USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 568 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 35 HIS : no HD1:sc= -0.31 K(o=-0.035,f=-2.7!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.275 K(o=-0.035,f=-1.7) USER MOD Single : A 4 TYR OH : rot 105:sc= 0.446 USER MOD Single : A 7 MET CE :methyl -178:sc= -0.241 (180deg=-0.246) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0819) USER MOD Single : A 10 ASN : amide:sc= 0.924 K(o=0.92,f=-6.2!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -39:sc= 0.523 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.447 X(o=0.45,f=-0.017) USER MOD Single : A 23 ASN : amide:sc= 0.669 K(o=0.67,f=-0.028) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.083 K(o=-0.083,f=-1.4) USER MOD Single : A 37 MET CE :methyl -169:sc= -0.0479 (180deg=-0.281) USER MOD Single : A 39 THR OG1 : rot -66:sc= 1.52 USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= -0.333 (180deg=-1.37) USER MOD Single : A 47 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.3!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -92:sc= 0.165 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.54 K(o=-0.54,f=-1.7) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.121 X(o=0.12,f=-0.021) USER MOD Single : A 77 THR OG1 : rot -35:sc= 1.15 USER MOD Single : A 80 TYR OH : rot -88:sc= -0.219 USER MOD Single : A 83 SER OG : rot -90:sc= 0.0177 USER MOD Single : A 84 TYR OH : rot -30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.366 -2.499 -8.599 1.00 0.00 N ATOM 27 CA TYR A 4 8.455 -2.627 -7.145 1.00 0.00 C ATOM 28 C TYR A 4 7.080 -2.259 -6.578 1.00 0.00 C ATOM 29 O TYR A 4 6.161 -1.954 -7.344 1.00 0.00 O ATOM 30 CB TYR A 4 9.528 -1.690 -6.552 1.00 0.00 C ATOM 31 CG TYR A 4 9.521 -0.251 -7.042 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.426 0.578 -6.735 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.654 0.311 -7.661 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.447 1.936 -7.064 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.660 1.670 -8.022 1.00 0.00 C ATOM 36 CZ TYR A 4 9.574 2.490 -7.680 1.00 0.00 C ATOM 37 OH TYR A 4 9.672 3.844 -7.761 1.00 0.00 O ATOM 0 HA TYR A 4 8.741 -3.646 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.411 -1.681 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.508 -2.117 -6.764 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.561 0.161 -6.240 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.520 -0.303 -7.859 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.592 2.558 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.500 2.082 -8.562 1.00 0.00 H new ATOM 0 HH TYR A 4 10.331 4.164 -7.110 1.00 0.00 H new ATOM 47 N LEU A 5 6.967 -2.192 -5.249 1.00 0.00 N ATOM 48 CA LEU A 5 5.816 -1.661 -4.529 1.00 0.00 C ATOM 49 C LEU A 5 6.329 -0.872 -3.317 1.00 0.00 C ATOM 50 O LEU A 5 6.988 -1.450 -2.447 1.00 0.00 O ATOM 51 CB LEU A 5 4.908 -2.840 -4.138 1.00 0.00 C ATOM 52 CG LEU A 5 3.511 -2.444 -3.626 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.487 -3.509 -4.039 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.476 -2.302 -2.100 1.00 0.00 C ATOM 0 H LEU A 5 7.705 -2.519 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 5 5.224 -0.978 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.790 -3.491 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.409 -3.424 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 5 3.267 -1.478 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.500 -3.225 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.464 -3.589 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.769 -4.471 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.471 -2.022 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.750 -3.251 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.182 -1.532 -1.790 1.00 0.00 H new ATOM 66 N ILE A 6 6.063 0.435 -3.253 1.00 0.00 N ATOM 67 CA ILE A 6 6.391 1.276 -2.103 1.00 0.00 C ATOM 68 C ILE A 6 5.241 2.232 -1.809 1.00 0.00 C ATOM 69 O ILE A 6 4.340 2.404 -2.631 1.00 0.00 O ATOM 70 CB ILE A 6 7.701 2.065 -2.307 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.937 2.530 -3.749 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.890 1.226 -1.843 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.906 3.715 -3.807 1.00 0.00 C ATOM 0 H ILE A 6 5.607 0.944 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 6 6.543 0.614 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 6 7.602 2.968 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.336 1.704 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.986 2.814 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.812 1.789 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.776 0.986 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.932 0.303 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.049 4.017 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.495 4.550 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.865 3.422 -3.379 1.00 0.00 H new ATOM 85 N MET A 7 5.281 2.847 -0.625 1.00 0.00 N ATOM 86 CA MET A 7 4.394 3.921 -0.234 1.00 0.00 C ATOM 87 C MET A 7 5.173 5.232 -0.273 1.00 0.00 C ATOM 88 O MET A 7 6.366 5.261 0.038 1.00 0.00 O ATOM 89 CB MET A 7 3.771 3.605 1.126 1.00 0.00 C ATOM 90 CG MET A 7 4.738 3.720 2.308 1.00 0.00 C ATOM 91 SD MET A 7 4.253 2.750 3.752 1.00 0.00 S ATOM 92 CE MET A 7 2.577 3.366 4.003 1.00 0.00 C ATOM 0 H MET A 7 5.953 2.598 0.101 1.00 0.00 H new ATOM 0 HA MET A 7 3.559 4.026 -0.926 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.931 4.280 1.293 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.367 2.593 1.100 1.00 0.00 H new ATOM 0 HG2 MET A 7 5.729 3.401 1.985 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.819 4.768 2.597 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.143 2.892 4.884 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.604 4.446 4.148 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.969 3.132 3.129 1.00 0.00 H new ATOM 102 N CYS A 8 4.505 6.294 -0.706 1.00 0.00 N ATOM 103 CA CYS A 8 5.117 7.543 -1.112 1.00 0.00 C ATOM 104 C CYS A 8 4.288 8.695 -0.575 1.00 0.00 C ATOM 105 O CYS A 8 3.105 8.543 -0.263 1.00 0.00 O ATOM 106 CB CYS A 8 5.154 7.638 -2.639 1.00 0.00 C ATOM 107 SG CYS A 8 6.341 6.589 -3.500 1.00 0.00 S ATOM 0 H CYS A 8 3.488 6.305 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 8 6.133 7.587 -0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.159 7.403 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.361 8.674 -2.908 1.00 0.00 H new ATOM 112 N LYS A 9 4.915 9.865 -0.467 1.00 0.00 N ATOM 113 CA LYS A 9 4.257 11.067 0.005 1.00 0.00 C ATOM 114 C LYS A 9 3.462 11.794 -1.088 1.00 0.00 C ATOM 115 O LYS A 9 2.821 12.812 -0.836 1.00 0.00 O ATOM 116 CB LYS A 9 5.315 11.980 0.607 1.00 0.00 C ATOM 117 CG LYS A 9 5.949 11.342 1.843 1.00 0.00 C ATOM 118 CD LYS A 9 6.854 12.357 2.538 1.00 0.00 C ATOM 119 CE LYS A 9 7.862 11.706 3.500 1.00 0.00 C ATOM 120 NZ LYS A 9 7.273 10.643 4.332 1.00 0.00 N ATOM 0 H LYS A 9 5.897 9.999 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 9 3.520 10.782 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.086 12.188 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.865 12.936 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.172 11.003 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.526 10.463 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.396 12.927 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.238 13.065 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.688 11.290 2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.282 12.474 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.951 10.364 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.401 10.994 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.050 9.820 3.737 1.00 0.00 H new ATOM 134 N ASN A 10 3.552 11.340 -2.329 1.00 0.00 N ATOM 135 CA ASN A 10 2.773 11.827 -3.461 1.00 0.00 C ATOM 136 C ASN A 10 2.849 10.790 -4.569 1.00 0.00 C ATOM 137 O ASN A 10 3.360 9.694 -4.347 1.00 0.00 O ATOM 138 CB ASN A 10 3.210 13.219 -3.937 1.00 0.00 C ATOM 139 CG ASN A 10 4.668 13.318 -4.344 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.237 12.371 -4.865 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.291 14.455 -4.043 1.00 0.00 N ATOM 0 H ASN A 10 4.195 10.592 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 10 1.737 11.957 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.589 13.510 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.019 13.938 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.285 14.562 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.775 15.220 -3.608 1.00 0.00 H new ATOM 148 N CYS A 11 2.325 11.128 -5.744 1.00 0.00 N ATOM 149 CA CYS A 11 2.189 10.205 -6.860 1.00 0.00 C ATOM 150 C CYS A 11 3.454 10.149 -7.717 1.00 0.00 C ATOM 151 O CYS A 11 3.487 9.445 -8.725 1.00 0.00 O ATOM 152 CB CYS A 11 0.999 10.704 -7.686 1.00 0.00 C ATOM 153 SG CYS A 11 0.402 9.680 -9.043 