USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 5 SER OG : rot -111:sc= 0.433 USER MOD Single : A 7 GLN : amide:sc= -0.0285 X(o=-0.028,f=-0.019) USER MOD Single : A 8 MET CE :methyl -132:sc= -0.555 (180deg=-3.88!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -3.35! USER MOD Single : A 19 SER OG : rot 70:sc= 0.232 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.00066 X(o=-0.00066,f=-0.048) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000655) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.56! C(o=-1.6!,f=-3.8!) USER MOD Single : A 41 THR OG1 : rot 68:sc= 1.08 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -3.44! C(o=-4!,f=-3.4!) USER MOD Single : A 52 TYR OH : rot 23:sc= -5.77! USER MOD Single : A 54 ASN : amide:sc= -0.891 X(o=-0.89,f=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= -0.718 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -13.3! C(o=-17!,f=-13!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 129:sc= -0.801 (180deg=-1.88!) USER MOD Single : A 75 THR OG1 : rot 111:sc= -0.535 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 65 N SER A 5 2.517 -7.440 -3.174 1.00 0.00 N ATOM 66 CA SER A 5 3.333 -6.946 -2.078 1.00 0.00 C ATOM 67 C SER A 5 3.940 -5.591 -2.447 1.00 0.00 C ATOM 68 O SER A 5 3.295 -4.555 -2.291 1.00 0.00 O ATOM 69 CB SER A 5 4.437 -7.943 -1.721 1.00 0.00 C ATOM 70 OG SER A 5 5.359 -7.403 -0.778 1.00 0.00 O ATOM 0 HA SER A 5 2.694 -6.824 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.989 -8.849 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.971 -8.232 -2.626 1.00 0.00 H new ATOM 0 HG SER A 5 6.223 -7.253 -1.215 1.00 0.00 H new ATOM 76 N CYS A 6 5.172 -5.643 -2.931 1.00 0.00 N ATOM 77 CA CYS A 6 5.873 -4.432 -3.323 1.00 0.00 C ATOM 78 C CYS A 6 4.867 -3.487 -3.984 1.00 0.00 C ATOM 79 O CYS A 6 4.597 -2.403 -3.469 1.00 0.00 O ATOM 80 CB CYS A 6 7.058 -4.737 -4.242 1.00 0.00 C ATOM 81 SG CYS A 6 8.295 -3.394 -4.371 1.00 0.00 S ATOM 0 H CYS A 6 5.703 -6.504 -3.061 1.00 0.00 H new ATOM 0 HA CYS A 6 6.296 -3.952 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.556 -5.637 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.678 -4.959 -5.239 1.00 0.00 H new ATOM 86 N GLN A 7 4.340 -3.933 -5.115 1.00 0.00 N ATOM 87 CA GLN A 7 3.370 -3.141 -5.851 1.00 0.00 C ATOM 88 C GLN A 7 2.454 -2.389 -4.884 1.00 0.00 C ATOM 89 O GLN A 7 2.389 -1.161 -4.912 1.00 0.00 O ATOM 90 CB GLN A 7 2.557 -4.018 -6.806 1.00 0.00 C ATOM 91 CG GLN A 7 3.225 -4.098 -8.180 1.00 0.00 C ATOM 92 CD GLN A 7 4.385 -5.096 -8.168 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.549 -4.734 -8.210 1.00 0.00 O ATOM 94 NE2 GLN A 7 4.004 -6.368 -8.108 1.00 0.00 N ATOM 0 H GLN A 7 4.567 -4.832 -5.539 1.00 0.00 H new ATOM 0 HA GLN A 7 3.910 -2.409 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.456 -5.020 -6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.551 -3.613 -6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.491 -4.397 -8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.591 -3.113 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.012 -6.602 -8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.704 -7.110 -8.095 1.00 0.00 H new ATOM 103 N MET A 8 1.769 -3.157 -4.050 1.00 0.00 N ATOM 104 CA MET A 8 0.860 -2.579 -3.075 1.00 0.00 C ATOM 105 C MET A 8 1.531 -1.438 -2.307 1.00 0.00 C ATOM 106 O MET A 8 0.919 -0.398 -2.072 1.00 0.00 O ATOM 107 CB MET A 8 0.410 -3.661 -2.091 1.00 0.00 C ATOM 108 CG MET A 8 -0.166 -4.870 -2.831 1.00 0.00 C ATOM 109 SD MET A 8 -1.363 -5.703 -1.802 1.00 0.00 S ATOM 110 CE MET A 8 -2.117 -6.778 -3.011 1.00 0.00 C ATOM 0 H MET A 8 1.825 -4.175 -4.029 1.00 0.00 H new ATOM 0 HA MET A 8 -0.003 -2.176 -3.606 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.255 -3.974 -1.478 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.341 -3.253 -1.414 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.635 -4.548 -3.761 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.636 -5.558 -3.100 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.202 -6.709 -2.933 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.805 -6.476 -4.011 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.805 -7.806 -2.828 1.00 0.00 H new ATOM 120 N CYS A 9 2.782 -1.672 -1.938 1.00 0.00 N ATOM 121 CA CYS A 9 3.544 -0.678 -1.202 1.00 0.00 C ATOM 122 C CYS A 9 3.655 0.579 -2.068 1.00 0.00 C ATOM 123 O CYS A 9 3.673 1.695 -1.549 1.00 0.00 O ATOM 124 CB CYS A 9 4.918 -1.209 -0.789 1.00 0.00 C ATOM 125 SG CYS A 9 6.283 0.001 -0.932 1.00 0.00 S ATOM 0 H CYS A 9 3.287 -2.536 -2.135 1.00 0.00 H new ATOM 0 HA CYS A 9 3.028 -0.435 -0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.863 -1.554 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.156 -2.078 -1.403 1.00 0.00 H new ATOM 130 N GLU A 10 3.726 0.357 -3.372 1.00 0.00 N ATOM 131 CA GLU A 10 3.834 1.458 -4.314 1.00 0.00 C ATOM 132 C GLU A 10 2.469 2.117 -4.519 1.00 0.00 C ATOM 133 O GLU A 10 2.365 3.140 -5.195 1.00 0.00 O ATOM 134 CB GLU A 10 4.420 0.984 -5.646 1.00 0.00 C ATOM 135 CG GLU A 10 5.118 2.132 -6.377 1.00 0.00 C ATOM 136 CD GLU A 10 5.529 1.713 -7.790 