USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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 7 LYS NZ :NH3+ 138:sc= -2.24! (180deg=-4.22!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 15 THR OG1 : rot -45:sc= 0.517 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.79! C(o=-4.8!,f=-6.1!) USER MOD Single : A 19 GLN : amide:sc= 0.0123! C(o=0.012!,f=-8.1!) USER MOD Single : A 21 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.46) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -21:sc= -1.89 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.23) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -69:sc= 0.558 USER MOD Single : A 46 ASN : amide:sc= -6.56! C(o=-6.6!,f=-13!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 51 THR OG1 : rot -170:sc= -1.98 USER MOD Single : A 54 THR OG1 : rot -88:sc= 1.54 USER MOD Single : A 57 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-5.5!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 150:sc= 0.313 USER MOD Single : A 66 HIS : no HE2:sc= -28! C(o=-28!,f=-35!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00279 USER MOD Single : A 73 SER OG : rot -111:sc= 0.244 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -179:sc= -14.9! (180deg=-15.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= -2.7 (180deg=-3.35) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 165:sc= -8.2! (180deg=-8.87!) USER MOD Single : A 92 SER OG : rot 140:sc= -2.21 USER MOD Single : A 94 THR OG1 : rot 11:sc= 0.653! USER MOD Single : A 99 ASN : amide:sc= -16.5! C(o=-16!,f=-27!) USER MOD Single : A 105 SER OG : rot -11:sc= 0.71! USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.354 -3.700 -3.339 1.00 0.00 N ATOM 78 CA LEU A 5 12.212 -4.095 -4.438 1.00 0.00 C ATOM 79 C LEU A 5 13.466 -3.234 -4.450 1.00 0.00 C ATOM 80 O LEU A 5 13.413 -2.050 -4.122 1.00 0.00 O ATOM 81 CB LEU A 5 11.450 -3.957 -5.753 1.00 0.00 C ATOM 82 CG LEU A 5 10.516 -5.152 -5.928 1.00 0.00 C ATOM 83 CD1 LEU A 5 11.295 -6.444 -5.701 1.00 0.00 C ATOM 84 CD2 LEU A 5 9.378 -5.058 -4.917 1.00 0.00 C ATOM 0 HA LEU A 5 12.511 -5.136 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.877 -3.030 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.150 -3.903 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 5 10.106 -5.149 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.629 -7.297 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.108 -6.510 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.705 -6.449 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.710 -5.911 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.788 -5.061 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.822 -4.135 -5.080 1.00 0.00 H new ATOM 96 N CYS A 6 14.599 -3.830 -4.831 1.00 0.00 N ATOM 97 CA CYS A 6 15.859 -3.119 -4.883 1.00 0.00 C ATOM 98 C CYS A 6 16.726 -3.688 -5.998 1.00 0.00 C ATOM 99 O CYS A 6 16.509 -4.814 -6.442 1.00 0.00 O ATOM 100 CB CYS A 6 16.566 -3.235 -3.536 1.00 0.00 C ATOM 101 SG CYS A 6 15.643 -2.510 -2.157 1.00 0.00 S ATOM 0 H CYS A 6 14.659 -4.810 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 6 15.677 -2.065 -5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.750 -4.288 -3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.539 -2.749 -3.605 1.00 0.00 H new ATOM 106 N LYS A 7 17.710 -2.907 -6.449 1.00 0.00 N ATOM 107 CA LYS A 7 18.602 -3.338 -7.507 1.00 0.00 C ATOM 108 C LYS A 7 19.594 -4.358 -6.966 1.00 0.00 C ATOM 109 O LYS A 7 20.390 -4.046 -6.084 1.00 0.00 O ATOM 110 CB LYS A 7 19.331 -2.126 -8.081 1.00 0.00 C ATOM 111 CG LYS A 7 18.330 -1.220 -8.792 1.00 0.00 C ATOM 112 CD LYS A 7 17.875 -1.883 -10.090 1.00 0.00 C ATOM 113 CE LYS A 7 18.848 -1.526 -11.211 1.00 0.00 C ATOM 114 NZ LYS A 7 18.145 -0.898 -12.340 1.00 0.00 N ATOM 0 H LYS A 7 17.903 -1.971 -6.091 1.00 0.00 H new ATOM 0 HA LYS A 7 18.026 -3.810 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.831 -1.577 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.104 -2.450 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.472 -1.032 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.786 -0.253 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.831 -2.965 -9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.869 -1.551 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.612 -0.848 -10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.361 -2.425 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.705 -0.096 -12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.018 -1.595 -13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.215 -0.558 -12.024 1.00 0.00 H new ATOM 128 N PHE A 8 19.542 -5.580 -7.498 1.00 0.00 N ATOM 129 CA PHE A 8 20.435 -6.637 -7.067 1.00 0.00 C ATOM 130 C PHE A 8 21.195 -7.193 -8.263 1.00 0.00 C ATOM 131 O PHE A 8 20.968 -8.328 -8.675 1.00 0.00 O ATOM 132 CB PHE A 8 19.626 -7.736 -6.383 1.00 0.00 C ATOM 133 CG PHE A 8 20.444 -8.589 -5.442 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.309 -9.564 -5.952 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.339 -8.402 -4.058 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.068 -10.353 -5.080 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.098 -9.191 -3.185 1.00 0.00 C ATOM 138 CZ PHE A 8 21.962 -10.167 -3.697 1.00 0.00 C ATOM 0 H PHE A 8 18.886 -5.855 -8.229 1.00 0.00 H new ATOM 0 HA PHE A 8 21.159 -6.239 -6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.806 -7.281 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.179 -8.375 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.391 -9.708 -7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.672 -7.649 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.735 -11.105 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.017 -9.047 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.547 -10.777 -3.024 1.00 0.00 H new ATOM 148 N CYS A 9 22.101 -6.386 -8.822 1.00 0.00 N ATOM 149 CA CYS A 9 22.890 -6.798 -9.966 1.00 0.00 C ATOM 150 C CYS A 9 24.361 -6.860 -9.581 1.00 0.00 C ATOM 151 O CYS A 9 24.813 -6.104 -8.724 1.00 0.00 O ATOM 152 CB CYS A 9 22.672 -5.815 -11.114 1.00 0.00 C ATOM 153 SG CYS A 9 23.983 -4.579 -11.283 1.00 0.00 S ATOM 0 H CYS A 9 22.300 -5.441 -8.493 1.00 0.00 H new ATOM 0 HA CYS A 9 22.577 -7.790 -10.291 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.591 -6.373 -12.047 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.721 -5.303 -10.965 1.00 0.00 H new ATOM 158 N ASP A 10 25.108 -7.765 -10.218 1.00 0.00 N ATOM 159 CA ASP A 10 26.522 -7.922 -9.940 1.00 0.00 C ATOM 160 C ASP A 10 27.287 -6.715 -10.462 1.00 0.00 C ATOM 161 O ASP A 10 26.754 -5.933 -11.247 1.00 0.00 O ATOM 162 CB ASP A 10 27.027 -9.206 -10.589 1.00 0.00 C ATOM 163 CG ASP A 10 25.912 -10.235 -10.701 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.481 -10.723 -9.634 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.512 -10.516 -11.852 1.00 0.00 O ATOM 0 H ASP A 10 24.747 -8.399 -10.931 1.00 0.00 H new ATOM 0 HA ASP A 10 26.680 -7.989 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.424 -8.985 -11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.848 -9.616 -10.001 1.00 0.00 H new ATOM 170 N VAL A 11 28.539 -6.563 -10.024 1.00 0.00 N ATOM 171 CA VAL A 11 29.369 -5.454 -10.448 1.00 0.00 C ATOM 172 C VAL A 11 29.933 -5.735 -11.834 1.00 0.00 C ATOM 173 O VAL A 11 30.711 -6.670 -12.012 1.00 0.00 O ATOM 174 CB VAL A 11 30.492 -5.245 -9.438 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.605 -6.473 -8.540 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.810 -5.036 -10.180 1.00 0.00 C ATOM 0 H VAL A 11 28.994 -7.203 -9.373 1.00 0.00 H new ATOM 0 HA VAL A 11 28.771 -4.544 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 11 30.273 -4.368 -8.828 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.408 -6.323 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.664 -6.624 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.824 -7.350 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.614 -4.886 -9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.028 -5.913 -10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.731 -4.159 -10.822 1.00 0.00 H new ATOM 186 N LYS A 12 29.540 -4.921 -12.817 1.00 0.00 N ATOM 187 CA LYS A 12 30.010 -5.086 -14.178 1.00 0.00 C ATOM 188 C LYS A 12 30.416 -3.736 -14.754 1.00 0.00 C ATOM 189 O LYS A 12 30.019 -2.693 -14.239 1.00 0.00 O ATOM 190 CB LYS A 12 28.909 -5.724 -15.021 1.00 0.00 C ATOM 191 CG LYS A 12 27.560 -5.512 -14.339 1.00 0.00 C ATOM 192 CD LYS A 12 26.461 -5.439 -15.395 1.00 0.00 C ATOM 193 CE LYS A 12 25.392 -6.485 -15.091 1.00 0.00 C ATOM 194 NZ LYS A 12 24.889 -7.101 -16.329 1.00 0.00 N ATOM 0 H LYS A 12 28.895 -4.141 -12.686 1.00 0.00 H new ATOM 0 HA LYS A 12 30.883 -5.739 -14.188 1.00 0.00 H new ATOM 0 HB2 LYS A 12 28.898 -5.284 -16.018 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.102 -6.789 -15.145 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.359 -6.329 -13.646 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.577 -4.593 -13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.018 -4.443 -15.406 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.882 -5.611 -16.386 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.806 -7.255 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.567 -6.021 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.163 -7.808 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.473 -6.367 -16.