOM 998 N LYS A 63 -13.543 1.729 0.167 1.00 11.73 N ATOM 999 CA LYS A 63 -13.037 3.032 -0.135 1.00 11.97 C ATOM 1000 C LYS A 63 -12.909 3.923 1.052 1.00 10.41 C ATOM 1001 O LYS A 63 -13.644 3.858 2.036 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.790 3.792 -1.240 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.237 4.211 -0.974 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.985 4.381 -2.299 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.402 4.938 -2.154 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.441 6.409 -1.998 1.00 25.97 N ATOM 0 H LYS A 63 -14.483 1.550 -0.188 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.043 2.794 -0.515 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.220 4.692 -1.472 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.783 3.170 -2.135 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.735 3.460 -0.360 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.256 5.146 -0.413 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.410 5.045 -2.945 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.036 3.415 -2.800 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.986 4.657 -3.030 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.880 4.475 -1.290 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.428 6.722 -1.905 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.909 6.682 -1.147 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.013 6.858 -2.833 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.879 4.786 0.991 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.449 5.762 1.943 1.00 10.94 C ATOM 1022 C GLU A 64 -10.829 5.148 3.151 1.00 9.74 C ATOM 1023 O GLU A 64 -10.717 5.762 4.211 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.521 6.805 2.303 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.999 7.496 1.024 1.00 24.16 C ATOM 1026 CD GLU A 64 -14.029 8.587 1.279 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.750 8.620 2.312 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.152 9.421 0.342 1.00 31.72 O ATOM 0 H GLU A 64 -11.275 4.797 0.169 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.666 6.323 1.433 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -13.360 6.324 2.806 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -12.112 7.540 2.997 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.141 7.929 0.511 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.428 6.750 0.355 1.00 24.16 H new ATOM 1035 N SER A 65 -10.387 3.879 3.102 1.00 6.85 N ATOM 1036 CA SER A 65 -9.758 3.199 4.192 1.00 6.90 C ATOM 1037 C SER A 65 -8.342 3.620 4.386 1.00 4.72 C ATOM 1038 O SER A 65 -7.657 3.929 3.412 1.00 3.91 O ATOM 1039 CB SER A 65 -9.757 1.677 3.971 1.00 7.28 C ATOM 1040 OG SER A 65 -11.077 1.165 3.872 1.00 10.56 O ATOM 0 H SER A 65 -10.472 3.301 2.266 1.00 6.85 H new ATOM 0 HA SER A 65 -10.340 3.463 5.075 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.205 1.441 3.061 1.00 7.28 H new ATOM 0 HB3 SER A 65 -9.237 1.189 4.795 1.00 7.28 H new ATOM 0 HG SER A 65 -11.247 0.875 2.951 1.00 10.56 H new ATOM 1046 N THR A 66 -7.869 3.588 5.645 1.00 4.48 N ATOM 1047 CA THR A 66 -6.514 3.758 6.070 1.00 3.80 C ATOM 1048 C THR A 66 -5.707 2.509 6.175 1.00 4.60 C ATOM 1049 O THR A 66 -5.961 1.723 7.086 1.00 5.33 O ATOM 1050 CB THR A 66 -6.471 4.556 7.340 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.927 5.844 6.954 1.00 2.15 O ATOM 1052 CG2 THR A 66 -5.017 4.632 7.838 1.00 3.40 C ATOM 0 H THR A 66 -8.493 3.429 