USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 518 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 11 LYS NZ :NH3+ 145:sc= 0.396 (180deg=-0.277) USER MOD Set 1.2: A 30 GLN : amide:sc= -0.217 K(o=0.18,f=-2.3) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.409 (180deg=-1.15) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.8!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= 0.235 (180deg=0.0788) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0293 K(o=-0.029,f=-0.64) USER MOD Single : A 14 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.19) USER MOD Single : A 25 THR OG1 : rot 124:sc= 1.29 USER MOD Single : A 35 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-13!) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00403 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 2.46 (180deg=2.23) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.469 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 56 GLN : amide:sc= -0.0684 K(o=-0.068,f=-1.6) USER MOD Single : A 62 SER OG : rot -83:sc= 0.522 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.103 5.966 -6.738 1.00 0.00 N ATOM 2 CA MET A 1 12.329 5.834 -5.487 1.00 0.00 C ATOM 3 C MET A 1 12.973 6.688 -4.406 1.00 0.00 C ATOM 4 O MET A 1 14.130 6.477 -4.048 1.00 0.00 O ATOM 5 CB MET A 1 12.287 4.363 -5.055 1.00 0.00 C ATOM 6 CG MET A 1 11.168 4.019 -4.077 1.00 0.00 C ATOM 7 SD MET A 1 11.380 4.763 -2.447 1.00 0.00 S ATOM 8 CE MET A 1 9.961 4.093 -1.583 1.00 0.00 C ATOM 0 H1 MET A 1 12.666 5.383 -7.480 1.00 0.00 H new ATOM 0 H2 MET A 1 13.110 6.962 -7.039 1.00 0.00 H new ATOM 0 H3 MET A 1 14.080 5.646 -6.577 1.00 0.00 H new ATOM 0 HA MET A 1 11.307 6.176 -5.649 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.179 3.740 -5.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.243 4.105 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.217 4.347 -4.496 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.112 2.936 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.754 4.698 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.094 4.106 -2.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.171 3.067 -1.279 1.00 0.00 H new ATOM 18 N ASN A 2 12.231 7.665 -3.907 1.00 0.00 N ATOM 19 CA ASN A 2 12.758 8.572 -2.895 1.00 0.00 C ATOM 20 C ASN A 2 11.834 8.611 -1.681 1.00 0.00 C ATOM 21 O ASN A 2 12.092 7.958 -0.671 1.00 0.00 O ATOM 22 CB ASN A 2 12.924 9.982 -3.476 1.00 0.00 C ATOM 23 CG ASN A 2 13.747 10.900 -2.585 1.00 0.00 C ATOM 24 OD1 ASN A 2 13.831 10.712 -1.372 1.00 0.00 O ATOM 25 ND2 ASN A 2 14.359 11.911 -3.183 1.00 0.00 N ATOM 0 H ASN A 2 11.267 7.851 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 2 13.735 8.205 -2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 2 13.400 9.912 -4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.939 10.423 -3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 2 14.921 12.563 -2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 2 14.268 12.038 -4.191 1.00 0.00 H new ATOM 32 N SER A 3 10.751 9.367 -1.789 1.00 0.00 N ATOM 33 CA SER A 3 9.807 9.507 -0.691 1.00 0.00 C ATOM 34 C SER A 3 8.547 8.699 -0.957 1.00 0.00 C ATOM 35 O SER A 3 7.578 8.789 -0.204 1.00 0.00 O ATOM 36 CB SER A 3 9.457 10.981 -0.495 1.00 0.00 C ATOM 37 OG SER A 3 8.981 11.559 -1.701 1.00 0.00 O ATOM 0 H SER A 3 10.504 9.893 -2.627 1.00 0.00 H new ATOM 0 HA SER A 3 10.271 9.124 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.699 11.077 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.337 11.524 -0.151 1.00 0.00 H new ATOM 0 HG SER A 3 8.763 12.502 -1.548 1.00 0.00 H new ATOM 43 N ASP A 4 8.585 7.907 -2.029 1.00 0.00 N ATOM 44 CA ASP A 4 7.445 7.103 -2.473 1.00 0.00 C ATOM 45 C ASP A 4 6.315 7.976 -3.005 1.00 0.00 C ATOM 46 O ASP A 4 5.719 8.771 -2.280 1.00 0.00 O ATOM 47 CB ASP A 4 6.924 6.187 -1.364 1.00 0.00 C ATOM 48 CG ASP A 4 5.658 5.471 -1.776 1.00 0.00 C ATOM 49 OD1 ASP A 4 5.550 5.090 -2.965 1.00 0.00 O ATOM 50 OD2 ASP A 4 4.773 5.285 -0.920 1.00 0.00 O ATOM 0 H ASP A 4 9.412 7.804 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 4 7.809 6.476 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.689 5.454 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.733 6.775 -0.466 1.00 0.00 H new ATOM 55 N VAL A 5 6.014 7.806 -4.282 1.00 0.00 N ATOM 56 CA VAL A 5 5.006 8.616 -4.940 1.00 0.00 C ATOM 57 C VAL A 5 3.623 7.980 -4.833 1.00 0.00 C ATOM 58 O VAL A 5 2.616 8.629 -5.111 1.00 0.00 O ATOM 59 CB VAL A 5 5.346 8.849 -6.427 1.00 0.00 C ATOM 60 CG1 VAL A 5 6.641 9.636 -6.559 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.443 7.526 -7.177 1.00 0.00 C ATOM 0 H VAL A 5 6.456 7.111 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 5 4.996 9.577 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 5 4.540 9.431 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.866 9.792 -7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.532 10.601 -6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.454 9.080 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.684 7.717 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.225 6.912 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.490 7.001 -7.114 1.00 0.00 H new ATOM 71 N ILE A 6 3.569 6.720 -4.407 1.00 0.00 N ATOM 72 CA ILE A 6 2.300 6.003 -4.326 1.00 0.00 C ATOM 73 C ILE A 6 1.424 6.598 -3.224 1.00 0.00 C ATOM 74 O ILE A 6 0.198 6.472 -3.246 1.00 0.00 O ATOM 75 CB ILE A 6 2.520 4.489 -4.085 1.00 0.00 C ATOM 76 CG1 ILE A 6 3.374 3.901 -5.214 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.189 3.751 -3.987 1.00 0.00 C ATOM 78 CD1 ILE A 6 3.648 2.418 -5.071 1.00 0.00 C ATOM 0 H ILE A 6 4.383 6.178 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 6 1.790 6.116 -5.282 1.00 0.00 H new ATOM 0 HB ILE A 6 3.044 4.363 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.872 4.077 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.324 4.434 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.373 2.690 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.609 4.156 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.633 3.879 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.258 2.078 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.179 2.235 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.704 1.873 -5.065 1.00 0.00 H new ATOM 90 N LYS A 7 2.066 7.276 -2.280 1.00 0.00 N ATOM 91 CA LYS A 7 1.359 7.970 -1.209 1.00 0.00 C ATOM 92 C LYS A 7 0.422 9.035 -1.774 1.00 0.00 C ATOM 93 O LYS A 7 -0.647 9.293 -1.220 1.00 0.00 O ATOM 94 CB LYS A 7 2.357 8.636 -0.258 1.00 0.00 C ATOM 95 CG LYS A 7 3.403 7.696 0.305 1.00 0.00 C ATOM 96 CD LYS A 7 4.408 8.445 1.158 1.00 0.00 C ATOM 97 CE LYS A 7 5.484 7.519 1.689 1.00 0.00 C ATOM 98 NZ LYS A 7 6.480 8.247 2.516 1.00 0.00 N ATOM 0 H LYS A 7 3.081 7.360 -2.234 1.00 0.00 H new ATOM 0 HA LYS A 7 0.771 7.231 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.860 9.446 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.808 9.087 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.918 6.924 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.919 7.191 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.868 9.239 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.894 8.924 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.024 6.731 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.990 7.033 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.937 7.583 3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.200 8.673 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.001 8.995 3.057 1.00 0.00 H new ATOM 112 N GLY A 8 0.825 9.647 -2.884 1.00 0.00 N ATOM 113 CA GLY A 8 0.060 10.746 -3.440 1.00 0.00 C ATOM 114 C GLY A 8 -0.583 10.425 -4.778 1.00 0.00 C ATOM 115 O GLY A 8 -1.466 11.155 -5.231 1.00 0.00 O ATOM 0 H GLY A 8 1.666 9.401 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.718 11.031 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.714 11.610 -3.559 1.00 0.00 H new ATOM 119 N LYS A 9 -0.148 9.344 -5.414 1.00 0.00 N ATOM 120 CA LYS A 9 -0.671 