USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 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 61 GLN :FLIP amide:sc=-0.00904 F(o=-16,f=-13) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -12.9! C(o=-13!,f=-18!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 172:sc= -0.254 (180deg=-0.347) USER MOD Set 2.2: A 33 THR OG1 : rot 150:sc= -3.14 USER MOD Single : A 2 SER OG : rot 180:sc= 0.121 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.823 F(o=-2.3,f=-0.82) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 13 MET CE :methyl -161:sc= -1.84 (180deg=-2.72!) USER MOD Single : A 17 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -95:sc= -0.513 (180deg=-0.959!) USER MOD Single : A 27 ASN : amide:sc= -1.33! K(o=-1.3!,f=-2.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.654) USER MOD Single : A 42 MET CE :methyl -177:sc= -5.24! (180deg=-5.39!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.201) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -24:sc= -0.0439! USER MOD Single : A 67 MET CE :methyl -103:sc= -1.43 (180deg=-3.4!) USER MOD Single : A 69 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -16.684 -9.724 11.618 1.00 0.00 N ATOM 2 CA SER A 2 -16.933 -10.620 10.495 1.00 0.00 C ATOM 3 C SER A 2 -15.638 -11.280 10.031 1.00 0.00 C ATOM 4 O SER A 2 -15.405 -12.461 10.289 1.00 0.00 O ATOM 5 CB SER A 2 -17.573 -9.855 9.336 1.00 0.00 C ATOM 6 OG SER A 2 -16.748 -8.782 8.915 1.00 0.00 O ATOM 0 HA SER A 2 -17.619 -11.399 10.828 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.747 -10.533 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.546 -9.471 9.643 1.00 0.00 H new ATOM 0 HG SER A 2 -17.179 -8.310 8.172 1.00 0.00 H new ATOM 12 N HIS A 3 -14.801 -10.509 9.341 1.00 0.00 N ATOM 13 CA HIS A 3 -13.526 -11.017 8.833 1.00 0.00 C ATOM 14 C HIS A 3 -12.782 -11.824 9.903 1.00 0.00 C ATOM 15 O HIS A 3 -12.966 -13.036 10.009 1.00 0.00 O ATOM 16 CB HIS A 3 -12.643 -9.867 8.319 1.00 0.00 C ATOM 17 CG HIS A 3 -12.865 -8.556 9.014 1.00 0.00 C ATOM 18 ND1 HIS A 3 -13.297 -8.274 10.268 1.00 0.00 N flip ATOM 19 CD2 HIS A 3 -12.639 -7.337 8.409 1.00 0.00 C flip ATOM 20 CE1 HIS A 3 -13.321 -6.907 10.394 1.00 0.00 C flip ATOM 21 NE2 HIS A 3 -12.919 -6.365 9.258 1.00 0.00 N flip ATOM 0 H HIS A 3 -14.981 -9.530 9.120 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.747 -11.683 7.999 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.597 -10.151 8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.825 -9.734 7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.287 -7.199 7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.620 -6.363 11.278 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.839 -5.366 9.069 1.00 0.00 H new ATOM 30 N MET A 4 -11.946 -11.153 10.693 1.00 0.00 N ATOM 31 CA MET A 4 -11.190 -11.821 11.746 1.00 0.00 C ATOM 32 C MET A 4 -10.340 -10.821 12.525 1.00 0.00 C ATOM 33 O MET A 4 -9.842 -9.847 11.961 1.00 0.00 O ATOM 34 CB MET A 4 -10.296 -12.912 11.150 1.00 0.00 C ATOM 35 CG MET A 4 -9.439 -12.431 9.991 1.00 0.00 C ATOM 36 SD MET A 4 -10.166 -12.811 8.384 1.00 0.00 S ATOM 37 CE MET A 4 -9.714 -14.535 8.208 1.00 0.00 C ATOM 0 H MET A 4 -11.776 -10.150 10.623 1.00 0.00 H new ATOM 0 HA MET A 4 -11.901 -12.279 12.433 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.647 -13.305 11.932 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.922 -13.737 10.810 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.294 -11.354 10.074 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.453 -12.892 10.058 1.00 0.00 H new ATOM 0 HE1 MET A 4 -10.094 -14.916 7.260 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.628 -14.630 8.229 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.145 -15.110 9.028 1.00 0.00 H new ATOM 47 N PRO A 5 -10.162 -11.048 13.838 1.00 0.00 N ATOM 48 CA PRO A 5 -9.369 -10.165 14.694 1.00 0.00 C ATOM 49 C PRO A 5 -7.870 -10.421 14.556 1.00 0.00 C ATOM 50 O PRO A 5 -7.233 -10.938 15.474 1.00 0.00 O ATOM 51 CB PRO A 5 -9.854 -10.536 16.097 1.00 0.00 C ATOM 52 CG PRO A 5 -10.182 -11.986 15.990 1.00 0.00 C ATOM 53 CD PRO A 5 -10.719 -12.189 14.595 1.00 0.00 C ATOM 0 HA PRO A 5 -9.497 -9.112 14.443 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.084 -10.355 16.847 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.726 -9.949 16.387 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.298 -12.600 16.161 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.920 -12.275 16.738 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.398 -13.143 14.177 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.809 -12.186 14.581 1.00 0.00 H new ATOM 61 N LYS A 6 -7.308 -10.054 13.405 1.00 0.00 N ATOM 62 CA LYS A 6 -5.880 -10.244 13.154 1.00 0.00 C ATOM 63 C LYS A 6 -5.055 -9.194 13.895 1.00 0.00 C ATOM 64 O LYS A 6 -4.224 -8.504 13.303 1.00 0.00 O ATOM 65 CB LYS A 6 -5.592 -10.175 11.652 1.00 0.00 C ATOM 66 CG LYS A 6 -5.942 -11.452 10.906 1.00 0.00 C ATOM 67 CD LYS A 6 -5.254 -11.514 9.553 1.00 0.00 C ATOM 68 CE LYS A 6 -6.114 -12.225 8.521 1.00 0.00 C ATOM 69 NZ LYS A 6 -5.860 -11.722 7.143 1.00 0.00 N ATOM 0 H LYS A 6 -7.818 -9.624 12.633 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.597 -11.229 13.524 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.154 -9.347 11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.535 -9.955 11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.650 -12.315 11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.022 -11.510 10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.033 -10.503 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.300 -12.032 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.915 -13.296 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.166 -12.088 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.466 -12.233 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.074 -10.705 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.862 -11.876 6.896 1.00 0.00 H new ATOM 83 N ARG A 7 -5.303 -9.079 15.195 1.00 0.00 N ATOM 84 CA ARG A 7 -4.611 -8.120 16.048 1.00 0.00 C ATOM 85 C ARG A 7 -4.585 -6.719 15.452 1.00 0.00 C ATOM 86 O ARG A 7 -3.777 -5.885 15.858 1.00 0.00 O ATOM 87 CB ARG A 7 -3.189 -8.580 16.356 1.00 0.00 C ATOM 88 CG ARG A 7 -2.627 -7.955 17.623 1.00 0.00 C ATOM 89 CD ARG A 7 -1.127 -7.737 17.522 1.00 0.00 C ATOM 90 NE ARG A 7 -0.799 -6.389 17.065 1.00 0.00 N ATOM 91 CZ ARG A 7 0.419 -6.012 16.681 1.00 0.00 C ATOM 92 NH1 ARG A 7 1.424 -6.878 16.694 1.00 0.00 N ATOM 93 NH2 ARG A 7 0.631 -4.766 16.281 1.00 0.00 N ATOM 0 H ARG A 7 -5.991 -9.649 15.688 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.180 -8.073 16.977 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.177 -9.665 16.456 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.542 -8.330 15.515 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.122 -7.002 17.809 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.845 -8.599 18.475 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.669 -7.911 18.496 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.700 -8.467 16.834 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.547 -5.696 17.038 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.266 -7.838 16.999 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.355 -6.583 16.399 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.139 -4.097 16.268 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.564 -4.477 15.987 1.00 0.00 H new ATOM 107 N ALA A 8 -5.475 -6.452 14.505 1.00 0.00 N ATOM 108 CA ALA A 8 -5.553 -5.139 13.880 1.00 0.00 C ATOM 109 C ALA A 8 -4.360 -4.845 12.986 1.00 0.00 C ATOM 110 O ALA A 8 -3.314 -5.488 13.080 1.00 0.00 O ATOM 111 CB ALA A 8 -5.701 -4.067 14.938 1.00 0.00 C ATOM 0 H ALA A 8 -6.153 -7.128 14.153 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.434 -5.139 13.238 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.758 -3.089 14.460 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.611 -4.245 15.511 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.840 -4.094 15.606 1.00 0.00 H new ATOM 117 N THR A 9 -4.554 -3.886 12.091 1.00 0.00 N ATOM 118 CA THR A 9 -3.539 -3.495 11.124 1.00 0.00 C ATOM 119 C THR A 9 -2.881 -2.160 11.484 1.00 0.00 C ATOM 120 O THR A 9 -3.566 -1.177 11.744 1.00 0.00 O ATOM 121 CB THR A 9 -4.205 -3.387 9.758 1.00 0.00 C ATOM 122 OG1 THR A 9 -5.388 -4.167 9.711 1.00 0.00 O ATOM 123 CG2 THR A 9 -3.324 -3.836 8.634 1.00 0.00 C ATOM 0 H THR A 9 -5.422 -3.356 12.015 1.00 0.00 H new ATOM 0 HA THR A 9 -2.751 -4.248 11.121 1.00 0.00 H new ATOM 0 HB THR A 9 -4.425 -2.327 9.628 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.801 -4.082 8.826 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.858 -3.734 7.690 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.424 -3.222 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.048 -4.880 8.783 1.00 0.00 H new ATOM 131 N THR A 10 -1.546 -2.134 11.497 1.00 0.00 N ATOM 132 CA THR A 10 -0.799 -0.927 11.826 1.00 0.00 C ATOM 133 C THR A 10 -1.073 0.174 10.829 1.00 0.00 C ATOM 134 O THR A 10 -1.392 -0.086 9.670 1.00 0.00 O ATOM 135 CB THR A 10 0.703 -1.226 11.871 1.00 0.00 C ATOM 136 OG1 THR A 10 0.960 -2.572 11.514 1.00 0.00 O ATOM 137 CG2 THR A 10 1.318 -0.989 13.234 1.00 0.00 C ATOM 0 H THR A 10 -0.962 -2.942 11.282 1.00 0.00 H new ATOM 0 HA THR A 10 -1.127 -0.589 