1.00 0.00 S ATOM 0 H CYS A 11 1.979 12.066 -5.948 1.00 0.00 H new ATOM 0 HA CYS A 11 2.031 9.190 -6.495 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.166 10.866 -7.002 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.267 11.677 -8.098 1.00 0.00 H new ATOM 158 N ASP A 12 4.509 10.866 -7.309 1.00 0.00 N ATOM 159 CA ASP A 12 5.719 11.021 -8.119 1.00 0.00 C ATOM 160 C ASP A 12 6.978 10.673 -7.322 1.00 0.00 C ATOM 161 O ASP A 12 7.417 11.496 -6.520 1.00 0.00 O ATOM 162 CB ASP A 12 5.810 12.468 -8.613 1.00 0.00 C ATOM 163 CG ASP A 12 6.987 12.688 -9.547 1.00 0.00 C ATOM 164 OD1 ASP A 12 7.786 11.755 -9.757 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.070 13.823 -10.070 1.00 0.00 O ATOM 0 H ASP A 12 4.546 11.352 -6.413 1.00 0.00 H new ATOM 0 HA ASP A 12 5.656 10.334 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.886 12.732 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.899 13.136 -7.757 1.00 0.00 H new ATOM 170 N PRO A 13 7.630 9.521 -7.548 1.00 0.00 N ATOM 171 CA PRO A 13 8.846 9.182 -6.827 1.00 0.00 C ATOM 172 C PRO A 13 9.933 10.240 -7.028 1.00 0.00 C ATOM 173 O PRO A 13 10.795 10.401 -6.169 1.00 0.00 O ATOM 174 CB PRO A 13 9.290 7.820 -7.361 1.00 0.00 C ATOM 175 CG PRO A 13 8.712 7.807 -8.776 1.00 0.00 C ATOM 176 CD PRO A 13 7.394 8.568 -8.620 1.00 0.00 C ATOM 0 HA PRO A 13 8.665 9.145 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.376 7.722 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.899 7.001 -6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.378 8.295 -9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.551 6.791 -9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.120 9.075 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.576 7.892 -8.373 1.00 0.00 H new ATOM 184 N ASN A 14 9.901 10.997 -8.126 1.00 0.00 N ATOM 185 CA ASN A 14 10.923 12.000 -8.377 1.00 0.00 C ATOM 186 C ASN A 14 10.889 13.091 -7.313 1.00 0.00 C ATOM 187 O ASN A 14 11.912 13.724 -7.058 1.00 0.00 O ATOM 188 CB ASN A 14 10.736 12.625 -9.760 1.00 0.00 C ATOM 189 CG ASN A 14 11.949 13.463 -10.147 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.038 12.935 -10.333 1.00 0.00 O ATOM 191 ND2 ASN A 14 11.815 14.775 -10.256 1.00 0.00 N ATOM 0 H ASN A 14 9.183 10.932 -8.847 1.00 0.00 H new ATOM 0 HA ASN A 14 11.892 11.503 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.580 11.840 -10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.842 13.249 -9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.621 15.352 -10.496 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.905 15.209 -10.100 1.00 0.00 H new ATOM 198 N THR A 15 9.726 13.342 -6.706 1.00 0.00 N ATOM 199 CA THR A 15 9.559 14.372 -5.690 1.00 0.00 C ATOM 200 C THR A 15 8.671 13.883 -4.541 1.00 0.00 C ATOM 201 O THR A 15 8.120 14.690 -3.792 1.00 0.00 O ATOM 202 CB THR A 15 9.095 15.674 -6.366 1.00 0.00 C ATOM 203 OG1 THR A 15 8.948 16.768 -5.477 1.00 0.00 O ATOM 204 CG2 THR A 15 7.827 15.470 -7.193 1.00 0.00 C ATOM 0 H THR A 15 8.869 12.828 -6.911 1.00 0.00 H new ATOM 0 HA THR A 15 10.511 14.596 -5.209 1.00 0.00 H new ATOM 0 HB THR A 15 9.908 15.941 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.560 16.454 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.536 16.415 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.016 14.731 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.023 15.118 -6.546 1.00 0.00 H new ATOM 212 N GLY A 16 8.569 12.574 -4.339 1.00 0.00 N ATOM 213 CA GLY A 16 8.045 11.966 -3.137 1.00 0.00 C ATOM 214 C GLY A 16 9.161 11.179 -2.478 1.00 0.00 C ATOM 215 O GLY A 16 9.766 10.296 -3.085 1.00 0.00 O ATOM 0 H GLY A 16 8.861 11.889 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.667 12.730 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.208 11.310 -3.377 1.00 0.00 H new ATOM 219 N SER A 17 9.424 11.511 -1.225 1.00 0.00 N ATOM 220 CA SER A 17 10.325 10.789 -0.354 1.00 0.00 C ATOM 221 C SER A 17 9.587 9.540 0.120 1.00 0.00 C ATOM 222 O SER A 17 8.770 9.580 1.041 1.00 0.00 O ATOM 223 CB SER A 17 10.724 11.715 0.793 1.00 0.00 C ATOM 224 OG SER A 17 9.701 12.670 1.036 1.00 0.00 O ATOM 0 H SER A 17 8.998 12.321 -0.774 1.00 0.00 H new ATOM 0 HA SER A 17 11.243 10.477 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.906 11.130 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.656 12.225 0.550 1.00 0.00 H new ATOM 0 HG SER A 17 9.969 13.256 1.775 1.00 0.00 H new ATOM 230 N CYS A 18 9.792 8.434 -0.570 1.00 0.00 N ATOM 231 CA CYS A 18 9.057 7.206 -0.379 1.00 0.00 C ATOM 232 C CYS A 18 9.827 6.357 0.615 1.00 0.00 C ATOM 233 O CYS A 18 11.041 6.513 0.744 1.00 0.00 O ATOM 234 CB CYS A 18 8.925 6.503 -1.725 1.00 0.00 C ATOM 235 SG CYS A 18 8.194 7.461 -3.080 1.00 0.00 S ATOM 0 H CYS A 18 10.499 8.367 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 18 8.055 7.389 0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.917 6.177 -2.036 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.324 5.605 -1.582 1.00 0.00 H new ATOM 240 N ASP A 19 9.143 5.529 1.401 1.00 0.00 N ATOM 241 CA ASP A 19 9.786 4.605 2.321 1.00 0.00 C ATOM 242 C ASP A 19 9.925 3.206 1.706 1.00 0.00 C ATOM 243 O ASP A 19 9.003 2.389 1.736 1.00 0.00 O ATOM 244 CB ASP A 19 9.157 4.683 3.713 1.00 0.00 C ATOM 245 CG ASP A 19 7.652 4.656 3.794 1.00 0.00 C ATOM 246 OD1 ASP A 19 7.018 5.613 3.299 1.00 0.00 O ATOM 247 OD2 ASP A 19 7.152 3.781 4.529 1.00 0.00 O ATOM 0 H ASP A 19 8.124 5.483 1.415 1.00 0.00 H new ATOM 0 HA ASP A 19 10.819 4.910 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.542 3.852 4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.504 5.600 4.189 1.00 0.00 H new ATOM 252 N TRP A 20 11.126 2.930 1.192 1.00 0.00 N ATOM 253 CA TRP A 20 11.577 1.770 0.434 1.00 0.00 C ATOM 254 C TRP A 20 11.974 0.625 1.358 1.00 0.00 C ATOM 255 O TRP A 20 13.007 -0.026 1.170 1.00 0.00 O ATOM 256 CB TRP A 20 12.774 2.191 -0.425 1.00 0.00 C ATOM 257 CG TRP A 20 12.549 3.296 -1.405 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.548 4.618 -1.144 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.358 3.185 -2.837 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.385 5.330 -2.309 1.00 0.00 N ATOM 261 CE2 TRP A 20 12.285 4.496 -3.394 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.217 2.098 -3.713 1.00 0.00 C ATOM 263 CZ2 TRP A 20 12.124 4.718 -4.766 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.108 2.306 -5.096 1.00 0.00 C ATOM 265 CH2 TRP A 20 12.067 3.610 -5.621 1.00 0.00 C ATOM 0 H TRP A 20 11.891 3.594 1.314 1.00 0.00 H new ATOM 0 HA TRP A 20 10.762 1.414 -0.196 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.582 2.490 0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.121 1.316 -0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.659 5.055 -0.163 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.344 6.348 -2.360 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.192 1.093 -3.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.045 5.722 -5.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.055 1.458 -5.763 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.991 3.758 -6.688 1.00 0.00 H new ATOM 276 N LYS A 21 11.134 0.384 2.353 1.00 0.00 N ATOM 277 CA LYS A 21 11.261 -0.705 3.291 1.00 0.00 C ATOM 278 C LYS A 21 10.304 -1.836 2.914 1.00 0.00 C ATOM 279 O LYS A 21 9.509 -1.730 1.977 1.00 0.00 O ATOM 280 CB LYS A 21 11.013 -0.160 4.701 1.00 0.00 C ATOM 281 CG LYS A 21 12.306 -0.087 5.516 1.00 0.00 C ATOM 282 CD LYS A 21 12.727 -1.486 5.971 1.00 0.00 C ATOM 283 CE LYS A 21 13.876 -1.401 6.984 1.00 0.00 C ATOM 284 NZ LYS A 21 14.192 -2.724 7.550 1.00 0.00 N ATOM 0 H LYS A 21 10.316 0.968 2.530 1.00 0.00 H new ATOM 0 HA LYS A 21 12.264 -1.130 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.569 0.833 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.294 -0.797 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.098 0.361 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.161 0.557 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.877 -2.000 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.038 -2.077 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.761 -0.990 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.605 -0.715 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.973 -2.633 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.353 -3.104 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.473 -3.370 6.785 1.00 0.00 H new ATOM 298 N GLN A 22 10.428 -2.941 3.644 1.00 0.00 N ATOM 299 CA GLN A 22 9.695 -4.164 3.395 1.00 0.00 C ATOM 300 C GLN A 22 8.205 -3.920 3.621 1.00 0.00 C ATOM 301 O GLN A 22 7.816 -3.213 4.549 1.00 0.00 O ATOM 302 CB GLN A 22 10.214 -5.222 4.369 1.00 0.00 C ATOM 303 CG GLN A 22 9.966 -6.675 3.967 1.00 0.00 C ATOM 304 CD GLN A 22 10.475 -7.585 5.082 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.608 -8.061 5.056 1.00 0.00 O ATOM 306 NE2 GLN A 22 9.658 -7.797 6.103 1.00 0.00 N ATOM 0 H GLN A 22 11.058 -3.005 4.443 1.00 0.00 H new ATOM 0 HA GLN A 22 9.835 -4.500 