8.969 -6.727 1.00 0.00 C ATOM 121 C LYS A 9 -1.571 7.742 -6.636 1.00 0.00 C ATOM 122 O LYS A 9 -1.917 7.156 -7.654 1.00 0.00 O ATOM 123 CB LYS A 9 0.473 8.663 -7.695 1.00 0.00 C ATOM 124 CG LYS A 9 1.457 9.807 -7.892 1.00 0.00 C ATOM 125 CD LYS A 9 0.859 10.931 -8.720 1.00 0.00 C ATOM 126 CE LYS A 9 1.892 12.006 -9.022 1.00 0.00 C ATOM 127 NZ LYS A 9 1.360 13.055 -9.930 1.00 0.00 N ATOM 0 H LYS A 9 0.563 8.712 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.253 9.814 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.017 7.792 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.051 8.393 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.762 10.195 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.356 9.433 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.467 10.528 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.018 11.372 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.218 12.466 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.770 11.547 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.097 13.766 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.072 12.621 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.537 13.513 -9.488 1.00 0.00 H new ATOM 141 N TRP A 10 -1.943 7.364 -5.418 1.00 0.00 N ATOM 142 CA TRP A 10 -2.746 6.164 -5.189 1.00 0.00 C ATOM 143 C TRP A 10 -3.997 6.137 -6.069 1.00 0.00 C ATOM 144 O TRP A 10 -4.213 5.186 -6.822 1.00 0.00 O ATOM 145 CB TRP A 10 -3.143 6.063 -3.713 1.00 0.00 C ATOM 146 CG TRP A 10 -3.995 4.869 -3.404 1.00 0.00 C ATOM 147 CD1 TRP A 10 -5.356 4.838 -3.317 1.00 0.00 C ATOM 148 CD2 TRP A 10 -3.543 3.535 -3.143 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.779 3.569 -3.014 1.00 0.00 N ATOM 150 CE2 TRP A 10 -4.687 2.750 -2.907 1.00 0.00 C ATOM 151 CE3 TRP A 10 -2.286 2.926 -3.089 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -4.613 1.392 -2.618 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -2.212 1.576 -2.803 1.00 0.00 C ATOM 154 CH2 TRP A 10 -3.372 0.822 -2.572 1.00 0.00 C ATOM 0 H TRP A 10 -1.701 7.873 -4.568 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.131 5.305 -5.459 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.240 6.023 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.680 6.967 -3.427 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.005 5.688 -3.465 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.750 3.282 -2.889 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.389 3.500 -3.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -5.504 0.809 -2.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.246 1.094 -2.757 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.282 -0.232 -2.353 1.00 0.00 H new ATOM 165 N LYS A 11 -4.806 7.185 -5.993 1.00 0.00 N ATOM 166 CA LYS A 11 -6.058 7.217 -6.733 1.00 0.00 C ATOM 167 C LYS A 11 -5.802 7.427 -8.226 1.00 0.00 C ATOM 168 O LYS A 11 -6.664 7.145 -9.058 1.00 0.00 O ATOM 169 CB LYS A 11 -6.994 8.292 -6.177 1.00 0.00 C ATOM 170 CG LYS A 11 -8.419 8.166 -6.690 1.00 0.00 C ATOM 171 CD LYS A 11 -9.387 9.023 -5.894 1.00 0.00 C ATOM 172 CE LYS A 11 -10.815 8.870 -6.395 1.00 0.00 C ATOM 173 NZ LYS A 11 -11.289 7.457 -6.343 1.00 0.00 N ATOM 0 H LYS A 11 -4.620 8.016 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.549 6.252 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.000 8.233 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.605 9.276 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.454 8.459 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.732 7.123 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.339 8.745 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.088 10.069 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.476 9.494 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.878 9.234 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.302 7.439 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.141 7.007 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.755 6.938 -5.617 1.00 0.00 H new ATOM 187 N GLN A 12 -4.602 7.891 -8.566 1.00 0.00 N ATOM 188 CA GLN A 12 -4.214 8.051 -9.963 1.00 0.00 C ATOM 189 C GLN A 12 -3.825 6.704 -10.551 1.00 0.00 C ATOM 190 O GLN A 12 -3.828 6.514 -11.767 1.00 0.00 O ATOM 191 CB GLN A 12 -3.034 9.018 -10.097 1.00 0.00 C ATOM 192 CG GLN A 12 -3.318 10.421 -9.593 1.00 0.00 C ATOM 193 CD GLN A 12 -4.405 11.125 -10.383 1.00 0.00 C ATOM 194 OE1 GLN A 12 -4.602 10.864 -11.571 1.00 0.00 O ATOM 195 NE2 GLN A 12 -5.105 12.036 -9.731 1.00 0.00 N ATOM 0 H GLN A 12 -3.884 8.162 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.067 8.460 -10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.183 8.613 -9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.741 9.073 -11.146 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.612 10.372 -8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.402 11.011 -9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.910 12.222 -8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.841 12.554 -10.211 1.00 0.00 H new ATOM 204 N LEU A 13 -3.501 5.769 -9.668 1.00 0.00 N ATOM 205 CA LEU A 13 -2.986 4.468 -10.068 1.00 0.00 C ATOM 206 C LEU A 13 -4.040 3.377 -9.900 1.00 0.00 C ATOM 207 O LEU A 13 -3.752 2.194 -10.084 1.00 0.00 O ATOM 208 CB LEU A 13 -1.745 4.134 -9.237 1.00 0.00 C ATOM 209 CG LEU A 13 -0.558 5.074 -9.443 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.562 4.735 -8.474 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.065 4.999 -10.880 1.00 0.00 C ATOM 0 H LEU A 13 -3.587 5.891 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.720 4.512 -11.124 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.019 4.145 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.430 3.118 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.885 6.095 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.400 5.414 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.201 4.839 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.890 3.709 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.781 5.674 -11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.247 3.979 -11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.869 5.290 -11.556 1.00 0.00 H new ATOM 223 N THR A 14 -5.263 3.788 -9.584 1.00 0.00 N ATOM 224 CA THR A 14 -6.354 2.853 -9.321 1.00 0.00 C ATOM 225 C THR A 14 -6.627 1.927 -10.507 1.00 0.00 C ATOM 226 O THR A 14 -7.036 0.780 -10.330 1.00 0.00 O ATOM 227 CB THR A 14 -7.642 3.610 -8.953 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.783 4.770 -9.788 1.00 0.00 O ATOM 229 CG2 THR A 14 -7.624 4.018 -7.493 1.00 0.00 C ATOM 0 H THR A 14 -5.526 4.770 -9.503 1.00 0.00 H new ATOM 0 HA THR A 14 -6.039 2.235 -8.480 1.00 0.00 H new ATOM 0 HB THR A 14 -8.492 2.948 -9.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.350 5.537 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.543 4.552 -7.253 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.547 3.129 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.768 4.667 -7.307 1.00 0.00 H new ATOM 237 N GLY A 15 -6.420 2.428 -11.713 1.00 0.00 N ATOM 238 CA GLY A 15 -6.591 1.605 -12.890 1.00 0.00 C ATOM 239 C GLY A 15 -5.289 0.962 -13.320 1.00 0.00 C ATOM 240 O GLY A 15 -5.263 -0.196 -13.732 1.00 0.00 O ATOM 0 H GLY A 15 -6.137 3.390 -11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.330 0.830 -12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.983 2.213 -13.705 1.00 0.00 H new ATOM 244 N LYS A 16 -4.208 1.724 -13.195 1.00 0.00 N ATOM 245 CA LYS A 16 -2.887 1.308 -13.654 1.00 0.00 C ATOM 246 C LYS A 16 -2.382 0.083 -12.892 1.00 0.00 C ATOM 247 O LYS A 16 -1.857 -0.857 -13.492 1.00 0.00 O ATOM 248 CB LYS A 16 -1.905 2.475 -13.496 1.00 0.00 C ATOM 249 CG LYS A 16 -0.619 2.317 -14.288 1.00 0.00 C ATOM 250 CD LYS A 16 -0.892 2.261 -15.783 1.00 0.00 C ATOM 251 CE LYS A 16 0.397 2.245 -16.586 1.00 0.00 C ATOM 252 NZ LYS A 16 0.141 2.081 -18.039 1.00 0.00 N ATOM 0 H LYS A 16 -4.223 2.651 -12.771 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.962 1.027 -14.705 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.399 3.396 -13.806 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.657 2.587 -12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.049 3.150 -14.070 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.107 1.407 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.476 1.370 -16.014 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.493 3.121 -16.076 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.942 3.173 -16.416 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.033 1.432 -16.