1.00 0.00 C ATOM 137 OE1 GLU A 10 4.920 0.745 -8.295 1.00 0.00 O ATOM 138 OE2 GLU A 10 6.444 2.369 -8.333 1.00 0.00 O ATOM 0 H GLU A 10 3.711 -0.569 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 10 4.515 2.201 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.130 0.176 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.626 0.578 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.452 2.993 -6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.999 2.443 -5.815 1.00 0.00 H new ATOM 146 N LEU A 11 1.456 1.505 -3.924 1.00 0.00 N ATOM 147 CA LEU A 11 0.102 2.020 -4.033 1.00 0.00 C ATOM 148 C LEU A 11 -0.176 2.964 -2.862 1.00 0.00 C ATOM 149 O LEU A 11 -0.528 4.125 -3.066 1.00 0.00 O ATOM 150 CB LEU A 11 -0.901 0.870 -4.147 1.00 0.00 C ATOM 151 CG LEU A 11 -2.378 1.269 -4.185 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.626 2.350 -5.239 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.271 0.046 -4.398 1.00 0.00 C ATOM 0 H LEU A 11 1.546 0.657 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.011 2.603 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.674 0.305 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.749 0.196 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.642 1.695 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.683 2.616 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.031 3.232 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.340 1.973 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.315 0.358 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.014 -0.432 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.121 -0.661 -3.582 1.00 0.00 H new ATOM 165 N VAL A 12 -0.007 2.432 -1.661 1.00 0.00 N ATOM 166 CA VAL A 12 -0.235 3.213 -0.457 1.00 0.00 C ATOM 167 C VAL A 12 0.618 4.482 -0.508 1.00 0.00 C ATOM 168 O VAL A 12 0.127 5.576 -0.234 1.00 0.00 O ATOM 169 CB VAL A 12 0.039 2.357 0.782 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.804 1.080 0.764 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.529 2.030 0.903 1.00 0.00 C ATOM 0 H VAL A 12 0.285 1.469 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.278 3.525 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.249 2.935 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.590 0.490 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.862 1.343 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.561 0.496 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.697 1.421 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.854 1.480 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.099 2.955 0.984 1.00 0.00 H new ATOM 181 N VAL A 13 1.881 4.293 -0.860 1.00 0.00 N ATOM 182 CA VAL A 13 2.807 5.409 -0.951 1.00 0.00 C ATOM 183 C VAL A 13 2.329 6.376 -2.036 1.00 0.00 C ATOM 184 O VAL A 13 2.062 7.544 -1.757 1.00 0.00 O ATOM 185 CB VAL A 13 4.227 4.893 -1.194 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.710 4.042 -0.018 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.308 4.110 -2.507 1.00 0.00 C ATOM 0 H VAL A 13 2.285 3.384 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 13 2.832 5.961 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 13 4.888 5.756 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.722 3.688 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.708 4.643 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.045 3.188 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.327 3.754 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.629 3.258 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.025 4.759 -3.336 1.00 0.00 H new ATOM 197 N LYS A 14 2.235 5.855 -3.250 1.00 0.00 N ATOM 198 CA LYS A 14 1.794 6.658 -4.377 1.00 0.00 C ATOM 199 C LYS A 14 0.586 7.498 -3.958 1.00 0.00 C ATOM 200 O LYS A 14 0.420 8.626 -4.418 1.00 0.00 O ATOM 201 CB LYS A 14 1.533 5.771 -5.597 1.00 0.00 C ATOM 202 CG LYS A 14 1.042 6.602 -6.784 1.00 0.00 C ATOM 203 CD LYS A 14 -0.444 6.353 -7.051 1.00 0.00 C ATOM 204 CE LYS A 14 -0.653 5.695 -8.416 1.00 0.00 C ATOM 205 NZ LYS A 14 -1.704 4.656 -8.336 1.00 0.00 N ATOM 0 H LYS A 14 2.457 4.886 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 14 2.577 7.354 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.447 5.244 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.791 5.013 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.207 7.661 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.622 6.351 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.856 5.715 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.987 7.297 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.935 6.449 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.281 5.250 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.833 4.220 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.420 3.927 -7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.598 5.090 -8.030 1.00 0.00 H new ATOM 219 N LYS A 15 -0.227 6.915 -3.089 1.00 0.00 N ATOM 220 CA LYS A 15 -1.415 7.596 -2.602 1.00 0.00 C ATOM 221 C LYS A 15 -1.015 8.593 -1.513 1.00 0.00 C ATOM 222 O LYS A 15 -1.544 9.703 -1.459 1.00 