USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.356 (180deg=-0.425) USER MOD Single : A 2 ASN : amide:sc= 0.00786 X(o=0.0079,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 1.21 (180deg=0.909) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.0347 (180deg=-0.321) USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= 0.314 (180deg=-0.387) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 30 GLN : amide:sc= -5.59! K(o=-5.6!,f=-0.87) USER MOD Single : A 35 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-4.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= 1.78 (180deg=1.23) USER MOD Single : A 44 GLN : amide:sc= 0.0474 X(o=0.047,f=-0.3) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.625 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.02) USER MOD Single : A 56 GLN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 62 SER OG : rot 21:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.878 9.909 0.847 1.00 0.00 N ATOM 2 CA MET A 1 15.098 9.686 -0.391 1.00 0.00 C ATOM 3 C MET A 1 13.772 9.001 -0.075 1.00 0.00 C ATOM 4 O MET A 1 13.038 8.599 -0.977 1.00 0.00 O ATOM 5 CB MET A 1 15.902 8.838 -1.383 1.00 0.00 C ATOM 6 CG MET A 1 17.167 9.522 -1.871 1.00 0.00 C ATOM 7 SD MET A 1 18.164 8.472 -2.945 1.00 0.00 S ATOM 8 CE MET A 1 19.516 9.587 -3.329 1.00 0.00 C ATOM 0 H1 MET A 1 16.754 10.421 0.618 1.00 0.00 H new ATOM 0 H2 MET A 1 15.314 10.470 1.517 1.00 0.00 H new ATOM 0 H3 MET A 1 16.116 8.993 1.277 1.00 0.00 H new ATOM 0 HA MET A 1 14.890 10.656 -0.843 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.168 7.893 -0.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.272 8.600 -2.240 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.898 10.431 -2.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.765 9.825 -1.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.225 9.086 -3.989 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.125 10.476 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.021 9.877 -2.408 1.00 0.00 H new ATOM 18 N ASN A 2 13.458 8.874 1.211 1.00 0.00 N ATOM 19 CA ASN A 2 12.204 8.264 1.623 1.00 0.00 C ATOM 20 C ASN A 2 11.087 9.298 1.586 1.00 0.00 C ATOM 21 O ASN A 2 10.818 9.981 2.574 1.00 0.00 O ATOM 22 CB ASN A 2 12.331 7.655 3.025 1.00 0.00 C ATOM 23 CG ASN A 2 11.075 6.935 3.486 1.00 0.00 C ATOM 24 OD1 ASN A 2 10.882 5.751 3.199 1.00 0.00 O ATOM 25 ND2 ASN A 2 10.222 7.631 4.225 1.00 0.00 N ATOM 0 H ASN A 2 14.053 9.184 1.980 1.00 0.00 H new ATOM 0 HA ASN A 2 11.962 7.460 0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 2 13.166 6.955 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 2 12.569 8.446 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.373 7.189 4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 2 10.415 8.609 4.442 1.00 0.00 H new ATOM 32 N SER A 3 10.493 9.455 0.416 1.00 0.00 N ATOM 33 CA SER A 3 9.357 10.345 0.246 1.00 0.00 C ATOM 34 C SER A 3 8.138 9.563 -0.234 1.00 0.00 C ATOM 35 O SER A 3 6.998 9.929 0.071 1.00 0.00 O ATOM 36 CB SER A 3 9.711 11.458 -0.741 1.00 0.00 C ATOM 37 OG SER A 3 10.329 10.931 -1.907 1.00 0.00 O ATOM 0 H SER A 3 10.781 8.974 -0.436 1.00 0.00 H new ATOM 0 HA SER A 3 9.113 10.798 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.809 12.003 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.380 12.173 -0.263 1.00 0.00 H new ATOM 0 HG SER A 3 10.544 11.663 -2.523 1.00 0.00 H new ATOM 43 N ASP A 4 8.408 8.483 -0.973 1.00 0.00 N ATOM 44 CA ASP A 4 7.377 7.577 -1.491 1.00 0.00 C ATOM 45 C ASP A 4 6.520 8.264 -2.551 1.00 0.00 C ATOM 46 O ASP A 4 5.701 9.132 -2.247 1.00 0.00 O ATOM 47 CB ASP A 4 6.491 7.042 -0.359 1.00 0.00 C ATOM 48 CG ASP A 4 5.649 5.854 -0.782 1.00 0.00 C ATOM 49 OD1 ASP A 4 5.018 5.911 -1.855 1.00 0.00 O ATOM 50 OD2 ASP A 4 5.614 4.853 -0.031 1.00 0.00 O ATOM 0 H ASP A 4 9.356 8.210 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 4 7.888 6.734 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.120 6.754 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.836 7.840 -0.009 1.00 0.00 H new ATOM 55 N VAL A 5 6.705 7.861 -3.801 1.00 0.00 N ATOM 56 CA VAL A 5 5.981 8.467 -4.912 1.00 0.00 C ATOM 57 C VAL A 5 4.620 7.808 -5.121 1.00 0.00 C ATOM 58 O VAL A 5 3.782 8.327 -5.854 1.00 0.00 O ATOM 59 CB VAL A 5 6.790 8.388 -6.227 1.00 0.00 C ATOM 60 CG1 VAL A 5 8.080 9.184 -6.110 1.00 0.00 C ATOM 61 CG2 VAL A 5 7.084 6.941 -6.597 1.00 0.00 C ATOM 0 H VAL A 5 7.349 7.118 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 5 5.831 9.514 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 5 6.187 8.825 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.635 9.116 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.846 10.228 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.685 8.779 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.654 6.912 -7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.663 6.472 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.146 6.402 -6.730 1.00 0.00 H new ATOM 71 N ILE A 6 4.402 6.678 -4.459 1.00 0.00 N ATOM 72 CA ILE A 6 3.164 5.920 -4.611 1.00 0.00 C ATOM 73 C ILE A 6 2.121 6.430 -3.620 1.00 0.00 C ATOM 74 O ILE A 6 0.920 6.212 -3.779 1.00 0.00 O ATOM 75 CB ILE A 6 3.410 4.407 -4.400 1.00 0.00 C ATOM 76 CG1 ILE A 6 4.565 3.938 -5.293 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.148 3.608 -4.704 1.00 0.00 C ATOM 78 CD1 ILE A 6 4.965 2.494 -5.070 1.00 0.00 C ATOM 0 H ILE A 6 5.070 6.264 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 6 2.794 6.062 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 6 3.676 4.239 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.281 4.069 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.431 4.576 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.343 2.547 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.345 3.930 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.852 3.775 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.787 2.237 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.282 2.360 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.114 1.845 -5.276 1.00 0.00 H new ATOM 90 N LYS A 7 2.598 7.116 -2.591 1.00 0.00 N ATOM 91 CA LYS A 7 1.722 7.772 -1.632 1.00 0.00 C ATOM 92 C LYS A 7 0.971 8.921 -2.304 1.00 0.00 C ATOM 93 O LYS A 7 -0.109 9.321 -1.864 1.00 0.00 O ATOM 94 CB LYS A 7 2.539 8.300 -0.450 1.00 0.00 C ATOM 95 CG LYS A 7 1.691 8.906 0.656 1.00 0.00 C ATOM 96 CD LYS A 7 2.555 9.518 1.743 1.00 0.00 C ATOM 97 CE LYS A 7 1.712 10.093 2.867 1.00 0.00 C ATOM 98 NZ LYS A 7 0.960 9.039 3.600 1.00 0.00 N ATOM 0 H LYS A 7 3.593 7.233 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 7 0.997 7.045 -1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.132 7.484 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.240 9.052 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.035 9.669 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.050 8.137 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.229 8.760 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.177 10.304 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.356 10.629 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.010 10.820 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.479 9.462 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.254 8.612 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.620 8.305 3.927 1.00 0.00 H new ATOM 112 N GLY A 8 1.549 9.442 -3.373 1.00 0.00 N ATOM 113 CA GLY A 8 0.932 10.527 -4.100 1.00 0.00 C ATOM 114 C GLY A 8 0.232 10.036 -5.345 1.00 0.00 C ATOM 115 O GLY A 8 0.705 9.103 -5.993 1.00 0.00 O ATOM 0 H GLY A 8 2.443 9.129 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.215 11.036 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.691 11.260 -4.374 1.00 0.00 H new ATOM 119 N LYS A 9 -0.903 10.654 -5.663 1.00 0.00 N ATOM 120 CA LYS A 9 -1.696 10.289 -6.837 1.00 0.00 C ATOM 121 C LYS A 9 -2.234 8.865 -6.728 1.00 0.00 C ATOM 122 O LYS A 9 -2.512 8.225 -7.740 1.00 0.00 O ATOM 123 CB LYS A 9 -0.879 