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.045 2.075 -18.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.357 1.183 -18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.445 2.870 -18.379 1.00 0.00 H new ATOM 266 N ILE A 17 -2.552 0.087 -11.574 1.00 0.00 N ATOM 267 CA ILE A 17 -2.112 -1.030 -10.741 1.00 0.00 C ATOM 268 C ILE A 17 -2.853 -2.313 -11.123 1.00 0.00 C ATOM 269 O ILE A 17 -2.267 -3.399 -11.165 1.00 0.00 O ATOM 270 CB ILE A 17 -2.332 -0.735 -9.239 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.495 0.472 -8.806 1.00 0.00 C ATOM 272 CG2 ILE A 17 -1.982 -1.950 -8.394 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.693 0.863 -7.357 1.00 0.00 C ATOM 0 H ILE A 17 -2.991 0.850 -11.059 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.044 -1.164 -10.915 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.386 -0.504 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.441 0.250 -8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.745 1.323 -9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.144 -1.720 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.615 -2.789 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.936 -2.213 -8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.068 1.725 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.739 1.117 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.414 0.028 -6.714 1.00 0.00 H new ATOM 285 N LYS A 18 -4.134 -2.170 -11.436 1.00 0.00 N ATOM 286 CA LYS A 18 -4.966 -3.308 -11.804 1.00 0.00 C ATOM 287 C LYS A 18 -4.528 -3.880 -13.154 1.00 0.00 C ATOM 288 O LYS A 18 -4.669 -5.076 -13.412 1.00 0.00 O ATOM 289 CB LYS A 18 -6.442 -2.889 -11.839 1.00 0.00 C ATOM 290 CG LYS A 18 -7.410 -4.036 -12.078 1.00 0.00 C ATOM 291 CD LYS A 18 -8.850 -3.620 -11.817 1.00 0.00 C ATOM 292 CE LYS A 18 -9.266 -2.436 -12.676 1.00 0.00 C ATOM 293 NZ LYS A 18 -10.696 -2.084 -12.479 1.00 0.00 N ATOM 0 H LYS A 18 -4.621 -1.274 -11.442 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.846 -4.090 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.694 -2.407 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.578 -2.144 -12.623 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.313 -4.386 -13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.150 -4.873 -11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.512 -4.463 -12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.968 -3.363 -10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.643 -1.575 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.091 -2.670 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.962 -1.329 -13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.287 -2.922 -12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.841 -1.755 -11.503 1.00 0.00 H new ATOM 307 N GLU A 19 -3.980 -3.023 -14.004 1.00 0.00 N ATOM 308 CA GLU A 19 -3.469 -3.439 -15.290 1.00 0.00 C ATOM 309 C GLU A 19 -2.113 -4.126 -15.139 1.00 0.00 C ATOM 310 O GLU A 19 -1.782 -5.038 -15.893 1.00 0.00 O ATOM 311 CB GLU A 19 -3.348 -2.221 -16.195 1.00 0.00 C ATOM 312 CG GLU A 19 -4.678 -1.549 -16.489 1.00 0.00 C ATOM 313 CD GLU A 19 -5.678 -2.490 -17.129 1.00 0.00 C ATOM 314 OE1 GLU A 19 -5.549 -2.766 -18.339 1.00 0.00 O ATOM 315 OE2 GLU A 19 -6.606 -2.951 -16.432 1.00 0.00 O ATOM 0 H GLU A 19 -3.880 -2.025 -13.817 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.159 -4.157 -15.733 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.680 -1.497 -15.729 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.886 -2.522 -17.135 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.096 -1.157 -15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.512 -0.697 -17.149 1.00 0.00 H new ATOM 322 N ARG A 20 -1.335 -3.676 -14.158 1.00 0.00 N ATOM 323 CA ARG A 20 -0.031 -4.263 -13.876 1.00 0.00 C ATOM 324 C ARG A 20 -0.184 -5.702 -13.389 1.00 0.00 C ATOM 325 O ARG A 20 0.554 -6.588 -13.819 1.00 0.00 O ATOM 326 CB ARG A 20 0.712 -3.418 -12.832 1.00 0.00 C ATOM 327 CG ARG A 20 2.063 -3.980 -12.382 1.00 0.00 C ATOM 328 CD ARG A 20 3.101 -3.989 -13.497 1.00 0.00 C ATOM 329 NE ARG A 20 2.972 -5.152 -14.375 1.00 0.00 N ATOM 330 CZ ARG A 20 3.948 -5.607 -15.168 1.00 0.00 C ATOM 331 NH1 ARG A 20 5.148 -5.035 -15.160 1.00 0.00 N ATOM 332 NH2 ARG A 20 3.732 -6.660 -15.944 1.00 0.00 N ATOM 0 H ARG A 20 -1.588 -2.903 -13.543 1.00 0.00 H new ATOM 0 HA ARG A 20 0.553 -4.275 -14.797 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.869 -2.420 -13.241 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.073 -3.307 -11.956 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.438 -3.387 -11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.924 -4.996 -12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.002 -3.079 -14.088 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.099 -3.977 -13.059 1.00 0.00 H new ATOM 0 HE ARG A 20 2.081 -5.648 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.331 -4.242 -14.545 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.886 -5.389 -15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.823 -7.122 -15.936 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.475 -7.008 -16.549 1.00 0.00 H new ATOM 346 N TRP A 21 -1.142 -5.931 -12.502 1.00 0.00 N ATOM 347 CA TRP A 21 -1.382 -7.272 -11.984 1.00 0.00 C ATOM 348 C TRP A 21 -2.723 -7.823 -12.470 1.00 0.00 C ATOM 349 O TRP A 21 -2.798 -8.397 -13.557 1.00 0.00 O ATOM 350 CB TRP A 21 -1.271 -7.285 -10.456 1.00 0.00 C ATOM 351 CG TRP A 21 0.145 -7.107 -9.990 1.00 0.00 C ATOM 352 CD1 TRP A 21 1.134 -8.047 -10.023 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.738 -5.922 -9.439 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.303 -7.520 -9.530 1.00 0.00 N ATOM 355 CE2 TRP A 21 2.086 -6.219 -9.161 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.262 -4.639 -9.152 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.960 -5.284 -8.613 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.134 -3.713 -8.607 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.468 -4.039 -8.343 1.00 0.00 C ATOM 0 H TRP A 21 -1.762 -5.212 -12.128 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.611 -7.936 -12.374 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.891 -6.490 -10.041 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.662 -8.227 -10.073 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.015 -9.058 -10.384 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.190 -8.018 -9.451 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.766 -4.376 -9.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.991 -5.534 -8.