0.00 O ATOM 223 CB LYS A 15 -2.467 6.581 -2.150 1.00 0.00 C ATOM 224 CG LYS A 15 -2.982 5.761 -3.335 1.00 0.00 C ATOM 225 CD LYS A 15 -3.738 6.648 -4.327 1.00 0.00 C ATOM 226 CE LYS A 15 -4.360 5.810 -5.447 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.087 6.678 -6.400 1.00 0.00 N ATOM 0 H LYS A 15 -0.086 5.979 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.882 8.169 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.037 5.915 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.298 7.101 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.145 5.277 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.639 4.969 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.519 7.201 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.057 7.385 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.581 5.257 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.043 5.074 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.503 6.094 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.843 7.187 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.427 7.364 -6.818 1.00 0.00 H new ATOM 241 N TYR A 16 -0.085 8.163 -0.673 1.00 0.00 N ATOM 242 CA TYR A 16 0.391 9.004 0.411 1.00 0.00 C ATOM 243 C TYR A 16 1.348 10.079 -0.109 1.00 0.00 C ATOM 244 O TYR A 16 1.010 11.261 -0.124 1.00 0.00 O ATOM 245 CB TYR A 16 1.151 8.078 1.362 1.00 0.00 C ATOM 246 CG TYR A 16 1.864 8.805 2.503 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.583 10.132 2.758 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.789 8.135 3.278 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.254 10.817 3.832 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.460 8.820 4.353 1.00 0.00 C ATOM 251 CZ TYR A 16 3.159 10.128 4.576 1.00 0.00 C ATOM 252 OH TYR A 16 3.793 10.775 5.591 1.00 0.00 O ATOM 0 H TYR A 16 0.352 7.242 -0.722 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.443 9.510 0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.452 7.357 1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.886 7.512 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.860 10.657 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.010 7.097 3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.043 11.855 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.185 8.307 4.968 1.00 0.00 H new ATOM 0 HH TYR A 16 3.207 11.473 5.951 1.00 0.00 H new ATOM 262 N GLU A 17 2.524 9.629 -0.521 1.00 0.00 N ATOM 263 CA GLU A 17 3.533 10.537 -1.040 1.00 0.00 C ATOM 264 C GLU A 17 2.889 11.572 -1.965 1.00 0.00 C ATOM 265 O GLU A 17 3.302 12.731 -1.988 1.00 0.00 O ATOM 266 CB GLU A 17 4.641 9.770 -1.764 1.00 0.00 C ATOM 267 CG GLU A 17 5.502 8.985 -0.772 1.00 0.00 C ATOM 268 CD GLU A 17 6.334 9.928 0.099 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.793 10.369 1.136 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.492 10.188 -0.293 1.00 0.00 O ATOM 0 H GLU A 17 2.801 8.647 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 17 3.989 11.061 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.201 9.086 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.266 10.467 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.863 8.369 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.162 8.308 -1.314 1.00 0.00 H new ATOM 278 N GLY A 18 1.889 11.118 -2.704 1.00 0.00 N ATOM 279 CA GLY A 18 1.184 11.990 -3.628 1.00 0.00 C ATOM 280 C GLY A 18 -0.289 12.126 -3.239 1.00 0.00 C ATOM 281 O GLY A 18 -1.170 12.055 -4.094 1.00 0.00 O ATOM 0 H GLY A 18 1.549 10.156 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.654 12.973 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.261 11.592 -4.640 1.00 0.00 H new ATOM 285 N SER A 19 -0.511 12.320 -1.947 1.00 0.00 N ATOM 286 CA SER A 19 -1.862 12.467 -1.433 1.00 0.00 C ATOM 287 C SER A 19 -2.239 13.948 -1.367 1.00 0.00 C ATOM 288 O SER A 19 -3.290 14.348 -1.866 1.00 0.00 O ATOM 289 CB SER A 19 -2.000 11.822 -0.053 1.00 0.00 C ATOM 290 OG SER A 19 -3.206 11.072 0.069 1.00 0.00 O ATOM 0 H SER A 19 0.223 12.379 -1.241 1.00 0.00 H new ATOM 0 HA SER A 19 -2.543 11.955 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.147 11.168 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.976 12.597 0.713 1.00 0.00 H new ATOM 0 HG SER A 19 -3.151 10.270 -0.492 1.00 0.00 H new ATOM 296 N ALA A 20 -1.360 14.722 -0.747 1.00 0.00 N ATOM 297 CA ALA A 20 -1.588 16.151 -0.610 1.00 0.00 C ATOM 298 C ALA A 20 -2.530 16.401 0.569 1.00 0.00 C ATOM 299 O ALA A 20 -2.838 17.549 0.889 1.00 0.00 O ATOM 300 CB ALA A 20 -2.137 16.709 -1.924 1.00 0.00 C ATOM 0 H ALA A 20 -0.489 14.387 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.653 16.671 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.308 17.781 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.418 16.531 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.077 16.213 -2.165 1.00 0.00 H new ATOM 306 N ASP A 21 -2.961 15.310 1.184 1.00 0.00 N ATOM 307 CA ASP A 21 -3.862 15.397 2.320 1.00 0.00 C ATOM 308 C ASP A 21 -3.137 14.915 3.578 1.00 0.00 C ATOM 309 O ASP A 21 -3.621 15.111 4.692 1.00 0.00 O ATOM 310 CB ASP A 21 -5.094 14.512 