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.674 -7.563 -16.831 1.00 0.00 H new ATOM 208 N ALA A 13 31.212 -3.760 -15.825 1.00 0.00 N ATOM 209 CA ALA A 13 31.669 -2.542 -16.464 1.00 0.00 C ATOM 210 C ALA A 13 30.476 -1.667 -16.818 1.00 0.00 C ATOM 211 O ALA A 13 29.672 -2.026 -17.675 1.00 0.00 O ATOM 212 CB ALA A 13 32.472 -2.895 -17.714 1.00 0.00 C ATOM 0 H ALA A 13 31.550 -4.617 -16.263 1.00 0.00 H new ATOM 0 HA ALA A 13 32.311 -1.986 -15.781 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.816 -1.980 -18.196 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.332 -3.504 -17.434 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.842 -3.454 -18.406 1.00 0.00 H new ATOM 218 N THR A 14 30.362 -0.513 -16.155 1.00 0.00 N ATOM 219 CA THR A 14 29.269 0.404 -16.405 1.00 0.00 C ATOM 220 C THR A 14 29.751 1.563 -17.264 1.00 0.00 C ATOM 221 O THR A 14 30.953 1.791 -17.392 1.00 0.00 O ATOM 222 CB THR A 14 28.717 0.909 -15.075 1.00 0.00 C ATOM 223 OG1 THR A 14 27.697 1.852 -15.319 1.00 0.00 O ATOM 224 CG2 THR A 14 29.837 1.567 -14.275 1.00 0.00 C ATOM 0 H THR A 14 31.020 -0.199 -15.441 1.00 0.00 H new ATOM 0 HA THR A 14 28.473 -0.112 -16.943 1.00 0.00 H new ATOM 0 HB THR A 14 28.311 0.071 -14.508 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.340 2.176 -14.466 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.442 1.928 -13.325 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.626 0.839 -14.087 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.244 2.405 -14.840 1.00 0.00 H new ATOM 232 N THR A 15 28.808 2.301 -17.855 1.00 0.00 N ATOM 233 CA THR A 15 29.142 3.432 -18.696 1.00 0.00 C ATOM 234 C THR A 15 28.609 4.715 -18.075 1.00 0.00 C ATOM 235 O THR A 15 28.440 5.720 -18.763 1.00 0.00 O ATOM 236 CB THR A 15 28.552 3.221 -20.088 1.00 0.00 C ATOM 237 OG1 THR A 15 29.079 4.184 -20.973 1.00 0.00 O ATOM 238 CG2 THR A 15 27.035 3.363 -20.026 1.00 0.00 C ATOM 0 H THR A 15 27.807 2.128 -17.761 1.00 0.00 H new ATOM 0 HA THR A 15 30.225 3.517 -18.782 1.00 0.00 H new ATOM 0 HB THR A 15 28.808 2.223 -20.443 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.055 5.067 -20.548 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.615 3.212 -21.020 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.627 2.618 -19.343 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.777 4.361 -19.671 1.00 0.00 H new ATOM 246 N CYS A 16 28.345 4.680 -16.767 1.00 0.00 N ATOM 247 CA CYS A 16 27.834 5.835 -16.057 1.00 0.00 C ATOM 248 C CYS A 16 28.988 6.748 -15.663 1.00 0.00 C ATOM 249 O CYS A 16 30.062 6.273 -15.303 1.00 0.00 O ATOM 250 CB CYS A 16 27.064 5.374 -14.824 1.00 0.00 C ATOM 251 SG CYS A 16 25.496 6.243 -14.569 1.00 0.00 S ATOM 0 H CYS A 16 28.481 3.855 -16.183 1.00 0.00 H new ATOM 0 HA CYS A 16 27.157 6.394 -16.703 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.866 4.306 -14.910 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.692 5.512 -13.944 1.00 0.00 H new ATOM 256 N SER A 17 28.761 8.061 -15.731 1.00 0.00 N ATOM 257 CA SER A 17 29.780 9.031 -15.382 1.00 0.00 C ATOM 258 C SER A 17 29.424 9.699 -14.061 1.00 0.00 C ATOM 259 O SER A 17 28.249 9.866 -13.742 1.00 0.00 O ATOM 260 CB SER A 17 29.899 10.066 -16.497 1.00 0.00 C ATOM 261 OG SER A 17 30.631 9.518 -17.570 1.00 0.00 O ATOM 0 H SER A 17 27.875 8.470 -16.027 1.00 0.00 H new ATOM 0 HA SER A 17 30.741 8.530 -15.266 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.908 10.367 -16.835 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.395 10.962 -16.124 1.00 0.00 H new ATOM 0 HG SER A 17 30.706 10.182 -18.287 1.00 0.00 H new ATOM 267 N ASN A 18 30.447 10.082 -13.292 1.00 0.00 N ATOM 268 CA ASN A 18 30.238 10.730 -12.013 1.00 0.00 C ATOM 269 C ASN A 18 29.549 12.072 -12.217 1.00 0.00 C ATOM 270 O ASN A 18 30.164 13.122 -12.043 1.00 0.00 O ATOM 271 CB ASN A 18 31.582 10.913 -11.312 1.00 0.00 C ATOM 272 CG ASN A 18 31.457 11.881 -10.144 1.00 0.00 C ATOM 273 OD1 ASN A 18 30.997 11.503 -9.069 1.00 0.00 O ATOM 274 ND2 ASN A 18 31.870 13.132 -10.357 1.00 0.00 N ATOM 0 H ASN A 18 31.427 9.950 -13.542 1.00 0.00 H new ATOM 0 HA ASN A 18 29.597 10.109 -11.388 1.00 0.00 H new ATOM 0 HB2 ASN A 18 31.944 9.949 -10.954 1.00 0.00 H new ATOM 0 HB3 ASN A 18 32.319 11.287 -12.022 1.00 0.00 H new ATOM 0 HD21 ASN A 18 31.811 13.823 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.245 13.397 -11.268 1.00 0.00 H new ATOM 281 N GLN A 19 28.267 12.034 -12.588 1.00 0.00 N ATOM 282 CA GLN A 19 27.501 13.244 -12.815 1.00 0.00 C ATOM 283 C GLN A 19 26.369 13.335 -11.802 1.00 0.00 C ATOM 284 O GLN A 19 26.058 12.359 -11.124 1.00 0.00 O ATOM 285 CB GLN A 19 26.954 13.237 -14.239 1.00 0.00 C ATOM 286 CG GLN A 19 26.041 14.443 -14.439 1.00 0.00 C ATOM 287 CD GLN A 19 26.782 15.739 -14.147 1.00 0.00 C ATOM 288 OE1 GLN A 19 26.543 16.376 -13.124 1.00 0.00 O ATOM 289 NE2 GLN A 19 27.685 16.130 -15.050 1.00 0.00 N ATOM 0 H GLN A 19 27.743 11.171 -12.736 1.00 0.00 H new ATOM 0 HA GLN A 19 28.143 14.116 -12.691 1.00 0.00 H new ATOM 0 HB2 GLN A 19 27.775 13.266 -14.955 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.402 12.315 -14.424 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.668 14.456 -15.463 1.00 0.00 H new ATOM 0 HG3 GLN A 19 25.173 14.360 -13.784 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.849 15.567 -15.885 1.00 0.00 H new ATOM 0 HE22 GLN A 19 28.211 16.992 -14.905 1.00 0.00 H new ATOM 298 N ASP A 20 25.753 14.515 -11.701 1.00 0.00 N ATOM 299 CA ASP A 20 24.660 14.729 -10.773 1.00 0.00 C ATOM 300 C ASP A 20 23.816 13.466 -10.671 1.00 0.00 C ATOM 301 O ASP A 20 23.700 12.881 -9.597 1.00 0.00 O ATOM 302 CB ASP A 20 23.815 15.908 -11.247 1.00 0.00 C ATOM 303 CG ASP A 20 24.102 17.152 -10.418 1.00 0.00 C ATOM 304 OD1 ASP A 20 25.291 17.534 -10.364 1.00 0.00 O ATOM 305 OD2 ASP A 20 23.128 17.696 -9.855 1.00 0.00 O ATOM 0 H ASP A 20 26.000 15.334 -12.256 1.00 0.00 H new ATOM 0 HA ASP A 20 25.056 14.958 -9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 20 24.023 16.110 -12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 20 22.757 15.654 -11.175 1.00 0.00 H new ATOM 310 N GLN A 21 23.226 13.048 -11.793 1.00 0.00 N ATOM 311 CA GLN A 21 22.397 11.859 -11.823 1.00 0.00 C ATOM 312 C GLN A 21 23.004 10.830 -12.766 1.00 0.00 C ATOM 313 O GLN A 21 23.466 11.175 -13.851 1.00 0.00 O ATOM 314 CB GLN A 21 20.987 12.237 -12.268 1.00 0.00 C ATOM 315 CG GLN A 21 21.060 13.367 -13.290 1.00 0.00 C ATOM 316 CD GLN A 21 19.862 13.330 -14.227 1.00 0.00 C ATOM 317 OE1 GLN A 21 19.517 12.275 -14.755 1.00 0.00 O ATOM 318 NE2 GLN A 21 19.228 14.487 -14.435 1.00 0.00 N ATOM 0 H GLN A 21 23.312 13.523 -12.692 1.00 0.00 H new ATOM 0 HA GLN A 21 22.345 11.421 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.487 11.371 -12.703 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.394 12.548 -11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 21 21.094 14.327 -12.775 1.00 0.00 H new ATOM 0 HG3 GLN A 21 21.981 13.282 -13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 21 19.553 15.337 -13.973 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.419 14.521 -15.055 1.00 0.00 H new ATOM 327 N CYS A 22 22.999 9.561 -12.349 1.00 0.00 N ATOM 328 CA CYS A 22 23.545 8.489 -13.155 1.00 0.00 C ATOM 329 C CYS A 22 22.639 7.269 -13.071 1.00 0.00 C ATOM 330 O CYS A 22 21.788 7.183 -12.189 1.00 0.00 O ATOM 331 CB CYS A 22 24.952 8.153 -12.667 1.00 0.00 C ATOM 332 SG CYS A 22 26.176 8.012 -13.992 1.00 0.00 S ATOM 0 H CYS A 22 22.619 9.260 -11.452 1.00 0.00 H new ATOM 0 HA CYS A 22 23.602 8.804 -14.197 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.276 8.923 -11.967 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.919 7.214 -12.115 1.00 0.00 H new ATOM 337 N THR A 23 22.823 6.323 -13.995 1.00 0.00 N ATOM 338 CA THR A 23 22.022 5.115 -14.018 1.00 0.00 C ATOM 339 C THR A 23 22.894 3.908 -13.705 1.00 0.00 C ATOM 340 O THR A 23 24.087 3.906 -14.000 1.00 0.00 O ATOM 341 CB THR A 23 21.365 4.967 -15.387 1.00 0.00 C ATOM 342 OG1 THR A 23 20.595 6.115 -15.665 1.00 0.00 O ATOM 343 CG2 THR A 23 20.464 3.737 -15.389 1.00 0.00 C ATOM 0 H THR A 23 23.523 6.378 -14.735 1.00 0.00 H new ATOM 0 HA THR A 23 21.242 5.179 -13.259 1.00 0.00 H new ATOM 0 HB THR A 23 22.136 4.853 -16.149 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.174 6.021 -16.545 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.995 3.631 -16.367 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.059 2.850 -15.174 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.693 3.850 -14.627 1.00 0.00 H new ATOM 351 N SER A 24 22.294 2.878 -13.105 1.00 0.00 N ATOM 352 CA SER A 24 23.015 1.671 -12.756 1.00 0.00 C ATOM 353 C SER A 24 23.117 0.761 -13.973 1.00 0.00 C ATOM 354 O SER A 24 24.003 -0.089 -14.043 1.00 0.00 O ATOM 355 CB SER A 24 22.296 0.963 -11.611 1.00 0.00 C ATOM 356 OG SER A 24 21.047 0.489 -12.061 1.00 0.00 O ATOM 0 H SER A 24 21.306 2.864 -12.853 1.00 0.00 H new ATOM 0 HA SER A 24 24.024 1.926 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 24 22.901 0.134 -11.245 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.157 1.649 -10.775 1.00 0.00 H new ATOM 0 HG SER A 24 20.776 0.988 -12.860 1.00 0.00 H new ATOM 362 N ASN A 25 22.209 0.944 -14.934 1.00 0.00 N ATOM 363 CA ASN A 25 22.203 0.141 -16.141 1.00 0.00 C ATOM 364 C ASN A 25 21.722 -1.268 -15.825 1.00 0.00 C ATOM 365 O ASN A 25 21.458 -2.055 -16.731 1.00 0.00 O ATOM 366 CB ASN A 25 23.608 0.111 -16.736 1.00 0.00 C ATOM 367 CG ASN A 25 23.567 -0.289 -18.203 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.799 -1.449 -18.539 1.00 0.00 O ATOM 369 ND2 ASN A 25 23.271 0.675 -19.079 1.00 0.00 N ATOM 0 H ASN A 25 21.470 1.645 -14.892 1.00 0.00 H new ATOM 0 HA ASN A 25 21.521 0.580 -16.869 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.071 1.093 -16.635 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.228 -0.592 -16.180 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.230 0.463 -20.076 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.086 1.623 -18.751 1.00 0.00 H new ATOM 376 N CYS A 26 21.606 -1.584 -14.533 1.00 0.00 N ATOM 377 CA CYS A 26 21.157 -2.891 -14.101 1.00 0.00 C ATOM 378 C CYS A 26 19.647 -2.996 -14.264 1.00 0.00 C ATOM 379 O CYS A 26 18.964 -1.985 -14.403 1.00 0.00 O ATOM 380 CB CYS A 26 21.562 -3.114 -12.647 1.00 0.00 C ATOM 381 SG CYS A 26 23.351 -3.191 -12.385 1.00 0.00 S ATOM 0 H CYS A 26 21.821 -0.941 -13.770 1.00 0.00 H new ATOM 0 HA CYS A 26 21.624 -3.662 -14.715 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.150 -2.309 -12.038 1.00 0.00 H new ATOM 0 HB3 CYS A 26 21.113 -4.042 -12.294 1.00 0.00 H new ATOM 386 N ASN A 27 19.128 -4.227 -14.247 1.00 0.00 N ATOM 387 CA ASN A 27 17.704 -4.455 -14.392 1.00 0.00 C ATOM 388 C ASN A 27 17.294 -5.689 -13.600 1.00 0.00 C ATOM 389 O ASN A 27 16.918 -6.707 -14.179 1.00 0.00 O ATOM 390 CB ASN A 27 17.366 -4.625 -15.869 1.00 0.00 C ATOM 391 CG ASN A 27 18.282 -5.650 -16.523 1.00 0.00 C ATOM 392 OD1 ASN A 27 17.996 -6.845 -16.499 1.00 0.00 O ATOM 393 ND2 ASN A 27 19.385 -5.179 -17.109 1.00 0.00 N ATOM 0 H ASN A 27 19.681 -5.076 -14.134 1.00 0.00 H new ATOM 0 HA ASN A 27 17.154 -3.599 -14.002 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.328 -4.940 -15.974 1.00 0.00 H new ATOM 0 HB3 ASN A 27 17.462 -3.667 -16.380 1.00 0.00 H new ATOM 0 HD21 ASN A 27 20.035 -5.821 -17.564 1.00 0.00 H new ATOM 0 HD22 ASN A 27 19.578 -4.177 -17.102 1.00 0.00 H new ATOM 400 N ILE A 28 17.366 -5.596 -12.269 1.00 0.00 N ATOM 401 CA ILE A 28 17.002 -6.698 -11.403 1.00 0.00 C ATOM 402 C ILE A 28 16.083 -6.201 -10.296 1.00 0.00 C ATOM 403 O ILE A 28 16.197 -5.059 -9.858 1.00 0.00 O ATOM 404 CB ILE A 28 18.265 -7.324 -10.818 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.953 -8.173 -11.884 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.892 -8.204 -9.628 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.303 -8.652 -11.359 1.00 0.00 C ATOM 0 H ILE A 28 17.676 -4.759 -11.775 1.00 0.00 H new ATOM 0 HA ILE A 28 16.470 -7.457 -11.977 1.00 0.00 H new ATOM 0 HB ILE A 28 18.942 -6.536 -10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.328 -9.027 -12.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.091 -7.591 -12.795 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.794 -8.651 -9.210 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.401 -7.598 -8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 28 17.215 -8.992 -9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.795 -9.258 -12.120 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.927 -7.791 -11.