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.287 -5.078 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.753 -5.050 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.903 -6.844 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.478 -6.901 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.722 -7.391 6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.965 -8.367 6.892 1.00 0.00 H new ATOM 315 N ASN A 23 7.387 -4.568 2.799 1.00 0.00 N ATOM 316 CA ASN A 23 5.925 -4.461 2.813 1.00 0.00 C ATOM 317 C ASN A 23 5.310 -5.780 3.290 1.00 0.00 C ATOM 318 O ASN A 23 4.177 -5.822 3.774 1.00 0.00 O ATOM 319 CB ASN A 23 5.355 -4.153 1.415 1.00 0.00 C ATOM 320 CG ASN A 23 6.279 -3.444 0.435 1.00 0.00 C ATOM 321 OD1 ASN A 23 7.133 -4.098 -0.154 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.089 -2.161 0.169 1.00 0.00 N ATOM 0 H ASN A 23 7.730 -5.204 2.079 1.00 0.00 H new ATOM 0 HA ASN A 23 5.673 -3.643 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.038 -5.093 0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.461 -3.543 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.659 -1.697 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.373 -1.637 0.671 1.00 0.00 H new ATOM 329 N TRP A 24 6.025 -6.883 3.065 1.00 0.00 N ATOM 330 CA TRP A 24 5.622 -8.228 3.386 1.00 0.00 C ATOM 331 C TRP A 24 5.989 -8.461 4.840 1.00 0.00 C ATOM 332 O TRP A 24 7.031 -8.006 5.302 1.00 0.00 O ATOM 333 CB TRP A 24 6.412 -9.200 2.503 1.00 0.00 C ATOM 334 CG TRP A 24 5.722 -9.591 1.239 1.00 0.00 C ATOM 335 CD1 TRP A 24 6.145 -9.292 -0.009 1.00 0.00 C ATOM 336 CD2 TRP A 24 4.479 -10.333 1.077 1.00 0.00 C ATOM 337 NE1 TRP A 24 5.259 -9.804 -0.928 1.00 0.00 N ATOM 338 CE2 TRP A 24 4.211 -10.449 -0.317 1.00 0.00 C ATOM 339 CE3 TRP A 24 3.559 -10.935 1.962 1.00 0.00 C ATOM 340 CZ2 TRP A 24 3.091 -11.118 -0.810 1.00 0.00 C ATOM 341 CZ3 TRP A 24 2.428 -11.615 1.474 1.00 0.00 C ATOM 342 CH2 TRP A 24 2.186 -11.692 0.093 1.00 0.00 C ATOM 0 H TRP A 24 6.947 -6.846 2.631 1.00 0.00 H new ATOM 0 HA TRP A 24 4.555 -8.378 3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.371 -8.746 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.626 -10.101 3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.040 -8.737 -0.248 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.367 -9.716 -1.938 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.725 -10.873 3.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.923 -11.193 -1.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.742 -12.081 2.166 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.302 -12.194 -0.273 1.00 0.00 H new ATOM 353 N ASN A 25 5.129 -9.199 5.524 1.00 0.00 N ATOM 354 CA ASN A 25 5.331 -9.715 6.876 1.00 0.00 C ATOM 355 C ASN A 25 5.902 -8.646 7.804 1.00 0.00 C ATOM 356 O ASN A 25 6.808 -8.901 8.596 1.00 0.00 O ATOM 357 CB ASN A 25 6.203 -10.979 6.857 1.00 0.00 C ATOM 358 CG ASN A 25 5.483 -12.189 6.275 1.00 0.00 C ATOM 359 OD1 ASN A 25 4.415 -12.063 5.677 1.00 0.00 O ATOM 360 ND2 ASN A 25 6.062 -13.367 6.458 1.00 0.00 N ATOM 0 H ASN A 25 4.226 -9.470 5.135 1.00 0.00 H new ATOM 0 HA ASN A 25 4.356 -9.994 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.104 -10.784 6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.524 -11.208 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.622 -14.213 6.097 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.948 -13.427 6.960 1.00 0.00 H new ATOM 367 N THR A 26 5.362 -7.438 7.714 1.00 0.00 N ATOM 368 CA THR A 26 5.576 -6.371 8.671 1.00 0.00 C ATOM 369 C THR A 26 4.465 -5.377 8.409 1.00 0.00 C ATOM 370 O THR A 26 3.970 -5.296 7.284 1.00 0.00 O ATOM 371 CB THR A 26 6.974 -5.746 8.590 1.00 0.00 C ATOM 372 OG1 THR A 26 7.128 -4.750 9.581 1.00 0.00 O ATOM 373 CG2 THR A 26 7.311 -5.145 7.223 1.00 0.00 C ATOM 0 H THR A 26 4.745 -7.170 6.948 1.00 0.00 H new ATOM 0 HA THR A 26 5.541 -6.749 9.693 1.00 0.00 H new ATOM 0 HB THR A 26 7.669 -6.569 8.756 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.026 -4.362 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.316 -4.724 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.263 -5.923 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.594 -4.359 6.984 1.00 0.00 H new ATOM 381 N CYS A 27 4.037 -4.680 9.449 1.00 0.00 N ATOM 382 CA CYS A 27 2.812 -3.928 9.479 1.00 0.00 C ATOM 383 C CYS A 27 3.081 -2.443 9.641 1.00 0.00 C ATOM 384 O CYS A 27 3.127 -1.905 10.751 1.00 0.00 O ATOM 385 CB CYS A 27 1.847 -4.507 10.497 1.00 0.00 C ATOM 386 SG CYS A 27 0.238 -3.730 10.370 1.00 0.00 S ATOM 0 H CYS A 27 4.559 -4.626 10.324 1.00 0.00 H new ATOM 0 HA CYS A 27 2.311 -4.022 8.515 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.749 -5.581 10.341 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.245 -4.366 11.502 1.00 0.00 H new ATOM 391 N VAL A 28 3.346 -1.796 8.512 1.00 0.00 N ATOM 392 CA VAL A 28 3.917 -0.466 8.449 1.00 0.00 C ATOM 393 C VAL A 28 2.799 0.564 8.573 1.00 0.00 C ATOM 394 O VAL A 28 1.640 0.277 8.265 1.00 0.00 O ATOM 395 CB VAL A 28 4.707 -0.351 7.138 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.202 1.064 6.844 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.899 -1.312 7.158 1.00 0.00 C ATOM 0 H VAL A 28 3.163 -2.198 7.593 1.00 0.00 H new ATOM 0 HA VAL A 28 4.607 -0.277 9.271 1.00 0.00 H new ATOM 0 HB VAL A 28 4.012 -0.615 6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.752 1.069 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.350 1.740 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.858 1.394 7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.454 -1.223 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.553 -1.063 7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.540 -2.335 7.271 1.00 0.00 H new ATOM 407 N GLY A 29 3.153 1.749 9.070 1.00 0.00 N ATOM 408 CA GLY A 29 2.244 2.850 9.282 1.00 0.00 C ATOM 409 C GLY A 29 2.022 3.653 7.999 1.00 0.00 C ATOM 410 O GLY A 29 2.886 3.702 7.128 1.00 0.00 O ATOM 0 H GLY A 29 4.112 1.965 9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.289 2.469 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.640 3.505 10.058 1.00 0.00 H new ATOM 414 N ILE A 30 0.873 4.312 7.909 1.00 0.00 N ATOM 415 CA ILE A 30 0.461 5.266 6.887 1.00 0.00 C ATOM 416 C ILE A 30 0.326 6.615 7.604 1.00 0.00 C ATOM 417 O ILE A 30 0.328 6.657 8.841 1.00 0.00 O ATOM 418 CB ILE A 30 -0.870 4.782 6.261 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.703 3.391 5.618 1.00 0.00 C ATOM 420 CG2 ILE A 30 -1.442 5.758 5.220 1.00 0.00 C ATOM 421 CD1 ILE A 30 -2.040 2.705 5.322 1.00 0.00 C ATOM 0 H ILE A 30 0.143 4.181 8.610 1.00 0.00 H new ATOM 0 HA ILE A 30 1.174 5.360 6.068 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.582 4.728 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.139 3.491 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.115 2.758 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.374 5.359 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.632 6.722 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.725 5.886 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.857 1.730 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.596 2.576 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.620 3.320 4.634 1.00 0.00 H new ATOM 433 N GLY A 31 0.234 7.714 6.859 1.00 0.00 N ATOM 434 CA GLY A 31 -0.211 8.995 7.382 1.00 0.00 C ATOM 435 C GLY A 31 0.857 10.073 7.308 1.00 0.00 C ATOM 436 O GLY A 31 2.049 9.789 7.174 1.00 0.00 O ATOM 0 H GLY A 31 0.469 7.736 5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.089 9.323 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.520 8.869 8.420 1.00 0.00 H new ATOM 440 N ALA A 32 0.394 11.318 7.420 1.00 0.00 N ATOM 441 CA ALA A 32 1.145 12.554 7.295 1.00 0.00 C ATOM 442 C ALA A 32 1.733 12.700 5.904 1.00 0.00 C ATOM 443 O ALA A 32 2.890 12.377 5.669 1.00 0.00 O ATOM 444 CB ALA A 32 2.179 12.703 8.409 1.00 0.00 C ATOM 0 H ALA A 32 -0.591 11.495 7.615 1.00 0.00 H new ATOM 0 HA ALA A 32 0.453 13.386 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.720 13.640 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.675 12.705 9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.881 11.870 8.368 1.00 0.00 H new ATOM 450 N ASN A 33 0.899 13.161 4.975 1.00 0.00 N ATOM 451 CA ASN A 33 1.212 13.352 3.562 1.00 0.00 C ATOM 452 C ASN A 33 1.471 12.020 2.866 1.00 0.00 C ATOM 453 O ASN A 33 1.766 12.011 1.681 1.00 0.00 O ATOM 454 CB ASN A 33 2.408 14.302 3.331 1.00 0.00 C ATOM 455 CG ASN A 33 2.279 15.656 4.022 1.00 0.00 C ATOM 456 OD1 ASN A 33 1.267 15.956 4.649 1.00 0.00 O ATOM 457 ND2 ASN A 33 3.312 16.486 3.955 1.00 0.00 N ATOM 0 H ASN A 33 -0.061 13.424 5.199 1.00 0.00 H new ATOM 0 HA ASN A 33 0.331 13.822 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.317 13.814 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.526 14.464 2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.273 17.388 4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.145 16.222 3.430 1.00 0.00 H new ATOM 464 N VAL A 34 1.317 