2.116 1.00 0.00 C ATOM 311 CG ASP A 21 -6.371 15.018 2.789 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.492 16.255 2.921 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.198 14.156 3.157 1.00 0.00 O ATOM 0 H ASP A 21 -2.703 14.360 0.917 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.177 16.436 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.279 14.414 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.873 13.514 2.494 1.00 0.00 H new ATOM 319 N LYS A 22 -1.988 14.293 3.359 1.00 0.00 N ATOM 320 CA LYS A 22 -1.191 13.781 4.461 1.00 0.00 C ATOM 321 C LYS A 22 -2.112 13.106 5.480 1.00 0.00 C ATOM 322 O LYS A 22 -2.167 13.516 6.638 1.00 0.00 O ATOM 323 CB LYS A 22 -0.324 14.892 5.057 1.00 0.00 C ATOM 324 CG LYS A 22 0.439 15.639 3.961 1.00 0.00 C ATOM 325 CD LYS A 22 1.587 14.787 3.415 1.00 0.00 C ATOM 326 CE LYS A 22 2.943 15.381 3.803 1.00 0.00 C ATOM 327 NZ LYS A 22 3.955 14.311 3.944 1.00 0.00 N ATOM 0 H LYS A 22 -1.590 14.132 2.434 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.495 13.021 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.952 15.591 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.381 14.465 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.243 15.899 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.833 16.574 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.507 13.771 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.512 14.721 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.264 16.096 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.852 15.930 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.869 14.731 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.654 13.644 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.054 13.805 3.041 1.00 0.00 H new ATOM 341 N ASP A 23 -2.812 12.084 5.011 1.00 0.00 N ATOM 342 CA ASP A 23 -3.727 11.348 5.867 1.00 0.00 C ATOM 343 C ASP A 23 -3.736 9.876 5.451 1.00 0.00 C ATOM 344 O ASP A 23 -4.099 9.548 4.322 1.00 0.00 O ATOM 345 CB ASP A 23 -5.154 11.885 5.737 1.00 0.00 C ATOM 346 CG ASP A 23 -5.691 12.601 6.977 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.989 11.889 7.960 1.00 0.00 O ATOM 348 OD2 ASP A 23 -5.791 13.846 6.915 1.00 0.00 O ATOM 0 H ASP A 23 -2.764 11.748 4.049 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.391 11.462 6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.191 12.574 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.818 11.054 5.499 1.00 0.00 H new ATOM 354 N ALA A 24 -3.332 9.028 6.385 1.00 0.00 N ATOM 355 CA ALA A 24 -3.289 7.598 6.129 1.00 0.00 C ATOM 356 C ALA A 24 -4.713 7.077 5.930 1.00 0.00 C ATOM 357 O ALA A 24 -4.908 5.933 5.521 1.00 0.00 O ATOM 358 CB ALA A 24 -2.567 6.895 7.281 1.00 0.00 C ATOM 0 H ALA A 24 -3.032 9.303 7.320 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.731 7.388 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.534 5.822 7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.551 7.280 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.101 7.081 8.213 1.00 0.00 H new ATOM 364 N ASN A 25 -5.673 7.941 6.227 1.00 0.00 N ATOM 365 CA ASN A 25 -7.074 7.582 6.085 1.00 0.00 C ATOM 366 C ASN A 25 -7.480 7.703 4.615 1.00 0.00 C ATOM 367 O ASN A 25 -8.065 6.779 4.051 1.00 0.00 O ATOM 368 CB ASN A 25 -7.967 8.518 6.902 1.00 0.00 C ATOM 369 CG ASN A 25 -8.976 7.724 7.735 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.625 6.917 8.579 1.00 0.00 O ATOM 371 ND2 ASN A 25 -10.246 7.998 7.451 1.00 0.00 N ATOM 0 H ASN A 25 -5.508 8.889 6.565 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.199 6.560 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.351 9.133 7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.496 9.197 6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.995 7.521 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.471 8.685 6.732 1.00 0.00 H new ATOM 378 N VAL A 26 -7.155 8.850 4.037 1.00 0.00 N ATOM 379 CA VAL A 26 -7.480 9.104 2.644 1.00 0.00 C ATOM 380 C VAL A 26 -6.498 8.344 1.750 1.00 0.00 C ATOM 381 O VAL A 26 -6.705 8.240 0.542 1.00 0.00 O ATOM 382 CB VAL A 26 -7.491 10.610 2.375 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.404 10.949 1.195 1.00 0.00 C ATOM 384 CG2 VAL A 26 -7.900 11.387 3.627 1.00 0.00 C ATOM 0 H VAL A 26 -6.670 9.614 4.508 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.481 8.739 2.412 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.477 10.911 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.394 12.026 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.048 10.437 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.421 10.626 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.900 12.455 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.899 11.080 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.193 11.181 4.430 1.00 0.00 H new ATOM 394 N ILE A 27 -5.449 7.832 2.377 1.00 0.00 N ATOM 395 CA ILE A 27 -4.434 7.085 1.654 1.00 0.00 C ATOM 396 C ILE A 27 -4.801 5.600 1.658 1.00 0.00 C ATOM 397 O ILE A 27 -5.180 5.048 0.626 1.00 0.00 O ATOM 398 CB ILE A 27 -3.045 7.377 2.224 