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 20.152 -9.250 -10.460 1.00 0.00 H new ATOM 419 N THR A 29 15.169 -7.063 -9.843 1.00 0.00 N ATOM 420 CA THR A 29 14.240 -6.704 -8.792 1.00 0.00 C ATOM 421 C THR A 29 14.374 -7.675 -7.627 1.00 0.00 C ATOM 422 O THR A 29 13.878 -8.797 -7.688 1.00 0.00 O ATOM 423 CB THR A 29 12.818 -6.718 -9.344 1.00 0.00 C ATOM 424 OG1 THR A 29 12.821 -6.216 -10.662 1.00 0.00 O ATOM 425 CG2 THR A 29 11.923 -5.844 -8.470 1.00 0.00 C ATOM 0 H THR A 29 15.060 -8.014 -10.195 1.00 0.00 H new ATOM 0 HA THR A 29 14.467 -5.701 -8.431 1.00 0.00 H new ATOM 0 HB THR A 29 12.439 -7.740 -9.344 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.908 -6.226 -11.018 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.907 -5.854 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.920 -6.231 -7.451 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.302 -4.822 -8.469 1.00 0.00 H new ATOM 433 N SER A 30 15.049 -7.237 -6.562 1.00 0.00 N ATOM 434 CA SER A 30 15.245 -8.065 -5.389 1.00 0.00 C ATOM 435 C SER A 30 14.298 -7.626 -4.282 1.00 0.00 C ATOM 436 O SER A 30 14.187 -6.436 -3.991 1.00 0.00 O ATOM 437 CB SER A 30 16.697 -7.961 -4.931 1.00 0.00 C ATOM 438 OG SER A 30 17.008 -6.614 -4.657 1.00 0.00 O ATOM 0 H SER A 30 15.467 -6.309 -6.496 1.00 0.00 H new ATOM 0 HA SER A 30 15.028 -9.105 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.853 -8.570 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.362 -8.349 -5.703 1.00 0.00 H new ATOM 0 HG SER A 30 17.023 -6.105 -5.494 1.00 0.00 H new ATOM 444 N ILE A 31 13.613 -8.591 -3.662 1.00 0.00 N ATOM 445 CA ILE A 31 12.682 -8.304 -2.590 1.00 0.00 C ATOM 446 C ILE A 31 13.437 -8.164 -1.276 1.00 0.00 C ATOM 447 O ILE A 31 14.326 -8.960 -0.981 1.00 0.00 O ATOM 448 CB ILE A 31 11.646 -9.421 -2.503 1.00 0.00 C ATOM 449 CG1 ILE A 31 12.283 -10.740 -2.930 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.474 -9.100 -3.427 1.00 0.00 C ATOM 451 CD1 ILE A 31 13.231 -11.224 -1.837 1.00 0.00 C ATOM 0 H ILE A 31 13.693 -9.581 -3.893 1.00 0.00 H new ATOM 0 HA ILE A 31 12.167 -7.365 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 31 11.288 -9.506 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.510 -11.487 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.827 -10.608 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.733 -9.897 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.019 -8.157 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.832 -9.016 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.686 -12.166 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.011 -10.480 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 31 12.674 -11.372 -0.912 1.00 0.00 H new ATOM 463 N CYS A 32 13.082 -7.149 -0.485 1.00 0.00 N ATOM 464 CA CYS A 32 13.725 -6.910 0.791 1.00 0.00 C ATOM 465 C CYS A 32 12.725 -6.308 1.768 1.00 0.00 C ATOM 466 O CYS A 32 13.045 -5.361 2.482 1.00 0.00 O ATOM 467 CB CYS A 32 14.917 -5.978 0.592 1.00 0.00 C ATOM 468 SG CYS A 32 16.149 -6.598 -0.578 1.00 0.00 S ATOM 0 H CYS A 32 12.347 -6.480 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 32 14.083 -7.853 1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 32 14.555 -5.011 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 32 15.398 -5.810 1.555 1.00 0.00 H new ATOM 538 N GLU A 37 15.616 -3.876 5.287 1.00 0.00 N ATOM 539 CA GLU A 37 16.561 -3.824 4.188 1.00 0.00 C ATOM 540 C GLU A 37 16.225 -2.657 3.269 1.00 0.00 C ATOM 541 O GLU A 37 15.124 -2.116 3.325 1.00 0.00 O ATOM 542 CB GLU A 37 16.519 -5.144 3.423 1.00 0.00 C ATOM 543 CG GLU A 37 17.419 -6.163 4.117 1.00 0.00 C ATOM 544 CD GLU A 37 16.738 -7.522 4.197 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.244 -7.973 3.141 1.00 0.00 O ATOM 546 OE2 GLU A 37 16.724 -8.084 5.314 1.00 0.00 O ATOM 0 HA GLU A 37 17.568 -3.673 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.496 -5.518 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.849 -4.992 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.359 -6.254 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.664 -5.815 5.120 1.00 0.00 H new ATOM 553 N VAL A 38 17.181 -2.272 2.422 1.00 0.00 N ATOM 554 CA VAL A 38 16.986 -1.174 1.497 1.00 0.00 C ATOM 555 C VAL A 38 17.810 -1.409 0.238 1.00 0.00 C ATOM 556 O VAL A 38 18.667 -2.290 0.210 1.00 0.00 O ATOM 557 CB VAL A 38 17.387 0.135 2.169 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.521 0.359 3.405 1.00 0.00 C ATOM 559 CG2 VAL A 38 18.855 0.065 2.583 1.00 0.00 C ATOM 0 H VAL A 38 18.099 -2.712 2.364 1.00 0.00 H new ATOM 0 HA VAL A 38 15.935 -1.114 1.214 1.00 0.00 H new ATOM 0 HB VAL A 38 17.244 0.960 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.808 1.295 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.473 0.408 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.663 -0.466 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.143 1.000 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.997 -0.760 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.475 -0.095 1.701 1.00 0.00 H new ATOM 569 N CYS A 39 17.549 -0.617 -0.804 1.00 0.00 N ATOM 570 CA CYS A 39 18.265 -0.742 -2.058 1.00 0.00 C ATOM 571 C CYS A 39 19.470 0.189 -2.057 1.00 0.00 C ATOM 572 O CYS A 39 19.328 1.391 -1.851 1.00 0.00 O ATOM 573 CB CYS A 39 17.327 -0.410 -3.215 1.00 0.00 C ATOM 574 SG CYS A 39 15.574 -0.648 -2.830 1.00 0.00 S ATOM 0 H CYS A 39 16.842 0.118 -0.795 1.00 0.00 H new ATOM 0 HA CYS A 39 18.620 -1.766 -2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.486 0.626 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.588 -1.031 -4.072 1.00 0.00 H new ATOM 579 N ALA A 40 20.660 -0.372 -2.287 1.00 0.00 N ATOM 580 CA ALA A 40 21.881 0.408 -2.310 1.00 0.00 C ATOM 581 C ALA A 40 22.764 -0.052 -3.461 1.00 0.00 C ATOM 582 O ALA A 40 22.923 -1.251 -3.685 1.00 0.00 O ATOM 583 CB ALA A 40 22.607 0.253 -0.976 1.00 0.00 C ATOM 0 H ALA A 40 20.795 -1.368 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 40 21.643 1.461 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.526 0.839 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.965 0.606 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 40 22.849 -0.797 -0.814 1.00 0.00 H new ATOM 589 N ALA A 41 23.340 0.904 -4.193 1.00 0.00 N ATOM 590 CA ALA A 41 24.201 0.595 -5.315 1.00 0.00 C ATOM 591 C ALA A 41 25.494 1.393 -5.210 1.00 0.00 C ATOM 592 O ALA A 41 25.465 2.591 -4.938 1.00 0.00 O ATOM 593 CB ALA A 41 23.473 0.915 -6.618 1.00 0.00 C ATOM 0 H ALA A 41 23.219 1.902 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 41 24.451 -0.466 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.121 0.683 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.564 0.318 -6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.214 1.974 -6.640 1.00 0.00 H new ATOM 599 N VAL A 42 26.629 0.724 -5.425 1.00 0.00 N ATOM 600 CA VAL A 42 27.924 1.371 -5.352 1.00 0.00 C ATOM 601 C VAL A 42 28.579 1.364 -6.726 1.00 0.00 C ATOM 602 O VAL A 42 28.864 0.303 -7.276 1.00 0.00 O ATOM 603 CB VAL A 42 28.796 0.647 -4.332 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.470 -0.844 -4.349 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.267 0.850 -4.687 1.00 0.00 C ATOM 0 H VAL A 42 26.668 -0.270 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 42 27.802 2.407 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 42 28.602 1.049 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.094 -1.361 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.420 -0.990 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.664 -1.247 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.892 0.333 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.460 0.448 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.501 1.915 -4.675 1.00 0.00 H new ATOM 615 N TRP A 43 28.820 2.555 -7.279 1.00 0.00 N ATOM 616 CA TRP A 43 29.443 2.676 -8.582 1.00 0.00 C ATOM 617 C TRP A 43 30.901 3.082 -8.424 1.00 0.00 C ATOM 618 O TRP A 43 31.202 4.108 -7.819 1.00 0.00 O ATOM 619 CB TRP A 43 28.682 3.705 -9.414 1.00 0.00 C ATOM 620 CG TRP A 43 29.381 4.149 -10.659 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.147 3.667 -11.899 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.427 5.156 -10.814 1.00 0.00 C ATOM 623 NE1 TRP A 43 29.971 4.301 -12.805 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.783 5.231 -12.187 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.111 6.013 -9.934 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.762 6.107 -12.663 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.096 6.896 -10.400 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.424 6.945 -11.761 1.00 0.00 C ATOM 0 H TRP A 43 28.590 3.445 -6.837 1.00 0.00 H new ATOM 0 HA TRP A 43 29.410 1.715 -9.095 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.714 3.285 -9.688 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.486 4.579 -8.793 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.425 2.902 -12.144 1.00 0.00 H new ATOM 0 HE1 TRP A 43 29.980 4.107 -13.806 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.874 5.991 -8.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.004 6.136 -13.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.606 7.544 -9.703 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.185 7.627 -12.112 1.00 0.00 H new ATOM 639 N ARG A 44 31.808 2.271 -8.973 1.00 0.00 N ATOM 640 CA ARG A 44 33.228 2.546 -8.891 1.00 0.00 C ATOM 641 C ARG A 44 33.786 2.802 -10.284 1.00 0.00 C ATOM 642 O ARG A 44 33.244 2.310 -11.271 1.00 0.00 O ATOM 643 CB ARG A 44 33.937 1.364 -8.235 1.00 0.00 C ATOM 644 CG ARG A 44 32.954 0.614 -7.340 1.00 0.00 C ATOM 645 CD ARG A 44 32.394 -0.588 -8.096 1.00 0.00 C ATOM 646 NE ARG A 44 33.002 -1.833 -7.626 1.00 0.00 N ATOM 647 CZ ARG A 44 32.308 -2.781 -6.982 1.00 0.00 C ATOM 648 NH1 ARG A 44 31.001 -2.610 -6.743 1.00 0.00 N ATOM 649 NH2 ARG A 44 32.923 -3.901 -6.575 1.00 0.00 N ATOM 0 H ARG A 44 31.574 1.417 -9.479 1.00 0.00 H new ATOM 0 HA ARG A 44 33.395 3.436 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.334 0.695 -8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.785 1.715 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 44 33.454 0.284 -6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.143 1.276 -7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.313 -0.634 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.579 -0.469 -9.164 1.00 0.00 H new ATOM 0 HE ARG A 44 33.996 -1.986 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.533 -1.758 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 30.473 -3.332 -6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.918 -4.031 -6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 44 32.395 -4.623 -6.085 1.00 0.00 H new ATOM 663 N ARG A 45 34.872 3.575 -10.361 1.00 0.00 N ATOM 664 CA ARG A 45 35.495 3.893 -11.630 1.00 0.00 C ATOM 665 C ARG A 45 37.008 3.900 -11.473 1.00 0.00 C ATOM 666 O ARG A 45 37.568 4.807 -10.860 1.00 0.00 O ATOM 667 CB ARG A 45 34.995 5.251 -12.114 1.00 0.00 C ATOM 668 CG ARG A 45 35.419 6.332 -11.123 1.00 0.00 C