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.777 -2.719 -8.381 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.122 -3.292 -7.917 1.00 0.00 H new ATOM 370 N GLY A 22 -3.781 -7.650 -11.692 1.00 0.00 N ATOM 371 CA GLY A 22 -5.088 -8.082 -12.157 1.00 0.00 C ATOM 372 C GLY A 22 -6.040 -8.503 -11.052 1.00 0.00 C ATOM 373 O GLY A 22 -7.195 -8.082 -11.044 1.00 0.00 O ATOM 0 H GLY A 22 -3.764 -7.227 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.545 -7.271 -12.724 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.957 -8.917 -12.845 1.00 0.00 H new ATOM 377 N ASP A 23 -5.566 -9.325 -10.119 1.00 0.00 N ATOM 378 CA ASP A 23 -6.438 -9.896 -9.082 1.00 0.00 C ATOM 379 C ASP A 23 -6.831 -8.836 -8.061 1.00 0.00 C ATOM 380 O ASP A 23 -7.840 -8.966 -7.372 1.00 0.00 O ATOM 381 CB ASP A 23 -5.748 -11.076 -8.385 1.00 0.00 C ATOM 382 CG ASP A 23 -6.693 -11.892 -7.516 1.00 0.00 C ATOM 383 OD1 ASP A 23 -7.530 -12.634 -8.072 1.00 0.00 O ATOM 384 OD2 ASP A 23 -6.586 -11.832 -6.275 1.00 0.00 O ATOM 0 H ASP A 23 -4.589 -9.613 -10.055 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.344 -10.260 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.304 -11.726 -9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.932 -10.699 -7.769 1.00 0.00 H new ATOM 389 N LEU A 24 -6.025 -7.787 -7.976 1.00 0.00 N ATOM 390 CA LEU A 24 -6.309 -6.661 -7.093 1.00 0.00 C ATOM 391 C LEU A 24 -7.588 -5.949 -7.530 1.00 0.00 C ATOM 392 O LEU A 24 -7.661 -5.411 -8.637 1.00 0.00 O ATOM 393 CB LEU A 24 -5.132 -5.680 -7.105 1.00 0.00 C ATOM 394 CG LEU A 24 -3.799 -6.245 -6.605 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.677 -5.244 -6.832 1.00 0.00 C ATOM 396 CD2 LEU A 24 -3.893 -6.607 -5.131 1.00 0.00 C ATOM 0 H LEU A 24 -5.162 -7.691 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.450 -7.038 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.994 -5.317 -8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.394 -4.817 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.576 -7.150 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.738 -5.662 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.592 -5.028 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.896 -4.323 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.937 -7.007 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.139 -5.716 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.671 -7.358 -4.990 1.00 0.00 H new ATOM 408 N THR A 25 -8.597 -5.960 -6.669 1.00 0.00 N ATOM 409 CA THR A 25 -9.866 -5.328 -6.984 1.00 0.00 C ATOM 410 C THR A 25 -9.819 -3.829 -6.711 1.00 0.00 C ATOM 411 O THR A 25 -8.857 -3.320 -6.134 1.00 0.00 O ATOM 412 CB THR A 25 -11.025 -5.968 -6.199 1.00 0.00 C ATOM 413 OG1 THR A 25 -10.688 -6.070 -4.812 1.00 0.00 O ATOM 414 CG2 THR A 25 -11.353 -7.342 -6.752 1.00 0.00 C ATOM 0 H THR A 25 -8.559 -6.399 -5.749 1.00 0.00 H new ATOM 0 HA THR A 25 -10.044 -5.483 -8.048 1.00 0.00 H new ATOM 0 HB THR A 25 -11.902 -5.330 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.371 -5.617 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.175 -7.777 -6.183 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.644 -7.253 -7.799 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.477 -7.985 -6.672 1.00 0.00 H new ATOM 422 N ASP A 26 -10.875 -3.131 -7.106 1.00 0.00 N ATOM 423 CA ASP A 26 -10.907 -1.675 -7.033 1.00 0.00 C ATOM 424 C ASP A 26 -11.024 -1.202 -5.589 1.00 0.00 C ATOM 425 O ASP A 26 -10.704 -0.058 -5.277 1.00 0.00 O ATOM 426 CB ASP A 26 -12.070 -1.119 -7.860 1.00 0.00 C ATOM 427 CG ASP A 26 -12.012 -1.545 -9.315 1.00 0.00 C ATOM 428 OD1 ASP A 26 -11.224 -0.956 -10.086 1.00 0.00 O ATOM 429 OD2 ASP A 26 -12.761 -2.468 -9.699 1.00 0.00 O ATOM 0 H ASP A 26 -11.725 -3.551 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.970 -1.301 -7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.012 -1.454 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.062 -0.030 -7.804 1.00 0.00 H new ATOM 434 N ASP A 27 -11.482 -2.084 -4.708 1.00 0.00 N ATOM 435 CA ASP A 27 -11.589 -1.748 -3.292 1.00 0.00 C ATOM 436 C ASP A 27 -10.249 -1.942 -2.595 1.00 0.00 C ATOM 437 O ASP A 27 -9.949 -1.261 -1.617 1.00 0.00 O ATOM 438 CB ASP A 27 -12.674 -2.579 -2.597 1.00 0.00 C ATOM 439 CG ASP A 27 -12.371 -4.060 -2.602 1.00 0.00 C ATOM 440 OD1 ASP A 27 -12.622 -4.712 -3.635 1.00 0.00 O ATOM 441 OD2 ASP A 27 -11.884 -4.580 -1.578 1.00 0.00 O ATOM 0 H ASP A 27 -11.783 -3.029 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.875 -0.699 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.782 -2.238 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.630 -2.407 -3.092 1.00 0.00 H new ATOM 446 N ASP A 28 -9.438 -2.866 -3.104 1.00 0.00 N ATOM 447 CA ASP A 28 -8.082 -3.043 -2.590 1.00 0.00 C ATOM 448 C ASP A 28 -7.194 -1.938 -3.124 1.00 0.00 C ATOM 449 O ASP A 28 -6.183 -1.582 -2.519 1.00 0.00 O ATOM 450 CB ASP A 28 -7.507 -4.410 -2.970 1.00 0.00 C ATOM 451 CG ASP A 28 -8.011 -5.525 -2.078 1.00 0.00 C ATOM 452 OD1 ASP A 28 -8.029 -5.338 -0.842 1.00 0.00 O ATOM 453 OD2 ASP A 28 -8.397 -6.588 -2.603 1.00 0.00 O ATOM 0 H ASP A 28 -9.692 -3.498 -3.864 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.120 -2.995 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.766 -4.633 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.419 -4.370 -2.915 1.00 0.00 H new ATOM 458 N LEU A 29 -7.599 -1.384 -4.256 1.00 0.00 N ATOM 459 CA LEU A 29 -6.900 -0.263 -4.859 1.00 0.00 C ATOM 460 C LEU A 29 -7.520 1.050 -4.394 1.00 0.00 C ATOM 461 O LEU A 29 -7.352 2.093 -5.018 1.00 0.00 O ATOM 462 CB LEU A 29 -6.941 -0.377 -6.381 1.00 0.00 C ATOM 463 CG LEU A 29 -6.315 -1.658 -6.933 1.00 0.00 C ATOM 464 CD1 LEU A 29 -6.378 -1.677 -8.448 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.876 -1.799 -6.457 1.00 0.00 C ATOM 0 H LEU A 29 -8.417 -1.697 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.857 -0.280 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.979 -0.323 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.425 0.481 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.887 -2.506 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.927 -2.597 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.418 -1.627 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.834 -0.820 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.448 -2.717 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.293 -0.945 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.855 -1.837 -5.368 1.00 0.00 H new ATOM 477 N GLN A 30 -8.229 0.978 -3.280 1.00 0.00 N ATOM 478 CA GLN A 30 -8.792 2.148 -2.632 1.00 0.00 C ATOM 479 C GLN A 30 -8.679 1.940 -1.125 1.00 0.00 C ATOM 480 O GLN A 30 -8.158 0.905 -0.695 1.00 0.00 O ATOM 481 CB GLN A 30 -10.251 2.353 -3.063 1.00 0.00 C ATOM 482 CG GLN A 30 -10.809 3.739 -2.756 1.00 0.00 C ATOM 483 CD GLN A 30 -10.042 4.859 -3.444 1.00 0.00 C ATOM 484 OE1 GLN A 30 -10.346 5.233 -4.577 1.00 0.00 O ATOM 485 NE2 GLN A 30 -9.058 5.423 -2.756 1.00 0.00 N ATOM 0 H GLN A 30 -8.431 0.102 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.249 3.048 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.329 2.172 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.872 1.607 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.854 3.780 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.788 3.902 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.833 5.088 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.526 6.192 -3.164 1.00 0.00 H new ATOM 494 N ALA A 31 -9.149 2.904 -0.329 1.00 0.00 N ATOM 495 CA ALA A 31 -9.044 2.821 1.129 1.00 0.00 C ATOM 496 C ALA A 31 -7.580 2.709 1.543 1.00 0.00 C ATOM 497 O ALA A 31 -7.219 1.923 2.422 1.00 0.00 O ATOM 498 CB ALA A 31 -9.844 1.636 1.649 1.00 0.00 C ATOM 0 H ALA A 31 -9.605 3.750 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.458 3.730 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.757 1.586 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.892 1.756 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.457 0.716 1.212 1.00 0.00 H new ATOM 504 N ALA A 32 -6.748 3.521 0.908 1.00 0.00 N ATOM 505 CA ALA A 32 -5.306 3.442 1.075 1.00 0.00 C ATOM 506 C ALA A 32 -4.863 3.835 2.471 1.00 0.00 C ATOM 507 O ALA A 32 -5.430 4.733 3.088 1.00 0.00 O ATOM 508 CB ALA A 32 -4.612 4.338 0.070 1.00 0.00 C ATOM 0 H ALA A 32 -7.053 4.251 0.264 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.028 2.401 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.533 4.270 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.871 4.021 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.932 5.369 0.220 1.00 0.00 H new ATOM 514 N ASP A 33 -3.837 3.154 2.958 1.00 0.00 N ATOM 515 CA ASP A 33 -3.150 3.582 4.164 1.00 0.00 C ATOM 516 C ASP A 33 -2.195 4.715 3.792 1.00 0.00 C ATOM 517 O ASP A 33 -1.731 5.470 4.639 1.00 0.00 O ATOM 518 CB ASP A 33 -2.397 2.406 4.795 1.00 0.00 C ATOM 519 