10.437 -8.126 1.00 0.00 C ATOM 124 CG LYS A 9 -0.623 11.880 -8.532 1.00 0.00 C ATOM 125 CD LYS A 9 0.119 11.949 -9.855 1.00 0.00 C ATOM 126 CE LYS A 9 0.202 13.374 -10.375 1.00 0.00 C ATOM 127 NZ LYS A 9 0.868 13.436 -11.699 1.00 0.00 N ATOM 0 H LYS A 9 -1.299 11.419 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.541 10.976 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.078 9.931 -7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.402 9.929 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.571 12.412 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.042 12.382 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.125 11.547 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.386 11.322 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.802 13.792 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.750 13.990 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.907 14.424 -12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.834 13.060 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.331 12.868 -12.385 1.00 0.00 H new ATOM 141 N TRP A 10 -2.412 8.387 -5.499 1.00 0.00 N ATOM 142 CA TRP A 10 -2.951 7.050 -5.264 1.00 0.00 C ATOM 143 C TRP A 10 -4.342 6.929 -5.871 1.00 0.00 C ATOM 144 O TRP A 10 -4.745 5.860 -6.323 1.00 0.00 O ATOM 145 CB TRP A 10 -2.992 6.761 -3.760 1.00 0.00 C ATOM 146 CG TRP A 10 -3.590 5.433 -3.385 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.866 5.204 -2.944 1.00 0.00 C ATOM 148 CD2 TRP A 10 -2.934 4.158 -3.390 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.039 3.868 -2.673 1.00 0.00 N ATOM 150 CE2 TRP A 10 -3.872 3.207 -2.940 1.00 0.00 C ATOM 151 CE3 TRP A 10 -1.649 3.725 -3.728 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -3.567 1.855 -2.819 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -1.347 2.381 -3.606 1.00 0.00 C ATOM 154 CH2 TRP A 10 -2.303 1.461 -3.155 1.00 0.00 C ATOM 0 H TRP A 10 -2.191 8.906 -4.649 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.303 6.316 -5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.976 6.809 -3.368 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.561 7.551 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.626 5.963 -2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.898 3.439 -2.329 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.906 4.427 -4.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.302 1.144 -2.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.357 2.034 -3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.035 0.418 -3.071 1.00 0.00 H new ATOM 165 N LYS A 11 -5.056 8.049 -5.911 1.00 0.00 N ATOM 166 CA LYS A 11 -6.400 8.095 -6.476 1.00 0.00 C ATOM 167 C LYS A 11 -6.365 7.789 -7.977 1.00 0.00 C ATOM 168 O LYS A 11 -7.360 7.359 -8.557 1.00 0.00 O ATOM 169 CB LYS A 11 -7.023 9.474 -6.237 1.00 0.00 C ATOM 170 CG LYS A 11 -6.952 9.936 -4.788 1.00 0.00 C ATOM 171 CD LYS A 11 -7.751 9.035 -3.858 1.00 0.00 C ATOM 172 CE LYS A 11 -7.568 9.450 -2.407 1.00 0.00 C ATOM 173 NZ LYS A 11 -8.423 8.654 -1.487 1.00 0.00 N ATOM 0 H LYS A 11 -4.722 8.945 -5.555 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.009 7.338 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.517 10.205 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.067 9.451 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.911 9.956 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.329 10.956 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.808 9.079 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.433 8.000 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.522 9.330 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.807 10.508 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.267 8.969 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.423 8.788 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.178 7.647 -1.569 1.00 0.00 H new ATOM 187 N GLN A 12 -5.211 8.011 -8.595 1.00 0.00 N ATOM 188 CA GLN A 12 -5.024 7.712 -10.009 1.00 0.00 C ATOM 189 C GLN A 12 -4.321 6.371 -10.178 1.00 0.00 C ATOM 190 O GLN A 12 -4.723 5.543 -10.998 1.00 0.00 O ATOM 191 CB GLN A 12 -4.184 8.796 -10.686 1.00 0.00 C ATOM 192 CG GLN A 12 -4.716 10.202 -10.502 1.00 0.00 C ATOM 193 CD GLN A 12 -3.869 11.237 -11.210 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.267 10.964 -12.249 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.797 12.426 -10.640 1.00 0.00 N ATOM 0 H GLN A 12 -4.387 8.399 -8.136 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.009 7.674 -10.474 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.168 8.750 -10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.124 8.579 -11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.738 10.253 -10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.757 10.436 -9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.312 12.611 -9.779 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.227 13.160 -11.061 1.00 0.00 H new ATOM 204 N LEU A 13 -3.272 6.170 -9.380 1.00 0.00 N ATOM 205 CA LEU A 13 -2.394 5.010 -9.506 1.00 0.00 C ATOM 206 C LEU A 13 -3.130 3.696 -9.282 1.00 0.00 C ATOM 207 O LEU A 13 -2.706 2.662 -9.787 1.00 0.00 O ATOM 208 CB LEU A 13 -1.222 5.116 -8.525 1.00 0.00 C ATOM 209 CG LEU A 13 -0.249 6.266 -8.792 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.892 6.245 -7.786 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.284 6.191 -10.216 1.00 0.00 C ATOM 0 H LEU A 13 -3.008 6.808 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.020 5.009 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.622 5.227 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.666 4.179 -8.546 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.786 7.208 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.574 7.070 -7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.490 6.349 -6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.431 5.301 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.975 7.016 -10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.805 5.245 -10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.546 6.258 -10.919 1.00 0.00 H new ATOM 223 N THR A 14 -4.226 3.742 -8.535 1.00 0.00 N ATOM 224 CA THR A 14 -5.020 2.552 -8.260 1.00 0.00 C ATOM 225 C THR A 14 -5.385 1.810 -9.545 1.00 0.00 C ATOM 226 O THR A 14 -5.303 0.582 -9.606 1.00 0.00 O ATOM 227 CB THR A 14 -6.299 2.919 -7.502 1.00 0.00 C ATOM 228 OG1 THR A 14 -6.842 4.133 -8.039 1.00 0.00 O ATOM 229 CG2 THR A 14 -6.016 3.088 -6.018 1.00 0.00 C ATOM 0 H THR A 14 -4.586 4.595 -8.107 1.00 0.00 H new ATOM 0 HA THR A 14 -4.409 1.893 -7.643 1.00 0.00 H new ATOM 0 HB THR A 14 -7.022 2.112 -7.622 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.661 4.367 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.938 3.349 -5.499 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.623 2.155 -5.614 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.283 3.882 -5.876 1.00 0.00 H new ATOM 237 N GLY A 15 -5.760 2.563 -10.574 1.00 0.00 N ATOM 238 CA GLY A 15 -6.089 1.963 -11.853 1.00 0.00 C ATOM 239 C GLY A 15 -4.898 1.265 -12.482 1.00 0.00 C ATOM 240 O GLY A 15 -5.020 0.159 -13.000 1.00 0.00 O ATOM 0 H GLY A 15 -5.842 3.579 -10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.899 1.246 -11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.456 2.734 -12.531 1.00 0.00 H new ATOM 244 N LYS A 16 -3.735 1.901 -12.414 1.00 0.00 N ATOM 245 CA LYS A 16 -2.520 1.325 -12.978 1.00 0.00 C ATOM 246 C LYS A 16 -2.066 0.113 -12.174 1.00 0.00 C ATOM 247 O LYS A 16 -1.560 -0.849 -12.732 1.00 0.00 O ATOM 248 CB LYS A 16 -1.401 2.366 -13.042 1.00 0.00 C ATOM 249 CG LYS A 16 -1.635 3.433 -14.095 1.00 0.00 C ATOM 250 CD LYS A 16 -0.438 4.357 -14.233 1.00 0.00 C ATOM 251 CE LYS A 16 -0.597 5.292 -15.422 1.00 0.00 C ATOM 252 NZ LYS A 16 -0.609 4.555 -16.715 1.00 0.00 N ATOM 0 H LYS A 16 -3.607 2.813 -11.975 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.748 0.999 -13.993 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.301 2.843 -12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.457 1.862 -13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.841 2.959 -15.054 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.517 4.017 -13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.320 4.942 -13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.470 3.765 -14.352 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.524 5.856 -15.318 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.218 6.016 -15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.413 5.216 -17.