ATOM 669 CD ARG A 45 36.576 7.135 -11.709 1.00 0.00 C ATOM 670 NE ARG A 45 36.282 8.568 -11.693 1.00 0.00 N ATOM 671 CZ ARG A 45 36.568 9.380 -12.719 1.00 0.00 C ATOM 672 NH1 ARG A 45 37.147 8.886 -13.822 1.00 0.00 N ATOM 673 NH2 ARG A 45 36.275 10.685 -12.644 1.00 0.00 N ATOM 0 H ARG A 45 35.333 3.989 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 45 35.230 3.138 -12.370 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.401 5.469 -13.102 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.909 5.237 -12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.578 6.991 -10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.719 5.877 -10.179 1.00 0.00 H new ATOM 0 HD2 ARG A 45 37.484 6.940 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 45 36.767 6.811 -12.732 1.00 0.00 H new ATOM 0 HE ARG A 45 35.840 8.966 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 45 37.370 7.892 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 45 37.365 9.504 -14.604 1.00 0.00 H new ATOM 0 HH21 ARG A 45 35.834 11.061 -11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 45 36.493 11.302 -13.426 1.00 0.00 H new ATOM 687 N ASN A 46 37.672 2.884 -12.029 1.00 0.00 N ATOM 688 CA ASN A 46 39.116 2.780 -11.949 1.00 0.00 C ATOM 689 C ASN A 46 39.730 3.002 -13.324 1.00 0.00 C ATOM 690 O ASN A 46 39.323 2.374 -14.298 1.00 0.00 O ATOM 691 CB ASN A 46 39.495 1.407 -11.402 1.00 0.00 C ATOM 692 CG ASN A 46 38.801 0.301 -12.184 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.265 -0.093 -13.252 1.00 0.00 O ATOM 694 ND2 ASN A 46 37.687 -0.204 -11.648 1.00 0.00 N ATOM 0 H ASN A 46 37.223 2.123 -12.539 1.00 0.00 H new ATOM 0 HA ASN A 46 39.502 3.545 -11.276 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.575 1.274 -11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.220 1.342 -10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.183 -0.950 -12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.340 0.156 -10.759 1.00 0.00 H new ATOM 701 N ASP A 47 40.715 3.900 -13.398 1.00 0.00 N ATOM 702 CA ASP A 47 41.380 4.202 -14.650 1.00 0.00 C ATOM 703 C ASP A 47 40.351 4.312 -15.766 1.00 0.00 C ATOM 704 O ASP A 47 39.710 5.349 -15.921 1.00 0.00 O ATOM 705 CB ASP A 47 42.398 3.109 -14.960 1.00 0.00 C ATOM 706 CG ASP A 47 43.563 3.158 -13.982 1.00 0.00 C ATOM 707 OD1 ASP A 47 44.150 4.254 -13.853 1.00 0.00 O ATOM 708 OD2 ASP A 47 43.845 2.099 -13.380 1.00 0.00 O ATOM 0 H ASP A 47 41.065 4.428 -12.598 1.00 0.00 H new ATOM 0 HA ASP A 47 41.903 5.155 -14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 47 41.916 2.133 -14.909 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.768 3.229 -15.978 1.00 0.00 H new ATOM 713 N GLU A 48 40.194 3.239 -16.545 1.00 0.00 N ATOM 714 CA GLU A 48 39.244 3.224 -17.640 1.00 0.00 C ATOM 715 C GLU A 48 38.276 2.062 -17.470 1.00 0.00 C ATOM 716 O GLU A 48 37.628 1.645 -18.428 1.00 0.00 O ATOM 717 CB GLU A 48 39.996 3.114 -18.962 1.00 0.00 C ATOM 718 CG GLU A 48 40.673 1.750 -19.050 1.00 0.00 C ATOM 719 CD GLU A 48 40.899 1.348 -20.501 1.00 0.00 C ATOM 720 OE1 GLU A 48 41.868 1.871 -21.091 1.00 0.00 O ATOM 721 OE2 GLU A 48 40.096 0.526 -20.993 1.00 0.00 O ATOM 0 H GLU A 48 40.718 2.371 -16.431 1.00 0.00 H new ATOM 0 HA GLU A 48 38.669 4.150 -17.640 1.00 0.00 H new ATOM 0 HB2 GLU A 48 39.307 3.244 -19.796 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.740 3.907 -19.036 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.627 1.778 -18.524 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.057 1.001 -18.553 1.00 0.00 H new ATOM 728 N ASN A 49 38.179 1.539 -16.247 1.00 0.00 N ATOM 729 CA ASN A 49 37.292 0.430 -15.958 1.00 0.00 C ATOM 730 C ASN A 49 36.319 0.817 -14.853 1.00 0.00 C ATOM 731 O ASN A 49 36.657 0.754 -13.674 1.00 0.00 O ATOM 732 CB ASN A 49 38.117 -0.788 -15.551 1.00 0.00 C ATOM 733 CG ASN A 49 37.992 -1.899 -16.582 1.00 0.00 C ATOM 734 OD1 ASN A 49 36.888 -2.351 -16.880 1.00 0.00 O ATOM 735 ND2 ASN A 49 39.127 -2.338 -17.130 1.00 0.00 N ATOM 0 H ASN A 49 38.710 1.873 -15.443 1.00 0.00 H new ATOM 0 HA ASN A 49 36.715 0.181 -16.849 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.164 -0.503 -15.443 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.783 -1.150 -14.579 1.00 0.00 H new ATOM 0 HD21 ASN A 49 39.102 -3.080 -17.829 1.00 0.00 H new ATOM 0 HD22 ASN A 49 40.019 -1.931 -16.850 1.00 0.00 H new ATOM 742 N VAL A 50 35.106 1.218 -15.241 1.00 0.00 N ATOM 743 CA VAL A 50 34.090 1.613 -14.285 1.00 0.00 C ATOM 744 C VAL A 50 33.093 0.479 -14.097 1.00 0.00 C ATOM 745 O VAL A 50 32.501 0.003 -15.063 1.00 0.00 O ATOM 746 CB VAL A 50 33.389 2.874 -14.781 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.372 3.334 -13.741 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.422 3.976 -15.005 1.00 0.00 C ATOM 0 H VAL A 50 34.811 1.275 -16.216 1.00 0.00 H new ATOM 0 HA VAL A 50 34.553 1.827 -13.322 1.00 0.00 H new ATOM 0 HB VAL A 50 32.877 2.660 -15.719 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.871 4.235 -14.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.634 2.548 -13.581 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.883 3.548 -12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.922 4.877 -15.359 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.934 4.190 -14.067 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.148 3.648 -15.749 1.00 0.00 H new ATOM 758 N THR A 51 32.905 0.047 -12.848 1.00 0.00 N ATOM 759 CA THR A 51 31.980 -1.025 -12.545 1.00 0.00 C ATOM 760 C THR A 51 30.925 -0.537 -11.562 1.00 0.00 C ATOM 761 O THR A 51 31.226 0.232 -10.653 1.00 0.00 O ATOM 762 CB THR A 51 32.748 -2.211 -11.968 1.00 0.00 C ATOM 763 OG1 THR A 51 32.717 -2.151 -10.559 1.00 0.00 O ATOM 764 CG2 THR A 51 34.196 -2.159 -12.445 1.00 0.00 C ATOM 0 H THR A 51 33.387 0.430 -12.035 1.00 0.00 H new ATOM 0 HA THR A 51 31.477 -1.343 -13.458 1.00 0.00 H new ATOM 0 HB THR A 51 32.287 -3.140 -12.303 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.336 -2.815 -10.190 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.745 -3.006 -12.033 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.222 -2.204 -13.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.657 -1.230 -12.109 1.00 0.00 H new ATOM 772 N LEU A 52 29.682 -0.989 -11.749 1.00 0.00 N ATOM 773 CA LEU A 52 28.588 -0.600 -10.881 1.00 0.00 C ATOM 774 C LEU A 52 27.947 -1.838 -10.271 1.00 0.00 C ATOM 775 O LEU A 52 27.667 -2.807 -10.974 1.00 0.00 O ATOM 776 CB LEU A 52 27.565 0.199 -11.684 1.00 0.00 C ATOM 777 CG LEU A 52 26.725 1.048 -10.733 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.154 2.244 -11.489 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.583 0.206 -10.173 1.00 0.00 C ATOM 0 H LEU A 52 29.416 -1.627 -12.499 1.00 0.00 H new ATOM 0 HA LEU A 52 28.965 0.025 -10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.072 0.837 -12.407 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.923 -0.476 -12.250 1.00 0.00 H new ATOM 0 HG LEU A 52 27.350 1.402 -9.913 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.554 2.851 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.971 2.846 -11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.529 1.891 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.983 0.812 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.957 -0.149 -10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.992 -0.648 -9.632 1.00 0.00 H new ATOM 791 N GLU A 53 27.715 -1.804 -8.957 1.00 0.00 N ATOM 792 CA GLU A 53 27.107 -2.922 -8.261 1.00 0.00 C ATOM 793 C GLU A 53 25.837 -2.466 -7.557 1.00 0.00 C ATOM 794 O GLU A 53 25.789 -1.373 -6.997 1.00 0.00 O ATOM 795 CB GLU A 53 28.104 -3.497 -7.260 1.00 0.00 C ATOM 796 CG GLU A 53 27.843 -4.990 -7.083 1.00 0.00 C ATOM 797 CD GLU A 53 26.900 -5.242 -5.915 1.00 0.00 C ATOM 798 OE1 GLU A 53 26.984 -4.464 -4.941 1.00 0.00 O ATOM 799 OE2 GLU A 53 26.114 -6.209 -6.017 1.00 0.00 O ATOM 0 H GLU A 53 27.942 -1.009 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 53 26.840 -3.699 -8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.123 -3.334 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.011 -2.985 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 53 27.413 -5.399 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.786 -5.510 -6.913 1.00 0.00 H new ATOM 806 N THR A 54 24.803 -3.311 -7.586 1.00 0.00 N ATOM 807 CA THR A 54 23.541 -2.991 -6.950 1.00 0.00 C ATOM 808 C THR A 54 23.057 -4.181 -6.134 1.00 0.00 C ATOM 809 O THR A 54 23.070 -5.313 -6.609 1.00 0.00 O ATOM 810 CB THR A 54 22.516 -2.615 -8.016 1.00 0.00 C ATOM 811 OG1 THR A 54 22.528 -3.582 -9.042 1.00 0.00 O ATOM 812 CG2 THR A 54 22.869 -1.249 -8.601 1.00 0.00 C ATOM 0 H THR A 54 24.824 -4.221 -8.046 1.00 0.00 H new ATOM 0 HA THR A 54 23.674 -2.144 -6.277 1.00 0.00 H new ATOM 0 HB THR A 54 21.524 -2.574 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.200 -3.339 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.137 -0.979 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.860 -0.501 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.861 -1.291 -9.050 1.00 0.00 H new ATOM 820 N ILE A 55 22.625 -3.918 -4.897 1.00 0.00 N ATOM 821 CA ILE A 55 22.136 -4.962 -4.018 1.00 0.00 C ATOM 822 C ILE A 55 21.540 -4.341 -2.763 1.00 0.00 C ATOM 823 O ILE A 55 21.677 -3.141 -2.538 1.00 0.00 O ATOM 824 CB ILE A 55 23.282 -5.906 -3.664 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.606 -5.154 -3.749 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.298 -7.076 -4.643 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.521 -3.876 -2.919 1.00 0.00 C ATOM 0 H ILE A 55 22.608 -2.984 -4.489 1.00 0.00 H new ATOM 0 HA ILE A 55 21.356 -5.533 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 55 23.143 -6.282 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.418 -5.783 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.832 -4.911 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.116 -7.750 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.352 -7.614 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.437 -6.700 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.468 -3.339 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.720 -3.245 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.315 -4.130 -1.879 1.00 0.00 H new ATOM 839 N CYS A 56 20.877 -5.162 -1.945 1.00 0.00 N ATOM 840 CA CYS A 56 20.265 -4.691 -0.719 1.00 0.00 C ATOM 841 C CYS A 56 21.303 -4.655 0.394 1.00 0.00 C ATOM 842 O CYS A 56 21.495 -5.642 1.099 1.00 0.00 O ATOM 843 CB CYS A 56 19.103 -5.607 -0.347 1.00 0.00 C ATOM 844 SG CYS A 56 17.485 -4.996 -0.878 1.00 0.00 S ATOM 0 H CYS A 56 20.755 -6.160 -2.119 1.00 0.00 H new ATOM 0 HA CYS A 56 19.881 -3.681 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.272 -6.589 -0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.092 -5.742 0.735 1.00 0.00 H new ATOM 849 N HIS A 57 21.973 -3.511 0.551 1.00 0.00 N ATOM 850 CA HIS A 57 22.987 -3.357 1.575 1.00 0.00 C ATOM 851 C HIS A 57 22.447 -2.506 2.716 1.00 0.00 C ATOM 852 O HIS A 57 21.600 -1.642 