10.890 3.559 1.00 0.00 N ATOM 465 CA VAL A 34 1.520 9.569 2.976 1.00 0.00 C ATOM 466 C VAL A 34 0.143 8.987 2.699 1.00 0.00 C ATOM 467 O VAL A 34 -0.509 8.507 3.626 1.00 0.00 O ATOM 468 CB VAL A 34 2.358 8.688 3.915 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.483 7.258 3.373 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.767 9.271 4.066 1.00 0.00 C ATOM 0 H VAL A 34 1.047 10.869 4.542 1.00 0.00 H new ATOM 0 HA VAL A 34 2.082 9.626 2.044 1.00 0.00 H new ATOM 0 HB VAL A 34 1.851 8.664 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.082 6.660 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.491 6.817 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.966 7.280 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.353 8.639 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.250 9.313 3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.702 10.276 4.482 1.00 0.00 H new ATOM 480 N HIS A 35 -0.301 9.075 1.446 1.00 0.00 N ATOM 481 CA HIS A 35 -1.580 8.548 0.993 1.00 0.00 C ATOM 482 C HIS A 35 -1.486 8.037 -0.445 1.00 0.00 C ATOM 483 O HIS A 35 -2.447 8.133 -1.208 1.00 0.00 O ATOM 484 CB HIS A 35 -2.694 9.593 1.173 1.00 0.00 C ATOM 485 CG HIS A 35 -2.570 10.890 0.401 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.578 11.484 -0.326 1.00 0.00 N ATOM 487 CD2 HIS A 35 -1.513 11.762 0.400 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.126 12.663 -0.780 1.00 0.00 C ATOM 489 NE2 HIS A 35 -1.859 12.867 -0.384 1.00 0.00 N ATOM 0 H HIS A 35 0.234 9.526 0.703 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.842 7.691 1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.640 9.127 0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.757 9.838 2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.575 11.620 0.916 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.701 13.352 -1.380 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.268 13.667 -0.610 1.00 0.00 H new ATOM 497 N TRP A 36 -0.331 7.498 -0.831 1.00 0.00 N ATOM 498 CA TRP A 36 -0.110 7.004 -2.177 1.00 0.00 C ATOM 499 C TRP A 36 0.778 5.777 -2.118 1.00 0.00 C ATOM 500 O TRP A 36 1.883 5.849 -1.590 1.00 0.00 O ATOM 501 CB TRP A 36 0.573 8.079 -3.023 1.00 0.00 C ATOM 502 CG TRP A 36 -0.202 9.344 -3.189 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.264 10.350 -2.292 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.084 9.729 -4.282 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.067 11.354 -2.779 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.607 11.026 -4.004 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.517 9.100 -5.468 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.489 11.679 -4.875 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.395 9.749 -6.356 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.876 11.038 -6.062 1.00 0.00 C ATOM 0 H TRP A 36 0.475 7.394 -0.214 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.069 6.749 -2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.535 8.318 -2.570 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.779 7.665 -4.010 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.240 10.364 -1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.242 12.234 -2.293 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.169 8.104 -5.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.866 12.662 -4.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.701 9.256 -7.267 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.544 11.535 -6.750 1.00 0.00 H new ATOM 521 N MET A 37 0.296 4.655 -2.633 1.00 0.00 N ATOM 522 CA MET A 37 1.168 3.576 -3.047 1.00 0.00 C ATOM 523 C MET A 37 1.592 3.912 -4.473 1.00 0.00 C ATOM 524 O MET A 37 0.765 4.363 -5.267 1.00 0.00 O ATOM 525 CB MET A 37 0.436 2.237 -2.961 1.00 0.00 C ATOM 526 CG MET A 37 1.353 1.069 -3.335 1.00 0.00 C ATOM 527 SD MET A 37 0.539 -0.536 -3.430 1.00 0.00 S ATOM 528 CE MET A 37 -0.172 -0.676 -1.776 1.00 0.00 C ATOM 0 H MET A 37 -0.698 4.472 -2.773 1.00 0.00 H new ATOM 0 HA MET A 37 2.042 3.479 -2.402 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.057 2.093 -1.949 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.427 2.250 -3.626 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.815 1.283 -4.299 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.158 1.009 -2.602 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.536 -1.692 -1.621 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.590 -0.446 -1.032 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.001 0.025 -1.676 1.00 0.00 H new ATOM 538 N VAL A 38 2.859 3.697 -4.803 1.00 0.00 N ATOM 539 CA VAL A 38 3.338 3.790 -6.170 1.00 0.00 C ATOM 540 C VAL A 38 4.209 2.557 -6.401 1.00 0.00 C ATOM 541 O VAL A 38 4.737 1.967 -5.453 1.00 0.00 O ATOM 542 CB VAL A 38 4.051 5.133 -6.430 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.194 5.377 -7.938 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.275 6.331 -5.861 1.00 0.00 C ATOM 0 H VAL A 38 3.582 3.453 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 38 2.522 3.791 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 38 5.020 5.058 -5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.699 6.328 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.779 4.572 -8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.206 5.404 -8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.820 7.251 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.290 6.379 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.164 6.214 -4.783 1.00 0.00 H new ATOM 554 N THR A 39 4.259 2.091 -7.642 1.00 0.00 N ATOM 555 CA THR A 39 4.878 0.831 -7.997 1.00 0.00 C ATOM 556 C THR A 39 5.858 1.055 -9.153 1.00 0.00 C ATOM 557 O THR A 39 6.044 2.179 -9.618 1.00 0.00 O ATOM 558 CB THR A 39 3.769 -0.140 -8.416 1.00 0.00 C ATOM 559 OG1 THR A 39 3.061 0.451 -9.489 1.00 0.00 O ATOM 560 CG2 THR A 39 2.775 -0.543 -7.321 1.00 0.00 C ATOM 0 H THR A 39 3.863 2.589 -8.439 1.00 0.00 H new ATOM 0 HA THR A 39 5.430 0.418 -7.152 1.00 0.00 H new ATOM 0 HB THR A 39 4.270 -1.069 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.591 1.250 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.038 -1.231 -7.734 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.310 -1.030 -6.506 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.270 0.346 -6.943 1.00 0.00 H new ATOM 568 N GLY A 40 6.421 -0.030 -9.684 1.00 0.00 N ATOM 569 CA GLY A 40 7.040 -0.006 -11.001 1.00 0.00 C ATOM 570 C GLY A 40 8.534 0.223 -10.933 1.00 0.00 C ATOM 571 O GLY A 40 9.144 -0.183 -9.956 1.00 0.00 O ATOM 0 H GLY A 40 6.459 -0.937 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.843 -0.950 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.582 0.781 -11.600 1.00 0.00 H new ATOM 626 N LYS A 46 5.706 -7.560 -10.361 1.00 0.00 N ATOM 627 CA LYS A 46 4.451 -7.329 -11.060 1.00 0.00 C ATOM 628 C LYS A 46 3.365 -6.772 -10.130 1.00 0.00 C ATOM 629 O LYS A 46 3.651 -6.463 -8.973 1.00 0.00 O ATOM 630 CB LYS A 46 4.039 -8.586 -11.812 1.00 0.00 C ATOM 631 CG LYS A 46 3.788 -9.741 -10.870 1.00 0.00 C ATOM 632 CD LYS A 46 3.153 -10.924 -11.610 1.00 0.00 C ATOM 633 CE LYS A 46 3.948 -11.358 -12.856 1.00 0.00 C ATOM 634 NZ LYS A 46 3.622 -10.594 -14.084 1.00 0.00 N ATOM 0 HA LYS A 46 4.597 -6.547 -11.805 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.137 -8.385 -12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.820 -8.858 -12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.727 -10.054 -10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.133 -9.419 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.071 -11.769 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.140 -10.656 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.013 -11.252 -12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.763 -12.416 -13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.446 -11.255 -14.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.772 -10.018 -13.