6.436 1.00 4.48 H new ATOM 0 HA THR A 66 -6.025 4.309 5.267 1.00 3.80 H new ATOM 0 HB THR A 66 -7.072 4.127 8.142 1.00 2.85 H new ATOM 0 HG1 THR A 66 -6.932 6.437 7.734 1.00 2.15 H new ATOM 0 HG21 THR A 66 -4.978 5.211 8.761 1.00 3.40 H new ATOM 0 HG22 THR A 66 -4.643 3.625 8.025 1.00 3.40 H new ATOM 0 HG23 THR A 66 -4.398 5.114 7.081 1.00 3.40 H new ATOM 1060 N LEU A 67 -4.766 2.227 5.257 1.00 4.17 N ATOM 1061 CA LEU A 67 -3.734 1.241 5.345 1.00 3.85 C ATOM 1062 C LEU A 67 -2.453 1.743 5.918 1.00 3.80 C ATOM 1063 O LEU A 67 -2.105 2.917 5.802 1.00 5.54 O ATOM 1064 CB LEU A 67 -3.343 0.656 3.977 1.00 7.18 C ATOM 1065 CG LEU A 67 -4.467 0.499 2.939 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.884 -0.033 1.618 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -5.586 -0.362 3.547 1.00 8.12 C ATOM 0 H LEU A 67 -4.725 2.736 4.374 1.00 4.17 H new ATOM 0 HA LEU A 67 -4.186 0.495 5.999 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.569 1.291 3.545 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -2.895 -0.324 4.143 1.00 7.18 H new ATOM 0 HG LEU A 67 -4.922 1.457 2.686 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.684 -0.143 0.885 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.140 0.668 1.240 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.415 -1.002 1.791 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -6.389 -0.481 2.820 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -5.188 -1.342 3.811 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -5.975 0.125 4.441 1.00 8.12 H new ATOM 1079 N HIS A 68 -1.631 0.898 6.564 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.499 1.337 7.319 1.00 4.17 C ATOM 1081 C HIS A 68 0.657 0.680 6.648 1.00 5.32 C ATOM 1082 O HIS A 68 0.705 -0.524 6.398 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.372 0.911 8.792 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.580 1.222 9.624 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.835 0.585 10.821 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.602 2.104 9.458 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -2.986 1.102 11.326 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -3.482 2.020 10.517 1.00 16.30 N ATOM 0 H HIS A 68 -1.756 -0.114 6.562 1.00 2.94 H new ATOM 0 HA HIS A 68 -0.570 2.424 7.342 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.181 -0.161 8.834 1.00 5.57 H new ATOM 0 HB3 HIS A 68 0.495 1.407 9.229 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.709 2.774 8.618 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -3.434 0.803 12.262 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -4.339 2.557 10.648 1.00 16.30 H new ATOM 1096 N LEU A 69 1.623 1.537 6.273 1.00 5.29 N ATOM 1097 CA LEU A 69 2.871 1.229 5.648 1.00 3.97 C ATOM 1098 C LEU A 69 3.937 1.297 6.687 1.00 5.07 C ATOM 1099 O LEU A 69 4.214 2.295 7.351 1.00 4.34 O ATOM 1100 CB LEU A 69 3.200 2.296 4.590 1.00 6.08 C ATOM 1101 CG LEU A 69 4.518 2.050 3.837 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.703 0.594 3.379 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.600 2.994 2.625 1.00 6.87 C ATOM 0 H LEU A 69 1.518 2.540 6.423 1.00 5.29 H new ATOM 0 HA LEU A 69 2.813 0.243 5.187 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.385 2.340 3.868 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.248 3.271 5.076 1.00 6.08 H new ATOM 0 HG LEU A 69 5.325 2.255 4.541 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.654 0.495 2.855 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.697 -0.064 4.248 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.889 0.317 2.709 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.534 2.820 2.091 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.759 2.803 1.958 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.565 4.029 2.967 1.00 6.87 H new ATOM 1115 N VAL A 70 4.645 0.160 6.801 1.00 4.29 N ATOM 1116 CA VAL A 70 5.923 0.062 7.436 1.00 6.26 C ATOM 1117 C VAL A 70 7.060 -0.114 6.490 1.00 9.22 C ATOM 1118 O VAL A 70 6.970 -0.976 5.617 1.00 9.36 O ATOM 1119 CB VAL A 70 5.958 -1.137 8.337 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.266 -1.225 9.142 1.00 9.76 C ATOM 1121 CG2 VAL A 70 4.746 -1.163 9.284 1.00 8.54 C ATOM 0 H VAL A 70 4.312 -0.732 6.434 1.00 4.29 H new ATOM 0 HA VAL A 70 6.042 1.006 7.968 1.00 6.26 H new ATOM 0 HB VAL A 70 5.911 -2.011 7.688 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.243 -2.109 9.779 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.111 -1.293 8.457 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.373 -0.335 9.762 1.00 9.76 H new ATOM 0 HG21 VAL A 70 4.802 -2.044 9.923 1.00 8.54 H new ATOM 0 HG22 VAL A 70 4.748 -0.266 9.903 1.00 8.54 H new ATOM 0 HG23 VAL A 70 3.827 -1.198 8.698 1.00 8.54 H new ATOM 1131 N LEU A 71 8.154 0.663 6.587 1.00 12.71 N ATOM 1132 CA LEU A 71 9.370 0.619 5.836 1.00 16.06 C ATOM 1133 C LEU A 71 10.542 -0.072 6.445 1.00 18.09 C ATOM 1134 O LEU A 71 10.948 0.108 7.592 1.00 19.26 O ATOM 1135 CB LEU A 71 9.778 2.046 5.433 1.00 17.10 C ATOM 1136 CG LEU A 71 8.740 2.838 4.620 1.00 19.37 C ATOM 1137 CD1 LEU A 71 9.036 4.321 4.902 1.00 19.57 C ATOM 1138 CD2 LEU A 71 8.722 2.439 3.135 1.00 17.51 C ATOM 0 H LEU A 71 8.185 1.413 7.278 1.00 12.71 H new ATOM 0 HA LEU A 71 9.115 -0.010 4.983 1.00 16.06 H new ATOM 0 HB2 LEU A 71 10.006 2.607 6.339 1.00 17.10 H new ATOM 0 HB3 LEU A 71 10.699 1.989 4.853 1.00 17.10 H new ATOM 0 HG LEU A 71 7.718 2.611 4.923 1.00 19.37 H new ATOM 0 HD11 LEU A 71 8.331 4.944 4.352 1.00 19.57 H new ATOM 0 HD12 LEU A 71 8.936 4.515 5.970 1.00 19.57 H new ATOM 0 HD13 LEU A 71 10.052 4.556 4.584 1.00 19.57 H new ATOM 0 HD21 LEU A 71 7.971 3.029 2.609 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.702 2.625 2.696 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.479 1.380 3.046 1.00 17.51 H new ATOM 1150 N ARG A 72 11.271 -0.793 5.574 1.00 21.47 N ATOM 1151 CA ARG A 72 12.442 -1.512 5.968 1.00 25.83 C ATOM 1152 C ARG A 72 13.643 -0.677 6.253 1.00 27.74 C ATOM 1153 O ARG A 72 13.937 0.180 5.421 1.00 30.65 O ATOM 1154 CB ARG A 72 12.591 -2.680 4.979 1.00 28.49 C ATOM 1155 CG ARG A 72 13.510 -3.795 5.482 1.00 31.79 C ATOM 1156 CD ARG A 72 13.664 -5.019 4.576 1.00 34.05 C ATOM 1157 NE ARG A 72 14.329 -6.066 5.402 1.00 35.08 N ATOM 1158 CZ ARG A 72 14.206 -7.396 5.124 1.00 34.67 C ATOM 1159 NH1 ARG A 72 13.431 -7.933 4.138 1.00 35.02 N ATOM 1160 NH2 ARG A 72 14.757 -8.305 5.982 1.00 34.97 N ATOM 0 H ARG A 72 11.044 -0.878 4.583 1.00 21.47 H new ATOM 0 HA ARG A 72 12.327 -1.930 6.968 1.00 25.83 H new ATOM 0 HB2 ARG A 72 11.606 -3.098 4.772 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.980 -2.298 4.035 1.00 28.49 H new ATOM 0 HG2 ARG A 72 14.499 -3.370 5.651 1.00 31.79 H new ATOM 0 HG3 ARG A 72 13.138 -4.132 6.449 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.694 -5.363 4.218 1.00 34.05 H new ATOM 0 HD3 ARG A 72 14.261 -4.780 3.696 1.00 34.05 H new ATOM 0 HE ARG A 72 14.894 -5.779 6.201 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.880 -7.324 3.534 1.00 35.02 H new ATOM 0 HH12 ARG A 72 13.403 -8.944 4.005 1.00 35.02 H new ATOM 0 HH21 ARG A 72 15.251 -7.985 6.815 1.00 34.97 H new ATOM 0 HH22 ARG A 72 14.674 -9.303 5.789 1.00 34.97 H new ATOM 1174 N LEU A 73 14.416 -0.979 7.312 1.00 28.93 N ATOM 1175 CA LEU A 73 15.632 -0.308 7.655 1.00 30.76 C ATOM 1176 C LEU A 73 16.735 -1.230 7.264 1.00 32.18 C ATOM 1177 O LEU A 73 16.481 -2.382 6.915 1.00 32.31 O ATOM 1178 CB LEU A 73 15.864 -0.161 9.168 1.00 30.53 C ATOM 1179 CG LEU A 73 14.861 0.705 9.949 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.106 0.459 11.448 1.00 29.11 C ATOM 1181 CD2 LEU A 73 15.070 2.166 9.516 1.00 29.57 C ATOM 0 H LEU A 73 14.181 -1.729 7.962 1.00 28.93 H new ATOM 0 HA LEU A 73 15.591 0.672 7.179 1.00 30.76 H new ATOM 0 HB2 LEU A 73 15.865 -1.158 9.609 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.860 0.255 9.319 1.00 30.53 H new ATOM 0 HG LEU A 73 13.820 0.455 9.746 1.00 30.16 H new ATOM 0 HD11 LEU A 73 14.410 1.059 12.034 1.00 29.11 H new ATOM 0 HD12 LEU A 73 14.954 -0.597 11.673 1.00 29.11 H new ATOM 0 HD13 LEU A 73 16.129 0.740 11.700 1.00 29.11 H new ATOM 0 HD21 LEU A 73 14.372 2.808 10.053 1.00 29.57 H new ATOM 0 HD22 LEU A 73 16.092 2.470 9.744 1.00 29.57 H new ATOM 0 HD23 LEU A 73 14.895 2.256 8.444 1.00 29.57 H new ATOM 1193 N ARG A 74 18.000 -0.774 7.294 1.00 33.82 N ATOM 1194 CA ARG A 74 19.136 -1.595 7.009 1.00 35.33 C ATOM 1195 C ARG A 74 19.476 -2.514 8.132 1.00 36.22 C ATOM 1196 O ARG A 74 19.033 -2.343 9.266 1.00 36.70 O ATOM 1197 CB ARG A 74 20.364 -0.737 6.661 1.00 36.91 C ATOM 1198 CG ARG A 74 20.244 -0.018 5.315 1.00 38.62 C ATOM 1199 CD ARG A 74 19.779 -0.837 4.109 1.00 39.75 C ATOM 1200 NE ARG A 74 20.148 -0.029 2.913 1.00 41.13 N ATOM 1201 CZ ARG A 74 19.674 -0.342 1.672 1.00 41.91 C ATOM 1202 NH1 ARG A 74 18.905 -1.439 1.409 1.00 42.75 N ATOM 1203 NH2 ARG A 74 20.060 0.439 0.622 1.00 41.93 N ATOM 0 H ARG A 74 18.239 0.191 7.522 1.00 33.82 H new ATOM 0 HA ARG A 74 18.861 -2.205 6.149 1.00 35.33 H new ATOM 0 HB2 ARG A 74 20.515 0.003 7.447 1.00 36.91 H new ATOM 0 HB3 ARG A 74 21.249 -1.373 6.647 1.00 36.91 H new ATOM 0 HG2 ARG A 74 19.553 0.815 5.441 1.00 38.62 H new ATOM 0 HG3 ARG A 74 21.218 0.409 5.075 1.00 38.62 H new ATOM 0 HD2 ARG A 74 20.263 -1.813 4.088 1.00 39.75 H new ATOM 0 HD3 ARG A 74 18.704 -1.015 4.146 1.00 39.75 H new ATOM 0 HE ARG A 74 20.767 0.774 3.024 1.00 41.13 H new ATOM 0 HH11 ARG A 74 18.655 -2.079 2.163 1.00 42.75 H new ATOM 0 HH12 ARG A 74 18.581 -1.619 0.459 1.00 42.75 H new ATOM 0 HH21 ARG A 74 20.685 1.230 0.777 1.00 41.93 H new ATOM 0 HH22 ARG A 74 19.724 0.232 -0.318 1.00 41.93 H new ATOM 1217 N GLY A 75 20.226 -3.582 7.806 1.00 36.31 N ATOM 1218 CA GLY A 75 20.527 -4.688 8.661 1.00 36.07 C ATOM 1219 C GLY A 75 19.453 -5.179 9.571 1.00 36.16 C ATOM 1220 O GLY A 75 19.414 -4.931 10.775 1.00 36.26 O ATOM 0 H GLY A 75 20.650 -3.678 6.883 1.00 36.31 H new ATOM 0 HA2 GLY A 75 20.839 -5.522 8.032 1.00 36.07 H new ATOM 0 HA3 GLY A 75 21.385 -4.413 9.274 1.00 36.07 H new ATOM 1224 N GLY A 76 18.542 -5.858 8.851 1.00 36.05 N ATOM 1225 CA GLY A 76 17.348 -6.353 9.463 1.00 36.19 C ATOM 1226 C GLY A 76 16.358 -6.914 8.451 1.00 36.20 C ATOM 1227 O GLY A 76 15.667 -6.050 7.849 1.00 36.13 O ATOM 1228 OXT GLY A 76 16.207 -8.154 8.287 1.00 36.27 O ATOM 0 H GLY A 76 18.630 -6.063 7.856 1.00 36.05 H new ATOM 0 HA2 GLY A 76 17.608 -7.131 10.181 1.00 36.19 H new ATOM 0 HA3 GLY A 76 16.872 -5.549 10.024 1.00 36.19 H new TER 1232 GLY A 76