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.120 3.813 -16.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.543 4.120 -16.858 1.00 0.00 H new ATOM 266 N ILE A 17 -2.256 0.167 -10.864 1.00 0.00 N ATOM 267 CA ILE A 17 -1.940 -0.959 -9.995 1.00 0.00 C ATOM 268 C ILE A 17 -2.856 -2.137 -10.318 1.00 0.00 C ATOM 269 O ILE A 17 -2.412 -3.283 -10.431 1.00 0.00 O ATOM 270 CB ILE A 17 -2.092 -0.577 -8.506 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.142 0.569 -8.157 1.00 0.00 C ATOM 272 CG2 ILE A 17 -1.825 -1.779 -7.611 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.348 1.132 -6.769 1.00 0.00 C ATOM 0 H ILE A 17 -2.629 0.982 -10.377 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.902 -1.241 -10.172 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.117 -0.248 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.114 0.217 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.270 1.369 -8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.938 -1.487 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.536 -2.572 -7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.810 -2.140 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.638 1.940 -6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.364 1.516 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.191 0.346 -6.030 1.00 0.00 H new ATOM 285 N LYS A 18 -4.134 -1.827 -10.490 1.00 0.00 N ATOM 286 CA LYS A 18 -5.141 -2.818 -10.835 1.00 0.00 C ATOM 287 C LYS A 18 -4.828 -3.467 -12.182 1.00 0.00 C ATOM 288 O LYS A 18 -4.868 -4.690 -12.320 1.00 0.00 O ATOM 289 CB LYS A 18 -6.518 -2.152 -10.878 1.00 0.00 C ATOM 290 CG LYS A 18 -7.644 -3.088 -11.271 1.00 0.00 C ATOM 291 CD LYS A 18 -8.968 -2.352 -11.361 1.00 0.00 C ATOM 292 CE LYS A 18 -10.086 -3.283 -11.789 1.00 0.00 C ATOM 293 NZ LYS A 18 -9.810 -3.910 -13.111 1.00 0.00 N ATOM 0 H LYS A 18 -4.501 -0.880 -10.394 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.138 -3.599 -10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.736 -1.729 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.487 -1.322 -11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.417 -3.550 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.722 -3.893 -10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.209 -1.912 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.883 -1.531 -12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.217 -4.062 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.022 -2.727 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.676 -3.900 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.063 -3.376 -13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.499 -4.892 -12.971 1.00 0.00 H new ATOM 307 N GLU A 19 -4.506 -2.641 -13.167 1.00 0.00 N ATOM 308 CA GLU A 19 -4.204 -3.125 -14.508 1.00 0.00 C ATOM 309 C GLU A 19 -2.799 -3.722 -14.592 1.00 0.00 C ATOM 310 O GLU A 19 -2.476 -4.426 -15.548 1.00 0.00 O ATOM 311 CB GLU A 19 -4.359 -1.996 -15.530 1.00 0.00 C ATOM 312 CG GLU A 19 -5.752 -1.902 -16.137 1.00 0.00 C ATOM 313 CD GLU A 19 -6.853 -1.722 -15.110 1.00 0.00 C ATOM 314 OE1 GLU A 19 -7.194 -0.567 -14.791 1.00 0.00 O ATOM 315 OE2 GLU A 19 -7.408 -2.739 -14.642 1.00 0.00 O ATOM 0 H GLU A 19 -4.447 -1.628 -13.063 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.916 -3.917 -14.739 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.118 -1.048 -15.049 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.633 -2.141 -16.330 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.779 -1.066 -16.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.949 -2.806 -16.714 1.00 0.00 H new ATOM 322 N ARG A 20 -1.971 -3.438 -13.597 1.00 0.00 N ATOM 323 CA ARG A 20 -0.618 -3.976 -13.546 1.00 0.00 C ATOM 324 C ARG A 20 -0.648 -5.482 -13.301 1.00 0.00 C ATOM 325 O ARG A 20 -0.156 -6.266 -14.113 1.00 0.00 O ATOM 326 CB ARG A 20 0.192 -3.278 -12.444 1.00 0.00 C ATOM 327 CG ARG A 20 1.598 -3.827 -12.252 1.00 0.00 C ATOM 328 CD ARG A 20 2.483 -3.568 -13.459 1.00 0.00 C ATOM 329 NE ARG A 20 3.824 -4.122 -13.271 1.00 0.00 N ATOM 330 CZ ARG A 20 4.696 -4.320 -14.255 1.00 0.00 C ATOM 331 NH1 ARG A 20 4.373 -4.021 -15.509 1.00 0.00 N ATOM 332 NH2 ARG A 20 5.884 -4.840 -13.982 1.00 0.00 N ATOM 0 H ARG A 20 -2.213 -2.835 -12.811 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.138 -3.790 -14.507 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.259 -2.215 -12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.350 -3.364 -11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.047 -3.371 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.545 -4.900 -12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.028 -4.008 -14.346 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.553 -2.495 -13.636 1.00 0.00 H new ATOM 0 HE ARG A 20 4.108 -4.372 -12.324 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.452 -3.637 -15.721 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.046 -4.175 -16.260 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.125 -5.086 -13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.558 -4.995 -14.732 1.00 0.00 H new ATOM 346 N TRP A 21 -1.235 -5.883 -12.186 1.00 0.00 N ATOM 347 CA TRP A 21 -1.253 -7.287 -11.813 1.00 0.00 C ATOM 348 C TRP A 21 -2.536 -7.977 -12.270 1.00 0.00 C ATOM 349 O TRP A 21 -2.521 -9.155 -12.618 1.00 0.00 O ATOM 350 CB TRP A 21 -1.026 -7.440 -10.308 1.00 0.00 C ATOM 351 CG TRP A 21 0.401 -7.177 -9.920 1.00 0.00 C ATOM 352 CD1 TRP A 21 1.453 -8.029 -10.089 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.940 -5.991 -9.315 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.609 -7.453 -9.625 1.00 0.00 N ATOM 355 CE2 TRP A 21 2.321 -6.203 -9.145 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.391 -4.771 -8.900 1.00 0.00 C ATOM 357 CZ2 TRP A 21 3.160 -5.245 -8.579 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.226 -3.822 -8.339 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.597 -4.062 -8.184 1.00 0.00 C ATOM 0 H TRP A 21 -1.703 -5.261 -11.527 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.433 -7.787 -12.329 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.679 -6.752 -9.772 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.304 -8.448 -10.001 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.386 -9.015 -10.525 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.533 -7.886 -9.636 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.665 -4.575 -9.