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.671 8.848 2.030 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.998 6.435 1.627 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.523 9.249 2.958 1.00 0.00 C ATOM 0 H ILE A 27 -5.280 7.920 3.379 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.398 7.402 0.612 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.070 7.190 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.382 9.020 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.539 9.477 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.020 6.664 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.261 5.403 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.966 6.565 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.277 10.299 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.824 9.099 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.649 8.635 2.742 1.00 0.00 H new ATOM 413 N LYS A 28 -4.676 4.995 2.830 1.00 0.00 N ATOM 414 CA LYS A 28 -4.989 3.585 2.982 1.00 0.00 C ATOM 415 C LYS A 28 -6.244 3.255 2.170 1.00 0.00 C ATOM 416 O LYS A 28 -6.311 2.213 1.520 1.00 0.00 O ATOM 417 CB LYS A 28 -5.101 3.217 4.463 1.00 0.00 C ATOM 418 CG LYS A 28 -6.476 3.590 5.019 1.00 0.00 C ATOM 419 CD LYS A 28 -6.453 3.648 6.547 1.00 0.00 C ATOM 420 CE LYS A 28 -5.901 2.349 7.137 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.548 2.052 8.434 1.00 0.00 N ATOM 0 H LYS A 28 -4.362 5.456 3.684 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.181 2.971 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.932 2.148 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.324 3.732 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.784 4.556 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.215 2.859 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.841 4.489 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.461 3.823 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.071 1.526 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.823 2.434 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.161 1.167 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.364 2.830 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.574 1.950 8.295 1.00 0.00 H new ATOM 435 N LYS A 29 -7.207 4.163 2.235 1.00 0.00 N ATOM 436 CA LYS A 29 -8.456 3.982 1.515 1.00 0.00 C ATOM 437 C LYS A 29 -8.192 4.085 0.011 1.00 0.00 C ATOM 438 O LYS A 29 -8.585 3.205 -0.753 1.00 0.00 O ATOM 439 CB LYS A 29 -9.514 4.963 2.022 1.00 0.00 C ATOM 440 CG LYS A 29 -10.279 4.379 3.211 1.00 0.00 C ATOM 441 CD LYS A 29 -10.708 5.480 4.183 1.00 0.00 C ATOM 442 CE LYS A 29 -11.318 6.666 3.432 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.616 6.287 2.831 1.00 0.00 N ATOM 0 H LYS A 29 -7.147 5.026 2.775 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.862 2.988 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.037 5.898 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.211 5.200 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.158 3.842 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.652 3.655 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.434 5.082 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.847 5.815 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.458 7.504 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.634 7.001 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.024 7.108 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.471 5.513 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.266 5.973 3.579 1.00 0.00 H new ATOM 457 N ASP A 30 -7.528 5.167 -0.368 1.00 0.00 N ATOM 458 CA ASP A 30 -7.207 5.397 -1.766 1.00 0.00 C ATOM 459 C ASP A 30 -6.642 4.111 -2.373 1.00 0.00 C ATOM 460 O ASP A 30 -7.128 3.640 -3.400 1.00 0.00 O ATOM 461 CB ASP A 30 -6.150 6.493 -1.916 1.00 0.00 C ATOM 462 CG ASP A 30 -6.593 7.711 -2.730 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.331 7.497 -3.716 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.184 8.828 -2.347 1.00 0.00 O ATOM 0 H ASP A 30 -7.203 5.894 0.269 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.120 5.704 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.852 6.828 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.266 6.062 -2.386 1.00 0.00 H new ATOM 470 N PHE A 31 -5.625 3.579 -1.711 1.00 0.00 N ATOM 471 CA PHE A 31 -4.989 2.357 -2.173 1.00 0.00 C ATOM 472 C PHE A 31 -6.034 1.309 -2.564 1.00 0.00 C ATOM 473 O PHE A 31 -5.998 0.775 -3.671 1.00 0.00 O ATOM 474 CB PHE A 31 -4.156 1.818 -1.008 1.00 0.00 C ATOM 475 CG PHE A 31 -3.694 0.371 -1.190 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.576 -0.650 -1.020 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.402 0.106 -1.521 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.147 -1.994 -1.189 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.973 -1.237 -1.689 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.855 -2.259 -1.520 1.00 0.00 C ATOM 0 H PHE A 31 -5.226 3.972 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.376 2.565 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.281 2.454 