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.419 -9.972 -14.328 1.00 0.00 H new ATOM 648 N GLN A 47 2.125 -6.646 -10.621 1.00 0.00 N ATOM 649 CA GLN A 47 1.001 -6.123 -9.860 1.00 0.00 C ATOM 650 C GLN A 47 0.966 -6.695 -8.443 1.00 0.00 C ATOM 651 O GLN A 47 1.333 -7.856 -8.228 1.00 0.00 O ATOM 652 CB GLN A 47 -0.290 -6.477 -10.617 1.00 0.00 C ATOM 653 CG GLN A 47 -0.499 -7.996 -10.789 1.00 0.00 C ATOM 654 CD GLN A 47 -1.519 -8.347 -11.872 1.00 0.00 C ATOM 655 OE1 GLN A 47 -1.882 -7.525 -12.705 1.00 0.00 O ATOM 656 NE2 GLN A 47 -1.987 -9.585 -11.890 1.00 0.00 N ATOM 0 H GLN A 47 1.879 -6.911 -11.575 1.00 0.00 H new ATOM 0 HA GLN A 47 1.102 -5.042 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.143 -6.058 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.267 -6.007 -11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.456 -8.462 -11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.826 -8.420 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.675 -10.258 -11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.659 -9.866 -12.604 1.00 0.00 H new ATOM 665 N GLY A 48 0.563 -5.868 -7.480 1.00 0.00 N ATOM 666 CA GLY A 48 0.656 -6.227 -6.075 1.00 0.00 C ATOM 667 C GLY A 48 -0.485 -5.627 -5.269 1.00 0.00 C ATOM 668 O GLY A 48 -1.089 -4.624 -5.664 1.00 0.00 O ATOM 0 H GLY A 48 0.169 -4.943 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.642 -7.312 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.608 -5.881 -5.672 1.00 0.00 H new ATOM 672 N CYS A 49 -0.777 -6.227 -4.120 1.00 0.00 N ATOM 673 CA CYS A 49 -1.922 -5.889 -3.301 1.00 0.00 C ATOM 674 C CYS A 49 -1.492 -5.842 -1.858 1.00 0.00 C ATOM 675 O CYS A 49 -0.549 -6.519 -1.451 1.00 0.00 O ATOM 676 CB CYS A 49 -3.032 -6.936 -3.406 1.00 0.00 C ATOM 677 SG CYS A 49 -3.880 -7.193 -4.981 1.00 0.00 S ATOM 0 H CYS A 49 -0.208 -6.978 -3.729 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.301 -4.929 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.605 -7.893 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.791 -6.680 -2.666 1.00 0.00 H new ATOM 682 N ALA A 50 -2.227 -5.071 -1.073 1.00 0.00 N ATOM 683 CA ALA A 50 -2.078 -4.974 0.364 1.00 0.00 C ATOM 684 C ALA A 50 -3.441 -5.117 1.013 1.00 0.00 C ATOM 685 O ALA A 50 -4.406 -4.537 0.534 1.00 0.00 O ATOM 686 CB ALA A 50 -1.473 -3.618 0.723 1.00 0.00 C ATOM 0 H ALA A 50 -2.971 -4.475 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.419 -5.765 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.361 -3.545 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.496 -3.518 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.130 -2.822 0.372 1.00 0.00 H new ATOM 692 N THR A 51 -3.516 -5.803 2.148 1.00 0.00 N ATOM 693 CA THR A 51 -4.654 -5.593 3.019 1.00 0.00 C ATOM 694 C THR A 51 -4.273 -4.361 3.827 1.00 0.00 C ATOM 695 O THR A 51 -3.248 -4.357 4.513 1.00 0.00 O ATOM 696 CB THR A 51 -4.918 -6.832 3.880 1.00 0.00 C ATOM 697 OG1 THR A 51 -5.254 -7.905 3.026 1.00 0.00 O ATOM 698 CG2 THR A 51 -6.105 -6.615 4.824 1.00 0.00 C ATOM 0 H THR A 51 -2.829 -6.483 2.474 1.00 0.00 H new ATOM 0 HA THR A 51 -5.591 -5.436 2.485 1.00 0.00 H new ATOM 0 HB THR A 51 -4.022 -7.035 4.467 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.425 -8.708 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.265 -7.513 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.895 -5.774 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.001 -6.403 4.240 1.00 0.00 H new ATOM 706 N ILE A 52 -5.045 -3.294 3.666 1.00 0.00 N ATOM 707 CA ILE A 52 -4.905 -2.081 4.439 1.00 0.00 C ATOM 708 C ILE A 52 -5.882 -2.197 5.605 1.00 0.00 C ATOM 709 O ILE A 52 -6.943 -2.812 5.465 1.00 0.00 O ATOM 710 CB ILE A 52 -5.142 -0.853 3.544 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.205 -0.903 2.320 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.906 0.433 4.335 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.100 0.427 1.565 1.00 0.00 C ATOM 0 H ILE A 52 -5.798 -3.253 2.980 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.899 -1.949 4.837 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.176 -0.865 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.210 -1.203 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.560 -1.672 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.077 1.294 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.593 0.471 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.879 0.452 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.424 0.312 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.086 0.720 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.715 1.196 2.235 1.00 0.00 H new ATOM 725 N TRP A 53 -5.499 -1.654 6.757 1.00 0.00 N ATOM 726 CA TRP A 53 -6.252 -1.675 7.992 1.00 0.00 C ATOM 727 C TRP A 53 -6.415 -0.257 8.518 1.00 0.00 C ATOM 728 O TRP A 53 -5.562 0.612 8.310 1.00 0.00 O ATOM 729 CB TRP A 53 -5.501 -2.499 9.031 1.00 0.00 C ATOM 730 CG TRP A 53 -5.742 -3.972 9.037 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.671 -4.607 9.782 1.00 0.00 C ATOM 732 CD2 TRP A 53 -5.012 -5.018 8.337 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.538 -5.966 9.620 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.521 -6.285 8.744 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.926 -5.021 7.445 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.977 -7.493 8.279 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.341 -6.220 7.007 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.881 -7.458 7.399 1.00 0.00 C ATOM 0 H TRP A 53 -4.609 -1.165 6.851 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.232 -2.114 7.804 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.433 -2.332 8.888 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.755 -2.111 10.018 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.405 -4.123 10.409 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.122 -6.657 10.092 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.533 -4.080 7.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.395 -8.438 8.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.472 -6.191 6.366 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.456 -8.378 7.026 1.00 0.00 H new ATOM 749 N GLU A 54 -7.506 -0.049 9.245 1.00 0.00 N ATOM 750 CA GLU A 54 -7.887 1.224 9.790 1.00 0.00 C ATOM 751 C GLU A 54 -6.787 1.743 10.701 1.00 0.00 C ATOM 752 O GLU A 54 -6.448 2.920 10.596 1.00 0.00 O ATOM 753 CB GLU A 54 -9.252 1.024 10.452 1.00 0.00 C ATOM 754 CG GLU A 54 -10.042 2.271 10.869 1.00 0.00 C ATOM 755 CD GLU A 54 -11.519 1.916 11.000 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.809 0.743 11.327 1.00 0.00 O ATOM 757 OE2 GLU A 54 -12.383 2.773 10.713 1.00 0.00 O ATOM 0 H GLU A 54 -8.164 -0.795 9.472 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.999 2.004 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.874 0.449 9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.105 0.410 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.664 2.654 11.817 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.911 3.062 10.130 1.00 0.00 H new ATOM 764 N GLY A 55 -6.149 0.908 11.527 1.00 0.00 N ATOM 765 CA GLY A 55 -5.052 1.478 12.290 1.00 0.00 C ATOM 766 C GLY A 55 -4.035 0.582 12.952 1.00 0.00 C ATOM 767 O GLY A 55 -4.041 -0.629 12.799 1.00 0.00 O ATOM 0 H GLY A 55 -6.353 -0.080 11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.507 2.145 11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.491 2.099 13.071 1.00 0.00 H new ATOM 771 N SER A 56 -3.053 1.268 13.533 1.00 0.00 N ATOM 772 CA SER A 56 -2.145 0.846 14.578 1.00 0.00 C ATOM 773 C SER A 56 -1.764 -0.626 14.586 1.00 0.00 C ATOM 774 O SER A 56 -2.287 -1.397 15.386 1.00 0.00 O ATOM 775 CB SER A 56 -2.680 1.352 15.923 1.00 0.00 C ATOM 776 OG SER A 56 -3.144 2.681 15.738 1.00 0.00 O ATOM 0 H SER A 56 -2.861 2.229 13.249 1.00 0.00 H new ATOM 0 HA SER A 56 -1.180 1.307 14.365 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.488 0.712 16.277 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.896 1.324 16.680 1.00 0.00 H new ATOM 0 HG SER A 56 -3.493 3.027 16.586 1.00 0.00 H new ATOM 782 N GLY A 57 -0.812 -1.018 13.744 1.00 0.00 N ATOM 783 CA GLY A 57 -0.385 -2.401 13.711 1.00 0.00 C ATOM 784 C GLY A 57 -1.535 -3.273 13.229 1.00 0.00 C ATOM 785 O GLY A 57 -1.782 -4.354 13.756 1.00 0.00 O ATOM 0 H GLY A 57 -0.332 -0.403 13.087 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.473 -2.513 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.065 -2.718 14.703 1.00 0.00 H new ATOM 789 N CYS A 58 -2.210 -2.785 12.188 1.00 0.00 N ATOM 790 CA CYS A 58 -3.225 -3.504 11.442 1.00 0.00 C ATOM 791 C CYS A 58 -4.300 -4.076 12.353 1.00 0.00 C ATOM 792 O CYS A 58 -4.424 -5.290 12.508 1.00 0.00 O ATOM 793 CB CYS A 58 -2.653 -4.528 10.441 1.00 0.00 C ATOM 794 SG CYS A 58 -1.069 -5.313 10.776 1.00 0.00 S ATOM 0 H CYS A 58 -2.054 -1.842 11.833 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.719 -2.765 10.812 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.392 -5.321 10.328 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.571 -4.029 9.475 1.00 0.00 H new ATOM 799 N VAL A 59 -5.093 -3.173 12.924 1.00 0.00 N ATOM 800 CA VAL A 59 -6.297 -3.432 13.665 1.00 0.00 C ATOM 801 C VAL A 59 -7.420 -2.598 13.045 1.00 0.00 C ATOM 802 O VAL A 59 -7.175 -1.787 12.146 1.00 0.00 O ATOM 803 CB VAL A 59 -6.056 -3.072 15.133 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.934 -3.930 15.731 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.772 -1.587 15.381 1.00 0.00 C ATOM 0 H VAL A 59 -4.885 -2.176 12.870 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.583 -4.483 13.623 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.997 -3.289 15.638 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.782 -3.655 16.775 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.209 -4.983 15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.012 -3.763 15.174 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.613 -1.420 16.446 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.879 -1.290 14.830 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.621 -0.993 15.043 1.00 0.00 H new ATOM 815 N GLY A 60 -8.641 -2.764 13.543 1.00 0.00 N ATOM 816 CA GLY A 60 -9.796 -2.056 13.030 1.00 0.00 C ATOM 817 C GLY A 60 -10.180 -2.651 11.684 1.00 0.00 C ATOM 818 O GLY A 60 -9.839 -3.802 11.385 1.00 0.00 O ATOM 0 H GLY A 60 -8.852 -3.396 14.315 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.629 -2.136 13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.571 -0.995 12.923 1.00 0.00 H new ATOM 822 N ARG A 61 -10.927 -1.910 10.879 1.00 0.00 N ATOM 823 CA ARG A 61 -11.526 -2.419 9.672 1.00 0.00 C ATOM 824 C ARG A 61 -10.483 -2.525 8.599 1.00 0.00 C ATOM 825 O ARG A 61 -9.447 -1.876 8.687 1.00 0.00 O ATOM 826 CB ARG A 61 -12.664 -1.480 9.319 1.00 0.00 C ATOM 827 CG ARG A 61 -13.693 -2.156 8.433 1.00 0.00 C ATOM 828 CD ARG A 61 -14.984 -1.353 8.527 1.00 0.00 C ATOM 829 NE ARG A 61 -14.948 -0.119 7.724 1.00 0.00 N ATOM 830 CZ ARG A 61 -14.711 1.124 8.188 1.00 0.00 C ATOM 831 NH1 ARG A 61 -14.196 1.310 9.406 1.00 0.00 N ATOM 832 NH2 ARG A 61 -14.999 2.176 7.418 1.00 0.00 N ATOM 0 H ARG A 61 -11.132 -0.926 11.055 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.929 -3.424 9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.144 -1.130 10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.267 -0.601 8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.342 -2.197 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.858 -3.184 8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.817 -1.973 8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.172 -1.097 9.570 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.118 -0.214 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.978 0.507 9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.021 2.255 9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.394 2.035 6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.824 3.121 7.759 1.00 0.00 H new ATOM 846 N SER A 62 -10.715 -3.386 7.616 1.00 0.00 N ATOM 847 CA SER A 62 -9.703 -3.669 6.630 1.00 0.00 C ATOM 848 C SER A 62 -10.297 -3.829 5.238 1.00 0.00 C ATOM 849 O SER A 62 -11.416 -4.333 5.089 1.00 0.00 O ATOM 850 CB SER A 62 -8.842 -4.850 7.084 1.00 0.00 C ATOM 851 OG SER A 62 -9.575 -5.731 7.921 1.00 0.00 O ATOM 0 H SER A 62 -11.591 -3.893 7.488 1.00 0.00 H new ATOM 0 HA SER A 62 -9.035 -2.812 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.477 -5.393 6.212 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.967 -4.481 7.619 1.00 0.00 H new ATOM 0 HG SER A 62 -9.000 -6.476 8.194 1.00 0.00 H new ATOM 857 N THR A 63 -9.557 -3.370 4.235 1.00 0.00 N ATOM 858 CA THR A 63 -9.946 -3.388 2.832 1.00 0.00 C ATOM 859 C THR A 63 -8.722 -3.758 1.995 1.00 0.00 C ATOM 860 O THR A 63 -7.596 -3.410 2.362 1.00 0.00 O ATOM 861 CB THR A 63 -10.511 -2.017 2.423 1.00 0.00 C ATOM 862 OG1 THR A 63 -9.760 -0.963 3.005 1.00 0.00 O ATOM 863 CG2 THR A 63 -11.972 -1.863 2.841 1.00 0.00 C ATOM 0 H THR A 63 -8.635 -2.960 4.384 1.00 0.00 H new ATOM 0 HA THR A 63 -10.729 -4.127 2.664 1.00 0.00 H new ATOM 0 HB THR A 63 -10.442 -1.962 1.337 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.165 -0.706 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.336 -0.882 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.571 -2.638 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.053 -1.959 3.924 1.00 0.00 H new ATOM 871 N THR A 64 -8.927 -4.457 0.883 1.00 0.00 N ATOM 872 CA THR A 64 -7.850 -4.883 0.011 1.00 0.00 C ATOM 873 C THR A 64 -7.544 -3.741 -0.959 1.00 0.00 C ATOM 874 O THR A 64 -8.386 -3.379 -1.785 1.00 0.00 O ATOM 875 CB THR A 64 -8.231 -6.217 -0.656 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.076 -6.933 -1.030 1.00 0.00 O ATOM 877 CG2 THR A 64 -9.143 -6.091 -1.878 1.00 0.00 C ATOM 0 H THR A 64 -9.853 -4.743 0.564 1.00 0.00 H new ATOM 0 HA THR A 64 -6.928 -5.086 0.555 1.00 0.00 H new ATOM 0 HB THR A 64 -8.800 -6.750 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.337 -7.779 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.355 -7.083 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.077 -5.610 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.648 -5.491 -2.641 1.00 0.00 H new ATOM 885 N MET A 65 -6.371 -3.131 -0.855 1.00 0.00 N ATOM 886 CA MET A 65 -5.866 -2.267 -1.902 1.00 0.00 C ATOM 887 C MET A 65 -5.149 -3.179 -2.890 1.00 0.00 C ATOM 888 O MET A 65 -4.491 -4.129 -2.474 1.00 0.00 O ATOM 889 CB MET A 65 -4.935 -1.206 -1.312 1.00 0.00 C ATOM 890 CG MET A 65 -4.874 0.029 -2.215 1.00 0.00 C ATOM 891 SD MET A 65 -6.427 0.965 -2.246 1.00 0.00 S ATOM 892 CE MET A 65 -6.049 2.154 -3.537 1.00 0.00 C ATOM 0 H MET A 65 -5.752 -3.222 -0.050 1.00 0.00 H new ATOM 0 HA MET A 65 -6.663 -1.719 -2.404 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.285 -0.920 -0.320 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.935 -1.622 -1.189 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.070 0.682 -1.874 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.624 -0.282 -3.229 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.904 2.813 -3.686 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.181 2.745 -3.244 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.832 1.626 -4.466 1.00 0.00 H new ATOM 902 N CYS A 66 -5.308 -2.931 -4.185 1.00 0.00 N ATOM 903 CA CYS A 66 -4.604 -3.675 -5.217 1.00 0.00 C ATOM 904 C CYS A 66 -4.178 -2.667 -6.260 1.00 0.00 C ATOM 905 O CYS A 66 -4.904 -1.701 -6.497 1.00 0.00 O ATOM 906 CB CYS A 66 -5.486 -4.743 -5.850 1.00 0.00 C ATOM 907 SG CYS A 66 -5.729 -6.224 -4.846 1.00 0.00 S ATOM 0 H CYS A 66 -5.929 -2.208 -4.547 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.750 -4.196 -4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.460 -4.306 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.048 -5.037 -6.804 1.00 0.00 H new ATOM 912 N CYS A 67 -2.997 -2.850 -6.841 1.00 0.00 N ATOM 913 CA CYS A 67 -2.356 -1.876 -7.715 1.00 0.00 C ATOM 914 C CYS A 67 -1.468 -2.594 -8.740 1.00 0.00 C ATOM 915 O CYS A 67 -0.600 -3.368 -8.327 1.00 0.00 O ATOM 916 CB CYS A 67 -1.498 -0.946 -6.857 1.00 0.00 C ATOM 917 SG CYS A 67 -0.930 0.530 -7.728 1.00 0.00 S ATOM 0 H CYS A 67 -2.447 -3.699 -6.714 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.115 -1.304 -8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.072 -0.642 -5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.631 -1.498 -6.494 1.00 0.00 H new ATOM 922 N PRO A 68 -1.671 -2.391 -10.052 1.00 0.00 N ATOM 923 CA PRO A 68 -0.736 -2.841 -11.079 1.00 0.00 C ATOM 924 C PRO A 68 0.676 -2.338 -10.780 1.00 0.00 C ATOM 925 O PRO A 68 0.819 -1.336 -10.083 1.00 0.00 O ATOM 926 CB PRO A 68 -1.248 -2.247 -12.398 1.00 0.00 C ATOM 927 CG PRO A 68 -2.717 -1.906 -12.132 1.00 0.00 C ATOM 928 CD PRO A 68 -2.786 -1.661 -10.627 1.00 0.00 C ATOM 0 HA PRO A 68 -0.683 -3.929 -11.121 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.681 -1.359 -12.678 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.150 -2.960 -13.217 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.027 -1.024 -12.692 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.374 -2.722 -12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.714 -0.597 -10.401 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.734 -2.010 -10.218 1.00 0.00 H new ATOM 936 N ALA A 69 1.716 -2.992 -11.309 1.00 0.00 N ATOM 937 CA ALA A 69 3.052 -2.426 -11.204 1.00 0.00 C ATOM 938 C ALA A 69 3.264 -1.438 -12.344 1.00 0.00 C ATOM 939 O ALA A 69 2.878 -1.716 -13.477 1.00 0.00 O ATOM 940 CB ALA A 69 4.168 -3.471 -11.124 1.00 0.00 C ATOM 0 H ALA A 69 1.657 -3.885 -11.798 1.00 0.00 H new ATOM 0 HA ALA A 69 3.114 -1.901 -10.251 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.132 -2.968 -11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.016 -4.099 -10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.152 -4.090 -12.021 1.00 0.00 H new ATOM 946 N ASN A 70 3.889 -0.304 -12.040 1.00 0.00 N ATOM 947 CA ASN A 70 4.100 0.822 -12.944 1.00 0.00 C ATOM 948 C ASN A 70 2.808 1.605 -13.075 1.00 0.00 C ATOM 949 O ASN A 70 2.411 2.010 -14.168 1.00 0.00 O ATOM 950 CB ASN A 70 4.711 0.446 -14.304 1.00 0.00 C ATOM 951 CG ASN A 70 5.995 -0.342 -14.132 1.00 0.00 C ATOM 952 OD1 ASN A 70 7.061 0.235 -13.925 1.00 0.00 O ATOM 953 ND2 ASN A 70 5.913 -1.665 -14.164 1.00 0.00 N ATOM 0 H ASN A 70 4.280 -0.138 -11.113 1.00 0.00 H new ATOM 0 HA ASN A 70 4.863 1.459 -12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.994 -0.143 -14.877 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.911 1.351 -14.878 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.748 -2.231 -14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.015 -2.116 -14.338 1.00 0.00 H new ATOM 960 N THR A 71 2.156 1.839 -11.940 1.00 0.00 N ATOM 961 CA THR A 71 1.114 2.831 -11.841 1.00 0.00 C ATOM 962 C THR A 71 1.105 3.380 -10.416 1.00 0.00 C ATOM 963 O THR A 71 1.790 2.867 -9.524 1.00 0.00 O ATOM 964 CB THR A 71 -0.217 2.242 -12.341 1.00 0.00 C ATOM 965 OG1 THR A 71 -1.087 