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.217 -5.430 -8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.813 -2.878 -8.014 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.222 -3.299 -7.744 1.00 0.00 H new ATOM 370 N GLY A 22 -3.635 -7.241 -12.289 1.00 0.00 N ATOM 371 CA GLY A 22 -4.862 -7.763 -12.864 1.00 0.00 C ATOM 372 C GLY A 22 -5.871 -8.243 -11.839 1.00 0.00 C ATOM 373 O GLY A 22 -7.048 -7.889 -11.912 1.00 0.00 O ATOM 0 H GLY A 22 -3.703 -6.293 -11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.323 -6.987 -13.476 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.615 -8.590 -13.530 1.00 0.00 H new ATOM 377 N ASP A 23 -5.421 -9.045 -10.882 1.00 0.00 N ATOM 378 CA ASP A 23 -6.334 -9.660 -9.919 1.00 0.00 C ATOM 379 C ASP A 23 -6.643 -8.714 -8.763 1.00 0.00 C ATOM 380 O ASP A 23 -7.561 -8.952 -7.979 1.00 0.00 O ATOM 381 CB ASP A 23 -5.747 -10.970 -9.392 1.00 0.00 C ATOM 382 CG ASP A 23 -6.740 -11.773 -8.576 1.00 0.00 C ATOM 383 OD1 ASP A 23 -7.767 -12.210 -9.137 1.00 0.00 O ATOM 384 OD2 ASP A 23 -6.499 -11.974 -7.372 1.00 0.00 O ATOM 0 H ASP A 23 -4.438 -9.285 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.270 -9.874 -10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.403 -11.573 -10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.873 -10.750 -8.779 1.00 0.00 H new ATOM 389 N LEU A 24 -5.877 -7.639 -8.666 1.00 0.00 N ATOM 390 CA LEU A 24 -6.110 -6.629 -7.644 1.00 0.00 C ATOM 391 C LEU A 24 -7.370 -5.838 -7.969 1.00 0.00 C ATOM 392 O LEU A 24 -7.535 -5.345 -9.085 1.00 0.00 O ATOM 393 CB LEU A 24 -4.909 -5.688 -7.530 1.00 0.00 C ATOM 394 CG LEU A 24 -3.610 -6.343 -7.058 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.485 -5.324 -7.028 1.00 0.00 C ATOM 396 CD2 LEU A 24 -3.796 -6.969 -5.684 1.00 0.00 C ATOM 0 H LEU A 24 -5.088 -7.443 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.244 -7.131 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.733 -5.230 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.163 -4.883 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.346 -7.132 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.567 -5.805 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.335 -4.918 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.744 -4.516 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.861 -7.430 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.083 -6.198 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.577 -7.728 -5.733 1.00 0.00 H new ATOM 408 N THR A 25 -8.256 -5.726 -6.995 1.00 0.00 N ATOM 409 CA THR A 25 -9.516 -5.036 -7.193 1.00 0.00 C ATOM 410 C THR A 25 -9.386 -3.558 -6.855 1.00 0.00 C ATOM 411 O THR A 25 -8.509 -3.158 -6.086 1.00 0.00 O ATOM 412 CB THR A 25 -10.631 -5.661 -6.334 1.00 0.00 C ATOM 413 OG1 THR A 25 -10.236 -5.673 -4.956 1.00 0.00 O ATOM 414 CG2 THR A 25 -10.935 -7.079 -6.789 1.00 0.00 C ATOM 0 H THR A 25 -8.125 -6.105 -6.057 1.00 0.00 H new ATOM 0 HA THR A 25 -9.780 -5.139 -8.245 1.00 0.00 H new ATOM 0 HB THR A 25 -11.531 -5.058 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.950 -6.070 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.726 -7.499 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.260 -7.065 -7.829 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.038 -7.691 -6.697 1.00 0.00 H new ATOM 422 N ASP A 26 -10.262 -2.755 -7.439 1.00 0.00 N ATOM 423 CA ASP A 26 -10.297 -1.322 -7.172 1.00 0.00 C ATOM 424 C ASP A 26 -10.641 -1.071 -5.708 1.00 0.00 C ATOM 425 O ASP A 26 -10.100 -0.167 -5.070 1.00 0.00 O ATOM 426 CB ASP A 26 -11.338 -0.656 -8.081 1.00 0.00 C ATOM 427 CG ASP A 26 -11.450 0.843 -7.874 1.00 0.00 C ATOM 428 OD1 ASP A 26 -12.203 1.268 -6.972 1.00 0.00 O ATOM 429 OD2 ASP A 26 -10.801 1.598 -8.629 1.00 0.00 O ATOM 0 H ASP A 26 -10.964 -3.073 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.316 -0.894 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.080 -0.853 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.311 -1.113 -7.902 1.00 0.00 H new ATOM 434 N ASP A 27 -11.521 -1.916 -5.182 1.00 0.00 N ATOM 435 CA ASP A 27 -12.012 -1.789 -3.814 1.00 0.00 C ATOM 436 C ASP A 27 -10.889 -1.962 -2.794 1.00 0.00 C ATOM 437 O ASP A 27 -10.769 -1.179 -1.852 1.00 0.00 O ATOM 438 CB ASP A 27 -13.112 -2.821 -3.565 1.00 0.00 C ATOM 439 CG ASP A 27 -13.596 -2.832 -2.129 1.00 0.00 C ATOM 440 OD1 ASP A 27 -14.164 -1.816 -1.679 1.00 0.00 O ATOM 441 OD2 ASP A 27 -13.417 -3.863 -1.451 1.00 0.00 O ATOM 0 H ASP A 27 -11.914 -2.708 -5.691 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.417 -0.784 -3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.954 -2.614 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.739 -3.812 -3.825 1.00 0.00 H new ATOM 446 N ASP A 28 -10.062 -2.983 -2.996 1.00 0.00 N ATOM 447 CA ASP A 28 -8.951 -3.262 -2.085 1.00 0.00 C ATOM 448 C ASP A 28 -7.940 -2.122 -2.083 1.00 0.00 C ATOM 449 O ASP A 28 -7.284 -1.861 -1.075 1.00 0.00 O ATOM 450 CB ASP A 28 -8.254 -4.574 -2.470 1.00 0.00 C ATOM 451 CG ASP A 28 -8.710 -5.753 -1.631 1.00 0.00 C ATOM 452 OD1 ASP A 28 -9.903 -6.121 -1.700 1.00 0.00 O ATOM 453 OD2 ASP A 28 -7.872 -6.324 -0.898 1.00 0.00 O ATOM 0 H ASP A 28 -10.138 -3.631 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.364 -3.359 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.446 -4.787 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.176 -4.452 -2.361 1.00 0.00 H new ATOM 458 N LEU A 29 -7.834 -1.431 -3.208 1.00 0.00 N ATOM 459 CA LEU A 29 -6.838 -0.380 -3.372 1.00 0.00 C ATOM 460 C LEU A 29 -7.338 0.967 -2.845 1.00 0.00 C ATOM 461 O LEU A 29 -6.628 1.650 -2.112 1.00 0.00 O ATOM 462 CB LEU A 29 -6.438 -0.269 -4.843 1.00 0.00 C ATOM 463 CG LEU A 29 -5.845 -1.544 -5.451 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.598 -1.358 -6.936 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.554 -1.929 -4.742 1.00 0.00 C ATOM 0 H LEU A 29 -8.427 -1.579 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.963 -0.651 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.316 0.017 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.711 0.537 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.564 -2.353 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.177 -2.273 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.540 -1.132 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.900 -0.535 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.150 -2.837 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.829 -1.121 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.757 -2.105 -3.686 1.00 0.00 H new ATOM 477 N GLN A 30 -8.567 1.340 -3.199 1.00 0.00 N ATOM 478 CA GLN A 30 -9.136 2.633 -2.792 1.00 0.00 C ATOM 479 C GLN A 30 -9.337 2.724 -1.280 1.00 0.00 C ATOM 480 O GLN A 30 -9.615 3.798 -0.745 1.00 0.00 O ATOM 481 CB GLN A 30 -10.468 2.872 -3.502 1.00 0.00 C ATOM 482 CG GLN A 30 -10.322 3.380 -4.926 1.00 0.00 C ATOM 483 CD GLN A 30 -9.800 4.804 -4.981 1.00 0.00 C ATOM 484 OE1 GLN A 30 -10.573 5.761 -4.965 1.00 0.00 O ATOM 485 NE2 GLN A 30 -8.488 4.959 -5.047 1.00 0.00 N ATOM 0 H GLN A 30 -9.192 0.768 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.421 3.403 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.034 1.941 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.051 3.592 -2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.644 2.726 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.288 3.330 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.878 4.142 -5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.086 5.896 -5.087 1.00 0.00 H new ATOM 494 N ALA A 31 -9.178 1.598 -0.606 1.00 0.00 N ATOM 495 CA ALA A 31 -9.402 1.496 0.827 1.00 0.00 C ATOM 496 C ALA A 31 -8.542 2.466 1.640 1.00 0.00 C ATOM 497 O ALA A 31 -9.057 3.213 2.472 1.00 0.00 O ATOM 498 CB ALA A 31 -9.122 0.075 1.273 1.00 0.00 C ATOM 0 H ALA A 31 -8.888 0.722 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.442 1.766 1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.288 -0.009 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.789 -0.609 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.087 -0.181 1.045 1.00 0.00 H new ATOM 504 N ALA A 32 -7.240 2.462 1.394 1.00 0.00 N ATOM 505 CA ALA A 32 -6.304 3.141 2.283 1.00 0.00 C ATOM 506 C ALA A 32 -5.720 4.411 1.675 1.00 0.00 C ATOM 507 O ALA A 32 -6.245 4.952 0.699 1.00 0.00 O ATOM 508 CB ALA A 32 -5.191 2.191 2.668 1.00 0.00 C ATOM 0 H ALA A 32 -6.809 2.001 0.593 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.863 3.446 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.492 2.699 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.612 1.325 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.666 1.863 1.771 1.00 0.00 H new ATOM 514 N ASP A 33 -4.631 4.879 2.282 1.00 0.00 N ATOM 515 CA ASP A 33 -3.949 6.096 1.848 1.00 0.00 C ATOM 516 C ASP A 33 -3.092 5.816 0.626 1.00 0.00 C ATOM 517 O ASP A 33 -3.100 6.579 -0.342 1.00 0.00 O ATOM 518 CB ASP A 33 -3.075 6.648 2.982 1.00 0.00 C ATOM 519 CG ASP A 33 -2.221 7.834 2.558 1.00 