12.809 1.00 0.00 H new ATOM 0 HB THR A 10 1.155 -0.536 11.158 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.925 -2.741 11.548 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.383 -1.219 13.198 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.182 0.054 13.518 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.833 -1.631 13.969 1.00 0.00 H new ATOM 145 N ALA A 11 -0.924 1.411 11.290 1.00 0.00 N ATOM 146 CA ALA A 11 -1.124 2.574 10.446 1.00 0.00 C ATOM 147 C ALA A 11 -0.464 2.328 9.108 1.00 0.00 C ATOM 148 O ALA A 11 -1.027 2.609 8.052 1.00 0.00 O ATOM 149 CB ALA A 11 -0.538 3.811 11.108 1.00 0.00 C ATOM 0 H ALA A 11 -0.663 1.631 12.251 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.191 2.742 10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.695 4.677 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.029 3.978 12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.530 3.666 11.268 1.00 0.00 H new ATOM 155 N PHE A 12 0.748 1.799 9.179 1.00 0.00 N ATOM 156 CA PHE A 12 1.536 1.499 7.996 1.00 0.00 C ATOM 157 C PHE A 12 0.950 0.333 7.220 1.00 0.00 C ATOM 158 O PHE A 12 1.061 0.268 5.999 1.00 0.00 O ATOM 159 CB PHE A 12 2.955 1.145 8.417 1.00 0.00 C ATOM 160 CG PHE A 12 3.974 1.355 7.335 1.00 0.00 C ATOM 161 CD1 PHE A 12 4.010 0.516 6.233 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.904 2.379 7.424 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.951 0.696 5.239 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.849 2.560 6.434 1.00 0.00 C ATOM 165 CZ PHE A 12 5.873 1.716 5.341 1.00 0.00 C ATOM 0 H PHE A 12 1.211 1.566 10.057 1.00 0.00 H new ATOM 0 HA PHE A 12 1.532 2.379 7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.229 1.747 9.284 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.982 0.102 8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.294 -0.288 6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.889 3.042 8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.965 0.038 4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.569 3.361 6.514 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.613 1.855 4.567 1.00 0.00 H new ATOM 175 N MET A 13 0.342 -0.595 7.934 1.00 0.00 N ATOM 176 CA MET A 13 -0.237 -1.755 7.307 1.00 0.00 C ATOM 177 C MET A 13 -1.573 -1.400 6.697 1.00 0.00 C ATOM 178 O MET A 13 -1.752 -1.499 5.486 1.00 0.00 O ATOM 179 CB MET A 13 -0.397 -2.891 8.316 1.00 0.00 C ATOM 180 CG MET A 13 0.926 -3.466 8.799 1.00 0.00 C ATOM 181 SD MET A 13 1.978 -4.035 7.446 1.00 0.00 S ATOM 182 CE MET A 13 0.757 -4.693 6.311 1.00 0.00 C ATOM 0 H MET A 13 0.239 -0.563 8.948 1.00 0.00 H new ATOM 0 HA MET A 13 0.433 -2.094 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.961 -2.526 9.175 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.986 -3.688 7.863 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.459 -2.708 9.373 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.730 -4.298 9.475 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.242 -5.368 5.606 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.004 -5.238 6.870 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.289 -3.874 5.765 1.00 0.00 H new ATOM 192 N LEU A 14 -2.528 -1.020 7.536 1.00 0.00 N ATOM 193 CA LEU A 14 -3.855 -0.699 7.057 1.00 0.00 C ATOM 194 C LEU A 14 -3.831 0.282 5.891 1.00 0.00 C ATOM 195 O LEU A 14 -4.717 0.249 5.035 1.00 0.00 O ATOM 196 CB LEU A 14 -4.766 -0.274 8.234 1.00 0.00 C ATOM 197 CG LEU A 14 -4.957 1.214 8.581 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.079 1.579 9.748 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.706 2.162 7.431 1.00 0.00 C ATOM 0 H LEU A 14 -2.404 -0.929 8.544 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.300 -1.600 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.755 -0.688 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.385 -0.766 9.129 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.010 1.331 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.216 2.633 9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.348 0.969 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.036 1.400 9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.863 3.188 7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.680 2.047 7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.394 1.936 6.616 1.00 0.00 H new ATOM 211 N TRP A 15 -2.811 1.133 5.830 1.00 0.00 N ATOM 212 CA TRP A 15 -2.705 2.077 4.726 1.00 0.00 C ATOM 213 C TRP A 15 -1.976 1.413 3.581 1.00 0.00 C ATOM 214 O TRP A 15 -2.380 1.515 2.426 1.00 0.00 O ATOM 215 CB TRP A 15 -1.961 3.352 5.122 1.00 0.00 C ATOM 216 CG TRP A 15 -1.137 3.904 3.994 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.513 4.848 3.082 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.197 3.519 3.645 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.492 5.072 2.188 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.570 4.265 2.512 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.116 2.615 4.183 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.825 4.123 1.913 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.351 2.488 3.579 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.683 3.233 2.466 1.00 0.00 C ATOM 0 H TRP A 15 -2.060 1.188 6.518 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.715 2.363 4.434 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.680 4.104 5.446 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.314 3.143 5.974 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.471 5.346 3.065 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.520 5.731 1.410 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.866 2.027 5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.100 4.701 1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.071 1.793 3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.659 3.102 2.022 1.00 0.00 H new ATOM 235 N LEU A 16 -0.912 0.697 3.922 1.00 0.00 N ATOM 236 CA LEU A 16 -0.154 -0.013 2.918 1.00 0.00 C ATOM 237 C LEU A 16 -0.988 -1.138 2.362 1.00 0.00 C ATOM 238 O LEU A 16 -0.628 -1.737 1.384 1.00 0.00 O ATOM 239 CB LEU A 16 1.136 -0.605 3.467 1.00 0.00 C ATOM 240 CG LEU A 16 1.903 -1.442 2.443 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.492 -0.542 1.380 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.991 -2.263 3.118 1.00 0.00 C ATOM 0 H LEU A 16 -0.563 0.597 4.875 1.00 0.00 H new ATOM 0 HA LEU A 16 0.105 0.711 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.777 0.203 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.903 -1.226 4.332 1.00 0.00 H new ATOM 0 HG LEU A 16 1.208 -2.136 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.037 -1.145 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.691 -0.002 0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.173 0.171 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.522 -2.850 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.692 -1.596 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.540 -2.933 3.850 1.00 0.00 H new ATOM 254 N ASN A 17 -2.095 -1.423 3.003 1.00 0.00 N ATOM 255 CA ASN A 17 -2.972 -2.482 2.575 1.00 0.00 C ATOM 256 C ASN A 17 -3.775 -2.031 1.359 1.00 0.00 C ATOM 257 O ASN A 17 -3.729 -2.630 0.252 1.00 0.00 O ATOM 258 CB ASN A 17 -3.915 -2.797 3.750 1.00 0.00 C ATOM 259 CG ASN A 17 -3.861 -4.244 4.188 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.710 -5.152 3.371 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.987 -4.460 5.492 1.00 0.00 N ATOM 0 H ASN A 17 -2.412 -0.927 3.836 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.404 -3.368 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.657 -2.159 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.937 -2.549 3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.961 -5.412 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.110 -3.673 6.130 1.00 0.00 H new ATOM 268 N ASP A 18 -4.408 -0.888 1.556 1.00 0.00 N ATOM 269 CA ASP A 18 -5.180 -0.249 0.523 1.00 0.00 C ATOM 270 C ASP A 18 -4.265 0.326 -0.531 1.00 0.00 C ATOM 271 O ASP A 18 -4.663 0.495 -1.684 1.00 0.00 O ATOM 272 CB ASP A 18 -6.063 0.850 1.114 1.00 0.00 C ATOM 273 CG ASP A 18 -7.334 1.063 0.316 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.243 1.567 -0.824 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.421 0.726 0.829 1.00 0.00 O ATOM 0 H ASP A 18 -4.397 -0.381 2.441 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.824 -0.997 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.321 0.592 2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.501 1.783 1.152 1.00 0.00 H new ATOM 280 N THR A 19 -3.035 0.627 -0.140 1.00 0.00 N ATOM 281 CA THR A 19 -2.065 1.178 -1.050 1.00 0.00 C ATOM 282 C THR A 19 -1.077 0.119 -1.488 1.00 0.00 C ATOM 283 O THR A 19 -0.474 0.252 -2.535 1.00 0.00 O ATOM 284 CB THR A 19 -1.350 2.333 -0.370 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.679 3.567 -0.983 1.00 0.00 O ATOM 286 CG2 THR A 19 0.158 2.213 -0.349 1.00 0.00 C ATOM 0 H THR A 19 -2.692 0.494 0.811 1.00 0.00 H new ATOM 0 HA THR A 19 -2.573 1.542 -1.943 1.00 0.00 H new ATOM 0 HB THR A 19 -1.700 2.296 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.208 4.295 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.585 3.080 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.443 1.306 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.534 