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.743 1.889 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.602 -0.439 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.702 0.917 -1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.847 -2.805 -1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.947 -1.447 -1.951 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.529 -3.281 -1.649 1.00 0.00 H new ATOM 490 N ASP A 32 -6.940 1.047 -1.633 1.00 0.00 N ATOM 491 CA ASP A 32 -7.992 0.073 -1.866 1.00 0.00 C ATOM 492 C ASP A 32 -8.709 0.407 -3.176 1.00 0.00 C ATOM 493 O ASP A 32 -9.273 -0.475 -3.822 1.00 0.00 O ATOM 494 CB ASP A 32 -9.028 0.102 -0.741 1.00 0.00 C ATOM 495 CG ASP A 32 -10.191 -0.878 -0.907 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.902 -2.055 -1.213 1.00 0.00 O ATOM 497 OD2 ASP A 32 -11.343 -0.429 -0.725 1.00 0.00 O ATOM 0 H ASP A 32 -6.967 1.493 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.533 -0.915 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.524 -0.112 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.432 1.112 -0.665 1.00 0.00 H new ATOM 503 N ALA A 33 -8.663 1.683 -3.530 1.00 0.00 N ATOM 504 CA ALA A 33 -9.301 2.144 -4.752 1.00 0.00 C ATOM 505 C ALA A 33 -8.552 1.575 -5.959 1.00 0.00 C ATOM 506 O ALA A 33 -9.139 0.878 -6.785 1.00 0.00 O ATOM 507 CB ALA A 33 -9.342 3.674 -4.760 1.00 0.00 C ATOM 0 H ALA A 33 -8.194 2.412 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.330 1.789 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.820 4.020 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.909 4.027 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.326 4.065 -4.711 1.00 0.00 H new ATOM 513 N GLU A 34 -7.268 1.893 -6.023 1.00 0.00 N ATOM 514 CA GLU A 34 -6.433 1.422 -7.115 1.00 0.00 C ATOM 515 C GLU A 34 -5.882 0.030 -6.799 1.00 0.00 C ATOM 516 O GLU A 34 -4.855 -0.372 -7.343 1.00 0.00 O ATOM 517 CB GLU A 34 -5.300 2.408 -7.404 1.00 0.00 C ATOM 518 CG GLU A 34 -4.886 2.351 -8.876 1.00 0.00 C ATOM 519 CD GLU A 34 -6.089 2.580 -9.793 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.498 3.756 -9.909 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.571 1.575 -10.358 1.00 0.00 O ATOM 0 H GLU A 34 -6.785 2.472 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.047 1.353 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.620 3.419 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.442 2.177 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.125 3.106 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.437 1.382 -9.094 1.00 0.00 H new ATOM 529 N CYS A 35 -6.589 -0.666 -5.921 1.00 0.00 N ATOM 530 CA CYS A 35 -6.183 -2.004 -5.527 1.00 0.00 C ATOM 531 C CYS A 35 -7.319 -2.971 -5.865 1.00 0.00 C ATOM 532 O CYS A 35 -7.097 -3.994 -6.510 1.00 0.00 O ATOM 533 CB CYS A 35 -5.803 -2.067 -4.046 1.00 0.00 C ATOM 534 SG CYS A 35 -4.891 -3.574 -3.550 1.00 0.00 S ATOM 0 H CYS A 35 -7.440 -0.329 -5.472 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.287 -2.291 -6.078 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.195 -1.195 -3.804 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.712 -1.997 -3.449 1.00 0.00 H new ATOM 539 N LYS A 36 -8.512 -2.612 -5.415 1.00 0.00 N ATOM 540 CA LYS A 36 -9.684 -3.435 -5.662 1.00 0.00 C ATOM 541 C LYS A 36 -9.963 -3.479 -7.166 1.00 0.00 C ATOM 542 O LYS A 36 -10.043 -4.556 -7.754 1.00 0.00 O ATOM 543 CB LYS A 36 -10.870 -2.941 -4.831 1.00 0.00 C ATOM 544 CG LYS A 36 -11.001 -3.741 -3.533 1.00 0.00 C ATOM 545 CD LYS A 36 -12.335 -3.451 -2.842 1.00 0.00 C ATOM 546 CE LYS A 36 -13.400 -4.468 -3.258 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.754 -3.889 -3.113 1.00 0.00 N ATOM 0 H LYS A 36 -8.693 -1.762 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.504 -4.461 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.741 -1.884 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.788 -3.030 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.923 -4.807 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.178 -3.491 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.202 -3.480 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.669 -2.445 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.237 -4.772 -4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.314 -5.365 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.465 -4.592 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.912 -3.621 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.838 -3.046 -3.717 1.00 0.00 H new ATOM 561 N LYS A 37 -10.104 -2.295 -7.744 1.00 0.00 N ATOM 562 CA LYS A 37 -10.373 -2.185 -9.168 1.00 0.00 C ATOM 563 C LYS A 37 -9.185 -2.746 -9.951 1.00 0.00 C ATOM 564 O LYS A 37 -9.367 -3.498 -10.908 1.00 0.00 O ATOM 565 CB LYS A 37 -10.726 -0.742 -9.536 1.00 0.00 C ATOM 566 CG LYS A 37 -11.972 -0.273 -8.782 1.00 0.00 C ATOM 567 CD LYS A 37 -12.956 0.419 -9.727 1.00 0.00 C ATOM 568 CE LYS A 37 -14.356 -0.184 -9.597 1.00 0.00 C ATOM 569 NZ LYS A 37 -15.327 0.848 -9.166 1.00 0.00 N ATOM 0 H LYS A 37 -10.037 -1.404 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.244 -2.781 