3.241 -12.833 1.00 0.00 O ATOM 966 CG2 THR A 71 -0.974 1.445 -11.284 1.00 0.00 C ATOM 0 H THR A 71 2.342 1.342 -11.069 1.00 0.00 H new ATOM 0 HA THR A 71 1.293 3.688 -12.491 1.00 0.00 H new ATOM 0 HB THR A 71 0.079 1.564 -13.142 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.919 2.827 -13.142 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.901 1.062 -11.711 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.358 0.611 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.205 2.091 -10.437 1.00 0.00 H new ATOM 974 N CYS A 72 0.351 4.454 -10.233 1.00 0.00 N ATOM 975 CA CYS A 72 0.254 5.231 -9.010 1.00 0.00 C ATOM 976 C CYS A 72 -1.154 5.054 -8.458 1.00 0.00 C ATOM 977 O CYS A 72 -2.108 4.965 -9.231 1.00 0.00 O ATOM 978 CB CYS A 72 0.534 6.690 -9.352 1.00 0.00 C ATOM 979 SG CYS A 72 -0.082 7.862 -8.148 1.00 0.00 S ATOM 0 H CYS A 72 -0.241 4.825 -10.976 1.00 0.00 H new ATOM 0 HA CYS A 72 0.973 4.905 -8.259 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.610 6.826 -9.456 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.089 6.915 -10.321 1.00 0.00 H new ATOM 984 N CYS A 73 -1.290 4.905 -7.141 1.00 0.00 N ATOM 985 CA CYS A 73 -2.501 4.398 -6.515 1.00 0.00 C ATOM 986 C CYS A 73 -2.745 5.188 -5.235 1.00 0.00 C ATOM 987 O CYS A 73 -2.086 4.949 -4.226 1.00 0.00 O ATOM 988 CB CYS A 73 -2.327 2.895 -6.240 1.00 0.00 C ATOM 989 SG CYS A 73 -2.578 1.833 -7.690 1.00 0.00 S ATOM 0 H CYS A 73 -0.552 5.136 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.368 4.520 -7.164 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.324 2.723 -5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.029 2.597 -5.461 1.00 0.00 H new ATOM 994 N ASN A 74 -3.669 6.152 -5.260 1.00 0.00 N ATOM 995 CA ASN A 74 -4.041 6.917 -4.069 1.00 0.00 C ATOM 996 C ASN A 74 -4.755 6.017 -3.065 1.00 0.00 C ATOM 997 O ASN A 74 -5.695 5.315 -3.433 1.00 0.00 O ATOM 998 CB ASN A 74 -4.970 8.081 -4.424 1.00 0.00 C ATOM 999 CG ASN A 74 -5.626 8.687 -3.184 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.846 8.689 -3.059 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -4.851 9.179 -2.227 1.00 0.00 N ATOM 0 H ASN A 74 -4.177 6.422 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.122 7.311 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.403 8.851 -4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.743 7.733 -5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.269 9.563 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.837 9.174 -2.339 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.320 6.051 -1.810 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.909 5.363 -0.679 1.00 0.00 C ATOM 1010 C ILE A 75 -5.863 6.348 -0.006 1.00 0.00 C ATOM 1011 O ILE A 75 -5.413 7.288 0.648 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.750 4.935 0.245 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.115 3.624 -0.217 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.160 4.669 1.686 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.584 3.695 -1.632 1.00 0.00 C ATOM 0 H ILE A 75 -3.498 6.593 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.473 4.472 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.069 5.785 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.301 3.362 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.853 2.825 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.285 4.374 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.590 5.574 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.899 3.868 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.145 2.735 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.400 3.928 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.824 4.473 -1.697 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.176 6.159 -0.150 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.163 7.009 0.512 1.00 0.00 C ATOM 1029 C ASN A 76 -9.536 6.356 0.435 1.00 0.00 C ATOM 1030 O ASN A 76 -10.399 6.805 -0.317 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.187 8.404 -0.130 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.876 9.427 0.763 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -8.219 10.352 1.238 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -10.172 9.294 1.006 1.00 0.00 N ATOM 0 H ASN A 76 -7.581 5.419 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.888 7.125 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.166 8.728 -0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.702 8.354 -1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.651 9.970 1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.690 8.516 0.598 1.00 0.00 H new ATOM 1041 N THR A 77 -9.743 5.271 1.178 1.00 0.00 N ATOM 1042 CA THR A 77 -10.966 4.497 1.042 1.00 0.00 C ATOM 1043 C THR A 77 -12.147 5.238 1.693 1.00 0.00 C ATOM 1044 O THR A 77 -12.073 6.435 1.968 1.00 0.00 O ATOM 1045 CB THR A 77 -10.755 3.074 1.589 1.00 0.00 C ATOM 1046 OG1 THR A 77 -10.876 3.027 3.004 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.423 2.450 1.159 1.00 0.00 C ATOM 0 H THR A 77 -9.086 4.914 1.872 1.00 0.00 H new ATOM 0 HA THR A 77 -11.221 4.389 -0.012 1.00 0.00 H new ATOM 0 HB THR A 77 -11.552 2.477 1.146 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.522 3.855 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.338 1.448 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.383 2.392 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.599 3.066 1.521 1.00 0.00 H new ATOM 1055 N GLY A 78 -13.225 4.519 2.007 1.00 0.00 N ATOM 1056 CA GLY A 78 -14.294 5.033 2.845 1.00 0.00 C ATOM 1057 C GLY A 78 -13.788 5.426 4.232 1.00 0.00 C ATOM 1058 O GLY A 78 -14.420 6.242 4.897 1.00 0.00 O ATOM 0 H GLY A 78 -13.376 3.563 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.748 5.900 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.074 4.278 2.943 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.681 4.840 4.697 1.00 0.00 N ATOM 1063 CA PHE A 79 -11.998 5.284 5.889 1.00 0.00 C ATOM 1064 C PHE A 79 -10.608 5.725 5.530 1.00 0.00 C ATOM 1065 O PHE A 79 -10.018 5.241 4.561 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.954 4.188 6.959 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.555 2.781 6.528 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.446 1.997 5.779 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.391 2.184 7.047 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -12.217 0.623 5.595 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -10.132 0.821 6.820 1.00 0.00 C ATOM 1072 CZ PHE A 79 -11.057 0.034 6.117 1.00 0.00 C ATOM 0 H PHE A 79 -12.240 4.039 4.245 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.552 6.123 6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.260 4.508 7.736 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.941 4.129 7.417 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.319 2.456 5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.694 2.775 7.622 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.933 0.022 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.218 0.378 7.188 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.876 -1.022 5.979 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.110 6.624 6.375 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.716 6.937 6.450 1.00 0.00 C ATOM 1084 C TYR A 80 -8.029 5.763 7.145 1.00 0.00 C ATOM 1085 O TYR A 80 -8.607 5.181 8.065 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.518 8.241 7.224 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.059 8.536 7.502 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.178 8.751 6.425 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.539 8.276 8.784 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.790 8.644 6.618 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.155 8.140 8.969 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.284 8.294 7.879 1.00 0.00 C ATOM 1093 OH TYR A 80 -2.950 8.095 8.051 1.00 0.00 O ATOM 0 H TYR A 80 -10.685 7.154 7.029 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.285 7.084 5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.950 9.065 6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.060 8.185 8.168 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.569 8.998 5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.207 8.181 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.114 8.831 5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.760 7.917 9.949 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.732 7.158 7.864 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.832 5.394 6.699 1.00 0.00 N ATOM 1104 CA ILE A 81 -6.169 4.166 7.076 1.00 0.00 C ATOM 1105 C ILE A 81 -4.830 4.502 7.724 1.00 0.00 C ATOM 1106 O ILE A 81 -4.110 5.353 7.207 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.987 3.265 5.856 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.649 4.101 4.615 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -7.249 2.401 5.680 