2.505 1.00 0.00 O ATOM 853 CB HIS A 57 24.230 -2.715 0.965 1.00 0.00 C ATOM 854 CG HIS A 57 25.209 -2.243 2.005 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.179 -3.007 2.613 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.294 -0.977 2.516 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.834 -2.209 3.475 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.333 -0.963 3.452 1.00 0.00 N ATOM 0 H HIS A 57 21.825 -2.681 -0.023 1.00 0.00 H new ATOM 0 HA HIS A 57 23.256 -4.335 1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.721 -3.434 0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.930 -1.871 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.670 -0.138 2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.654 -2.528 4.102 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.647 -0.166 4.006 1.00 0.00 H new ATOM 866 N ASP A 58 22.941 -2.755 3.932 1.00 0.00 N ATOM 867 CA ASP A 58 22.508 -2.015 5.100 1.00 0.00 C ATOM 868 C ASP A 58 23.367 -0.771 5.269 1.00 0.00 C ATOM 869 O ASP A 58 24.591 -0.845 5.197 1.00 0.00 O ATOM 870 CB ASP A 58 22.603 -2.911 6.331 1.00 0.00 C ATOM 871 CG ASP A 58 21.266 -3.577 6.624 1.00 0.00 C ATOM 872 OD1 ASP A 58 20.456 -2.937 7.329 1.00 0.00 O ATOM 873 OD2 ASP A 58 21.081 -4.713 6.138 1.00 0.00 O ATOM 0 H ASP A 58 23.644 -3.469 4.124 1.00 0.00 H new ATOM 0 HA ASP A 58 21.472 -1.701 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.366 -3.673 6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.916 -2.320 7.192 1.00 0.00 H new ATOM 878 N PRO A 59 22.722 0.377 5.493 1.00 0.00 N ATOM 879 CA PRO A 59 23.373 1.656 5.679 1.00 0.00 C ATOM 880 C PRO A 59 24.053 1.688 7.042 1.00 0.00 C ATOM 881 O PRO A 59 24.399 2.758 7.538 1.00 0.00 O ATOM 882 CB PRO A 59 22.246 2.683 5.605 1.00 0.00 C ATOM 883 CG PRO A 59 21.043 1.904 6.134 1.00 0.00 C ATOM 884 CD PRO A 59 21.283 0.500 5.583 1.00 0.00 C ATOM 0 HA PRO A 59 24.143 1.853 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.459 3.561 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.084 3.034 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.004 1.910 7.223 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.101 2.323 5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.862 -0.260 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.814 0.373 4.607 1.00 0.00 H new ATOM 892 N GLN A 60 24.241 0.512 7.645 1.00 0.00 N ATOM 893 CA GLN A 60 24.874 0.413 8.944 1.00 0.00 C ATOM 894 C GLN A 60 26.331 0.006 8.779 1.00 0.00 C ATOM 895 O GLN A 60 27.221 0.618 9.367 1.00 0.00 O ATOM 896 CB GLN A 60 24.122 -0.602 9.799 1.00 0.00 C ATOM 897 CG GLN A 60 24.265 -0.234 11.272 1.00 0.00 C ATOM 898 CD GLN A 60 22.904 -0.153 11.947 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.164 -1.134 11.977 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.573 1.022 12.489 1.00 0.00 N ATOM 0 H GLN A 60 23.960 -0.383 7.245 1.00 0.00 H new ATOM 0 HA GLN A 60 24.843 1.382 9.442 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.069 -0.620 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.516 -1.603 9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.882 -0.976 11.778 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.778 0.723 11.363 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.221 1.808 12.439 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.672 1.134 12.953 1.00 0.00 H new ATOM 909 N LYS A 61 26.575 -1.032 7.976 1.00 0.00 N ATOM 910 CA LYS A 61 27.921 -1.514 7.739 1.00 0.00 C ATOM 911 C LYS A 61 28.570 -0.708 6.623 1.00 0.00 C ATOM 912 O LYS A 61 27.889 -0.237 5.715 1.00 0.00 O ATOM 913 CB LYS A 61 27.872 -2.996 7.376 1.00 0.00 C ATOM 914 CG LYS A 61 26.920 -3.720 8.325 1.00 0.00 C ATOM 915 CD LYS A 61 26.777 -5.176 7.889 1.00 0.00 C ATOM 916 CE LYS A 61 27.969 -5.980 8.402 1.00 0.00 C ATOM 917 NZ LYS A 61 27.643 -6.658 9.667 1.00 0.00 N ATOM 0 H LYS A 61 25.849 -1.551 7.481 1.00 0.00 H new ATOM 0 HA LYS A 61 28.519 -1.393 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.538 -3.118 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 61 28.869 -3.431 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.299 -3.670 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.946 -3.231 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 61 25.848 -5.594 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 61 26.724 -5.238 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.263 -6.718 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.822 -5.318 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.469 -7.198 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 27.385 -5.950 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 26.844 -7.306 9.517 1.00 0.00 H new ATOM 931 N ARG A 62 29.894 -0.551 6.694 1.00 0.00 N ATOM 932 CA ARG A 62 30.629 0.196 5.694 1.00 0.00 C ATOM 933 C ARG A 62 31.076 -0.737 4.578 1.00 0.00 C ATOM 934 O ARG A 62 31.834 -1.674 4.815 1.00 0.00 O ATOM 935 CB ARG A 62 31.832 0.871 6.348 1.00 0.00 C ATOM 936 CG ARG A 62 32.314 0.024 7.523 1.00 0.00 C ATOM 937 CD ARG A 62 31.354 0.191 8.697 1.00 0.00 C ATOM 938 NE ARG A 62 32.064 0.649 9.893 1.00 0.00 N ATOM 939 CZ ARG A 62 31.913 1.882 10.397 1.00 0.00 C ATOM 940 NH1 ARG A 62 31.085 2.752 9.804 1.00 0.00 N ATOM 941 NH2 ARG A 62 32.590 2.244 11.496 1.00 0.00 N ATOM 0 H ARG A 62 30.473 -0.936 7.440 1.00 0.00 H new ATOM 0 HA ARG A 62 29.987 0.964 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.634 0.993 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 62 31.560 1.869 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.369 -1.025 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 62 33.319 0.327 7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.575 0.907 8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.859 -0.758 8.904 1.00 0.00 H new ATOM 0 HE ARG A 62 32.699 0.003 10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 62 30.569 2.476 8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 62 30.971 3.690 10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 62 33.220 1.581 11.948 1.00 0.00 H new ATOM 0 HH22 ARG A 62 32.475 3.182 11.880 1.00 0.00 H new ATOM 955 N LEU A 63 30.605 -0.476 3.356 1.00 0.00 N ATOM 956 CA LEU A 63 30.956 -1.292 2.210 1.00 0.00 C ATOM 957 C LEU A 63 32.172 -0.700 1.510 1.00 0.00 C ATOM 958 O LEU A 63 32.269 0.514 1.346 1.00 0.00 O ATOM 959 CB LEU A 63 29.768 -1.368 1.257 1.00 0.00 C ATOM 960 CG LEU A 63 30.260 -1.729 -0.141 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.397 -2.851 -0.711 1.00 0.00 C ATOM 962 CD2 LEU A 63 30.164 -0.503 -1.046 1.00 0.00 C ATOM 0 H LEU A 63 29.977 0.299 3.143 1.00 0.00 H new ATOM 0 HA LEU A 63 31.205 -2.301 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.055 -2.114 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.244 -0.412 1.234 1.00 0.00 H new ATOM 0 HG LEU A 63 31.297 -2.061 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.749 -3.109 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 63 29.465 -3.726 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.360 -2.520 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 63 30.515 -0.760 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 63 29.127 -0.171 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 63 30.781 0.299 -0.639 1.00 0.00 H new ATOM 974 N TYR A 64 33.102 -1.564 1.096 1.00 0.00 N ATOM 975 CA TYR A 64 34.305 -1.124 0.417 1.00 0.00 C ATOM 976 C TYR A 64 34.974 -0.017 1.220 1.00 0.00 C ATOM 977 O TYR A 64 35.649 0.841 0.657 1.00 0.00 O ATOM 978 CB TYR A 64 33.946 -0.636 -0.983 1.00 0.00 C ATOM 979 CG TYR A 64 33.305 -1.697 -1.846 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.793 -3.008 -1.820 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.223 -1.368 -2.671 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.199 -3.992 -2.620 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.629 -2.351 -3.472 1.00 0.00 C ATOM 984 CZ TYR A 64 32.116 -3.663 -3.446 1.00 0.00 C ATOM 985 OH TYR A 64 31.537 -4.620 -4.226 1.00 0.00 O ATOM 0 H TYR A 64 33.037 -2.574 1.224 1.00 0.00 H new ATOM 0 HA TYR A 64 35.005 -1.955 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.267 0.213 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.849 -0.275 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.628 -3.261 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.846 -0.356 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.575 -5.004 -2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.795 -2.097 -4.110 1.00 0.00 H new ATOM 0 HH TYR A 64 30.588 -4.410 -4.351 1.00 0.00 H new ATOM 995 N GLY A 65 34.784 -0.039 2.542 1.00 0.00 N ATOM 996 CA GLY A 65 35.370 0.962 3.411 1.00 0.00 C ATOM 997 C GLY A 65 34.681 2.304 3.209 1.00 0.00 C ATOM 998 O GLY A 65 35.241 3.350 3.532 1.00 0.00 O ATOM 0 H GLY A 65 34.227 -0.743 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.277 0.650 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.435 1.057 3.201 1.00 0.00 H new ATOM 1002 N HIS A 66 33.459 2.272 2.674 1.00 0.00 N ATOM 1003 CA HIS A 66 32.701 3.484 2.431 1.00 0.00 C ATOM 1004 C HIS A 66 31.525 3.564 3.394 1.00 0.00 C ATOM 1005 O HIS A 66 31.042 2.542 3.877 1.00 0.00 O ATOM 1006 CB HIS A 66 32.217 3.499 0.983 1.00 0.00 C ATOM 1007 CG HIS A 66 33.348 3.574 -0.006 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.685 3.688 0.297 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.231 3.542 -1.369 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.358 3.722 -0.867 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.516 3.636 -1.911 1.00 0.00 N ATOM 0 H HIS A 66 32.979 1.414 2.403 1.00 0.00 H new ATOM 0 HA HIS A 66 33.338 4.353 2.597 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.631 2.600 0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.553 4.351 0.835 1.00 0.00 H new ATOM 0 HD1 HIS A 66 35.091 3.738 1.231 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.310 3.459 -1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.431 3.807 -0.951 1.00 0.00 H new ATOM 1019 N MET A 67 31.063 4.786 3.673 1.00 0.00 N ATOM 1020 CA MET A 67 29.949 4.991 4.576 1.00 0.00 C ATOM 1021 C MET A 67 28.679 5.255 3.780 1.00 0.00 C ATOM 1022 O MET A 67 28.634 6.169 2.958 1.00 0.00 O ATOM 1023 CB MET A 67 30.258 6.163 5.503 1.00 0.00 C ATOM 1024 CG MET A 67 30.598 7.396 4.670 1.00 0.00 C ATOM 1025 SD MET A 67 31.376 8.729 5.614 1.00 0.00 S ATOM 1026 CE MET A 67 33.089 8.145 5.582 1.00 0.00 C ATOM 0 H MET A 67 31.450 5.644 3.281 1.00 0.00 H new ATOM 0 HA MET A 67 29.796 4.096 5.179 1.00 0.00 H new ATOM 0 HB2 MET A 67 29.401 6.369 6.144 1.00 0.00 H new ATOM 0 HB3 MET A 67 31.092 5.912 6.158 1.00 0.00 H new ATOM 0 HG2 MET A 67 31.264 7.102 3.859 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.685 7.775 4.211 1.00 0.00 H new ATOM 0 HE1 MET A 67 33.723 8.848 6.122 1.00 0.00 H new ATOM 0 HE2 MET A 67 33.148 7.165 6.056 1.00 0.00 H new ATOM 0 HE3 MET A 67 33.428 8.069 4.549 1.00 0.00 H new ATOM 1036 N LEU A 68 27.642 4.450 4.026 1.00 0.00 N ATOM 1037 CA LEU A 68 26.378 4.598 3.335 1.00 0.00 C ATOM 