CG ASP A 33 -1.848 2.720 6.175 1.00 0.00 C ATOM 520 OD1 ASP A 33 -2.639 2.775 7.137 1.00 0.00 O ATOM 521 OD2 ASP A 33 -0.621 2.887 6.303 1.00 0.00 O ATOM 0 H ASP A 33 -3.463 2.304 2.536 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.868 3.939 4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.067 1.549 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.575 2.116 4.141 1.00 0.00 H new ATOM 526 N GLY A 34 -1.915 4.813 2.490 1.00 0.00 N ATOM 527 CA GLY A 34 -1.210 5.960 1.949 1.00 0.00 C ATOM 528 C GLY A 34 0.291 5.778 1.863 1.00 0.00 C ATOM 529 O GLY A 34 1.037 6.586 2.414 1.00 0.00 O ATOM 0 H GLY A 34 -2.169 4.108 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.597 6.174 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.425 6.831 2.569 1.00 0.00 H new ATOM 533 N HIS A 35 0.738 4.724 1.167 1.00 0.00 N ATOM 534 CA HIS A 35 2.169 4.473 0.954 1.00 0.00 C ATOM 535 C HIS A 35 2.398 3.133 0.250 1.00 0.00 C ATOM 536 O HIS A 35 1.562 2.230 0.335 1.00 0.00 O ATOM 537 CB HIS A 35 2.952 4.509 2.278 1.00 0.00 C ATOM 538 CG HIS A 35 2.520 3.475 3.274 1.00 0.00 C ATOM 539 ND1 HIS A 35 3.312 2.431 3.664 1.00 0.00 N ATOM 540 CD2 HIS A 35 1.370 3.344 3.963 1.00 0.00 C ATOM 541 CE1 HIS A 35 2.665 1.695 4.550 1.00 0.00 C ATOM 542 NE2 HIS A 35 1.483 2.233 4.750 1.00 0.00 N ATOM 0 H HIS A 35 0.126 4.029 0.740 1.00 0.00 H new ATOM 0 HA HIS A 35 2.540 5.273 0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.012 4.371 2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.843 5.497 2.725 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.513 3.999 3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.043 0.803 5.028 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.769 1.880 5.387 1.00 0.00 H new ATOM 551 N ALA A 36 3.535 3.024 -0.432 1.00 0.00 N ATOM 552 CA ALA A 36 3.897 1.837 -1.211 1.00 0.00 C ATOM 553 C ALA A 36 3.908 0.557 -0.381 1.00 0.00 C ATOM 554 O ALA A 36 3.522 -0.499 -0.874 1.00 0.00 O ATOM 555 CB ALA A 36 5.258 2.031 -1.860 1.00 0.00 C ATOM 0 H ALA A 36 4.239 3.762 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 36 3.127 1.721 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.516 1.143 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.225 2.896 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.010 2.194 -1.088 1.00 0.00 H new ATOM 561 N GLU A 37 4.357 0.641 0.871 1.00 0.00 N ATOM 562 CA GLU A 37 4.418 -0.543 1.734 1.00 0.00 C ATOM 563 C GLU A 37 3.038 -1.182 1.893 1.00 0.00 C ATOM 564 O GLU A 37 2.923 -2.382 2.133 1.00 0.00 O ATOM 565 CB GLU A 37 4.984 -0.198 3.113 1.00 0.00 C ATOM 566 CG GLU A 37 6.377 0.410 3.073 1.00 0.00 C ATOM 567 CD GLU A 37 6.350 1.900 3.318 1.00 0.00 C ATOM 568 OE1 GLU A 37 5.723 2.621 2.517 1.00 0.00 O ATOM 569 OE2 GLU A 37 6.920 2.352 4.333 1.00 0.00 O ATOM 0 H GLU A 37 4.681 1.504 1.308 1.00 0.00 H new ATOM 0 HA GLU A 37 5.085 -1.257 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.308 0.499 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.010 -1.102 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.004 -0.070 3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.832 0.210 2.103 1.00 0.00 H new ATOM 576 N TYR A 38 1.993 -0.377 1.735 1.00 0.00 N ATOM 577 CA TYR A 38 0.630 -0.877 1.824 1.00 0.00 C ATOM 578 C TYR A 38 0.298 -1.707 0.588 1.00 0.00 C ATOM 579 O TYR A 38 -0.433 -2.691 0.665 1.00 0.00 O ATOM 580 CB TYR A 38 -0.357 0.285 1.975 1.00 0.00 C ATOM 581 CG TYR A 38 -1.799 -0.149 2.095 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.211 -0.964 3.139 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.747 0.253 1.162 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.528 -1.370 3.253 1.00 0.00 C ATOM 585 CE2 TYR A 38 -4.066 -0.147 1.269 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.451 -0.956 2.316 1.00 0.00 C ATOM 587 OH TYR A 38 -5.764 -1.352 2.432 1.00 0.00 O ATOM 0 H TYR A 38 2.065 0.623 1.545 1.00 0.00 H new ATOM 0 HA TYR A 38 0.544 -1.513 2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.088 0.865 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.257 0.948 1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.491 -1.287 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.449 0.888 0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.832 -2.007 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.791 0.173 0.536 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.286 -0.975 1.693 1.00 0.00 H new ATOM 597 N LEU A 39 0.860 -1.310 -0.548 1.00 0.00 N ATOM 598 CA LEU A 39 0.691 -2.058 -1.783 1.00 0.00 C ATOM 599 C LEU A 39 1.440 -3.381 -1.685 1.00 0.00 C ATOM 600 O LEU A 39 0.944 -4.423 -2.112 1.00 0.00 O ATOM 601 CB LEU A 39 1.209 -1.247 -2.976 1.00 0.00 C ATOM 602 CG LEU A 39 0.880 -1.836 -4.346 1.00 0.00 C ATOM 603 CD1 LEU A 39 -0.624 -1.859 -4.562 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.567 -1.046 -5.449 1.00 0.00 C ATOM 0 H LEU A 39 1.437 -0.473 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.370 -2.255 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.794 -0.241 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.291 -1.151 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 39 1.251 -2.860 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.844 -2.281 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.093 -2.469 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.015 -0.843 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.320 -1.482 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.228 -0.010 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.646 -1.079 -5.302 1.00 0.00 H new ATOM 616 N VAL A 40 2.635 -3.329 -1.100 1.00 0.00 N ATOM 617 CA VAL A 40 3.424 -4.531 -0.851 1.00 0.00 C ATOM 618 C VAL A 40 2.642 -5.496 0.034 1.00 0.00 C ATOM 619 O VAL A 40 2.553 -6.692 -0.253 1.00 0.00 O ATOM 620 CB VAL A 40 4.771 -4.190 -0.173 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.591 -5.445 0.076 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.559 -3.200 -1.014 1.00 0.00 C ATOM 0 H VAL A 40 3.078 -2.464 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 40 3.631 -4.998 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 40 4.553 -3.730 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.533 -5.175 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.035 -6.120 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.794 -5.941 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.503 -2.973 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.758 -3.633 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.982 -2.283 -1.132 1.00 0.00 H new ATOM 632 N GLY A 41 2.061 -4.960 1.103 1.00 0.00 N ATOM 633 CA GLY A 41 1.229 -5.757 1.981 1.00 0.00 C ATOM 634 C GLY A 41 0.048 -6.362 1.250 1.00 0.00 C ATOM 635 O GLY A 41 -0.282 -7.532 1.448 1.00 0.00 O ATOM 0 H GLY A 41 2.154 -3.982 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.828 -6.553 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.868 -5.136 2.801 1.00 0.00 H new ATOM 639 N LYS A 42 -0.578 -5.569 0.389 1.00 0.00 N ATOM 640 CA LYS A 42 -1.710 -6.031 -0.404 1.00 0.00 C ATOM 641 C LYS A 42 -1.305 -7.143 -1.366 1.00 0.00 C ATOM 642 O LYS A 42 -2.099 -8.032 -1.660 1.00 0.00 O ATOM 643 CB LYS A 42 -2.344 -4.861 -1.164 1.00 0.00 C ATOM 644 CG LYS A 42 -3.317 -4.060 -0.316 1.00 0.00 C ATOM 645 CD LYS A 42 -4.544 -4.890 0.023 1.00 0.00 C ATOM 646 CE LYS A 42 -5.418 -4.220 1.065 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.634 -5.024 1.360 1.00 0.00 N ATOM 0 H LYS A 42 -0.319 -4.597 0.222 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.450 -6.444 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.556 -4.200 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.865 -5.245 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.826 -3.736 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.618 -3.159 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.127 -5.061 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.230 -5.868 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.846 -4.075 