2.166 -1.371 1.00 0.00 H new ATOM 294 N ARG A 20 -0.916 -0.944 -0.696 1.00 0.00 N ATOM 295 CA ARG A 20 0.007 -2.016 -1.069 1.00 0.00 C ATOM 296 C ARG A 20 -0.351 -2.453 -2.447 1.00 0.00 C ATOM 297 O ARG A 20 0.504 -2.777 -3.272 1.00 0.00 O ATOM 298 CB ARG A 20 -0.078 -3.223 -0.123 1.00 0.00 C ATOM 299 CG ARG A 20 -0.057 -4.557 -0.841 1.00 0.00 C ATOM 300 CD ARG A 20 0.306 -5.695 0.098 1.00 0.00 C ATOM 301 NE ARG A 20 -0.789 -6.025 1.008 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.850 -7.150 1.718 1.00 0.00 C ATOM 303 NH1 ARG A 20 0.117 -8.053 1.626 1.00 0.00 N ATOM 304 NH2 ARG A 20 -1.881 -7.370 2.523 1.00 0.00 N ATOM 0 H ARG A 20 -1.402 -1.084 0.190 1.00 0.00 H new ATOM 0 HA ARG A 20 1.026 -1.635 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.755 -3.184 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.993 -3.150 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.035 -4.748 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.661 -4.518 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.570 -6.577 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.188 -5.420 0.677 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.551 -5.354 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.912 -7.887 1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.065 -8.913 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.626 -6.678 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.928 -8.231 3.067 1.00 0.00 H new ATOM 318 N GLU A 21 -1.637 -2.414 -2.694 1.00 0.00 N ATOM 319 CA GLU A 21 -2.122 -2.769 -4.018 1.00 0.00 C ATOM 320 C GLU A 21 -1.667 -1.699 -5.014 1.00 0.00 C ATOM 321 O GLU A 21 -1.321 -1.981 -6.168 1.00 0.00 O ATOM 322 CB GLU A 21 -3.651 -2.894 -4.023 1.00 0.00 C ATOM 323 CG GLU A 21 -4.376 -1.562 -3.920 1.00 0.00 C ATOM 324 CD GLU A 21 -5.813 -1.713 -3.460 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.350 -2.837 -3.553 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.400 -0.708 -3.008 1.00 0.00 O ATOM 0 H GLU A 21 -2.356 -2.148 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.711 -3.737 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.962 -3.396 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.957 -3.529 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.842 -0.915 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.360 -1.068 -4.891 1.00 0.00 H new ATOM 333 N SER A 22 -1.698 -0.461 -4.540 1.00 0.00 N ATOM 334 CA SER A 22 -1.336 0.689 -5.355 1.00 0.00 C ATOM 335 C SER A 22 0.161 0.755 -5.621 1.00 0.00 C ATOM 336 O SER A 22 0.600 1.344 -6.602 1.00 0.00 O ATOM 337 CB SER A 22 -1.800 1.982 -4.681 1.00 0.00 C ATOM 338 OG SER A 22 -3.189 2.186 -4.870 1.00 0.00 O ATOM 0 H SER A 22 -1.973 -0.227 -3.586 1.00 0.00 H new ATOM 0 HA SER A 22 -1.838 0.575 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.577 1.940 -3.615 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.246 2.827 -5.089 1.00 0.00 H new ATOM 0 HG SER A 22 -3.461 3.018 -4.428 1.00 0.00 H new ATOM 344 N ILE A 23 0.929 0.159 -4.728 1.00 0.00 N ATOM 345 CA ILE A 23 2.375 0.159 -4.836 1.00 0.00 C ATOM 346 C ILE A 23 2.844 -0.802 -5.901 1.00 0.00 C ATOM 347 O ILE A 23 3.768 -0.503 -6.659 1.00 0.00 O ATOM 348 CB ILE A 23 3.029 -0.211 -3.503 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.251 0.444 -2.359 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.493 0.205 -3.511 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.094 0.882 -1.181 1.00 0.00 C ATOM 0 H ILE A 23 0.570 -0.336 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 23 2.673 1.170 -5.112 1.00 0.00 H new ATOM 0 HB ILE A 23 2.999 -1.291 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.721 1.313 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.495 -0.257 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.952 -0.061 -2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.013 -0.308 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.564 1.283 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.454 1.334 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.604 0.017 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.833 1.611 -1.513 1.00 0.00 H new ATOM 363 N LYS A 24 2.213 -1.960 -5.965 1.00 0.00 N ATOM 364 CA LYS A 24 2.592 -2.937 -6.955 1.00 0.00 C ATOM 365 C LYS A 24 2.179 -2.462 -8.347 1.00 0.00 C ATOM 366 O LYS A 24 2.799 -2.825 -9.345 1.00 0.00 O ATOM 367 CB LYS A 24 1.998 -4.304 -6.634 1.00 0.00 C ATOM 368 CG LYS A 24 3.008 -5.436 -6.727 1.00 0.00 C ATOM 369 CD LYS A 24 3.647 -5.730 -5.377 1.00 0.00 C ATOM 370 CE LYS A 24 3.188 -7.070 -4.821 1.00 0.00 C ATOM 371 NZ LYS A 24 4.338 -7.948 -4.465 1.00 0.00 N ATOM 0 H LYS A 24 1.448 -2.240 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 24 3.676 -3.045 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.578 -4.283 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.174 -4.504 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.515 -6.334 -7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.783 -5.175 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.732 -5.730 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.394 -4.937 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.571 -6.904 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.562 -7.573 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.546 -8.586 -5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.173 -7.362 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.098 -8.510 -3.623 1.00 0.00 H new ATOM 385 N ARG A 25 1.144 -1.619 -8.408 1.00 0.00 N ATOM 386 CA ARG A 25 0.688 -1.070 -9.687 1.00 0.00 C ATOM 387 C ARG A 25 1.752 -0.119 -10.235 1.00 0.00 C ATOM 388 O ARG A 25 2.172 -0.218 -11.388 1.00 0.00 O ATOM 389 CB ARG A 25 -0.638 -0.320 -9.508 1.00 0.00 C ATOM 390 CG ARG A 25 -1.849 -1.086 -10.013 1.00 0.00 C ATOM 391 CD ARG A 25 -2.158 -2.280 -9.127 1.00 0.00 C ATOM 392 NE ARG A 25 -1.040 -3.215 -9.073 1.00 0.00 N ATOM 393 CZ ARG A 25 -0.795 -4.131 -10.011 1.00 0.00 C ATOM 394 NH1 ARG A 25 -1.596 -4.242 -11.063 1.00 0.00 N ATOM 395 NH2 ARG A 25 0.253 -4.936 -9.900 1.00 0.00 N ATOM 0 H ARG A 25 0.612 -1.305 -7.596 1.00 0.00 H new ATOM 0 HA ARG A 25 0.529 -1.889 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.777 -0.095 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.579 0.634 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.713 -0.422 -10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.668 -1.425 -11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.393 -1.935 -8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.043 -2.793 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.410 -3.166 -8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.403 -3.625 -11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.405 -4.944 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.875 -4.856 -9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.437 -5.635 -10.619 1.00 0.00 H new ATOM 409 N GLU A 26 2.186 0.786 -9.367 1.00 0.00 N ATOM 410 CA GLU A 26 3.218 1.756 -9.715 1.00 0.00 C ATOM 411 C GLU A 26 4.542 1.036 -9.926 1.00 0.00 C ATOM 412 O GLU A 26 5.488 1.598 -10.478 1.00 0.00 O ATOM 413 CB GLU A 26 3.373 2.853 -8.652 1.00 0.00 C ATOM 414 CG GLU A 26 2.930 2.450 -7.257 1.00 0.00 C ATOM 415 CD GLU A 26 3.777 3.085 -6.171 1.00 0.00 C ATOM 416 OE1 GLU A 26 4.971 3.346 -6.426 1.00 0.00 O ATOM 417 OE2 GLU A 26 3.245 3.323 -5.066 1.00 0.00 O ATOM 0 H GLU A 26 1.838 0.869 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 26 2.911 2.249 -10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.419 3.157 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.799 3.726 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.888 2.736 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.979 1.365 -7.163 1.00 0.00 H new ATOM 424 N ASN A 27 4.592 -0.226 -9.498 1.00 0.00 N ATOM 425 CA ASN A 27 5.781 -1.035 -9.658 1.00 0.00 C ATOM 426 C ASN A 27 5.393 -2.498 -9.855 1.00 0.00 C ATOM 427 O ASN A 27 5.471 -3.302 -8.925 1.00 0.00 O ATOM 428 CB ASN A 27 6.706 -0.878 -8.452 1.00 0.00 C ATOM 429 CG ASN A 27 6.825 0.563 -7.996 1.00 0.00 C ATOM 430 OD1 ASN A 27 7.853 1.208 -8.202 1.00 0.00 O ATOM 431 ND2 ASN A 27 5.772 1.075 -7.371 1.00 0.00 N ATOM 0 H ASN A 27 3.816 -0.703 -9.038 1.00 0.00 H new ATOM 0 HA ASN A 27 6.321 -0.695 -10.542 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.331 -1.486 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.696 -1.259 -8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.795 2.040 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.940 0.504 -7.222 1.00 0.00 H new ATOM 438 N PRO A 28 4.948 -2.858 -11.075 1.00 0.00 N ATOM 439 CA PRO A 28 4.520 -4.226 -11.400 1.00 0.00 C ATOM 440 C PRO A 28 5.684 -5.202 -11.553 1.00 0.00 C ATOM 441 O PRO A 28 5.745 -5.963 -12.517 1.00 0.00 O ATOM 442 CB PRO A 28 3.791 -4.056 -12.732 1.00 0.00 C ATOM 443 CG PRO A 28 4.434 -2.869 -13.361 1.00 0.00 C ATOM 444 CD PRO A 28 4.808 -1.950 -12.231 1.00 0.00 C ATOM 0 HA PRO A 28 3.909 -4.653 -10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.896 -4.942 -13.358 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.723 -3.896 -12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.314 -3.160 -13.934 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.751 -2.377 -14.054 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.737 -1.418 -12.438 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.041 -1.196 -12.057 1.00 0.00 H new ATOM 452 N GLY A 29 6.601 -5.178 -10.595 1.00 0.00 N ATOM 453 CA GLY A 29 7.744 -6.068 -10.638 1.00 0.00 C ATOM 454 C GLY A 29 8.550 -6.039 -9.352 1.00 0.00 C ATOM 455 O GLY A 29 9.703 -6.470 -9.326 1.00 0.00 O ATOM 0 H GLY A 29 6.573 -4.556 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.402 -7.086 -10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.387 -5.789 -11.473 1.00 0.00 H new ATOM 459 N ILE A 30 7.948 -5.519 -8.284 1.00 0.00 N ATOM 460 CA ILE A 30 8.624 -5.430 -7.009 1.00 0.00 C ATOM 461 C ILE A 30 8.429 -6.693 -6.185 1.00 0.00 C ATOM 462 O ILE A 30 8.320 -7.795 -6.721 1.00 0.00 O ATOM 463 CB ILE A 30 8.153 -4.195 -6.205 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.734 -4.379 -5.641 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.211 -2.971 -7.080 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.180 -3.136 -4.971 1.00 0.00 C ATOM 0 H ILE A 30 6.995 -5.156 -8.285 1.00 0.00 H new ATOM 0 HA ILE A 30 9.687 -5.319 -7.221 1.00 0.00 H new ATOM 0 HB ILE A 30 8.824 -4.073 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.066 -4.674 -6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.742 -5.197 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.879 -2.102 -6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.235 -2.814 -7.418 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.561 -3.110 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.177 -3.340 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.826 -2.852 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.139 -2.321 -5.693 1.00 0.00 H new ATOM 478 N LYS A 31 8.403 -6.514 -4.880 1.00 0.00 N ATOM 479 CA LYS A 31 8.242 -7.584 -3.953 1.00 0.00 C ATOM 480 C LYS A 31 7.571 -7.065 -2.704 1.00 0.00 C ATOM 481 O LYS A 31 7.711 -5.901 -2.337 1.00 0.00 O ATOM 482 CB LYS A 31 9.609 -8.185 -3.637 1.00 0.00 C ATOM 483 CG LYS A 31 10.491 -7.297 -2.771 1.00 0.00 C ATOM 484 CD LYS A 31 11.781 -8.002 -2.384 1.00 0.00 C ATOM 485 CE LYS A 31 11.515 -9.191 -1.474 1.00 0.00 C ATOM 486 NZ LYS A 31 12.622 -9.402 -0.500 1.00 0.00 N ATOM 0 H LYS A 31 8.496 -5.599 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 31 7.613 -8.365 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.466 -9.141 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.128 -8.393 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.724 -6.378 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.948 -7.010 -1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.297 -8.339 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.444 -7.299 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.581 -9.034 -0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.386 -10.089 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.345 -10.132 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.476 -9.710 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.819 -8.512 0.000 1.00 0.00 H new ATOM 500 N VAL A 32 6.858 -7.952 -2.064 1.00 0.00 N ATOM 501 CA VAL A 32 6.145 -7.673 -0.834 1.00 0.00 C ATOM 502 C VAL A 32 6.909 -6.707 0.077 1.00 0.00 C ATOM 503 O VAL A 32 6.317 -5.925 0.820 1.00 0.00 O ATOM 504 CB VAL A 32 5.922 -9.003 -0.089 1.00 0.00 C ATOM 505 CG1 VAL A 32 6.598 -10.151 -0.825 1.00 0.00 C ATOM 506 CG2 VAL A 32 6.430 -8.934 1.337 1.00 0.00 C ATOM 0 H VAL A 32 6.750 -8.914 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 32 5.198 -7.197 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 32 4.847 -9.183 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.428 -11.081 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.181 -10.235 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.669 -9.960 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.256 -9.890 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.498 -8.717 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.902 -8.146 1.874 1.00 0.00 H new ATOM 516 N THR A 33 8.226 -6.808 0.027 1.00 0.00 N ATOM 517 CA THR A 33 9.107 -5.987 0.863 1.00 0.00 C ATOM 518 C THR A 33 9.349 -4.595 0.279 1.00 0.00 C ATOM 519 O THR A 33 9.591 -3.636 1.019 1.00 0.00 O ATOM 520 CB THR A 33 10.447 -6.696 1.067 1.00 0.00 C ATOM 521 OG1 THR A 33 11.249 -6.597 -0.096 1.00 0.00 O ATOM 522 CG2 THR A 33 10.304 -8.165 1.403 1.00 0.00 C ATOM 0 H THR A 33 8.720 -7.455 -0.588 1.00 0.00 H new ATOM 0 HA THR A 33 8.601 -5.855 1.819 1.00 0.00 H new ATOM 0 HB THR A 33 10.914 -6.191 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.195 -6.597 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.292 -8.606 1.534 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.733 -8.273 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.784 -8.675 0.592 1.00 0.00 H new ATOM 530 N GLU A 34 9.249 -4.468 -1.036 1.00 0.00 N ATOM 531 CA GLU A 34 9.432 -3.175 -1.677 1.00 0.00 C ATOM 532 C GLU A 34 8.190 -2.326 -1.458 1.00 0.00 C ATOM 533 O GLU A 34 8.266 -1.107 -1.358 1.00 0.00 O ATOM 534 CB GLU A 34 9.709 -3.354 -3.174 1.00 0.00 C ATOM 535 CG GLU A 34 9.373 -2.134 -4.026 1.00 0.00 C ATOM 536 CD GLU A 34 10.471 -1.791 -5.014 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.647 -2.098 -4.724 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.156 -1.216 -6.076 1.00 0.00 O ATOM 0 H GLU A 34 9.044 -5.237 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 34 10.291 -2.671 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.763 -3.598 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.135 -4.206 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.446 -2.319 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.196 -1.278 -3.374 1.00 0.00 H new ATOM 545 N ILE A 35 7.048 -2.990 -1.386 1.00 0.00 N ATOM 546 CA ILE A 35 5.790 -2.313 -1.173 1.00 0.00 C ATOM 547 C ILE A 35 5.812 -1.634 0.180 1.00 0.00 C ATOM 548 O ILE A 35 5.396 -0.484 0.332 1.00 0.00 O ATOM 549 CB ILE A 35 4.611 -3.307 -1.214 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.653 -4.149 -2.488 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.286 -2.574 -1.110 1.00 0.00 C ATOM 552 CD1 ILE A 35 3.964 -5.486 -2.344 1.00 0.00 C ATOM 0 H ILE A 35 6.972 -4.003 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 35 5.656 -1.579 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 35 4.705 -3.975 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.184 -3.592 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.692 -4.313 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.468 -3.294 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.248 -2.022 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.189 -1.878 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.031 -6.033 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.448 -6.061 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.916 -5.330 -2.089 1.00 0.00 H new ATOM 564 N ALA A 36 6.300 -2.373 1.164 1.00 0.00 N ATOM 565 CA ALA A 36 6.372 -1.880 2.519 1.00 0.00 C ATOM 566 C ALA A 36 7.402 -0.766 2.691 1.00 0.00 C ATOM 567 O ALA A 36 7.291 0.041 3.611 1.00 0.00 O ATOM 568 CB ALA A 36 6.668 -3.023 3.479 1.00 0.00 C ATOM 0 H ALA A 36 6.653 -3.322 1.042 1.00 0.00 H new ATOM 0 HA ALA A 36 5.398 -1.448 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.720 -2.638 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.876 -3.768 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.621 -3.482 3.216 1.00 0.00 H new ATOM 574 N LYS A 37 8.412 -0.727 1.827 1.00 0.00 N ATOM 575 CA LYS A 37 9.452 0.294 1.936 1.00 0.00 C ATOM 576 C LYS A 37 9.140 1.519 1.079 1.00 0.00 C ATOM 577 O LYS A 37 9.131 2.658 1.571 1.00 0.00 O ATOM 578 CB LYS A 37 10.807 -0.289 1.530 1.00 0.00 C ATOM 579 CG LYS A 37 11.961 0.689 1.677 1.00 0.00 C ATOM 580 CD LYS A 37 13.216 0.176 0.990 1.00 0.00 C ATOM 581 CE LYS A 37 14.085 1.319 0.491 1.00 0.00 C ATOM 582 NZ LYS A 37 15.035 0.875 -0.566 1.00 0.00 N ATOM 0 H LYS A 37 8.533 -1.380 1.053 1.00 0.00 H new ATOM 0 HA LYS A 37 9.487 0.615 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.010 -1.171 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.754 -0.621 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.680 1.652 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.166 0.856 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.787 -0.440 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.938 -0.464 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.450 2.113 0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.643 1.742 1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.609 1.684 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.658 0.135 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.502 0.495 -1.374 1.00 0.00 H new ATOM 596 N LYS A 38 8.873 1.285 -0.202 1.00 0.00 N ATOM 597 CA LYS A 38 8.561 2.359 -1.123 1.00 0.00 C ATOM 598 C LYS A 38 7.226 3.008 -0.771 1.00 0.00 C ATOM 599 O LYS A 38 6.898 4.084 -1.269 1.00 0.00 O ATOM 600 CB LYS A 38 8.560 1.818 -2.561 1.00 0.00 C ATOM 601 CG LYS A 38 7.249 1.994 -3.313 1.00 0.00 C ATOM 602 CD LYS A 38 7.130 3.393 -3.892 1.00 0.00 C ATOM 603 CE LYS A 38 7.618 3.444 -5.330 1.00 0.00 C ATOM 604 NZ LYS A 38 7.153 4.674 -6.031 1.00 0.00 N ATOM 0 H LYS A 38 8.868 0.355 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 38 9.325 3.132 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.352 2.315 