0.00 C ATOM 520 OD1 ASP A 33 -2.780 8.935 2.361 1.00 0.00 O ATOM 521 OD2 ASP A 33 -0.986 7.675 2.438 1.00 0.00 O ATOM 0 H ASP A 33 -4.198 4.426 3.087 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.703 6.839 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.715 6.948 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.425 5.854 3.351 1.00 0.00 H new ATOM 526 N GLY A 34 -2.354 4.717 0.676 1.00 0.00 N ATOM 527 CA GLY A 34 -1.534 4.328 -0.446 1.00 0.00 C ATOM 528 C GLY A 34 -0.144 3.927 -0.026 1.00 0.00 C ATOM 529 O GLY A 34 0.011 3.087 0.852 1.00 0.00 O ATOM 0 H GLY A 34 -2.310 4.088 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.007 3.497 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.473 5.155 -1.153 1.00 0.00 H new ATOM 533 N HIS A 35 0.852 4.548 -0.659 1.00 0.00 N ATOM 534 CA HIS A 35 2.286 4.337 -0.384 1.00 0.00 C ATOM 535 C HIS A 35 2.728 2.862 -0.508 1.00 0.00 C ATOM 536 O HIS A 35 1.924 1.933 -0.425 1.00 0.00 O ATOM 537 CB HIS A 35 2.729 4.983 0.957 1.00 0.00 C ATOM 538 CG HIS A 35 2.232 4.354 2.230 1.00 0.00 C ATOM 539 ND1 HIS A 35 2.958 3.424 2.932 1.00 0.00 N ATOM 540 CD2 HIS A 35 1.100 4.555 2.949 1.00 0.00 C ATOM 541 CE1 HIS A 35 2.295 3.076 4.017 1.00 0.00 C ATOM 542 NE2 HIS A 35 1.163 3.748 4.054 1.00 0.00 N ATOM 0 H HIS A 35 0.686 5.231 -1.398 1.00 0.00 H new ATOM 0 HA HIS A 35 2.818 4.863 -1.177 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.819 4.984 0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.409 6.025 0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.295 5.229 2.696 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.625 2.359 4.754 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.453 3.679 4.783 1.00 0.00 H new ATOM 551 N ALA A 36 4.029 2.669 -0.729 1.00 0.00 N ATOM 552 CA ALA A 36 4.588 1.356 -1.081 1.00 0.00 C ATOM 553 C ALA A 36 4.270 0.270 -0.052 1.00 0.00 C ATOM 554 O ALA A 36 3.941 -0.863 -0.417 1.00 0.00 O ATOM 555 CB ALA A 36 6.094 1.467 -1.277 1.00 0.00 C ATOM 0 H ALA A 36 4.725 3.412 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 36 4.111 1.051 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.500 0.490 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.305 2.173 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.556 1.818 -0.354 1.00 0.00 H new ATOM 561 N GLU A 37 4.370 0.619 1.228 1.00 0.00 N ATOM 562 CA GLU A 37 4.112 -0.327 2.316 1.00 0.00 C ATOM 563 C GLU A 37 2.775 -1.043 2.152 1.00 0.00 C ATOM 564 O GLU A 37 2.664 -2.237 2.446 1.00 0.00 O ATOM 565 CB GLU A 37 4.135 0.395 3.661 1.00 0.00 C ATOM 566 CG GLU A 37 5.527 0.780 4.131 1.00 0.00 C ATOM 567 CD GLU A 37 6.371 -0.426 4.474 1.00 0.00 C ATOM 568 OE1 GLU A 37 6.151 -1.021 5.552 1.00 0.00 O ATOM 569 OE2 GLU A 37 7.252 -0.787 3.673 1.00 0.00 O ATOM 0 H GLU A 37 4.629 1.555 1.541 1.00 0.00 H new ATOM 0 HA GLU A 37 4.903 -1.076 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.525 1.295 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.672 -0.244 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.024 1.359 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.447 1.425 5.006 1.00 0.00 H new ATOM 576 N TYR A 38 1.769 -0.325 1.672 1.00 0.00 N ATOM 577 CA TYR A 38 0.432 -0.889 1.566 1.00 0.00 C ATOM 578 C TYR A 38 0.363 -1.885 0.414 1.00 0.00 C ATOM 579 O TYR A 38 -0.385 -2.863 0.469 1.00 0.00 O ATOM 580 CB TYR A 38 -0.604 0.215 1.376 1.00 0.00 C ATOM 581 CG TYR A 38 -2.012 -0.216 1.711 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.431 -0.281 3.032 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.918 -0.562 0.716 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.712 -0.675 3.354 1.00 0.00 C ATOM 585 CE2 TYR A 38 -4.203 -0.959 1.032 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.595 -1.015 2.351 1.00 0.00 C ATOM 587 OH TYR A 38 -5.875 -1.405 2.670 1.00 0.00 O ATOM 0 H TYR A 38 1.852 0.640 1.353 1.00 0.00 H new ATOM 0 HA TYR A 38 0.208 -1.415 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.335 1.066 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.574 0.557 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.742 -0.019 3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.613 -0.520 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.023 -0.717 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.897 -1.224 0.248 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.369 -1.609 1.849 1.00 0.00 H new ATOM 597 N LEU A 39 1.155 -1.635 -0.626 1.00 0.00 N ATOM 598 CA LEU A 39 1.229 -2.547 -1.761 1.00 0.00 C ATOM 599 C LEU A 39 1.706 -3.907 -1.298 1.00 0.00 C ATOM 600 O LEU A 39 1.094 -4.925 -1.611 1.00 0.00 O ATOM 601 CB LEU A 39 2.168 -2.014 -2.846 1.00 0.00 C ATOM 602 CG LEU A 39 1.681 -0.762 -3.566 1.00 0.00 C ATOM 603 CD1 LEU A 39 2.690 -0.328 -4.615 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.319 -1.006 -4.198 1.00 0.00 C ATOM 0 H LEU A 39 1.752 -0.812 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 39 0.230 -2.633 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.136 -1.800 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.328 -2.800 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 39 1.579 0.040 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.327 0.567 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.644 -0.112 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.823 -1.127 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.013 -0.101 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.393 -1.822 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.400 -1.270 -3.422 1.00 0.00 H new ATOM 616 N VAL A 40 2.784 -3.911 -0.520 1.00 0.00 N ATOM 617 CA VAL A 40 3.335 -5.147 0.027 1.00 0.00 C ATOM 618 C VAL A 40 2.259 -5.924 0.782 1.00 0.00 C ATOM 619 O VAL A 40 2.196 -7.154 0.713 1.00 0.00 O ATOM 620 CB VAL A 40 4.526 -4.864 0.972 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.141 -6.160 1.479 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.576 -4.016 0.269 1.00 0.00 C ATOM 0 H VAL A 40 3.295 -3.069 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 40 3.693 -5.745 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 40 4.150 -4.309 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.976 -5.932 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.390 -6.730 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.498 -6.748 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.406 -3.827 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.941 -4.545 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.133 -3.068 -0.035 1.00 0.00 H new ATOM 632 N GLY A 41 1.401 -5.194 1.486 1.00 0.00 N ATOM 633 CA GLY A 41 0.297 -5.813 2.189 1.00 0.00 C ATOM 634 C GLY A 41 -0.693 -6.466 1.242 1.00 0.00 C ATOM 635 O GLY A 41 -0.935 -7.670 1.326 1.00 0.00 O ATOM 0 H GLY A 41 1.453 -4.180 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.683 -6.562 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.217 -5.061 2.788 1.00 0.00 H new ATOM 639 N LYS A 42 -1.237 -5.679 0.320 1.00 0.00 N ATOM 640 CA LYS A 42 -2.248 -6.168 -0.619 1.00 0.00 C ATOM 641 C LYS A 42 -1.702 -7.289 -1.499 1.00 0.00 C ATOM 642 O LYS A 42 -2.412 -8.245 -1.814 1.00 0.00 O ATOM 643 CB LYS A 42 -2.756 -5.026 -1.508 1.00 0.00 C ATOM 644 CG LYS A 42 -3.453 -3.889 -0.765 1.00 0.00 C ATOM 645 CD LYS A 42 -4.920 -4.189 -0.467 1.00 0.00 C ATOM 646 CE LYS A 42 -5.100 -5.009 0.798 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.532 -5.260 1.101 1.00 0.00 N ATOM 0 H LYS A 42 -0.995 -4.695 0.200 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.073 -6.564 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.912 -4.614 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.448 -5.438 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.929 -3.697 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.387 -2.978 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.467 -3.251 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.356 -4.726 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.580 -5.961 