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.887 -0.087 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.897 -0.668 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.457 -1.126 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.683 0.413 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.993 1.485 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.608 0.322 -10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.666 -0.607 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.341 -1.001 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.272 0.422 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.038 1.233 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.353 1.615 -9.868 1.00 0.00 H new ATOM 583 N LEU A 38 -7.994 -2.360 -9.516 1.00 0.00 N ATOM 584 CA LEU A 38 -6.776 -2.816 -10.165 1.00 0.00 C ATOM 585 C LEU A 38 -6.684 -4.339 -10.054 1.00 0.00 C ATOM 586 O LEU A 38 -6.613 -5.036 -11.065 1.00 0.00 O ATOM 587 CB LEU A 38 -5.560 -2.083 -9.597 1.00 0.00 C ATOM 588 CG LEU A 38 -4.252 -2.876 -9.567 1.00 0.00 C ATOM 589 CD1 LEU A 38 -3.962 -3.507 -10.930 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.093 -2.004 -9.081 1.00 0.00 C ATOM 0 H LEU A 38 -7.847 -1.737 -8.722 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.797 -2.574 -11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.400 -1.178 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.793 -1.767 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.363 -3.691 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.027 -4.065 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.774 -4.183 -11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.878 -2.724 -11.683 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.175 -2.592 -9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.971 -1.154 -9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.306 -1.644 -8.075 1.00 0.00 H new ATOM 602 N PHE A 39 -6.687 -4.811 -8.816 1.00 0.00 N ATOM 603 CA PHE A 39 -6.605 -6.239 -8.559 1.00 0.00 C ATOM 604 C PHE A 39 -7.998 -6.845 -8.377 1.00 0.00 C ATOM 605 O PHE A 39 -8.178 -7.768 -7.583 1.00 0.00 O ATOM 606 CB PHE A 39 -5.811 -6.415 -7.263 1.00 0.00 C ATOM 607 CG PHE A 39 -4.444 -5.728 -7.272 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.428 -6.245 -8.013 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.246 -4.600 -6.538 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.159 -5.607 -8.021 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.977 -3.962 -6.546 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.961 -4.479 -7.287 1.00 0.00 C ATOM 0 H PHE A 39 -6.745 -4.230 -7.980 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.128 -6.742 -9.400 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.398 -6.022 -6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.670 -7.480 -7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.586 -7.141 -8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.053 -4.190 -5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.352 -6.017 -8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.819 -3.066 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.996 -3.994 -7.293 1.00 0.00 H new ATOM 622 N HIS A 40 -8.947 -6.302 -9.125 1.00 0.00 N ATOM 623 CA HIS A 40 -10.318 -6.778 -9.056 1.00 0.00 C ATOM 624 C HIS A 40 -10.402 -8.189 -9.639 1.00 0.00 C ATOM 625 O HIS A 40 -11.115 -9.042 -9.112 1.00 0.00 O ATOM 626 CB HIS A 40 -11.269 -5.795 -9.742 1.00 0.00 C ATOM 627 CG HIS A 40 -12.342 -6.458 -10.573 1.00 0.00 C ATOM 628 ND1 HIS A 40 -13.053 -7.562 -10.136 1.00 0.00 N ATOM 629 CD2 HIS A 40 -12.817 -6.160 -11.816 1.00 0.00 C ATOM 630 CE1 HIS A 40 -13.914 -7.905 -11.083 1.00 0.00 C ATOM 631 NE2 HIS A 40 -13.766 -7.036 -12.123 1.00 0.00 N ATOM 0 H HIS A 40 -8.794 -5.537 -9.782 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.635 -6.834 -8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.744 -5.174 -8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.689 -5.129 -10.381 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.934 -8.031 -9.238 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.479 -5.349 -12.444 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.611 -8.729 -11.039 1.00 0.00 H new ATOM 640 N THR A 41 -9.662 -8.393 -10.720 1.00 0.00 N ATOM 641 CA THR A 41 -9.644 -9.687 -11.381 1.00 0.00 C ATOM 642 C THR A 41 -8.526 -10.562 -10.810 1.00 0.00 C ATOM 643 O THR A 41 -7.744 -11.144 -11.559 1.00 0.00 O ATOM 644 CB THR A 41 -9.518 -9.447 -12.887 1.00 0.00 C ATOM 645 OG1 THR A 41 -8.133 -9.175 -13.080 1.00 0.00 O ATOM 646 CG2 THR A 41 -10.217 -8.161 -13.335 1.00 0.00 C ATOM 0 H THR A 41 -9.071 -7.684 -11.154 1.00 0.00 H new ATOM 0 HA THR A 41 -10.568 -10.236 -11.201 1.00 0.00 H new ATOM 0 HB THR A 41 -9.938 -10.296 -13.427 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.613 -9.986 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.098 -8.038 -14.411 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.278 -8.220 -13.092 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.774 -7.308 -12.821 1.00 0.00 H new ATOM 654 N ILE