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.806 0.757 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.186 1.259 -4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.413 1.804 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.091 3.719 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.709 4.089 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.707 3.407 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.262 2.564 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.824 4.917 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.213 4.505 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.098 5.460 -5.353 1.00 0.00 H new ATOM 618 N GLY A 39 6.469 2.362 0.107 1.00 0.00 N ATOM 619 CA GLY A 39 5.210 2.916 0.514 1.00 0.00 C ATOM 620 C GLY A 39 5.384 3.835 1.701 1.00 0.00 C ATOM 621 O GLY A 39 4.842 4.936 1.741 1.00 0.00 O ATOM 0 H GLY A 39 6.710 1.469 0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.765 3.466 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.520 2.112 0.770 1.00 0.00 H new ATOM 625 N GLY A 40 6.159 3.384 2.669 1.00 0.00 N ATOM 626 CA GLY A 40 6.412 4.183 3.852 1.00 0.00 C ATOM 627 C GLY A 40 6.853 5.582 3.496 1.00 0.00 C ATOM 628 O GLY A 40 6.387 6.559 4.081 1.00 0.00 O ATOM 0 H GLY A 40 6.621 2.475 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.508 4.230 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.180 3.703 4.459 1.00 0.00 H new ATOM 632 N GLU A 41 7.749 5.679 2.521 1.00 0.00 N ATOM 633 CA GLU A 41 8.243 6.976 2.073 1.00 0.00 C ATOM 634 C GLU A 41 7.081 7.884 1.676 1.00 0.00 C ATOM 635 O GLU A 41 7.038 9.058 2.045 1.00 0.00 O ATOM 636 CB GLU A 41 9.181 6.797 0.884 1.00 0.00 C ATOM 637 CG GLU A 41 8.551 6.012 -0.254 1.00 0.00 C ATOM 638 CD GLU A 41 9.523 5.736 -1.384 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.574 5.113 -1.124 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.234 6.143 -2.529 1.00 0.00 O ATOM 0 H GLU A 41 8.147 4.880 2.028 1.00 0.00 H new ATOM 0 HA GLU A 41 8.787 7.439 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.486 7.777 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.085 6.285 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.169 5.066 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.697 6.566 -0.643 1.00 0.00 H new ATOM 647 N MET A 42 6.142 7.325 0.921 1.00 0.00 N ATOM 648 CA MET A 42 4.972 8.065 0.467 1.00 0.00 C ATOM 649 C MET A 42 3.984 8.253 1.605 1.00 0.00 C ATOM 650 O MET A 42 3.298 9.271 1.695 1.00 0.00 O ATOM 651 CB MET A 42 4.284 7.310 -0.666 1.00 0.00 C ATOM 652 CG MET A 42 3.392 6.179 -0.179 1.00 0.00 C ATOM 653 SD MET A 42 2.266 5.591 -1.451 1.00 0.00 S ATOM 654 CE MET A 42 2.955 3.971 -1.739 1.00 0.00 C ATOM 0 H MET A 42 6.170 6.354 0.609 1.00 0.00 H new ATOM 0 HA MET A 42 5.304 9.041 0.114 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.686 8.010 -1.249 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.042 6.903 -1.335 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.014 5.351 0.161 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.816 6.520 0.682 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.408 3.481 -2.544 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.004 4.066 -2.019 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.875 3.375 -0.830 1.00 0.00 H new ATOM 664 N TRP A 43 3.914 7.243 2.458 1.00 0.00 N ATOM 665 CA TRP A 43 3.017 7.239 3.587 1.00 0.00 C ATOM 666 C TRP A 43 3.331 8.382 4.553 1.00 0.00 C ATOM 667 O TRP A 43 2.462 9.202 4.853 1.00 0.00 O ATOM 668 CB TRP A 43 3.128 5.867 4.237 1.00 0.00 C ATOM 669 CG TRP A 43 2.864 5.810 5.690 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.786 5.811 6.670 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.595 5.695 6.309 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.166 5.700 7.897 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.807 5.626 7.693 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.300 5.647 5.816 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.753 5.501 8.595 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.748 5.526 6.703 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.517 5.452 8.082 1.00 0.00 C ATOM 0 H TRP A 43 4.484 6.401 2.380 1.00 0.00 H new ATOM 0 HA TRP A 43 1.988 7.412 3.272 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.433 5.193 3.736 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.132 5.482 4.056 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.853 5.887 6.518 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.635 5.677 8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.115 5.704 4.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.930 5.445 9.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.761 5.488 6.329 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.356 5.354 8.755 1.00 0.00 H new ATOM 688 N LYS A 44 4.567 8.434 5.040 1.00 0.00 N ATOM 689 CA LYS A 44 4.975 9.481 5.973 1.00 0.00 C ATOM 690 C LYS A 44 4.607 10.876 5.457 1.00 0.00 C ATOM 691 O LYS A 44 4.456 11.812 6.242 1.00 0.00 O ATOM 692 CB LYS A 44 6.483 9.400 6.227 1.00 0.00 C ATOM 693 CG LYS A 44 6.841 9.171 7.686 1.00 0.00 C ATOM 694 CD LYS A 44 8.113 8.347 7.826 1.00 0.00 C ATOM 695 CE LYS A 44 7.839 7.004 8.486 1.00 0.00 C ATOM 696 NZ LYS A 44 9.096 6.266 8.786 1.00 0.00 N ATOM 0 H LYS A 44 5.302 7.766 4.806 1.00 0.00 H new ATOM 0 HA LYS A 44 4.438 9.319 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.901 8.592 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.951 10.324 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.972 10.131 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.019 8.661 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.554 8.187 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.843 8.901 8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.281 7.160 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.211 6.400 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.866 5.357 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.617 6.094 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.685 6.831 9.431 1.00 0.00 H new ATOM 710 N GLU A 45 4.474 11.015 4.139 1.00 0.00 N ATOM 711 CA GLU A 45 4.136 12.303 3.538 1.00 0.00 C ATOM 712 C GLU A 45 2.780 12.259 2.834 1.00 0.00 C ATOM 713 O GLU A 45 2.623 12.789 1.734 1.00 0.00 O ATOM 714 CB GLU A 45 5.223 12.724 2.546 1.00 0.00 C ATOM 715 CG GLU A 45 6.550 13.060 3.205 1.00 0.00 C ATOM 716 CD GLU A 45 6.432 14.183 4.217 1.00 0.00 C ATOM 717 OE1 GLU A 45 6.053 13.903 5.374 1.00 0.00 O ATOM 718 OE2 GLU A 45 6.715 15.344 3.851 1.00 0.00 O ATOM 0 H GLU A 45 4.595 10.255 3.470 1.00 0.00 H new ATOM 0 HA GLU A 45 4.073 13.036 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.377 11.920 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.875 13.592 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.941 12.171 3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.271 13.342 2.438 1.00 0.00 H new ATOM 725 N LEU A 46 1.803 11.622 3.472 1.00 0.00 N ATOM 726 CA LEU A 46 0.468 11.517 2.889 1.00 0.00 C ATOM 727 C LEU A 46 -0.616 11.920 3.900 1.00 0.00 C ATOM 728 O LEU A 46 -0.503 11.640 5.093 1.00 0.00 O ATOM 729 CB LEU A 46 0.267 10.098 2.321 1.00 0.00 C ATOM 730 CG LEU A 46 -0.837 9.247 2.946 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.223 8.113 2.017 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.398 8.699 4.289 1.00 0.00 C ATOM 0 H LEU A 46 1.907 11.175 4.383 1.00 0.00 H new ATOM 0 HA LEU A 46 0.374 12.221 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.062 10.187 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.208 9.557 2.421 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.709 9.883 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.011 7.517 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.583 8.522 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.353 7.483 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.200 8.096 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.490 8.081 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.168 9.525 4.962 1.00 0.00 H new ATOM 744 N LYS A 47 -1.658 12.602 3.408 1.00 0.00 N ATOM 745 CA LYS A 47 -2.759 13.071 4.263 1.00 0.00 C ATOM 746 C LYS A 47 -3.885 12.054 4.339 1.00 0.00 C ATOM 747 O LYS A 47 -5.012 12.377 4.714 1.00 0.00 O ATOM 748 CB LYS A 47 -3.296 14.410 3.755 1.00 0.00 C ATOM 749 CG LYS A 47 -3.718 15.357 4.866 1.00 0.00 C ATOM 750 CD LYS A 47 -5.207 15.253 5.152 1.00 0.00 C ATOM 751 CE LYS A 47 -5.718 16.472 5.901 1.00 0.00 C ATOM 752 NZ LYS A 47 -4.867 16.798 7.079 1.00 0.00 N ATOM 0 H LYS A 47 -1.763 12.842 2.422 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.359 13.202 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.530 14.893 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.149 14.226 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.156 15.130 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.471 16.381 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.752 15.147 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.404 14.356 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.746 17.327 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.741 16.293 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.360 17.486 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.679 15.931 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.967 