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.712 -3.231 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.241 -4.504 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.157 -5.199 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.355 -5.932 1.783 1.00 0.00 H new ATOM 661 N LEU A 43 -0.068 -7.105 -1.844 1.00 0.00 N ATOM 662 CA LEU A 43 0.440 -8.163 -2.711 1.00 0.00 C ATOM 663 C LEU A 43 0.604 -9.461 -1.929 1.00 0.00 C ATOM 664 O LEU A 43 0.343 -10.545 -2.445 1.00 0.00 O ATOM 665 CB LEU A 43 1.773 -7.757 -3.347 1.00 0.00 C ATOM 666 CG LEU A 43 1.691 -6.586 -4.327 1.00 0.00 C ATOM 667 CD1 LEU A 43 3.069 -6.248 -4.871 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.734 -6.906 -5.466 1.00 0.00 C ATOM 0 H LEU A 43 0.599 -6.359 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.286 -8.323 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.473 -7.498 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.187 -8.620 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 43 1.309 -5.718 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.991 -5.412 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.728 -5.974 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.478 -7.115 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.690 -6.060 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.086 -7.789 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.260 -7.099 -5.063 1.00 0.00 H new ATOM 680 N GLN A 44 1.020 -9.344 -0.674 1.00 0.00 N ATOM 681 CA GLN A 44 1.168 -10.506 0.197 1.00 0.00 C ATOM 682 C GLN A 44 -0.192 -10.990 0.692 1.00 0.00 C ATOM 683 O GLN A 44 -0.341 -12.135 1.118 1.00 0.00 O ATOM 684 CB GLN A 44 2.055 -10.166 1.394 1.00 0.00 C ATOM 685 CG GLN A 44 3.479 -9.795 1.020 1.00 0.00 C ATOM 686 CD GLN A 44 4.338 -9.527 2.236 1.00 0.00 C ATOM 687 OE1 GLN A 44 4.449 -8.389 2.699 1.00 0.00 O ATOM 688 NE2 GLN A 44 4.939 -10.576 2.772 1.00 0.00 N ATOM 0 H GLN A 44 1.261 -8.455 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 44 1.636 -11.302 -0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.606 -9.338 1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.078 -11.020 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.921 -10.602 0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.467 -8.910 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.820 -11.500 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.522 -10.461 3.601 1.00 0.00 H new ATOM 697 N GLU A 45 -1.177 -10.106 0.634 1.00 0.00 N ATOM 698 CA GLU A 45 -2.522 -10.410 1.108 1.00 0.00 C ATOM 699 C GLU A 45 -3.373 -11.014 -0.008 1.00 0.00 C ATOM 700 O GLU A 45 -3.976 -12.072 0.161 1.00 0.00 O ATOM 701 CB GLU A 45 -3.179 -9.133 1.631 1.00 0.00 C ATOM 702 CG GLU A 45 -4.551 -9.345 2.247 1.00 0.00 C ATOM 703 CD GLU A 45 -5.209 -8.037 2.630 1.00 0.00 C ATOM 704 OE1 GLU A 45 -4.844 -7.464 3.681 1.00 0.00 O ATOM 705 OE2 GLU A 45 -6.088 -7.569 1.881 1.00 0.00 O ATOM 0 H GLU A 45 -1.069 -9.163 0.260 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.449 -11.142 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.525 -8.680 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.268 -8.421 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.187 -9.878 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.458 -9.976 3.131 1.00 0.00 H new ATOM 712 N ARG A 46 -3.411 -10.335 -1.147 1.00 0.00 N ATOM 713 CA ARG A 46 -4.248 -10.753 -2.265 1.00 0.00 C ATOM 714 C ARG A 46 -3.608 -11.918 -3.022 1.00 0.00 C ATOM 715 O ARG A 46 -4.270 -12.905 -3.336 1.00 0.00 O ATOM 716 CB ARG A 46 -4.476 -9.570 -3.212 1.00 0.00 C ATOM 717 CG ARG A 46 -5.580 -9.797 -4.232 1.00 0.00 C ATOM 718 CD ARG A 46 -6.956 -9.762 -3.585 1.00 0.00 C ATOM 719 NE ARG A 46 -7.997 -10.232 -4.494 1.00 0.00 N ATOM 720 CZ ARG A 46 -9.218 -9.704 -4.576 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.512 -8.582 -3.932 1.00 0.00 N ATOM 722 NH2 ARG A 46 -10.139 -10.279 -5.340 1.00 0.00 N ATOM 0 H ARG A 46 -2.869 -9.488 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.207 -11.091 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.718 -8.686 -2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.547 -9.356 -3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.522 -9.033 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.432 -10.760 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.951 -10.381 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.183 -8.744 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.775 -11.016 -5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.801 -8.116 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.449 -8.185 -4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.912 -11.124 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.074 -9.875 -5.403 1.00 0.00 H new ATOM 736 N TYR A 47 -2.317 -11.801 -3.308 1.00 0.00 N ATOM 737 CA TYR A 47 -1.599 -12.843 -4.035 1.00 0.00 C ATOM 738 C TYR A 47 -0.904 -13.797 -3.076 1.00 0.00 C ATOM 739 O TYR A 47 -1.057 -15.014 -3.175 1.00 0.00 O ATOM 740 CB TYR A 47 -0.573 -12.228 -4.989 1.00 0.00 C ATOM 741 CG TYR A 47 -1.180 -11.622 -6.235 1.00 0.00 C ATOM 742 CD1 TYR A 47 -1.699 -10.333 -6.231 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.230 -12.347 -7.419 1.00 0.00 C ATOM 744 CE1 TYR A 47 -2.254 -9.786 -7.372 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.782 -11.806 -8.563 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.292 -10.528 -8.534 1.00 0.00 C ATOM 747 OH TYR A 47 -2.850 -9.993 -9.674 1.00 0.00 O ATOM 0 H TYR A 47 -1.746 -10.997 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.330 -13.405 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.014 -11.458 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.142 -12.997 -5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.668 -9.750 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.831 -13.350 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.656 -8.784 -7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.813 -12.383 -9.476 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.795 -10.646 -10.403 1.00 0.00 H new ATOM 757 N GLY A 48 -0.129 -13.239 -2.160 1.00 0.00 N ATOM 758 CA GLY A 48 0.538 -14.050 -1.164 1.00 0.00 C ATOM 759 C GLY A 48 1.947 -14.424 -1.558 1.00 0.00 C ATOM 760 O GLY A 48 2.365 -15.563 -1.371 1.00 0.00 O ATOM 0 H GLY A 48 0.050 -12.237 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.562 -13.508 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.040 -14.959 -0.996 1.00 0.00 H new ATOM 764 N TRP A 49 2.684 -13.472 -2.111 1.00 0.00 N ATOM 765 CA TRP A 49 4.086 -13.696 -2.431 1.00 0.00 C ATOM 766 C TRP A 49 4.941 -13.377 -1.217 1.00 0.00 C ATOM 767 O TRP A 49 4.429 -12.932 -0.188 1.00 0.00 O ATOM 768 CB TRP A 49 4.547 -12.821 -3.597 1.00 0.00 C ATOM 769 CG TRP A 49 3.741 -12.974 -4.848 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.199 -14.120 -5.356 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.412 -11.932 -5.765 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.538 -13.843 -6.528 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.655 -12.507 -6.799 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.681 -10.563 -5.804 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.164 -11.759 -7.864 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.194 -9.820 -6.860 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.441 -10.419 -7.877 1.00 0.00 C ATOM 0 H TRP A 49 2.337 -12.542 -2.346 1.00 0.00 H new ATOM 0 HA TRP A 49 4.196 -14.742 -2.718 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.515 -11.777 -3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.588 -13.055 -3.820 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.278 -15.098 -4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.041 -14.523 -7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.260 -10.094 -5.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.585 -12.219 -8.