1038 C LEU A 68 25.413 5.406 4.191 1.00 0.00 C ATOM 1039 O LEU A 68 25.086 5.008 5.307 1.00 0.00 O ATOM 1040 CB LEU A 68 25.802 3.218 3.027 1.00 0.00 C ATOM 1041 CG LEU A 68 24.939 3.296 1.771 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.027 4.518 1.855 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.837 3.415 0.543 1.00 0.00 C ATOM 0 H LEU A 68 27.663 3.688 4.704 1.00 0.00 H new ATOM 0 HA LEU A 68 26.533 5.130 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.609 2.499 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 68 25.207 2.864 3.869 1.00 0.00 H new ATOM 0 HG LEU A 68 24.332 2.394 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 68 23.410 4.574 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 68 23.385 4.433 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.634 5.420 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.221 3.471 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 68 26.445 4.316 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.488 2.543 0.482 1.00 0.00 H new ATOM 1055 N ASP A 69 24.954 6.543 3.664 1.00 0.00 N ATOM 1056 CA ASP A 69 24.032 7.401 4.380 1.00 0.00 C ATOM 1057 C ASP A 69 22.870 7.777 3.474 1.00 0.00 C ATOM 1058 O ASP A 69 22.961 7.644 2.255 1.00 0.00 O ATOM 1059 CB ASP A 69 24.767 8.647 4.863 1.00 0.00 C ATOM 1060 CG ASP A 69 25.353 9.421 3.692 1.00 0.00 C ATOM 1061 OD1 ASP A 69 25.567 8.781 2.639 1.00 0.00 O ATOM 1062 OD2 ASP A 69 25.577 10.638 3.869 1.00 0.00 O ATOM 0 H ASP A 69 25.213 6.885 2.738 1.00 0.00 H new ATOM 0 HA ASP A 69 23.635 6.872 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 69 24.081 9.286 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 69 25.564 8.361 5.550 1.00 0.00 H new ATOM 1067 N ASP A 70 21.772 8.249 4.070 1.00 0.00 N ATOM 1068 CA ASP A 70 20.600 8.640 3.314 1.00 0.00 C ATOM 1069 C ASP A 70 19.798 7.404 2.931 1.00 0.00 C ATOM 1070 O ASP A 70 19.380 7.264 1.784 1.00 0.00 O ATOM 1071 CB ASP A 70 21.031 9.413 2.071 1.00 0.00 C ATOM 1072 CG ASP A 70 22.267 10.255 2.356 1.00 0.00 C ATOM 1073 OD1 ASP A 70 22.427 10.649 3.531 1.00 0.00 O ATOM 1074 OD2 ASP A 70 23.028 10.488 1.393 1.00 0.00 O ATOM 0 H ASP A 70 21.679 8.367 5.079 1.00 0.00 H new ATOM 0 HA ASP A 70 19.967 9.285 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 70 21.240 8.716 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 70 20.217 10.056 1.737 1.00 0.00 H new ATOM 1079 N SER A 71 19.583 6.507 3.895 1.00 0.00 N ATOM 1080 CA SER A 71 18.833 5.290 3.653 1.00 0.00 C ATOM 1081 C SER A 71 17.344 5.599 3.626 1.00 0.00 C ATOM 1082 O SER A 71 16.600 5.015 2.840 1.00 0.00 O ATOM 1083 CB SER A 71 19.154 4.271 4.742 1.00 0.00 C ATOM 1084 OG SER A 71 18.782 4.792 5.998 1.00 0.00 O ATOM 0 H SER A 71 19.922 6.608 4.852 1.00 0.00 H new ATOM 0 HA SER A 71 19.114 4.871 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.622 3.339 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.219 4.038 4.734 1.00 0.00 H new ATOM 0 HG SER A 71 18.987 4.137 6.698 1.00 0.00 H new ATOM 1090 N SER A 72 16.908 6.522 4.486 1.00 0.00 N ATOM 1091 CA SER A 72 15.512 6.905 4.554 1.00 0.00 C ATOM 1092 C SER A 72 15.212 7.953 3.491 1.00 0.00 C ATOM 1093 O SER A 72 14.065 8.363 3.327 1.00 0.00 O ATOM 1094 CB SER A 72 15.200 7.443 5.947 1.00 0.00 C ATOM 1095 OG SER A 72 16.043 8.538 6.228 1.00 0.00 O ATOM 0 H SER A 72 17.511 7.015 5.144 1.00 0.00 H new ATOM 0 HA SER A 72 14.883 6.035 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.156 7.750 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.343 6.660 6.691 1.00 0.00 H new ATOM 0 HG SER A 72 15.842 8.885 7.122 1.00 0.00 H new ATOM 1101 N SER A 73 16.248 8.385 2.769 1.00 0.00 N ATOM 1102 CA SER A 73 16.089 9.380 1.727 1.00 0.00 C ATOM 1103 C SER A 73 15.489 8.736 0.485 1.00 0.00 C ATOM 1104 O SER A 73 15.922 7.665 0.065 1.00 0.00 O ATOM 1105 CB SER A 73 17.445 10.004 1.410 1.00 0.00 C ATOM 1106 OG SER A 73 17.312 10.890 0.322 1.00 0.00 O ATOM 0 H SER A 73 17.205 8.055 2.894 1.00 0.00 H new ATOM 0 HA SER A 73 15.413 10.164 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.825 10.536 2.282 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.169 9.225 1.172 1.00 0.00 H new ATOM 0 HG SER A 73 17.775 10.521 -0.459 1.00 0.00 H new ATOM 1112 N GLU A 74 14.486 9.393 -0.103 1.00 0.00 N ATOM 1113 CA GLU A 74 13.834 8.882 -1.292 1.00 0.00 C ATOM 1114 C GLU A 74 14.790 8.947 -2.476 1.00 0.00 C ATOM 1115 O GLU A 74 14.833 8.030 -3.293 1.00 0.00 O ATOM 1116 CB GLU A 74 12.574 9.697 -1.569 1.00 0.00 C ATOM 1117 CG GLU A 74 12.964 11.104 -2.013 1.00 0.00 C ATOM 1118 CD GLU A 74 12.047 12.145 -1.389 1.00 0.00 C ATOM 1119 OE1 GLU A 74 12.255 12.440 -0.192 1.00 0.00 O ATOM 1120 OE2 GLU A 74 11.154 12.626 -2.120 1.00 0.00 O ATOM 0 H GLU A 74 14.113 10.281 0.233 1.00 0.00 H new ATOM 0 HA GLU A 74 13.552 7.841 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.978 9.213 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.955 9.746 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.997 11.306 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.913 11.174 -3.100 1.00 0.00 H new ATOM 1127 N GLN A 75 15.556 10.037 -2.565 1.00 0.00 N ATOM 1128 CA GLN A 75 16.504 10.217 -3.646 1.00 0.00 C ATOM 1129 C GLN A 75 17.863 9.666 -3.238 1.00 0.00 C ATOM 1130 O GLN A 75 18.560 10.268 -2.425 1.00 0.00 O ATOM 1131 CB GLN A 75 16.604 11.700 -3.992 1.00 0.00 C ATOM 1132 CG GLN A 75 15.548 12.052 -5.036 1.00 0.00 C ATOM 1133 CD GLN A 75 16.097 11.868 -6.444 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.759 10.900 -7.122 1.00 0.00 O ATOM 1135 NE2 GLN A 75 16.945 12.801 -6.882 1.00 0.00 N ATOM 0 H GLN A 75 15.531 10.806 -1.895 1.00 0.00 H new ATOM 0 HA GLN A 75 16.164 9.673 -4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.460 12.304 -3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.599 11.929 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 75 14.670 11.422 -4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.224 13.084 -4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 75 17.194 13.586 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.344 12.729 -7.818 1.00 0.00 H new ATOM 1144 N CYS A 76 18.238 8.517 -3.806 1.00 0.00 N ATOM 1145 CA CYS A 76 19.508 7.891 -3.501 1.00 0.00 C ATOM 1146 C CYS A 76 20.644 8.719 -4.084 1.00 0.00 C ATOM 1147 O CYS A 76 20.636 9.037 -5.272 1.00 0.00 O ATOM 1148 CB CYS A 76 19.526 6.475 -4.067 1.00 0.00 C ATOM 1149 SG CYS A 76 20.792 5.406 -3.338 1.00 0.00 S ATOM 0 H CYS A 76 17.670 8.006 -4.482 1.00 0.00 H new ATOM 0 HA CYS A 76 19.641 7.837 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.548 6.020 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.686 6.527 -5.144 1.00 0.00 H new ATOM 1154 N VAL A 77 21.622 9.070 -3.246 1.00 0.00 N ATOM 1155 CA VAL A 77 22.757 9.858 -3.681 1.00 0.00 C ATOM 1156 C VAL A 77 24.043 9.074 -3.465 1.00 0.00 C ATOM 1157 O VAL A 77 24.211 8.424 -2.435 1.00 0.00 O ATOM 1158 CB VAL A 77 22.789 11.173 -2.908 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.433 10.945 -1.543 1.00 0.00 C ATOM 1160 CG2 VAL A 77 23.603 12.203 -3.687 1.00 0.00 C ATOM 0 H VAL A 77 21.642 8.815 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 77 22.664 10.079 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 77 21.771 11.540 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.456 11.884 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.853 10.210 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.450 10.578 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.626 13.142 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 77 24.621 11.836 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.145 12.367 -4.662 1.00 0.00 H new ATOM 1170 N MET A 78 24.952 9.134 -4.440 1.00 0.00 N ATOM 1171 CA MET A 78 26.215 8.427 -4.351 1.00 0.00 C ATOM 1172 C MET A 78 27.271 9.331 -3.731 1.00 0.00 C ATOM 1173 O MET A 78 27.578 10.393 -4.268 1.00 0.00 O ATOM 1174 CB MET A 78 26.643 7.974 -5.744 1.00 0.00 C ATOM 1175 CG MET A 78 26.039 6.605 -6.041 1.00 0.00 C ATOM 1176 SD MET A 78 27.143 5.219 -5.671 1.00 0.00 S ATOM 1177 CE MET A 78 26.548 4.037 -6.906 1.00 0.00 C ATOM 0 H MET A 78 24.829 9.669 -5.300 1.00 0.00 H new ATOM 0 HA MET A 78 26.099 7.548 -3.716 1.00 0.00 H new ATOM 0 HB2 MET A 78 26.315 8.698 -6.490 1.00 0.00 H new ATOM 0 HB3 MET A 78 27.730 7.925 -5.804 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.122 6.490 -5.463 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.760 6.563 -7.094 1.00 0.00 H new ATOM 0 HE1 MET A 78 27.106 3.105 -6.816 1.00 0.00 H new ATOM 0 HE2 MET A 78 25.488 3.843 -6.743 1.00 0.00 H new ATOM 0 HE3 MET A 78 26.691 4.451 -7.904 1.00 0.00 H new ATOM 1187 N LYS A 79 27.827 8.906 -2.594 1.00 0.00 N ATOM 1188 CA LYS A 79 28.844 9.676 -1.907 1.00 0.00 C ATOM 1189 C LYS A 79 30.226 9.239 -2.372 1.00 0.00 C ATOM 1190 O LYS A 79 30.412 8.100 -2.795 1.00 0.00 O ATOM 1191 CB LYS A 79 28.695 9.485 -0.401 1.00 0.00 C ATOM 1192 CG LYS A 79 27.810 10.592 0.166 1.00 0.00 C ATOM 1193 CD LYS A 79 28.685 11.742 0.657 1.00 0.00 C ATOM 1194 CE LYS A 79 28.219 12.180 2.043 1.00 0.00 C ATOM 1195 NZ LYS A 79 28.681 13.544 2.348 1.00 0.00 N ATOM 0 H LYS A 79 27.583 8.028 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 79 28.723 10.734 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.257 8.510 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.674 9.506 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 79 27.119 10.947 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.206 10.205 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.728 11.429 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.628 12.579 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.131 12.141 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 79 28.598 11.487 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 28.351 13.818 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 29.720 13.573 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 28.298 14.206 1.643 1.00 0.00 H new ATOM 1209 N GLU A 80 31.199 10.150 -2.291 1.00 0.00 N ATOM 1210 CA GLU A 80 32.557 9.853 -2.701 1.00 0.00 C ATOM 1211 C GLU A 80 33.373 9.389 -1.502 1.00 0.00 C ATOM 1212 O GLU A 80 33.459 10.089 -0.496 1.00 0.00 O ATOM 1213 CB GLU A 80 33.180 11.096 -3.330 1.00 0.00 C ATOM 1214 CG GLU A 80 33.582 12.075 -2.231 1.00 0.00 C ATOM 1215 CD GLU A 80 33.662 13.496 -2.770 1.00 0.00 C ATOM 1216 OE1 GLU A 80 33.072 13.727 -3.849 1.00 0.00 O ATOM 1217 OE2 GLU A 80 34.310 14.324 -2.095 1.00 0.00 O ATOM 0 H GLU A 80 31.062 11.099 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 80 32.549 9.051 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.052 10.819 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.470 11.567 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.858 12.031 -1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.547 11.785 -1.815 1.00 0.00 H new ATOM 1224 N LYS A 81 33.973 8.202 -1.614 1.00 0.00 N ATOM 1225 CA LYS A 81 34.777 7.650 -0.542 1.00 0.00 C ATOM 1226 C LYS A 81 36.225 7.522 -0.994 