17.205 6.755 1.00 0.00 H new ATOM 766 N ASP A 48 -3.551 10.818 4.035 1.00 0.00 N ATOM 767 CA ASP A 48 -4.489 9.722 4.115 1.00 0.00 C ATOM 768 C ASP A 48 -4.126 8.871 5.325 1.00 0.00 C ATOM 769 O ASP A 48 -4.916 8.051 5.785 1.00 0.00 O ATOM 770 CB ASP A 48 -4.457 8.878 2.838 1.00 0.00 C ATOM 771 CG ASP A 48 -4.369 9.726 1.583 1.00 0.00 C ATOM 772 OD1 ASP A 48 -4.739 10.917 1.645 1.00 0.00 O ATOM 773 OD2 ASP A 48 -3.932 9.198 0.539 1.00 0.00 O ATOM 0 H ASP A 48 -2.618 10.546 3.725 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.501 10.113 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.604 8.201 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.353 8.260 2.793 1.00 0.00 H new ATOM 778 N LYS A 49 -2.914 9.105 5.846 1.00 0.00 N ATOM 779 CA LYS A 49 -2.415 8.401 7.013 1.00 0.00 C ATOM 780 C LYS A 49 -3.102 8.920 8.261 1.00 0.00 C ATOM 781 O LYS A 49 -3.278 8.192 9.230 1.00 0.00 O ATOM 782 CB LYS A 49 -0.899 8.587 7.129 1.00 0.00 C ATOM 783 CG LYS A 49 -0.337 8.291 8.503 1.00 0.00 C ATOM 784 CD LYS A 49 0.100 9.560 9.213 1.00 0.00 C ATOM 785 CE LYS A 49 1.237 10.239 8.466 1.00 0.00 C ATOM 786 NZ LYS A 49 1.899 11.285 9.292 1.00 0.00 N ATOM 0 H LYS A 49 -2.260 9.788 5.464 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.631 7.338 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.409 7.940 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.649 9.614 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.090 7.779 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.512 7.614 8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.745 10.244 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.418 9.322 10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.973 9.492 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.852 10.689 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.668 11.723 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.203 12.012 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.289 10.852 10.153 1.00 0.00 H new ATOM 800 N SER A 50 -3.541 10.168 8.221 1.00 0.00 N ATOM 801 CA SER A 50 -4.255 10.725 9.349 1.00 0.00 C ATOM 802 C SER A 50 -5.631 10.083 9.397 1.00 0.00 C ATOM 803 O SER A 50 -6.261 9.988 10.449 1.00 0.00 O ATOM 804 CB SER A 50 -4.372 12.246 9.230 1.00 0.00 C ATOM 805 OG SER A 50 -5.390 12.748 10.079 1.00 0.00 O ATOM 0 H SER A 50 -3.416 10.802 7.432 1.00 0.00 H new ATOM 0 HA SER A 50 -3.710 10.517 10.270 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.419 12.708 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.589 12.517 8.197 1.00 0.00 H new ATOM 0 HG SER A 50 -5.443 13.722 9.985 1.00 0.00 H new ATOM 811 N LYS A 51 -6.073 9.632 8.225 1.00 0.00 N ATOM 812 CA LYS A 51 -7.366 8.974 8.089 1.00 0.00 C ATOM 813 C LYS A 51 -7.212 7.451 8.098 1.00 0.00 C ATOM 814 O LYS A 51 -8.169 6.724 8.367 1.00 0.00 O ATOM 815 CB LYS A 51 -8.054 9.419 6.797 1.00 0.00 C ATOM 816 CG LYS A 51 -9.433 8.809 6.600 1.00 0.00 C ATOM 817 CD LYS A 51 -9.494 7.955 5.342 1.00 0.00 C ATOM 818 CE LYS A 51 -10.884 7.966 4.728 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.835 7.990 3.240 1.00 0.00 N ATOM 0 H LYS A 51 -5.550 9.712 7.353 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.981 9.263 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.143 10.505 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.423 9.152 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.689 8.200 7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.177 9.603 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.771 8.325 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.209 6.931 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.434 7.085 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.432 8.837 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.803 7.997 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.333 8.844 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.334 7.146 2.895 1.00 0.00 H new ATOM 833 N TRP A 52 -6.004 6.974 7.797 1.00 0.00 N ATOM 834 CA TRP A 52 -5.730 5.539 7.765 1.00 0.00 C ATOM 835 C TRP A 52 -5.038 5.080 9.047 1.00 0.00 C ATOM 836 O TRP A 52 -5.419 4.073 9.647 1.00 0.00 O ATOM 837 CB TRP A 52 -4.857 5.187 6.553 1.00 0.00 C ATOM 838 CG TRP A 52 -5.618 4.546 5.426 1.00 0.00 C ATOM 839 CD1 TRP A 52 -6.486 3.491 5.510 1.00 0.00 C ATOM 840 CD2 TRP A 52 -5.574 4.917 4.043 1.00 0.00 C ATOM 841 NE1 TRP A 52 -6.982 3.189 4.266 1.00 0.00 N ATOM 842 CE2 TRP A 52 -6.439 4.050 3.349 1.00 0.00 C ATOM 843 CE3 TRP A 52 -4.889 5.900 3.324 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -6.635 4.135 1.974 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.085 5.984 1.958 1.00 0.00 C ATOM 846 CH2 TRP A 52 -5.952 5.107 1.296 1.00 0.00 C ATOM 0 H TRP A 52 -5.201 7.561 7.572 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.686 5.021 7.683 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.377 6.094 6.186 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.062 4.513 6.872 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -6.743 2.972 6.422 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -7.647 2.444 4.058 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.219 6.582 3.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.302 3.458 1.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.560 6.739 1.392 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.084 5.200 0.228 1.00 0.00 H new ATOM 857 N GLU A 53 -4.024 5.827 9.474 1.00 0.00 N ATOM 858 CA GLU A 53 -3.296 5.484 10.689 1.00 0.00 C ATOM 859 C GLU A 53 -4.256 5.334 11.851 1.00 0.00 C ATOM 860 O GLU A 53 -4.014 4.562 12.779 1.00 0.00 O ATOM 861 CB GLU A 53 -2.237 6.544 11.014 1.00 0.00 C ATOM 862 CG GLU A 53 -2.744 7.696 11.873 1.00 0.00 C ATOM 863 CD GLU A 53 -2.360 7.549 13.331 1.00 0.00 C ATOM 864 OE1 GLU A 53 -2.556 6.448 13.889 1.00 0.00 O ATOM 865 OE2 GLU A 53 -1.862 8.533 13.917 1.00 0.00 O ATOM 0 H GLU A 53 -3.691 6.667 9.001 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.788 4.534 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.404 6.063 11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.846 6.948 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.344 8.634 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.829 7.755 11.791 1.00 0.00 H new ATOM 872 N ASP A 54 -5.348 6.080 11.795 1.00 0.00 N ATOM 873 CA ASP A 54 -6.333 6.022 12.847 1.00 0.00 C ATOM 874 C ASP A 54 -7.039 4.692 12.821 1.00 0.00 C ATOM 875 O ASP A 54 -7.401 4.160 13.864 1.00 0.00 O ATOM 876 CB ASP A 54 -7.332 7.174 12.739 1.00 0.00 C ATOM 877 CG ASP A 54 -7.750 7.706 14.095 1.00 0.00 C ATOM 878 OD1 ASP A 54 -8.243 6.908 14.920 1.00 0.00 O ATOM 879 OD2 ASP A 54 -7.585 8.921 14.334 1.00 0.00 O ATOM 0 H ASP A 54 -5.568 6.726 11.036 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.819 6.126 13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.889 7.981 12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.215 6.836 12.197 1.00 0.00 H new ATOM 884 N ALA A 55 -7.197 4.127 11.634 1.00 0.00 N ATOM 885 CA ALA A 55 -7.817 2.827 11.521 1.00 0.00 C ATOM 886 C ALA A 55 -7.024 1.848 12.372 1.00 0.00 C ATOM 887 O ALA A 55 -7.589 1.042 13.107 1.00 0.00 O ATOM 888 CB ALA A 55 -7.875 2.375 10.070 1.00 0.00 C ATOM 0 H ALA A 55 -6.907 4.545 10.750 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.846 2.874 11.877 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.346 1.394 10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.456 3.091 9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.864 2.316 9.667 1.00 0.00 H new ATOM 894 N ALA A 56 -5.697 1.927 12.257 1.00 0.00 N ATOM 895 CA ALA A 56 -4.795 1.050 13.008 1.00 0.00 C ATOM 896 C ALA A 56 -5.061 1.123 14.505 1.00 0.00 C ATOM 897 O ALA A 56 -5.269 0.101 15.159 1.00 0.00 O ATOM 898 CB ALA A 56 -3.353 1.436 12.736 1.00 0.00 C ATOM 0 H ALA A 56 -5.221 2.592 11.648 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.977 0.027 12.677 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.688 0.780 13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.145 1.338 11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.188 2.469 13.044 1.00 0.00 H new ATOM 904 N ALA A 57 -5.059 2.341 15.043 1.00 0.00 N ATOM 905 CA ALA A 57 -5.310 2.540 16.465 1.00 0.00 C ATOM 906 C ALA A 57 -6.746 2.171 16.810 1.00 0.00 C ATOM 907 O ALA A 57 -7.060 1.843 17.953 1.00 0.00 O ATOM 908 CB ALA A 57 -5.021 3.982 16.856 1.00 0.00 C ATOM 0 H ALA A 57 -4.887 3.199 14.518 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.643 1.888 17.029 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.213 4.116 17.921 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.978 4.215 16.643 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.665 4.650 16.284 1.00 0.00 H new ATOM 914 N LYS A 58 -7.610 2.227 15.804 1.00 0.00 N ATOM 915 CA LYS A 58 -9.013 1.898 15.986 1.00 0.00 C ATOM 916 C LYS A 58 -9.221 0.390 15.931 1.00 0.00 C ATOM 917 O LYS A 58 -10.053 -0.155 16.656 1.00 0.00 O ATOM 918 CB LYS A 58 -9.881 2.609 14.931 1.00 0.00 C ATOM 919 CG LYS A 58 -10.556 1.678 13.929 1.00 0.00 C ATOM 920 CD LYS A 58 -11.509 2.434 13.016 1.00 0.00 C ATOM 921 CE LYS A 58 -11.195 2.188 11.549 1.00 0.00 C ATOM 922 NZ LYS A 58 -12.429 1.962 10.747 1.00 0.00 N ATOM 0 H LYS A 58 -7.360 2.498 14.853 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.322 2.249 16.971 