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.397 -8.760 -6.903 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.071 -9.811 -8.689 1.00 0.00 H new ATOM 788 N SER A 50 6.236 -13.596 -1.340 1.00 0.00 N ATOM 789 CA SER A 50 7.169 -13.199 -0.303 1.00 0.00 C ATOM 790 C SER A 50 7.323 -11.679 -0.317 1.00 0.00 C ATOM 791 O SER A 50 7.078 -11.040 -1.344 1.00 0.00 O ATOM 792 CB SER A 50 8.512 -13.884 -0.535 1.00 0.00 C ATOM 793 OG SER A 50 8.337 -15.275 -0.765 1.00 0.00 O ATOM 0 H SER A 50 6.666 -14.047 -2.148 1.00 0.00 H new ATOM 0 HA SER A 50 6.792 -13.502 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.014 -13.430 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.157 -13.732 0.331 1.00 0.00 H new ATOM 0 HG SER A 50 9.210 -15.694 -0.913 1.00 0.00 H new ATOM 799 N LYS A 51 7.719 -11.106 0.811 1.00 0.00 N ATOM 800 CA LYS A 51 7.830 -9.655 0.935 1.00 0.00 C ATOM 801 C LYS A 51 8.812 -9.087 -0.086 1.00 0.00 C ATOM 802 O LYS A 51 8.508 -8.112 -0.773 1.00 0.00 O ATOM 803 CB LYS A 51 8.255 -9.278 2.353 1.00 0.00 C ATOM 804 CG LYS A 51 8.402 -7.781 2.578 1.00 0.00 C ATOM 805 CD LYS A 51 8.579 -7.469 4.053 1.00 0.00 C ATOM 806 CE LYS A 51 7.341 -7.852 4.845 1.00 0.00 C ATOM 807 NZ LYS A 51 7.577 -7.790 6.308 1.00 0.00 N ATOM 0 H LYS A 51 7.969 -11.622 1.655 1.00 0.00 H new ATOM 0 HA LYS A 51 6.851 -9.221 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.522 -9.670 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.205 -9.764 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.259 -7.408 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.522 -7.264 2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.444 -8.008 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.782 -6.406 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.521 -7.184 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.032 -8.860 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.708 -8.059 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.342 -8.446 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.847 -6.822 6.575 1.00 0.00 H new ATOM 821 N GLU A 52 9.980 -9.707 -0.192 1.00 0.00 N ATOM 822 CA GLU A 52 10.993 -9.267 -1.143 1.00 0.00 C ATOM 823 C GLU A 52 10.470 -9.391 -2.572 1.00 0.00 C ATOM 824 O GLU A 52 10.638 -8.482 -3.385 1.00 0.00 O ATOM 825 CB GLU A 52 12.270 -10.089 -0.969 1.00 0.00 C ATOM 826 CG GLU A 52 13.424 -9.618 -1.836 1.00 0.00 C ATOM 827 CD GLU A 52 14.713 -10.341 -1.522 1.00 0.00 C ATOM 828 OE1 GLU A 52 15.322 -10.043 -0.474 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.127 -11.205 -2.321 1.00 0.00 O ATOM 0 H GLU A 52 10.250 -10.516 0.368 1.00 0.00 H new ATOM 0 HA GLU A 52 11.223 -8.219 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.575 -10.053 0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.055 -11.132 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.172 -9.770 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.568 -8.547 -1.694 1.00 0.00 H new ATOM 836 N ARG A 53 9.820 -10.517 -2.856 1.00 0.00 N ATOM 837 CA ARG A 53 9.210 -10.766 -4.160 1.00 0.00 C ATOM 838 C ARG A 53 8.225 -9.649 -4.501 1.00 0.00 C ATOM 839 O ARG A 53 8.181 -9.164 -5.632 1.00 0.00 O ATOM 840 CB ARG A 53 8.488 -12.120 -4.135 1.00 0.00 C ATOM 841 CG ARG A 53 8.446 -12.855 -5.471 1.00 0.00 C ATOM 842 CD ARG A 53 7.529 -12.194 -6.486 1.00 0.00 C ATOM 843 NE ARG A 53 7.485 -12.952 -7.737 1.00 0.00 N ATOM 844 CZ ARG A 53 6.553 -12.795 -8.675 1.00 0.00 C ATOM 845 NH1 ARG A 53 5.605 -11.882 -8.527 1.00 0.00 N ATOM 846 NH2 ARG A 53 6.573 -13.549 -9.767 1.00 0.00 N ATOM 0 H ARG A 53 9.701 -11.281 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 53 9.987 -10.787 -4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.976 -12.761 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.465 -11.963 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.454 -12.908 -5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.115 -13.880 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.524 -12.113 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.875 -11.180 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 53 8.215 -13.645 -7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.587 -11.296 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.893 -11.765 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.303 -14.251 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.858 -13.427 -10.484 1.00 0.00 H new ATOM 860 N ALA A 54 7.445 -9.243 -3.506 1.00 0.00 N ATOM 861 CA ALA A 54 6.467 -8.179 -3.680 1.00 0.00 C ATOM 862 C ALA A 54 7.154 -6.843 -3.942 1.00 0.00 C ATOM 863 O ALA A 54 6.752 -6.099 -4.837 1.00 0.00 O ATOM 864 CB ALA A 54 5.567 -8.088 -2.458 1.00 0.00 C ATOM 0 H ALA A 54 7.472 -9.638 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 54 5.853 -8.416 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.840 -7.289 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.044 -9.034 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.171 -7.876 -1.576 1.00 0.00 H new ATOM 870 N GLU A 55 8.197 -6.549 -3.167 1.00 0.00 N ATOM 871 CA GLU A 55 8.950 -5.307 -3.325 1.00 0.00 C ATOM 872 C GLU A 55 9.525 -5.188 -4.732 1.00 0.00 C ATOM 873 O GLU A 55 9.485 -4.119 -5.341 1.00 0.00 O ATOM 874 CB GLU A 55 10.087 -5.224 -2.306 1.00 0.00 C ATOM 875 CG GLU A 55 9.622 -5.055 -0.869 1.00 0.00 C ATOM 876 CD GLU A 55 10.763 -4.725 0.067 1.00 0.00 C ATOM 877 OE1 GLU A 55 11.067 -3.527 0.233 1.00 0.00 O ATOM 878 OE2 GLU A 55 11.376 -5.658 0.628 1.00 0.00 O ATOM 0 H GLU A 55 8.540 -7.156 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 55 8.256 -4.484 -3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.691 -6.129 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.735 -4.387 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.875 -4.263 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.135 -5.972 -0.536 1.00 0.00 H new ATOM 885 N GLN A 56 10.061 -6.293 -5.232 1.00 0.00 N ATOM 886 CA GLN A 56 10.633 -6.339 -6.575 1.00 0.00 C ATOM 887 C GLN A 56 9.586 -5.980 -7.628 1.00 0.00 C ATOM 888 O GLN A 56 9.860 -5.219 -8.560 1.00 0.00 O ATOM 889 CB GLN A 56 11.209 -7.730 -6.850 1.00 0.00 C ATOM 890 CG GLN A 56 12.364 -8.092 -5.928 1.00 0.00 C ATOM 891 CD GLN A 56 12.793 -9.540 -6.055 1.00 0.00 C ATOM 892 OE1 GLN A 56 11.981 -10.416 -6.359 1.00 0.00 O ATOM 893 NE2 GLN A 56 14.069 -9.804 -5.818 1.00 0.00 N ATOM 0 H GLN A 56 10.113 -7.177 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 56 11.435 -5.603 -6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.418 -8.472 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.549 -7.778 -7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.214 -7.446 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.073 -7.894 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.708 -9.049 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.412 -10.762 -5.884 1.00 0.00 H new ATOM 902 N GLU A 57 8.383 -6.517 -7.461 1.00 0.00 N ATOM 903 CA GLU A 57 7.277 -6.227 -8.370 1.00 0.00 C ATOM 904 C GLU A 57 6.872 -4.756 -8.288 1.00 0.00 C ATOM 905 O GLU A 57 6.551 -4.134 -9.302 1.00 0.00 O ATOM 906 CB GLU A 57 6.085 -7.124 -8.043 1.00 0.00 C ATOM 907 CG GLU A 57 6.335 -8.592 -8.339 1.00 0.00 C ATOM 908 CD GLU A 57 6.424 -8.879 -9.825 1.00 0.00 C ATOM 909 OE1 GLU A 57 5.361 -9.040 -10.461 1.00 0.00 O ATOM 910 OE2 GLU A 57 7.551 -8.957 -10.365 1.00 0.00 O ATOM 0 H GLU A 57 8.147 -7.157 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 57 7.607 -6.429 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.834 -7.011 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.220 -6.788 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.261 -8.904 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.533 -9.188 -7.905 1.00 0.00 H new ATOM 917 N VAL A 58 6.892 -4.202 -7.080 1.00 0.00 N ATOM 918 CA VAL A 58 6.591 -2.788 -6.885 1.00 0.00 C ATOM 919 C VAL A 58 7.661 -1.921 -7.545 1.00 0.00 C ATOM 920 O VAL A 58 7.358 -0.888 -8.143 1.00 0.00 O ATOM 921 CB VAL A 58 6.482 -2.426 -5.387 1.00 0.00 C ATOM 922 CG1 VAL A 58 6.226 -0.936 -5.202 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.384 -3.238 -4.719 1.00 0.00 