1.00 0.00 C ATOM 1227 O LYS A 81 36.502 7.452 -2.189 1.00 0.00 O ATOM 1228 CB LYS A 81 34.217 6.291 -0.134 1.00 0.00 C ATOM 1229 CG LYS A 81 32.864 6.482 0.545 1.00 0.00 C ATOM 1230 CD LYS A 81 31.748 6.291 -0.478 1.00 0.00 C ATOM 1231 CE LYS A 81 30.403 6.610 0.168 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.552 7.620 1.227 1.00 0.00 N ATOM 0 H LYS A 81 33.912 7.610 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 81 34.744 8.316 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.109 5.652 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.908 5.789 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.750 5.767 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.803 7.478 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 81 31.913 6.941 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.751 5.266 -0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 81 29.709 6.973 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 81 29.972 5.700 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.613 7.968 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.025 7.194 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 31.123 8.414 0.872 1.00 0.00 H new ATOM 1246 N LYS A 82 37.150 7.492 -0.033 1.00 0.00 N ATOM 1247 CA LYS A 82 38.563 7.373 -0.336 1.00 0.00 C ATOM 1248 C LYS A 82 38.838 6.032 -1.002 1.00 0.00 C ATOM 1249 O LYS A 82 38.863 4.998 -0.337 1.00 0.00 O ATOM 1250 CB LYS A 82 39.372 7.513 0.950 1.00 0.00 C ATOM 1251 CG LYS A 82 38.977 6.405 1.922 1.00 0.00 C ATOM 1252 CD LYS A 82 38.655 7.014 3.284 1.00 0.00 C ATOM 1253 CE LYS A 82 37.739 6.069 4.060 1.00 0.00 C ATOM 1254 NZ LYS A 82 37.073 6.771 5.167 1.00 0.00 N ATOM 0 H LYS A 82 36.937 7.549 0.963 1.00 0.00 H new ATOM 0 HA LYS A 82 38.858 8.165 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.438 7.455 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.192 8.489 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.112 5.863 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.788 5.683 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.574 7.188 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 82 38.172 7.983 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 82 36.990 5.649 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.320 5.234 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 36.457 6.107 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 37.789 7.150 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 36.501 7.553 4.788 1.00 0.00 H new ATOM 1268 N ASP A 83 39.045 6.051 -2.320 1.00 0.00 N ATOM 1269 CA ASP A 83 39.316 4.842 -3.071 1.00 0.00 C ATOM 1270 C ASP A 83 40.641 4.978 -3.807 1.00 0.00 C ATOM 1271 O ASP A 83 40.823 5.906 -4.592 1.00 0.00 O ATOM 1272 CB ASP A 83 38.175 4.586 -4.052 1.00 0.00 C ATOM 1273 CG ASP A 83 36.897 4.210 -3.314 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.764 3.012 -2.985 1.00 0.00 O ATOM 1275 OD2 ASP A 83 36.079 5.129 -3.093 1.00 0.00 O ATOM 0 H ASP A 83 39.028 6.900 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 83 39.388 3.994 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.002 5.477 -4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.453 3.785 -4.738 1.00 0.00 H new ATOM 1280 N ASP A 84 41.567 4.051 -3.551 1.00 0.00 N ATOM 1281 CA ASP A 84 42.867 4.074 -4.189 1.00 0.00 C ATOM 1282 C ASP A 84 42.835 3.228 -5.454 1.00 0.00 C ATOM 1283 O ASP A 84 42.424 2.070 -5.419 1.00 0.00 O ATOM 1284 CB ASP A 84 43.920 3.551 -3.215 1.00 0.00 C ATOM 1285 CG ASP A 84 45.320 3.932 -3.672 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.775 5.021 -3.262 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.910 3.126 -4.425 1.00 0.00 O ATOM 0 H ASP A 84 41.431 3.276 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 84 43.123 5.097 -4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.735 3.957 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 84 43.841 2.467 -3.136 1.00 0.00 H new ATOM 1292 N GLY A 85 43.271 3.809 -6.574 1.00 0.00 N ATOM 1293 CA GLY A 85 43.289 3.103 -7.840 1.00 0.00 C ATOM 1294 C GLY A 85 42.052 3.455 -8.657 1.00 0.00 C ATOM 1295 O GLY A 85 41.970 3.129 -9.839 1.00 0.00 O ATOM 0 H GLY A 85 43.615 4.768 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.188 3.364 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.324 2.028 -7.665 1.00 0.00 H new ATOM 1299 N GLY A 86 41.088 4.125 -8.021 1.00 0.00 N ATOM 1300 CA GLY A 86 39.864 4.516 -8.691 1.00 0.00 C ATOM 1301 C GLY A 86 38.870 5.080 -7.686 1.00 0.00 C ATOM 1302 O GLY A 86 39.100 5.025 -6.480 1.00 0.00 O ATOM 0 H GLY A 86 41.140 4.404 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.082 5.262 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.429 3.656 -9.200 1.00 0.00 H new ATOM 1306 N LEU A 87 37.760 5.626 -8.188 1.00 0.00 N ATOM 1307 CA LEU A 87 36.737 6.199 -7.337 1.00 0.00 C ATOM 1308 C LEU A 87 35.588 5.213 -7.175 1.00 0.00 C ATOM 1309 O LEU A 87 35.162 4.587 -8.143 1.00 0.00 O ATOM 1310 CB LEU A 87 36.242 7.508 -7.946 1.00 0.00 C ATOM 1311 CG LEU A 87 36.976 8.679 -7.298 1.00 0.00 C ATOM 1312 CD1 LEU A 87 36.850 8.583 -5.781 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.451 8.634 -7.690 1.00 0.00 C ATOM 0 H LEU A 87 37.554 5.679 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 87 37.154 6.407 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.413 7.508 -9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.167 7.609 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 87 36.537 9.616 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 87 37.374 9.419 -5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.797 8.615 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.288 7.646 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 87 38.976 9.470 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 87 38.890 7.696 -7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.542 8.703 -8.774 1.00 0.00 H new ATOM 1325 N MET A 88 35.087 5.075 -5.945 1.00 0.00 N ATOM 1326 CA MET A 88 33.995 4.167 -5.664 1.00 0.00 C ATOM 1327 C MET A 88 32.969 4.849 -4.772 1.00 0.00 C ATOM 1328 O MET A 88 33.276 5.230 -3.644 1.00 0.00 O ATOM 1329 CB MET A 88 34.540 2.908 -4.995 1.00 0.00 C ATOM 1330 CG MET A 88 35.832 2.484 -5.685 1.00 0.00 C ATOM 1331 SD MET A 88 36.067 0.691 -5.769 1.00 0.00 S ATOM 1332 CE MET A 88 37.822 0.649 -6.212 1.00 0.00 C ATOM 0 H MET A 88 35.428 5.587 -5.131 1.00 0.00 H new ATOM 0 HA MET A 88 33.505 3.886 -6.596 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.725 3.096 -3.937 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.804 2.106 -5.052 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.841 2.889 -6.697 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.676 2.927 -5.156 1.00 0.00 H new ATOM 0 HE1 MET A 88 38.148 -0.387 -6.309 1.00 0.00 H new ATOM 0 HE2 MET A 88 37.970 1.166 -7.160 1.00 0.00 H new ATOM 0 HE3 MET A 88 38.405 1.142 -5.434 1.00 0.00 H new ATOM 1342 N PHE A 89 31.744 5.004 -5.280 1.00 0.00 N ATOM 1343 CA PHE A 89 30.680 5.638 -4.527 1.00 0.00 C ATOM 1344 C PHE A 89 29.632 4.605 -4.142 1.00 0.00 C ATOM 1345 O PHE A 89 29.367 3.673 -4.899 1.00 0.00 O ATOM 1346 CB PHE A 89 30.060 6.752 -5.366 1.00 0.00 C ATOM 1347 CG PHE A 89 30.988 7.922 -5.595 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.308 7.699 -6.004 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.527 9.229 -5.396 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.168 8.784 -6.213 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.387 10.313 -5.606 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.707 10.091 -6.015 1.00 0.00 C ATOM 0 H PHE A 89 31.472 4.695 -6.213 1.00 0.00 H new ATOM 0 HA PHE A 89 31.085 6.071 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.758 6.344 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.155 7.107 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.663 6.691 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.508 9.401 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.187 8.613 -6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.032 11.321 -5.452 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.370 10.928 -6.178 1.00 0.00 H new ATOM 1362 N MET A 90 29.034 4.772 -2.960 1.00 0.00 N ATOM 1363 CA MET A 90 28.020 3.851 -2.482 1.00 0.00 C ATOM 1364 C MET A 90 26.804 4.628 -2.000 1.00 0.00 C ATOM 1365 O MET A 90 26.937 5.616 -1.283 1.00 0.00 O ATOM 1366 CB MET A 90 28.599 3.000 -1.355 1.00 0.00 C ATOM 1367 CG MET A 90 29.243 3.908 -0.311 1.00 0.00 C ATOM 1368 SD MET A 90 28.649 3.625 1.375 1.00 0.00 S ATOM 1369 CE MET A 90 28.592 1.817 1.363 1.00 0.00 C ATOM 0 H MET A 90 29.240 5.540 -2.321 1.00 0.00 H new ATOM 0 HA MET A 90 27.708 3.194 -3.294 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.812 2.401 -0.896 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.338 2.304 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.323 3.763 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.055 4.947 -0.582 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.507 1.449 2.385 1.00 0.00 H new ATOM 0 HE2 MET A 90 27.730 1.484 0.784 1.00 0.00 H new ATOM 0 HE3 MET A 90 29.505 1.427 0.912 1.00 0.00 H new ATOM 1379 N CYS A 91 25.612 4.176 -2.399 1.00 0.00 N ATOM 1380 CA CYS A 91 24.377 4.826 -2.008 1.00 0.00 C ATOM 1381 C CYS A 91 23.337 3.776 -1.641 1.00 0.00 C ATOM 1382 O CYS A 91 23.429 2.631 -2.074 1.00 0.00 O ATOM 1383 CB CYS A 91 23.880 5.703 -3.153 1.00 0.00 C ATOM 1384 SG CYS A 91 22.254 6.442 -2.861 1.00 0.00 S ATOM 0 H CYS A 91 25.485 3.358 -2.995 1.00 0.00 H new ATOM 0 HA CYS A 91 24.552 5.456 -1.136 1.00 0.00 H new ATOM 0 HB2 CYS A 91 24.604 6.499 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 91 23.838 5.105 -4.063 1.00 0.00 H new ATOM 1389 N SER A 92 22.346 4.172 -0.839 1.00 0.00 N ATOM 1390 CA SER A 92 21.296 3.266 -0.420 1.00 0.00 C ATOM 1391 C SER A 92 19.951 3.979 -0.461 1.00 0.00 C ATOM 1392 O SER A 92 19.892 5.187 -0.683 1.00 0.00 O ATOM 1393 CB SER A 92 21.594 2.758 0.988 1.00 0.00 C ATOM 1394 OG SER A 92 21.416 3.807 1.913 1.00 0.00 O ATOM 0 H SER A 92 22.256 5.119 -0.470 1.00 0.00 H new ATOM 0 HA SER A 92 21.255 2.414 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.934 1.926 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.615 2.381 1.042 1.00 0.00 H new ATOM 0 HG SER A 92 20.981 3.461 2.720 1.00 0.00 H new ATOM 1400 N CYS A 93 18.869 3.226 -0.246 1.00 0.00 N ATOM 1401 CA CYS A 93 17.533 3.786 -0.259 1.00 0.00 C ATOM 1402 C CYS A 93 16.505 2.668 -0.151 1.00 0.00 C ATOM 1403 O CYS A 93 16.577 1.683 -0.881 1.00 0.00 O ATOM 1404 CB CYS A 93 17.329 4.585 -1.543 1.00 0.00 C ATOM 1405 SG CYS A 93 17.840 3.710 -3.042 1.00 0.00 S ATOM 0 H CYS A 93 18.902 2.223 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 93 17.406 4.454 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.275 4.850 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 93 17.888 5.518 -1.471 1.00 0.00 H new ATOM 1410 N THR A 94 15.548 2.822 0.767 1.00 0.00 N ATOM 1411 CA THR A 94 14.513 1.827 0.963 1.00 