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.649 3.188 15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.258 3.318 14.385 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.797 1.177 13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.103 0.902 14.464 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.534 2.127 13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.446 3.501 13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.652 3.043 11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.540 1.322 11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.172 1.798 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.935 1.131 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.043 2.799 10.812 1.00 0.00 H new ATOM 936 N ASP A 59 -8.477 -0.285 15.056 1.00 0.00 N ATOM 937 CA ASP A 59 -8.617 -1.721 14.916 1.00 0.00 C ATOM 938 C ASP A 59 -7.886 -2.458 16.027 1.00 0.00 C ATOM 939 O ASP A 59 -8.359 -3.486 16.494 1.00 0.00 O ATOM 940 CB ASP A 59 -8.111 -2.175 13.544 1.00 0.00 C ATOM 941 CG ASP A 59 -8.415 -3.634 13.265 1.00 0.00 C ATOM 942 OD1 ASP A 59 -8.359 -4.446 14.212 1.00 0.00 O ATOM 943 OD2 ASP A 59 -8.710 -3.966 12.097 1.00 0.00 O ATOM 0 H ASP A 59 -7.781 0.139 14.443 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.676 -1.965 14.996 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.567 -1.558 12.770 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.034 -2.014 13.486 1.00 0.00 H new ATOM 948 N LYS A 60 -6.734 -1.944 16.454 1.00 0.00 N ATOM 949 CA LYS A 60 -5.982 -2.599 17.518 1.00 0.00 C ATOM 950 C LYS A 60 -6.803 -2.591 18.795 1.00 0.00 C ATOM 951 O LYS A 60 -6.810 -3.550 19.567 1.00 0.00 O ATOM 952 CB LYS A 60 -4.615 -1.922 17.728 1.00 0.00 C ATOM 953 CG LYS A 60 -4.640 -0.670 18.603 1.00 0.00 C ATOM 954 CD LYS A 60 -3.599 -0.745 19.709 1.00 0.00 C ATOM 955 CE LYS A 60 -2.246 -0.237 19.238 1.00 0.00 C ATOM 956 NZ LYS A 60 -2.058 1.208 19.542 1.00 0.00 N ATOM 0 H LYS A 60 -6.309 -1.093 16.087 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.787 -3.632 17.231 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.933 -2.646 18.175 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.204 -1.657 16.754 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.456 0.210 17.987 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.631 -0.550 19.041 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.932 -0.156 20.564 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.503 -1.776 20.050 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.455 -0.814 19.717 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.152 -0.397 18.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.123 1.515 19.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.797 1.762 19.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.122 1.358 20.569 1.00 0.00 H new ATOM 970 N GLN A 61 -7.486 -1.482 18.992 1.00 0.00 N ATOM 971 CA GLN A 61 -8.319 -1.278 20.143 1.00 0.00 C ATOM 972 C GLN A 61 -9.608 -2.052 20.014 1.00 0.00 C ATOM 973 O GLN A 61 -10.114 -2.590 20.986 1.00 0.00 O ATOM 974 CB GLN A 61 -8.613 0.201 20.332 1.00 0.00 C ATOM 975 CG GLN A 61 -8.019 0.746 21.608 1.00 0.00 C ATOM 976 CD GLN A 61 -9.047 1.441 22.477 1.00 0.00 C ATOM 977 OE1 GLN A 61 -9.407 0.807 23.586 1.00 0.00 O flip ATOM 978 NE2 GLN A 61 -9.513 2.535 22.156 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.473 -0.693 18.346 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.783 -1.643 21.019 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.218 0.759 19.483 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.692 0.356 20.341 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.564 -0.070 22.170 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.222 1.447 21.363 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.207 2.986 21.294 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.205 2.990 22.752 1.00 0.00 H new ATOM 987 N ARG A 62 -10.149 -2.110 18.815 1.00 0.00 N ATOM 988 CA ARG A 62 -11.379 -2.836 18.616 1.00 0.00 C ATOM 989 C ARG A 62 -11.119 -4.340 18.574 1.00 0.00 C ATOM 990 O ARG A 62 -12.044 -5.142 18.700 1.00 0.00 O ATOM 991 CB ARG A 62 -12.071 -2.391 17.333 1.00 0.00 C ATOM 992 CG ARG A 62 -13.083 -3.404 16.833 1.00 0.00 C ATOM 993 CD ARG A 62 -13.660 -2.998 15.488 1.00 0.00 C ATOM 994 NE ARG A 62 -12.617 -2.837 14.477 1.00 0.00 N ATOM 995 CZ ARG A 62 -12.854 -2.478 13.217 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.094 -2.242 12.810 1.00 0.00 N ATOM 997 NH2 ARG A 62 -11.847 -2.354 12.362 1.00 0.00 N ATOM 0 H ARG A 62 -9.763 -1.671 17.979 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.035 -2.618 19.459 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.572 -1.438 17.507 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.321 -2.221 16.561 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.608 -4.381 16.746 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.889 -3.504 17.560 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.374 -3.751 15.156 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.210 -2.063 15.595 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.650 -3.010 14.753 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.872 -2.335 13.463 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.270 -1.967 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.891 -2.534 12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.029 -2.079 11.397 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.860 -4.713 18.397 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.489 -6.119 18.342 1.00 0.00 C ATOM 1013 C TYR A 63 -9.284 -6.619 19.748 1.00 0.00 C ATOM 1014 O TYR A 63 -9.890 -7.596 20.169 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.223 -6.316 17.491 1.00 0.00 C ATOM 1016 CG TYR A 63 -7.143 -7.154 18.149 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -7.231 -8.539 18.177 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -6.037 -6.554 18.738 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -6.246 -9.305 18.773 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -5.048 -7.312 19.335 1.00 0.00 C ATOM 1021 CZ TYR A 63 -5.157 -8.687 19.351 1.00 0.00 C ATOM 1022 OH TYR A 63 -4.173 -9.444 19.945 1.00 0.00 O ATOM 0 H TYR A 63 -9.081 -4.064 18.289 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.286 -6.692 17.869 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.504 -6.785 16.548 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.808 -5.338 17.249 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.083 -9.026 17.726 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.949 -5.478 18.729 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.329 -10.382 18.786 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.194 -6.830 19.787 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.545 -10.309 20.217 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.455 -5.906 20.484 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.193 -6.217 21.848 1.00 0.00 C ATOM 1034 C HIS A 64 -9.444 -5.932 22.671 1.00 0.00 C ATOM 1035 O HIS A 64 -9.608 -6.413 23.781 1.00 0.00 O ATOM 1036 CB HIS A 64 -7.001 -5.368 22.319 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.404 -4.064 22.888 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.354 -3.293 22.301 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.988 -3.393 23.979 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -8.520 -2.194 22.989 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.703 -2.221 24.025 1.00 0.00 N ATOM 0 H HIS A 64 -7.948 -5.092 20.137 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.941 -7.270 21.971 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.439 -5.926 23.068 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.329 -5.198 21.478 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -8.862 -3.535 21.450 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.236 -3.715 24.684 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.210 -1.398 22.750 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.327 -5.118 22.127 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.514 -4.773 22.848 1.00 0.00 C ATOM 1052 C ASP A 65 -12.442 -5.956 22.967 1.00 0.00 C ATOM 1053 O ASP A 65 -13.452 -5.877 23.668 1.00 0.00 O ATOM 1054 CB ASP A 65 -12.242 -3.613 22.179 1.00 0.00 C ATOM 1055 CG ASP A 65 -12.009 -2.292 22.888 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -11.741 -2.312 24.107 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -12.094 -1.240 22.221 1.00 0.00 O ATOM 0 H ASP A 65 -10.239 -4.694 21.203 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.209 -4.467 23.849 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.910 -3.529 21.144 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.311 -3.825 22.155 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.143 -7.050 22.271 1.00 0.00 N ATOM 1063 CA GLU A 66 -13.027 -8.169 22.340 1.00 0.00 C ATOM 1064 C GLU A 66 -12.358 -9.415 21.848 1.00 0.00 C ATOM 1065 O GLU A 66 -12.645 -10.514 22.320 1.00 0.00 O ATOM 1066 CB GLU A 66 -14.275 -7.890 21.508 1.00 0.00 C ATOM 1067 CG GLU A 66 -13.971 -7.400 20.103 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.080 -7.724 19.121 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -16.225 -7.943 19.568 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.802 -7.758 17.903 1.00 0.00 O ATOM 0 H GLU A 66 -11.322 -7.168 21.678 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.307 -8.321 23.382 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.871 -8.800 21.445 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.884 -7.145 22.020 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.813 -6.322 20.124 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.041 -7.852 19.758 1.00 0.00 H new ATOM 1077 N MET A 67 -11.482 -9.258 20.875 1.00 0.00 N ATOM 1078 CA MET A 67 -10.795 -10.369 20.292 1.00 0.00 C ATOM 1079 C MET A 67 -9.300 -10.270 20.529 1.00 0.00 C ATOM 1080 O MET A 67 -8.533 -10.943 19.840 1.00 0.00 O ATOM 1081 CB MET A 67 -11.051 -10.338 18.793 1.00 0.00 C ATOM 1082 CG MET A 67 -12.472 -9.934 18.431 1.00 0.00 C ATOM 1083 SD MET A 67 -13.155 -10.895 17.067 1.00 0.00 S ATOM 1084 CE MET A 67 -13.132 -9.680 15.752 1.00 0.00 C ATOM 0 H MET A 67 -11.234 -8.353 20.474 1.00 0.00 H new ATOM 0 HA MET A 67 -11.156 -11.293 20.744 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.353 -9.642 18.327 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.844 -11.324 18.376 1.00 0.00 H new ATOM 0 HG2 MET A 67 -13.111 -10.052 19.306 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.486 -8.877 18.166 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.140 -9.295 15.595 1.00 0.00 H new ATOM 0 HE2 MET A 67 -12.469 -8.860 16.026 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.773 -10.145 14.834 1.00 0.00 H new ATOM 1094 N ARG A 68 -8.863 -9.433 21.488 1.00 0.00 N ATOM 1095 CA ARG A 68 -7.427 -9.312 21.737 1.00 0.00 C ATOM 1096 C ARG A 68 -6.824 -10.680 21.626 1.00 0.00 C ATOM 1097 O ARG A 68 -5.816 -10.890 20.955 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.074 -8.711 23.111 1.00 0.00 C ATOM 1099 CG ARG A 68 -8.200 -8.626 24.115 1.00 0.00 C ATOM 1100 CD ARG A 68 -7.907 -7.509 25.103 1.00 0.00 C ATOM 1101 NE ARG A 68 -8.541 -7.732 26.400 1.00 0.00 N ATOM 1102 CZ ARG A 68 -8.129 -7.171 27.535 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -7.087 -6.349 27.538 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -8.764 -7.430 28.670 1.00 0.00 N ATOM 0 H ARG A 68 -9.461 -8.855 22.078 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.026 -8.620 20.996 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.271 -9.304 23.548 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.679 -7.707 22.954 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.145 -8.437 23.605 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.306 -9.575 24.641 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.829 -7.421 25.239 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.254 -6.562 24.690 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.348 -8.355 26.438 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.597 -6.144 26.667 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.776 -5.922 28.411 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.567 -8.059 28.673 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.449 -7.001 29.540 1.00 0.00 H new ATOM 1118 N ASN A 69 -7.459 -11.614 22.302 1.00 0.00 N ATOM 1119 CA ASN A 69 -6.993 -12.994 22.293 1.00 0.00 C ATOM 1120 C ASN A 69 -7.830 -13.849 21.345 1.00 0.00 C ATOM 1121 O ASN A 69 -7.288 -14.565 20.502 1.00 0.00 O ATOM 1122 CB ASN A 69 -7.033 -13.575 23.708 1.00 0.00 C ATOM 1123 CG ASN A 69 -8.439 -13.662 24.265 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -9.081 -14.711 24.203 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -8.928 -12.556 24.816 1.00 0.00 N ATOM 0 H ASN A 69 -8.295 -11.450 22.863 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.963 -13.003 21.936 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.587 -14.570 23.701 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.423 -12.957 24.367 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.869 -12.555 25.208 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.362 -11.708 24.846 1.00 0.00 H new ATOM 1132 N TYR A 70 -9.151 -13.765 21.484 1.00 0.00 N ATOM 1133 CA TYR A 70 -10.067 -14.528 20.641 1.00 0.00 C ATOM 1134 C TYR A 70 -9.865 -16.033 20.819 1.00 0.00 C ATOM 1135 O TYR A 70 -10.677 -16.703 21.455 1.00 0.00 O ATOM 1136 CB TYR A 70 -9.888 -14.138 19.171 1.00 0.00 C ATOM 1137 CG TYR A 70 -11.162 -14.230 18.360 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -12.372 -13.775 18.873 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -11.155 -14.771 17.081 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -13.537 -13.860 18.134 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -12.316 -14.858 16.336 1.00 0.00 C ATOM 1142 CZ TYR A 70 -13.503 -14.402 16.868 1.00 0.00 C ATOM 1143 OH TYR A 70 -14.661 -14.487 16.128 1.00 0.00 O ATOM 0 H TYR A 70 -9.612 -13.174 22.175 1.00 0.00 H new ATOM 0 HA TYR A 70 -11.084 -14.288 20.950 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.507 -13.118 19.118 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.134 -14.784 18.722 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.402 -13.348 19.865 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.227 -15.130 16.661 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.469 -13.503 18.547 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.293 -15.281 15.343 1.00 0.00 H new ATOM 0 HH TYR A 70 -14.464 -14.892 15.258 1.00 0.00 H new ATOM 1153 N LYS A 71 -8.780 -16.557 20.257 1.00 0.00 N ATOM 1154 CA LYS A 71 -8.477 -17.981 20.359 1.00 0.00 C ATOM 1155 C LYS A 71 -9.642 -18.830 19.850 1.00 0.00 C ATOM 1156 O LYS A 71 -10.157 -19.689 20.567 1.00 0.00 O ATOM 1157 CB LYS A 71 -8.151 -18.352 21.807 1.00 0.00 C ATOM 1158 CG LYS A 71 -6.690 -18.145 22.175 1.00 0.00 C ATOM 1159 CD LYS A 71 -5.790 -19.141 21.462 1.00 0.00 C ATOM 1160 CE LYS A 71 -4.431 -18.538 21.144 1.00 0.00 C ATOM 1161 NZ LYS A 71 -3.366 -19.062 22.042 1.00 0.00 N ATOM 0 H LYS A 71 -8.096 -16.017 19.726 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.608 -18.185 19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.773 -17.756 22.475 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.414 -19.396 21.974 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.389 -17.130 21.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.567 -18.249 23.253 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.660 -20.026 22.085 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.268 -19.469 20.539 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.171 -18.755 20.108 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.484 -17.453 21.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.456 -18.626 21.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.600 -18.833 23.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.297 -20.094 21.933 1.00 0.00 H new ATOM 1175 N PRO A 72 -10.077 -18.597 18.599 1.00 0.00 N ATOM 1176 CA PRO A 72 -11.187 -19.343 17.999 1.00 0.00 C ATOM 1177 C PRO A 72 -10.788 -20.763 17.607 1.00 0.00 C ATOM 1178 O PRO A 72 -11.517 -21.718 17.873 1.00 0.00 O ATOM 1179 CB PRO A 72 -11.528 -18.521 16.756 1.00 0.00 C ATOM 1180 CG PRO A 72 -10.249 -17.855 16.382 1.00 0.00 C ATOM 1181 CD PRO A 72 -9.521 -17.590 17.674 1.00 0.00 C ATOM 0 HA PRO A 72 -12.020 -19.465 18.691 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.895 -19.156 15.949 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.309 -17.790 16.966 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.656 -18.491 15.724 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.437 -16.926 15.843 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.443 -17.704 17.558 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.697 -16.576 18.033 1.00 0.00 H new ATOM 1189 N GLU A 73 -9.627 -20.892 16.974 1.00 0.00 N ATOM 1190 CA GLU A 73 -9.131 -22.195 16.545 1.00 0.00 C ATOM 1191 C GLU A 73 -7.634 -22.139 16.260 1.00 0.00 C ATOM 1192 O GLU A 73 -6.976 -21.134 16.534 1.00 0.00 O ATOM 1193 CB GLU A 73 -9.885 -22.664 15.298 1.00 0.00 C ATOM 1194 CG GLU A 73 -10.922 -23.738 15.583 1.00 0.00 C ATOM 1195 CD GLU A 73 -11.949 -23.866 14.474 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -11.600 -24.404 13.403 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -13.100 -23.429 14.678 1.00 0.00 O ATOM 0 H GLU A 73 -9.012 -20.111 16.747 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.301 -22.907 17.353 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.378 -21.808 14.838 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.168 -23.047 14.572 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.420 -24.696 15.720 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.430 -23.508 16.519 1.00 0.00 H new ATOM 1204 N ALA A 74 -7.100 -23.223 15.707 1.00 0.00 N ATOM 1205 CA ALA A 74 -5.680 -23.297 15.383 1.00 0.00 C ATOM 1206 C ALA A 74 -5.284 -22.202 14.400 1.00 0.00 C ATOM 1207 O ALA A 74 -6.158 -21.384 14.041 1.00 0.00 O ATOM 1208 CB ALA A 74 -5.339 -24.667 14.817 1.00 0.00 C ATOM 1209 OXT ALA A 74 -4.102 -22.169 13.995 1.00 0.00 O ATOM 0 H ALA A 74 -7.630 -24.063 15.474 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.114 -23.145 16.302 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.276 -24.708 14.580 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.576 -25.434 15.554 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.920 -24.841 13.911 1.00 0.00 H new TER 1215 ALA A 74