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.638 -4.488 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.626 -6.159 1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.904 -4.486 1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.071 -5.311 0.213 1.00 0.00 H new ATOM 661 N LEU A 43 -0.438 -7.176 -1.883 1.00 0.00 N ATOM 662 CA LEU A 43 0.186 -8.154 -2.765 1.00 0.00 C ATOM 663 C LEU A 43 0.358 -9.499 -2.061 1.00 0.00 C ATOM 664 O LEU A 43 0.249 -10.551 -2.692 1.00 0.00 O ATOM 665 CB LEU A 43 1.531 -7.630 -3.278 1.00 0.00 C ATOM 666 CG LEU A 43 1.436 -6.359 -4.127 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.820 -5.838 -4.483 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.616 -6.616 -5.384 1.00 0.00 C ATOM 0 H LEU A 43 0.177 -6.415 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.472 -8.309 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.179 -7.434 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.009 -8.411 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 43 0.931 -5.594 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.725 -4.935 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.368 -5.608 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.360 -6.597 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.559 -5.702 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.090 -7.400 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.390 -6.930 -5.104 1.00 0.00 H new ATOM 680 N GLN A 44 0.611 -9.469 -0.756 1.00 0.00 N ATOM 681 CA GLN A 44 0.723 -10.703 0.017 1.00 0.00 C ATOM 682 C GLN A 44 -0.652 -11.244 0.400 1.00 0.00 C ATOM 683 O GLN A 44 -0.826 -12.449 0.572 1.00 0.00 O ATOM 684 CB GLN A 44 1.584 -10.497 1.264 1.00 0.00 C ATOM 685 CG GLN A 44 3.075 -10.448 0.962 1.00 0.00 C ATOM 686 CD GLN A 44 3.927 -10.390 2.214 1.00 0.00 C ATOM 687 OE1 GLN A 44 3.526 -9.830 3.232 1.00 0.00 O ATOM 688 NE2 GLN A 44 5.103 -10.991 2.151 1.00 0.00 N ATOM 0 H GLN A 44 0.741 -8.614 -0.216 1.00 0.00 H new ATOM 0 HA GLN A 44 1.213 -11.442 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.288 -9.569 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.389 -11.305 1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.352 -11.327 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.287 -9.576 0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.398 -11.444 1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.715 -11.001 2.967 1.00 0.00 H new ATOM 697 N GLU A 45 -1.626 -10.352 0.534 1.00 0.00 N ATOM 698 CA GLU A 45 -3.004 -10.759 0.801 1.00 0.00 C ATOM 699 C GLU A 45 -3.611 -11.453 -0.413 1.00 0.00 C ATOM 700 O GLU A 45 -4.017 -12.614 -0.346 1.00 0.00 O ATOM 701 CB GLU A 45 -3.870 -9.553 1.170 1.00 0.00 C ATOM 702 CG GLU A 45 -3.616 -9.003 2.558 1.00 0.00 C ATOM 703 CD GLU A 45 -4.536 -7.847 2.897 1.00 0.00 C ATOM 704 OE1 GLU A 45 -5.620 -7.734 2.281 1.00 0.00 O ATOM 705 OE2 GLU A 45 -4.178 -7.039 3.777 1.00 0.00 O ATOM 0 H GLU A 45 -1.490 -9.344 0.463 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.980 -11.454 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.698 -8.761 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.919 -9.837 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.750 -9.798 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.580 -8.673 2.631 1.00 0.00 H new ATOM 712 N ARG A 46 -3.657 -10.732 -1.522 1.00 0.00 N ATOM 713 CA ARG A 46 -4.333 -11.210 -2.718 1.00 0.00 C ATOM 714 C ARG A 46 -3.549 -12.337 -3.385 1.00 0.00 C ATOM 715 O ARG A 46 -4.110 -13.380 -3.715 1.00 0.00 O ATOM 716 CB ARG A 46 -4.538 -10.054 -3.697 1.00 0.00 C ATOM 717 CG ARG A 46 -5.514 -10.369 -4.813 1.00 0.00 C ATOM 718 CD ARG A 46 -6.899 -10.671 -4.265 1.00 0.00 C ATOM 719 NE ARG A 46 -7.852 -10.958 -5.332 1.00 0.00 N ATOM 720 CZ ARG A 46 -9.172 -10.988 -5.167 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.703 -10.792 -3.963 1.00 0.00 N ATOM 722 NH2 ARG A 46 -9.966 -11.218 -6.206 1.00 0.00 N ATOM 0 H ARG A 46 -3.232 -9.810 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.304 -11.609 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.896 -9.183 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.576 -9.783 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.569 -9.525 -5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.152 -11.223 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.844 -11.523 -3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.252 -9.821 -3.681 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.483 -11.148 -6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.098 -10.618 -3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.716 -10.816 -3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.564 -11.372 -7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.978 -11.241 -6.079 1.00 0.00 H new ATOM 736 N TYR A 47 -2.254 -12.129 -3.580 1.00 0.00 N ATOM 737 CA TYR A 47 -1.411 -13.137 -4.208 1.00 0.00 C ATOM 738 C TYR A 47 -0.682 -13.951 -3.148 1.00 0.00 C ATOM 739 O TYR A 47 -1.002 -15.116 -2.915 1.00 0.00 O ATOM 740 CB TYR A 47 -0.402 -12.488 -5.160 1.00 0.00 C ATOM 741 CG TYR A 47 -1.020 -11.895 -6.404 1.00 0.00 C ATOM 742 CD1 TYR A 47 -1.592 -10.629 -6.388 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.019 -12.599 -7.600 1.00 0.00 C ATOM 744 CE1 TYR A 47 -2.147 -10.084 -7.529 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.570 -12.063 -8.746 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.135 -10.805 -8.706 1.00 0.00 C ATOM 747 OH TYR A 47 -2.685 -10.266 -9.847 1.00 0.00 O ATOM 0 H TYR A 47 -1.766 -11.274 -3.313 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.051 -13.803 -4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.134 -11.704 -4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.336 -13.235 -5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.603 -10.062 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.579 -13.585 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.588 -9.099 -7.501 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.559 -12.625 -9.668 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.593 -10.902 -10.587 1.00 0.00 H new ATOM 757 N GLY A 48 0.279 -13.323 -2.492 1.00 0.00 N ATOM 758 CA GLY A 48 1.024 -13.997 -1.449 1.00 0.00 C ATOM 759 C GLY A 48 2.437 -14.339 -1.861 1.00 0.00 C ATOM 760 O GLY A 48 2.877 -15.476 -1.699 1.00 0.00 O ATOM 0 H GLY A 48 0.558 -12.357 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.053 -13.363 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.501 -14.912 -1.170 1.00 0.00 H new ATOM 764 N TRP A 49 3.151 -13.360 -2.399 1.00 0.00 N ATOM 765 CA TRP A 49 4.548 -13.555 -2.751 1.00 0.00 C ATOM 766 C TRP A 49 5.426 -13.327 -1.531 1.00 0.00 C ATOM 767 O TRP A 49 4.977 -12.756 -0.533 1.00 0.00 O ATOM 768 CB TRP A 49 4.987 -12.589 -3.854 1.00 0.00 C ATOM 769 CG TRP A 49 4.186 -12.679 -5.111 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.952 -13.793 -5.865 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.534 -11.595 -5.774 1.00 0.00 C ATOM 772 NE1 TRP A 49 3.188 -13.464 -6.957 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.915 -12.120 -6.922 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.408 -10.227 -5.506 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.186 -11.326 -7.800 1.00 0.00 C ATOM 776 CZ3 TRP A 49 2.683 -9.443 -6.379 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.079 -9.995 -7.512 1.00 0.00 C ATOM 0 H TRP A 49 2.787 -12.428 -2.600 1.00 0.00 H new ATOM 0 HA TRP A 49 4.656 -14.577 -3.113 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.927 -11.570 -3.472 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.034 -12.779 -4.091 1.00 0.00 H new ATOM 0 HD1 TRP A 49 4.314 -14.785 -5.636 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.874 -14.114 -7.678 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.870 -9.793 -4.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.721 -11.747 -8.