C ATOM 0 H VAL A 58 7.113 -4.709 -6.223 1.00 0.00 H new ATOM 0 HA VAL A 58 5.625 -2.595 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 58 7.433 -2.669 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.154 -0.709 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.048 -0.369 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.293 -0.663 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.323 -2.969 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.430 -3.028 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.611 -4.300 -4.810 1.00 0.00 H new ATOM 933 N ARG A 59 8.913 -2.357 -7.448 1.00 0.00 N ATOM 934 CA ARG A 59 10.024 -1.642 -8.066 1.00 0.00 C ATOM 935 C ARG A 59 9.871 -1.621 -9.586 1.00 0.00 C ATOM 936 O ARG A 59 10.252 -0.652 -10.246 1.00 0.00 O ATOM 937 CB ARG A 59 11.362 -2.270 -7.664 1.00 0.00 C ATOM 938 CG ARG A 59 12.562 -1.622 -8.337 1.00 0.00 C ATOM 939 CD ARG A 59 13.871 -2.053 -7.699 1.00 0.00 C ATOM 940 NE ARG A 59 14.019 -3.505 -7.652 1.00 0.00 N ATOM 941 CZ ARG A 59 14.886 -4.134 -6.863 1.00 0.00 C ATOM 942 NH1 ARG A 59 15.741 -3.435 -6.118 1.00 0.00 N ATOM 943 NH2 ARG A 59 14.908 -5.460 -6.837 1.00 0.00 N ATOM 0 H ARG A 59 9.184 -3.203 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 59 10.010 -0.613 -7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.478 -2.197 -6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.345 -3.331 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.570 -1.884 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.469 -0.538 -8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.703 -1.624 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.927 -1.652 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 59 13.424 -4.069 -8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.732 -2.416 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.405 -3.919 -5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.262 -5.992 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.571 -5.947 -6.234 1.00 0.00 H new ATOM 957 N ASP A 60 9.301 -2.686 -10.133 1.00 0.00 N ATOM 958 CA ASP A 60 9.007 -2.741 -11.560 1.00 0.00 C ATOM 959 C ASP A 60 7.971 -1.685 -11.915 1.00 0.00 C ATOM 960 O ASP A 60 8.205 -0.825 -12.764 1.00 0.00 O ATOM 961 CB ASP A 60 8.482 -4.123 -11.953 1.00 0.00 C ATOM 962 CG ASP A 60 8.172 -4.232 -13.436 1.00 0.00 C ATOM 963 OD1 ASP A 60 7.138 -3.697 -13.886 1.00 0.00 O ATOM 964 OD2 ASP A 60 8.967 -4.866 -14.163 1.00 0.00 O ATOM 0 H ASP A 60 9.033 -3.522 -9.613 1.00 0.00 H new ATOM 0 HA ASP A 60 9.929 -2.549 -12.108 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.221 -4.878 -11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.580 -4.341 -11.380 1.00 0.00 H new ATOM 969 N PHE A 61 6.838 -1.745 -11.229 1.00 0.00 N ATOM 970 CA PHE A 61 5.719 -0.848 -11.484 1.00 0.00 C ATOM 971 C PHE A 61 6.123 0.617 -11.307 1.00 0.00 C ATOM 972 O PHE A 61 5.735 1.474 -12.100 1.00 0.00 O ATOM 973 CB PHE A 61 4.556 -1.197 -10.549 1.00 0.00 C ATOM 974 CG PHE A 61 3.366 -0.292 -10.694 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.544 -0.376 -11.808 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.071 0.643 -9.716 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.453 0.459 -11.943 1.00 0.00 C ATOM 978 CE2 PHE A 61 1.982 1.479 -9.848 1.00 0.00 C ATOM 979 CZ PHE A 61 1.170 1.387 -10.962 1.00 0.00 C ATOM 0 H PHE A 61 6.669 -2.417 -10.480 1.00 0.00 H new ATOM 0 HA PHE A 61 5.405 -0.979 -12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.245 -2.224 -10.740 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.907 -1.157 -9.518 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.760 -1.102 -12.578 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.700 0.718 -8.841 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.821 0.386 -12.816 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.764 2.206 -9.080 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.316 2.040 -11.065 1.00 0.00 H new ATOM 989 N SER A 62 6.916 0.896 -10.280 1.00 0.00 N ATOM 990 CA SER A 62 7.323 2.265 -9.981 1.00 0.00 C ATOM 991 C SER A 62 8.287 2.811 -11.036 1.00 0.00 C ATOM 992 O SER A 62 8.449 4.024 -11.164 1.00 0.00 O ATOM 993 CB SER A 62 7.947 2.342 -8.585 1.00 0.00 C ATOM 994 OG SER A 62 8.899 1.314 -8.392 1.00 0.00 O ATOM 0 H SER A 62 7.290 0.195 -9.641 1.00 0.00 H new ATOM 0 HA SER A 62 6.430 2.890 -10.001 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.424 3.313 -8.450 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.165 2.263 -7.830 1.00 0.00 H new ATOM 0 HG SER A 62 8.440 0.489 -8.130 1.00 0.00 H new ATOM 1000 N ASP A 63 8.915 1.920 -11.796 1.00 0.00 N ATOM 1001 CA ASP A 63 9.813 2.334 -12.870 1.00 0.00 C ATOM 1002 C ASP A 63 9.006 2.850 -14.057 1.00 0.00 C ATOM 1003 O ASP A 63 9.495 3.632 -14.868 1.00 0.00 O ATOM 1004 CB ASP A 63 10.707 1.169 -13.309 1.00 0.00 C ATOM 1005 CG ASP A 63 11.706 1.566 -14.382 1.00 0.00 C ATOM 1006 OD1 ASP A 63 11.367 1.488 -15.581 1.00 0.00 O ATOM 1007 OD2 ASP A 63 12.847 1.941 -14.033 1.00 0.00 O ATOM 0 H ASP A 63 8.820 0.910 -11.690 1.00 0.00 H new ATOM 0 HA ASP A 63 10.450 3.135 -12.496 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.245 0.783 -12.443 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.082 0.358 -13.683 1.00 0.00 H new ATOM 1012 N ARG A 64 7.755 2.416 -14.143 1.00 0.00 N ATOM 1013 CA ARG A 64 6.870 2.840 -15.222 1.00 0.00 C ATOM 1014 C ARG A 64 6.104 4.102 -14.837 1.00 0.00 C ATOM 1015 O ARG A 64 5.207 4.532 -15.560 1.00 0.00 O ATOM 1016 CB ARG A 64 5.875 1.734 -15.597 1.00 0.00 C ATOM 1017 CG ARG A 64 6.453 0.611 -16.451 1.00 0.00 C ATOM 1018 CD ARG A 64 7.314 -0.346 -15.644 1.00 0.00 C ATOM 1019 NE ARG A 64 8.736 -0.226 -15.970 1.00 0.00 N ATOM 1020 CZ ARG A 64 9.559 -1.268 -16.092 1.00 0.00 C ATOM 1021 NH1 ARG A 64 9.112 -2.501 -15.891 1.00 0.00 N ATOM 1022 NH2 ARG A 64 10.837 -1.075 -16.387 1.00 0.00 N ATOM 0 H ARG A 64 7.329 1.770 -13.478 1.00 0.00 H new ATOM 0 HA ARG A 64 7.499 3.053 -16.086 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.472 1.303 -14.681 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.039 2.184 -16.132 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.638 0.057 -16.918 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.049 1.041 -17.256 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.170 -0.152 -14.581 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.987 -1.369 -15.829 1.00 0.00 H new ATOM 0 HE ARG A 64 9.119 0.708 -16.112 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.135 -2.655 -15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.745 -3.295 -15.986 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.192 -0.128 -16.521 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.465 -1.873 -16.480 1.00 0.00 H new ATOM 1036 N LEU A 65 6.459 4.694 -13.703 1.00 0.00 N ATOM 1037 CA LEU A 65 5.788 5.898 -13.234 1.00 0.00 C ATOM 1038 C LEU A 65 6.599 7.137 -13.597 1.00 0.00 C ATOM 1039 O LEU A 65 7.486 7.527 -12.809 1.00 0.00 O ATOM 1040 CB LEU A 65 5.563 5.836 -11.720 1.00 0.00 C ATOM 1041 CG LEU A 65 4.745 4.636 -11.230 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.563 4.695 -9.721 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.394 4.591 -11.926 1.00 0.00 C ATOM 1044 OXT LEU A 65 6.357 7.707 -14.680 1.00 0.00 O ATOM 0 H LEU A 65 7.206 4.360 -13.093 1.00 0.00 H new ATOM 0 HA LEU A 65 4.817 5.961 -13.725 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.534 5.820 -11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.060 6.751 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 65 5.291 3.725 -11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.980 3.835 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.539 4.679 -9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.039 5.613 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.827 3.733 -11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.843 5.506 -11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.542 4.502 -13.002 1.00 0.00 H new TER 1056 LEU A 65