0.00 C ATOM 1412 C THR A 94 13.488 1.916 -0.158 1.00 0.00 C ATOM 1413 O THR A 94 12.552 1.122 -0.215 1.00 0.00 O ATOM 1414 CB THR A 94 13.851 2.043 2.320 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.586 1.420 2.330 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.683 3.539 2.572 1.00 0.00 C ATOM 0 H THR A 94 15.476 3.631 1.383 1.00 0.00 H new ATOM 0 HA THR A 94 14.955 0.831 0.943 1.00 0.00 H new ATOM 0 HB THR A 94 14.475 1.611 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.495 0.851 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.210 3.694 3.542 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.660 4.021 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.058 3.972 1.790 1.00 0.00 H new ATOM 1424 N GLY A 95 13.668 2.889 -1.054 1.00 0.00 N ATOM 1425 CA GLY A 95 12.758 3.076 -2.167 1.00 0.00 C ATOM 1426 C GLY A 95 12.766 1.849 -3.068 1.00 0.00 C ATOM 1427 O GLY A 95 13.158 0.764 -2.642 1.00 0.00 O ATOM 0 H GLY A 95 14.439 3.556 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.749 3.256 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.048 3.957 -2.739 1.00 0.00 H new ATOM 1431 N GLU A 96 12.331 2.023 -4.317 1.00 0.00 N ATOM 1432 CA GLU A 96 12.293 0.931 -5.270 1.00 0.00 C ATOM 1433 C GLU A 96 13.402 1.100 -6.299 1.00 0.00 C ATOM 1434 O GLU A 96 13.435 2.091 -7.026 1.00 0.00 O ATOM 1435 CB GLU A 96 10.926 0.899 -5.948 1.00 0.00 C ATOM 1436 CG GLU A 96 10.881 -0.254 -6.947 1.00 0.00 C ATOM 1437 CD GLU A 96 9.927 0.056 -8.092 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.767 0.408 -7.785 1.00 0.00 O ATOM 1439 OE2 GLU A 96 10.374 -0.064 -9.252 1.00 0.00 O ATOM 0 H GLU A 96 12.001 2.915 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 96 12.451 -0.014 -4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.141 0.779 -5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.739 1.844 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.880 -0.438 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.564 -1.166 -6.441 1.00 0.00 H new ATOM 1446 N GLU A 97 14.312 0.125 -6.360 1.00 0.00 N ATOM 1447 CA GLU A 97 15.414 0.169 -7.299 1.00 0.00 C ATOM 1448 C GLU A 97 15.984 1.580 -7.366 1.00 0.00 C ATOM 1449 O GLU A 97 16.603 1.957 -8.358 1.00 0.00 O ATOM 1450 CB GLU A 97 14.928 -0.282 -8.674 1.00 0.00 C ATOM 1451 CG GLU A 97 14.462 -1.733 -8.597 1.00 0.00 C ATOM 1452 CD GLU A 97 13.329 -1.992 -9.580 1.00 0.00 C ATOM 1453 OE1 GLU A 97 13.649 -2.271 -10.755 1.00 0.00 O ATOM 1454 OE2 GLU A 97 12.163 -1.907 -9.137 1.00 0.00 O ATOM 0 H GLU A 97 14.299 -0.703 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 97 16.204 -0.504 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.111 0.356 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.730 -0.185 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.297 -2.399 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.129 -1.959 -7.584 1.00 0.00 H new ATOM 1461 N CYS A 98 15.773 2.358 -6.302 1.00 0.00 N ATOM 1462 CA CYS A 98 16.265 3.720 -6.242 1.00 0.00 C ATOM 1463 C CYS A 98 17.784 3.723 -6.325 1.00 0.00 C ATOM 1464 O CYS A 98 18.386 4.735 -6.677 1.00 0.00 O ATOM 1465 CB CYS A 98 15.793 4.373 -4.945 1.00 0.00 C ATOM 1466 SG CYS A 98 15.795 3.260 -3.518 1.00 0.00 S ATOM 0 H CYS A 98 15.262 2.059 -5.472 1.00 0.00 H new ATOM 0 HA CYS A 98 15.874 4.290 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.433 5.228 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.784 4.759 -5.091 1.00 0.00 H new ATOM 1471 N ASN A 99 18.403 2.586 -6.000 1.00 0.00 N ATOM 1472 CA ASN A 99 19.846 2.465 -6.041 1.00 0.00 C ATOM 1473 C ASN A 99 20.329 2.490 -7.485 1.00 0.00 C ATOM 1474 O ASN A 99 21.459 2.888 -7.759 1.00 0.00 O ATOM 1475 CB ASN A 99 20.266 1.168 -5.354 1.00 0.00 C ATOM 1476 CG ASN A 99 19.295 0.042 -5.681 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.430 0.196 -6.539 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.444 -1.094 -4.995 1.00 0.00 N ATOM 0 H ASN A 99 17.918 1.738 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 99 20.299 3.305 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.271 0.891 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 99 20.304 1.319 -4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.823 -1.883 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.179 -1.172 -4.292 1.00 0.00 H new ATOM 1485 N ASP A 100 19.465 2.065 -8.410 1.00 0.00 N ATOM 1486 CA ASP A 100 19.805 2.040 -9.818 1.00 0.00 C ATOM 1487 C ASP A 100 20.255 3.425 -10.264 1.00 0.00 C ATOM 1488 O ASP A 100 21.172 3.550 -11.072 1.00 0.00 O ATOM 1489 CB ASP A 100 18.593 1.580 -10.624 1.00 0.00 C ATOM 1490 CG ASP A 100 17.901 2.761 -11.287 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.455 3.253 -12.294 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.829 3.151 -10.776 1.00 0.00 O ATOM 0 H ASP A 100 18.524 1.734 -8.199 1.00 0.00 H new ATOM 0 HA ASP A 100 20.624 1.341 -9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.907 0.864 -11.384 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.891 1.063 -9.970 1.00 0.00 H new ATOM 1497 N VAL A 101 19.605 4.465 -9.735 1.00 0.00 N ATOM 1498 CA VAL A 101 19.941 5.831 -10.080 1.00 0.00 C ATOM 1499 C VAL A 101 20.975 6.370 -9.102 1.00 0.00 C ATOM 1500 O VAL A 101 20.636 6.750 -7.983 1.00 0.00 O ATOM 1501 CB VAL A 101 18.677 6.686 -10.056 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.762 7.751 -11.146 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.460 5.799 -10.304 1.00 0.00 C ATOM 0 H VAL A 101 18.842 4.377 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 101 20.367 5.863 -11.083 1.00 0.00 H new ATOM 0 HB VAL A 101 18.583 7.169 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.859 8.362 -11.129 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.632 8.384 -10.969 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.856 7.269 -12.119 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.556 6.408 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.554 5.316 -11.277 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.399 5.038 -9.526 1.00 0.00 H new ATOM 1513 N LEU A 102 22.240 6.403 -9.526 1.00 0.00 N ATOM 1514 CA LEU A 102 23.316 6.895 -8.689 1.00 0.00 C ATOM 1515 C LEU A 102 23.522 8.383 -8.934 1.00 0.00 C ATOM 1516 O LEU A 102 23.843 8.793 -10.047 1.00 0.00 O ATOM 1517 CB LEU A 102 24.592 6.115 -8.992 1.00 0.00 C ATOM 1518 CG LEU A 102 24.486 5.482 -10.376 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.884 5.270 -10.949 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.771 4.138 -10.266 1.00 0.00 C ATOM 0 H LEU A 102 22.537 6.091 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 102 23.059 6.753 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.455 6.779 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.746 5.343 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 102 23.921 6.142 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.807 4.818 -11.938 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.394 6.230 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.451 4.611 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.695 3.685 -11.254 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.335 3.478 -9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.772 4.290 -9.858 1.00 0.00 H new ATOM 1532 N ILE A 103 23.338 9.191 -7.887 1.00 0.00 N ATOM 1533 CA ILE A 103 23.505 10.628 -7.990 1.00 0.00 C ATOM 1534 C ILE A 103 24.880 11.024 -7.471 1.00 0.00 C ATOM 1535 O ILE A 103 25.259 10.647 -6.364 1.00 0.00 O ATOM 1536 CB ILE A 103 22.403 11.325 -7.197 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.205 11.581 -8.106 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.928 12.654 -6.660 1.00 0.00 C ATOM 1539 CD1 ILE A 103 20.078 10.617 -7.745 1.00 0.00 C ATOM 0 H ILE A 103 23.072 8.865 -6.958 1.00 0.00 H new ATOM 0 HA ILE A 103 23.431 10.935 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 103 22.097 10.691 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.866 12.611 -7.997 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.491 11.448 -9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.142 13.153 -6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.784 12.471 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.233 13.288 -7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.221 10.799 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.421 9.591 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.786 10.772 -6.706 1.00 0.00 H new ATOM 1551 N PHE A 104 25.626 11.787 -8.272 1.00 0.00 N ATOM 1552 CA PHE A 104 26.952 12.228 -7.888 1.00 0.00 C ATOM 1553 C PHE A 104 26.976 13.746 -7.770 1.00 0.00 C ATOM 1554 O PHE A 104 26.812 14.451 -8.763 1.00 0.00 O ATOM 1555 CB PHE A 104 27.967 11.749 -8.922 1.00 0.00 C ATOM 1556 CG PHE A 104 27.884 10.268 -9.205 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.746 9.734 -9.821 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.948 9.428 -8.853 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.671 8.362 -10.086 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.873 8.056 -9.117 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.734 7.523 -9.733 1.00 0.00 C ATOM 0 H PHE A 104 25.326 12.109 -9.192 1.00 0.00 H new ATOM 0 HA PHE A 104 27.214 11.804 -6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.814 12.298 -9.851 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.971 11.988 -8.572 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.925 10.381 -10.092 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.826 9.839 -8.378 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.793 7.951 -10.563 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.693 7.408 -8.846 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.676 6.464 -9.936 1.00 0.00 H new ATOM 1571 N SER A 105 27.182 14.248 -6.550 1.00 0.00 N ATOM 1572 CA SER A 105 27.230 15.676 -6.310 1.00 0.00 C ATOM 1573 C SER A 105 28.396 16.007 -5.390 1.00 0.00 C ATOM 1574 O SER A 105 28.496 15.468 -4.290 1.00 0.00 O ATOM 1575 CB SER A 105 25.909 16.130 -5.695 1.00 0.00 C ATOM 1576 OG SER A 105 25.941 15.915 -4.302 1.00 0.00 O ATOM 0 H SER A 105 27.318 13.677 -5.716 1.00 0.00 H new ATOM 0 HA SER A 105 27.378 16.203 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.741 17.186 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.080 15.579 -6.140 1.00 0.00 H new ATOM 0 HG SER A 105 26.724 15.372 -4.073 1.00 0.00 H new ATOM 1582 N ALA A 106 29.279 16.899 -5.843 1.00 0.00 N ATOM 1583 CA ALA A 106 30.433 17.298 -5.062 1.00 0.00 C ATOM 1584 C ALA A 106 30.075 18.491 -4.187 1.00 0.00 C ATOM 1585 O ALA A 106 30.517 19.608 -4.446 1.00 0.00 O ATOM 1586 CB ALA A 106 31.587 17.643 -6.000 1.00 0.00 C ATOM 0 H ALA A 106 29.209 17.356 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 106 30.741 16.477 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.455 17.943 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.840 16.770 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.291 18.462 -6.655 1.00 0.00 H new