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.580 -8.386 -6.184 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.515 -9.355 -8.175 1.00 0.00 H new ATOM 788 N SER A 50 6.671 -13.766 -1.613 1.00 0.00 N ATOM 789 CA SER A 50 7.649 -13.480 -0.577 1.00 0.00 C ATOM 790 C SER A 50 7.822 -11.969 -0.430 1.00 0.00 C ATOM 791 O SER A 50 7.663 -11.226 -1.401 1.00 0.00 O ATOM 792 CB SER A 50 8.978 -14.139 -0.933 1.00 0.00 C ATOM 793 OG SER A 50 8.790 -15.508 -1.244 1.00 0.00 O ATOM 0 H SER A 50 7.029 -14.323 -2.389 1.00 0.00 H new ATOM 0 HA SER A 50 7.301 -13.883 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.428 -13.626 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.673 -14.042 -0.099 1.00 0.00 H new ATOM 0 HG SER A 50 9.653 -15.913 -1.471 1.00 0.00 H new ATOM 799 N LYS A 51 8.135 -11.521 0.777 1.00 0.00 N ATOM 800 CA LYS A 51 8.259 -10.096 1.066 1.00 0.00 C ATOM 801 C LYS A 51 9.312 -9.452 0.162 1.00 0.00 C ATOM 802 O LYS A 51 9.113 -8.346 -0.342 1.00 0.00 O ATOM 803 CB LYS A 51 8.603 -9.896 2.548 1.00 0.00 C ATOM 804 CG LYS A 51 8.275 -8.508 3.090 1.00 0.00 C ATOM 805 CD LYS A 51 9.345 -7.482 2.754 1.00 0.00 C ATOM 806 CE LYS A 51 10.673 -7.830 3.403 1.00 0.00 C ATOM 807 NZ LYS A 51 11.688 -6.771 3.180 1.00 0.00 N ATOM 0 H LYS A 51 8.309 -12.127 1.579 1.00 0.00 H new ATOM 0 HA LYS A 51 7.307 -9.607 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.065 -10.639 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.667 -10.086 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.320 -8.179 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.157 -8.563 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.471 -7.427 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.023 -6.496 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.528 -7.975 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.038 -8.775 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.548 -6.995 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.920 -6.720 2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.309 -5.855 3.495 1.00 0.00 H new ATOM 821 N GLU A 52 10.417 -10.158 -0.056 1.00 0.00 N ATOM 822 CA GLU A 52 11.472 -9.678 -0.944 1.00 0.00 C ATOM 823 C GLU A 52 10.934 -9.523 -2.364 1.00 0.00 C ATOM 824 O GLU A 52 11.110 -8.483 -3.006 1.00 0.00 O ATOM 825 CB GLU A 52 12.651 -10.654 -0.954 1.00 0.00 C ATOM 826 CG GLU A 52 13.171 -11.017 0.428 1.00 0.00 C ATOM 827 CD GLU A 52 13.695 -9.825 1.198 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.821 -9.374 0.905 1.00 0.00 O ATOM 829 OE2 GLU A 52 12.997 -9.352 2.116 1.00 0.00 O ATOM 0 H GLU A 52 10.606 -11.065 0.370 1.00 0.00 H new ATOM 0 HA GLU A 52 11.813 -8.710 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.348 -11.567 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.465 -10.217 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.370 -11.487 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.967 -11.755 0.328 1.00 0.00 H new ATOM 836 N ARG A 53 10.268 -10.572 -2.838 1.00 0.00 N ATOM 837 CA ARG A 53 9.690 -10.604 -4.178 1.00 0.00 C ATOM 838 C ARG A 53 8.635 -9.508 -4.345 1.00 0.00 C ATOM 839 O ARG A 53 8.503 -8.914 -5.417 1.00 0.00 O ATOM 840 CB ARG A 53 9.074 -11.982 -4.432 1.00 0.00 C ATOM 841 CG ARG A 53 8.594 -12.209 -5.857 1.00 0.00 C ATOM 842 CD ARG A 53 8.102 -13.634 -6.037 1.00 0.00 C ATOM 843 NE ARG A 53 7.709 -13.922 -7.413 1.00 0.00 N ATOM 844 CZ ARG A 53 8.091 -15.010 -8.082 1.00 0.00 C ATOM 845 NH1 ARG A 53 8.849 -15.929 -7.488 1.00 0.00 N ATOM 846 NH2 ARG A 53 7.690 -15.196 -9.331 1.00 0.00 N ATOM 0 H ARG A 53 10.114 -11.426 -2.302 1.00 0.00 H new ATOM 0 HA ARG A 53 10.479 -10.420 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.811 -12.746 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.233 -12.120 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.792 -11.510 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.406 -12.008 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.887 -14.327 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.253 -13.807 -5.376 1.00 0.00 H new ATOM 0 HE ARG A 53 7.107 -13.251 -7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.139 -15.802 -6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.140 -16.760 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.088 -14.506 -9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.983 -16.029 -9.842 1.00 0.00 H new ATOM 860 N ALA A 54 7.893 -9.245 -3.276 1.00 0.00 N ATOM 861 CA ALA A 54 6.890 -8.190 -3.280 1.00 0.00 C ATOM 862 C ALA A 54 7.538 -6.835 -3.533 1.00 0.00 C ATOM 863 O ALA A 54 7.119 -6.101 -4.428 1.00 0.00 O ATOM 864 CB ALA A 54 6.126 -8.176 -1.964 1.00 0.00 C ATOM 0 H ALA A 54 7.968 -9.750 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 54 6.185 -8.390 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.380 -7.381 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.629 -9.136 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.820 -8.001 -1.142 1.00 0.00 H new ATOM 870 N GLU A 55 8.572 -6.520 -2.751 1.00 0.00 N ATOM 871 CA GLU A 55 9.314 -5.269 -2.914 1.00 0.00 C ATOM 872 C GLU A 55 9.858 -5.142 -4.332 1.00 0.00 C ATOM 873 O GLU A 55 9.810 -4.069 -4.938 1.00 0.00 O ATOM 874 CB GLU A 55 10.478 -5.206 -1.927 1.00 0.00 C ATOM 875 CG GLU A 55 10.057 -5.136 -0.469 1.00 0.00 C ATOM 876 CD GLU A 55 11.244 -5.038 0.467 1.00 0.00 C ATOM 877 OE1 GLU A 55 11.938 -6.058 0.661 1.00 0.00 O ATOM 878 OE2 GLU A 55 11.488 -3.944 1.016 1.00 0.00 O ATOM 0 H GLU A 55 8.915 -7.115 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 55 8.625 -4.447 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.108 -6.084 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.089 -4.334 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.408 -4.273 -0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.472 -6.021 -0.219 1.00 0.00 H new ATOM 885 N GLN A 56 10.382 -6.251 -4.839 1.00 0.00 N ATOM 886 CA GLN A 56 10.911 -6.321 -6.193 1.00 0.00 C ATOM 887 C GLN A 56 9.893 -5.807 -7.208 1.00 0.00 C ATOM 888 O GLN A 56 10.185 -4.903 -7.993 1.00 0.00 O ATOM 889 CB GLN A 56 11.291 -7.765 -6.527 1.00 0.00 C ATOM 890 CG GLN A 56 11.842 -7.946 -7.931 1.00 0.00 C ATOM 891 CD GLN A 56 12.039 -9.403 -8.295 1.00 0.00 C ATOM 892 OE1 GLN A 56 13.101 -9.973 -8.053 1.00 0.00 O ATOM 893 NE2 GLN A 56 11.022 -10.011 -8.886 1.00 0.00 N ATOM 0 H GLN A 56 10.452 -7.127 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 56 11.797 -5.688 -6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.034 -8.111 -5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.412 -8.399 -6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.161 -7.485 -8.647 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.794 -7.422 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.158 -9.500 -9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.102 -10.990 -9.159 1.00 0.00 H new ATOM 902 N GLU A 57 8.692 -6.370 -7.172 1.00 0.00 N ATOM 903 CA GLU A 57 7.657 -6.016 -8.134 1.00 0.00 C ATOM 904 C GLU A 57 7.156 -4.590 -7.931 1.00 0.00 C ATOM 905 O GLU A 57 6.702 -3.948 -8.882 1.00 0.00 O ATOM 906 CB GLU A 57 6.496 -7.006 -8.064 1.00 0.00 C ATOM 907 CG GLU A 57 6.875 -8.394 -8.552 1.00 0.00 C ATOM 908 CD GLU A 57 7.563 -8.354 -9.902 1.00 0.00 C ATOM 909 OE1 GLU A 57 6.907 -7.979 -10.898 1.00 0.00 O ATOM 910 OE2 GLU A 57 8.768 -8.680 -9.972 1.00 0.00 O ATOM 0 H GLU A 57 8.411 -7.073 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 57 8.104 -6.068 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.142 -7.072 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.667 -6.629 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.534 -8.867 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.979 -9.011 -8.620 1.00 0.00 H new ATOM 917 N VAL A 58 7.244 -4.095 -6.701 1.00 0.00 N ATOM 918 CA VAL A 58 6.882 -2.712 -6.409 1.00 0.00 C ATOM 919 C VAL A 58 7.833 -1.754 -7.127 1.00 0.00 C ATOM 920 O VAL A 58 7.408 -0.739 -7.680 1.00 0.00 O ATOM 921 CB VAL A 58 6.897 -2.423 -4.888 1.00 0.00 C ATOM 922 CG1 VAL A 58 6.651 -0.946 -4.605 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.859 -3.276 -4.174 1.00 0.00 C ATOM 0 H VAL A 58 7.562 -4.629 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 58 5.865 -2.556 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 58 7.886 -2.680 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.667 -0.774 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.430 -0.350 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.679 -0.656 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.883 -3.060 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.868 -3.049 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.081 -4.331 -4.336 1.00 0.00 H new ATOM 933 N ARG A 59 9.117 -2.094 -7.141 1.00 0.00 N ATOM 934 CA ARG A 59 10.116 -1.258 -7.800 1.00 0.00 C ATOM 935 C ARG A 59 9.908 -1.249 -9.316 1.00 0.00 C ATOM 936 O ARG A 59 10.064 -0.216 -9.969 1.00 0.00 O ATOM 937 CB ARG A 59 11.534 -1.731 -7.462 1.00 0.00 C ATOM 938 CG ARG A 59 12.617 -0.864 -8.085 1.00 0.00 C ATOM 939 CD ARG A 59 12.540 0.570 -7.580 1.00 0.00 C ATOM 940 NE ARG A 59 13.226 1.504 -8.469 1.00 0.00 N ATOM 941 CZ ARG A 59 13.139 2.830 -8.362 1.00 0.00 C ATOM 942 NH1 ARG A 59 12.451 3.376 -7.365 1.00 0.00 N ATOM 943 NH2 ARG A 59 13.741 3.612 -9.250 1.00 0.00 N ATOM 0 H ARG A 59 9.490 -2.938 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 59 9.994 -0.240 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.660 -1.737 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.659 -2.759 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.597 -1.281 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.515 -0.875 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.495 0.864 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.981 0.627 -6.585 1.00 0.00 H new ATOM 0 HE ARG A 59 13.805 1.119 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.988 2.780 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.386 4.391 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.272 3.199 -10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.673 4.626 -9.166 1.00 0.00 H new ATOM 957 N ASP A 60 9.537 -2.395 -9.871 1.00 0.00 N ATOM 958 CA ASP A 60 9.272 -2.491 -11.301 1.00 0.00 C ATOM 959 C ASP A 60 8.018 -1.708 -11.671 1.00 0.00 C ATOM 960 O ASP A 60 7.856 -1.282 -12.813 1.00 0.00 O ATOM 961 CB ASP A 60 9.133 -3.954 -11.729 1.00 0.00 C ATOM 962 CG ASP A 60 10.465 -4.583 -12.088 1.00 0.00 C ATOM 963 OD1 ASP A 60 11.188 -5.028 -11.172 1.00 0.00 O ATOM 964 OD2 ASP A 60 10.800 -4.645 -13.290 1.00 0.00 O ATOM 0 H ASP A 60 9.413 -3.267 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 60 10.119 -2.056 -11.832 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.672 -4.523 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.463 -4.016 -12.586 1.00 0.00 H new ATOM 969 N PHE A 61 7.140 -1.504 -10.696 1.00 0.00 N ATOM 970 CA PHE A 61 5.936 -0.719 -10.920 1.00 0.00 C ATOM 971 C PHE A 61 6.285 0.751 -11.131 1.00 0.00 C ATOM 972 O PHE A 61 5.681 1.424 -11.961 1.00 0.00 O ATOM 973 CB PHE A 61 4.959 -0.870 -9.749 1.00 0.00 C ATOM 974 CG PHE A 61 3.730 -0.018 -9.887 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.728 -0.363 -10.777 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.585 1.135 -9.132 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.602 0.425 -10.913 1.00 0.00 C ATOM 978 CE2 PHE A 61 2.463 1.928 -9.264 1.00 0.00 C ATOM 979 CZ PHE A 61 1.470 1.572 -10.156 1.00 0.00 C ATOM 0 H PHE A 61 7.240 -1.869 -9.749 1.00 0.00 H new ATOM 0 HA PHE A 61 5.452 -1.095 -11.821 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.661 -1.915 -9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.471 -0.610 -8.822 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.828 -1.259 -11.372 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.358 1.416 -8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.826 0.145 -11.610 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.362 2.825 -8.671 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.591 2.191 -10.261 1.00 0.00 H new ATOM 989 N SER A 62 7.279 1.245 -10.399 1.00 0.00 N ATOM 990 CA SER A 62 7.679 2.640 -10.518 1.00 0.00 C ATOM 991 C SER A 62 8.464 2.897 -11.806 1.00 0.00 C ATOM 992 O SER A 62 8.838 4.036 -12.101 1.00 0.00 O ATOM 993 CB SER A 62 8.474 3.084 -9.287 1.00 0.00 C ATOM 994 OG SER A 62 9.397 2.092 -8.863 1.00 0.00 O ATOM 0 H SER A 62 7.818 0.704 -9.723 1.00 0.00 H new ATOM 0 HA SER A 62 6.770 3.240 -10.571 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.011 4.005 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.785 3.310 -8.473 1.00 0.00 H new ATOM 0 HG SER A 62 9.583 1.480 -9.605 1.00 0.00 H new ATOM 1000 N ASP A 63 8.708 1.841 -12.573 1.00 0.00 N ATOM 1001 CA ASP A 63 9.297 1.989 -13.897 1.00 0.00 C ATOM 1002 C ASP A 63 8.200 2.372 -14.881 1.00 0.00 C ATOM 1003 O ASP A 63 8.315 3.355 -15.620 1.00 0.00 O ATOM 1004 CB ASP A 63 9.981 0.696 -14.349 1.00 0.00 C ATOM 1005 CG ASP A 63 10.634 0.837 -15.712 1.00 0.00 C ATOM 1006 OD1 ASP A 63 11.790 1.306 -15.774 1.00 0.00 O ATOM 1007 OD2 ASP A 63 10.003 0.475 -16.728 1.00 0.00 O ATOM 0 H ASP A 63 8.508 0.878 -12.302 1.00 0.00 H new ATOM 0 HA ASP A 63 10.058 2.769 -13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.735 0.410 -13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.247 -0.109 -14.382 1.00 0.00 H new ATOM 1012 N ARG A 64 7.123 1.602 -14.862 1.00 0.00 N ATOM 1013 CA ARG A 64 5.952 1.902 -15.663 1.00 0.00 C ATOM 1014 C ARG A 64 4.889 2.529 -14.771 1.00 0.00 C ATOM 1015 O ARG A 64 3.862 1.927 -14.461 1.00 0.00 O ATOM 1016 CB ARG A 64 5.436 0.634 -16.362 1.00 0.00 C ATOM 1017 CG ARG A 64 4.186 0.825 -17.219 1.00 0.00 C ATOM 1018 CD ARG A 64 4.292 2.022 -18.158 1.00 0.00 C ATOM 1019 NE ARG A 64 3.850 3.264 -17.517 1.00 0.00 N ATOM 1020 CZ ARG A 64 3.327 4.297 -18.172 1.00 0.00 C ATOM 1021 NH1 ARG A 64 3.165 4.249 -19.490 1.00 0.00 N ATOM 1022 NH2 ARG A 64 2.949 5.378 -17.500 1.00 0.00 N ATOM 0 H ARG A 64 7.038 0.758 -14.295 1.00 0.00 H new ATOM 0 HA ARG A 64 6.212 2.613 -16.447 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.232 0.237 -16.992 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.225 -0.119 -15.603 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.012 -0.077 -17.806 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.321 0.954 -16.568 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.325 2.133 -18.489 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.690 1.839 -19.048 1.00 0.00 H new ATOM 0 HE ARG A 64 3.950 3.341 -16.505 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.443 3.415 -20.008 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.763 5.046 -19.984 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.060 5.413 -16.487 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.547 6.173 -17.997 1.00 0.00 H new ATOM 1036 N LEU A 65 5.179 3.741 -14.337 1.00 0.00 N ATOM 1037 CA LEU A 65 4.272 4.501 -13.501 1.00 0.00 C ATOM 1038 C LEU A 65 3.859 5.760 -14.250 1.00 0.00 C ATOM 1039 O LEU A 65 2.780 5.750 -14.875 1.00 0.00 O ATOM 1040 CB LEU A 65 4.950 4.834 -12.161 1.00 0.00 C ATOM 1041 CG LEU A 65 4.030 5.341 -11.041 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.690 5.130 -9.688 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.694 6.816 -11.221 1.00 0.00 C ATOM 1044 OXT LEU A 65 4.642 6.732 -14.258 1.00 0.00 O ATOM 0 H LEU A 65 6.050 4.225 -14.555 1.00 0.00 H new ATOM 0 HA LEU A 65 3.378 3.918 -13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.462 3.940 -11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.715 5.588 -12.343 1.00 0.00 H new ATOM 0 HG LEU A 65 3.102 4.771 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.030 5.493 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.883 4.068 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.632 5.678 -9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.041 7.142 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.612 7.403 -11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.188 6.960 -12.175 1.00 0.00 H new TER 1056 LEU A 65