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.904 4.510 3.849 1.00 0.00 C ATOM 0 H ILE A 81 -6.288 5.961 6.048 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.780 3.621 7.796 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.143 2.591 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.100 4.993 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.993 3.529 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.129 1.754 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.398 1.789 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.115 3.047 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.622 5.101 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.439 3.618 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.548 5.104 4.497 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.475 3.847 8.831 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.190 4.053 9.485 1.00 0.00 C ATOM 1124 C ARG A 82 -2.222 2.877 9.280 1.00 0.00 C ATOM 1125 O ARG A 82 -1.028 3.106 9.436 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.350 4.530 10.949 1.00 0.00 C ATOM 1127 CG ARG A 82 -2.071 4.245 11.749 1.00 0.00 C ATOM 1128 CD ARG A 82 -2.031 4.725 13.192 1.00 0.00 C ATOM 1129 NE ARG A 82 -0.835 4.147 13.835 1.00 0.00 N ATOM 1130 CZ ARG A 82 -0.351 4.466 15.041 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -0.671 5.632 15.603 1.00 0.00 N ATOM 1132 NH2 ARG A 82 0.469 3.624 15.668 1.00 0.00 N ATOM 0 H ARG A 82 -5.071 3.162 9.295 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.696 4.884 8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.568 5.598 10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.197 4.024 11.412 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.904 3.168 11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.233 4.698 11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.995 5.814 13.230 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.933 4.417 13.720 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.328 3.435 13.309 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.286 6.282 15.114 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.301 5.874 16.522 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.726 2.740 15.229 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.840 3.863 16.587 1.00 0.00 H new ATOM 1146 N SER A 83 -2.634 1.641 8.971 1.00 0.00 N ATOM 1147 CA SER A 83 -1.621 0.597 8.707 1.00 0.00 C ATOM 1148 C SER A 83 -1.958 -0.282 7.504 1.00 0.00 C ATOM 1149 O SER A 83 -3.079 -0.235 7.010 1.00 0.00 O ATOM 1150 CB SER A 83 -1.383 -0.284 9.936 1.00 0.00 C ATOM 1151 OG SER A 83 -1.299 0.444 11.152 1.00 0.00 O ATOM 0 H SER A 83 -3.607 1.343 8.898 1.00 0.00 H new ATOM 0 HA SER A 83 -0.706 1.140 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.192 -1.011 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.460 -0.847 9.795 1.00 0.00 H new ATOM 0 HG SER A 83 -0.367 0.697 11.318 1.00 0.00 H new ATOM 1157 N TYR A 84 -1.021 -1.129 7.066 1.00 0.00 N ATOM 1158 CA TYR A 84 -1.276 -2.140 6.044 1.00 0.00 C ATOM 1159 C TYR A 84 -0.214 -3.230 6.113 1.00 0.00 C ATOM 1160 O TYR A 84 0.838 -3.022 6.722 1.00 0.00 O ATOM 1161 CB TYR A 84 -1.285 -1.518 4.639 1.00 0.00 C ATOM 1162 CG TYR A 84 0.088 -1.194 4.093 1.00 0.00 C ATOM 1163 CD1 TYR A 84 0.814 -0.119 4.632 1.00 0.00 C ATOM 1164 CD2 TYR A 84 0.739 -2.136 3.276 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.199 -0.046 4.432 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.120 -2.051 3.066 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.858 -1.031 3.681 1.00 0.00 C ATOM 1168 OH TYR A 84 4.202 -1.190 3.819 1.00 0.00 O ATOM 0 H TYR A 84 -0.062 -1.130 7.414 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.258 -2.573 6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.783 -2.204 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.879 -0.604 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.307 0.648 5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.171 -2.927 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.761 0.772 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.616 -2.770 2.431 1.00 0.00 H new ATOM 0 HH TYR A 84 4.611 -0.330 4.050 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.449 -4.355 5.436 1.00 0.00 N ATOM 1179 CA ARG A 85 0.575 -5.343 5.172 1.00 0.00 C ATOM 1180 C ARG A 85 0.269 -6.010 3.827 1.00 0.00 C ATOM 1181 O ARG A 85 -0.893 -6.126 3.431 1.00 0.00 O ATOM 1182 CB ARG A 85 0.679 -6.294 6.370 1.00 0.00 C ATOM 1183 CG ARG A 85 1.885 -7.227 6.255 1.00 0.00 C ATOM 1184 CD ARG A 85 1.546 -8.469 5.431 1.00 0.00 C ATOM 1185 NE ARG A 85 1.698 -9.717 6.199 1.00 0.00 N ATOM 1186 CZ ARG A 85 1.299 -10.911 5.733 1.00 0.00 C ATOM 1187 NH1 ARG A 85 0.884 -11.001 4.471 1.00 0.00 N ATOM 1188 NH2 ARG A 85 1.277 -11.989 6.515 1.00 0.00 N ATOM 0 H ARG A 85 -1.364 -4.599 5.057 1.00 0.00 H new ATOM 0 HA ARG A 85 1.567 -4.902 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.756 -5.713 7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.233 -6.887 6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.716 -6.696 5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.213 -7.526 7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.521 -8.392 5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.192 -8.506 4.554 1.00 0.00 H new ATOM 0 HE ARG A 85 2.125 -9.672 7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.873 -10.172 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.577 -11.899 4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.567 -11.918 7.490 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.970 -12.886 6.139 1.00 0.00 H new ATOM 1202 N ARG A 86 1.322 -6.364 3.089 1.00 0.00 N ATOM 1203 CA ARG A 86 1.235 -6.820 1.709 1.00 0.00 C ATOM 1204 C ARG A 86 0.620 -8.226 1.596 1.00 0.00 C ATOM 1205 O ARG A 86 0.772 -9.026 2.522 1.00 0.00 O ATOM 1206 CB ARG A 86 2.636 -6.728 1.105 1.00 0.00 C ATOM 1207 CG ARG A 86 2.595 -7.023 -0.384 1.00 0.00 C ATOM 1208 CD ARG A 86 3.886 -6.651 -1.101 1.00 0.00 C ATOM 1209 NE ARG A 86 3.719 -7.095 -2.477 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.402 -6.703 -3.548 1.00 0.00 C ATOM 1211 NH1 ARG A 86 5.578 -6.098 -3.420 1.00 0.00 N ATOM 1212 NH2 ARG A 86 3.847 -6.924 -4.728 1.00 0.00 N ATOM 0 H ARG A 86 2.277 -6.340 3.445 1.00 0.00 H new ATOM 0 HA ARG A 86 0.555 -6.183 1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.046 -5.732 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.300 -7.434 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.396 -8.084 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.766 -6.477 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.062 -5.576 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.745 -7.135 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 86 2.991 -7.790 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.967 -5.930 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.092 -5.802 -4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.935 -7.377 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.331 -6.642 -5.580 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.070 -8.518 0.483 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.748 -9.790 0.221 1.00 0.00 C ATOM 1228 C VAL A 87 -0.575 -10.342 -1.212 1.00 0.00 C ATOM 1229 O VAL A 87 -1.006 -11.471 -1.456 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.224 -9.744 0.657 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.352 -9.395 2.144 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -3.066 -8.779 -0.182 1.00 0.00 C ATOM 0 H VAL A 87 -0.173 -7.851 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.232 -10.518 0.847 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.618 -10.746 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.406 -9.370 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.837 -10.148 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.905 -8.418 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.096 -8.791 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.663 -7.770 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.039 -9.087 -1.227 1.00 0.00 H new ATOM 1242 N GLU A 88 0.023 -9.611 -2.161 1.00 0.00 N ATOM 1243 CA GLU A 88 0.618 -10.180 -3.358 1.00 0.00 C ATOM 1244 C GLU A 88 1.605 -9.179 -3.956 1.00 0.00 C ATOM 1245 CB GLU A 88 -0.387 -10.650 -4.405 1.00 0.00 C ATOM 1246 CG GLU A 88 -1.392 -9.605 -4.910 1.00 0.00 C ATOM 1247 CD GLU A 88 -1.684 -9.736 -6.392 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -1.467 -10.845 -6.920 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -2.170 -8.767 -7.005 1.00 0.00 O ATOM 0 H GLU A 88 0.104 -8.595 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 88 1.136 -11.087 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.167 -11.032 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.947 -11.488 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.323 -9.704 -4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.003 -8.607 -4.708 1.00 0.00 H new