A 42 -8.487 -10.627 -9.487 1.00 0.00 N ATOM 655 CA ILE A 42 -7.478 -11.420 -8.806 1.00 0.00 C ATOM 656 C ILE A 42 -8.154 -12.312 -7.763 1.00 0.00 C ATOM 657 O ILE A 42 -9.082 -11.880 -7.080 1.00 0.00 O ATOM 658 CB ILE A 42 -6.386 -10.518 -8.228 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.988 -9.430 -9.228 1.00 0.00 C ATOM 660 CG2 ILE A 42 -5.181 -11.341 -7.767 1.00 0.00 C ATOM 661 CD1 ILE A 42 -4.916 -9.938 -10.194 1.00 0.00 C ATOM 0 H ILE A 42 -9.138 -10.143 -8.869 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.973 -12.080 -9.512 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.788 -10.016 -7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.865 -9.109 -9.789 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.615 -8.557 -8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.420 -10.675 -7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.495 -12.046 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.769 -11.889 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.652 -9.145 -10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.031 -10.236 -9.632 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.301 -10.796 -10.746 1.00 0.00 H new ATOM 673 N PRO A 43 -7.651 -13.572 -7.671 1.00 0.00 N ATOM 674 CA PRO A 43 -8.197 -14.528 -6.723 1.00 0.00 C ATOM 675 C PRO A 43 -7.745 -14.206 -5.297 1.00 0.00 C ATOM 676 O PRO A 43 -7.935 -15.009 -4.385 1.00 0.00 O ATOM 677 CB PRO A 43 -7.711 -15.884 -7.207 1.00 0.00 C ATOM 678 CG PRO A 43 -6.536 -15.601 -8.130 1.00 0.00 C ATOM 679 CD PRO A 43 -6.553 -14.118 -8.463 1.00 0.00 C ATOM 0 HA PRO A 43 -9.286 -14.502 -6.680 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.407 -16.512 -6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.502 -16.417 -7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.597 -15.873 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.612 -16.197 -9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.606 -13.644 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.713 -13.953 -9.528 1.00 0.00 H new ATOM 687 N PHE A 44 -7.155 -13.028 -5.149 1.00 0.00 N ATOM 688 CA PHE A 44 -6.674 -12.590 -3.850 1.00 0.00 C ATOM 689 C PHE A 44 -6.168 -11.147 -3.911 1.00 0.00 C ATOM 690 O PHE A 44 -5.153 -10.815 -3.302 1.00 0.00 O ATOM 691 CB PHE A 44 -5.512 -13.509 -3.470 1.00 0.00 C ATOM 692 CG PHE A 44 -4.696 -14.008 -4.664 1.00 0.00 C ATOM 693 CD1 PHE A 44 -4.049 -13.119 -5.465 1.00 0.00 C ATOM 694 CD2 PHE A 44 -4.618 -15.341 -4.925 1.00 0.00 C ATOM 695 CE1 PHE A 44 -3.292 -13.583 -6.573 1.00 0.00 C ATOM 696 CE2 PHE A 44 -3.861 -15.804 -6.034 1.00 0.00 C ATOM 697 CZ PHE A 44 -3.214 -14.915 -6.834 1.00 0.00 C ATOM 0 H PHE A 44 -6.999 -12.364 -5.907 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.482 -12.633 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.850 -12.977 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.905 -14.369 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.111 -12.061 -5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.132 -16.047 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.778 -12.877 -7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.799 -16.862 -6.242 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.638 -15.267 -7.677 1.00 0.00 H new ATOM 707 N GLY A 45 -6.901 -10.328 -4.652 1.00 0.00 N ATOM 708 CA GLY A 45 -6.539 -8.929 -4.800 1.00 0.00 C ATOM 709 C GLY A 45 -7.212 -8.072 -3.726 1.00 0.00 C ATOM 710 O GLY A 45 -6.552 -7.598 -2.802 1.00 0.00 O ATOM 0 H GLY A 45 -7.743 -10.607 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.457 -8.821 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.833 -8.576 -5.789 1.00 0.00 H new ATOM 714 N THR A 46 -8.516 -7.899 -3.883 1.00 0.00 N ATOM 715 CA THR A 46 -9.285 -7.107 -2.938 1.00 0.00 C ATOM 716 C THR A 46 -9.036 -7.593 -1.508 1.00 0.00 C ATOM 717 O THR A 46 -8.990 -6.792 -0.576 1.00 0.00 O ATOM 718 CB THR A 46 -10.756 -7.171 -3.354 1.00 0.00 C ATOM 719 OG1 THR A 46 -11.108 -8.540 -3.172 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.951 -6.931 -4.852 1.00 0.00 C ATOM 0 H THR A 46 -9.060 -8.294 -4.650 1.00 0.00 H new ATOM 0 HA THR A 46 -8.974 -6.062 -2.952 1.00 0.00 H new ATOM 0 HB THR A 46 -11.326 -6.432 -2.791 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.048 -8.672 -3.417 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.012 -6.987 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.570 -5.944 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.409 -7.691 -5.416 1.00 0.00 H new ATOM 728 N ARG A 47 -8.882 -8.903 -1.381 1.00 0.00 N ATOM 729 CA ARG A 47 -8.639 -9.505 -0.081 1.00 0.00 C ATOM 730 C ARG A 47 -7.328 -8.982 0.509 1.00 0.00 C ATOM 731 O ARG A 47 -7.313 -8.438 1.612 1.00 0.00 O ATOM 732 CB ARG A 47 -8.571 -11.030 -0.185 1.00 0.00 C ATOM 733 CG ARG A 47 -9.835 -11.592 -0.838 1.00 0.00 C ATOM 734 CD ARG A 47 -11.063 -11.342 0.039 1.00 0.00 C ATOM 735 NE ARG A 47 -11.546 -12.620 0.609 1.00 0.00 N ATOM 736 CZ ARG A 47 -12.793 -12.818 1.060 1.00 0.00 C ATOM 737 NH1 ARG A 47 -13.689 -11.823 1.010 1.00 0.00 N ATOM 738 NH2 ARG A 47 -13.143 -14.010 1.560 1.00 0.00 N ATOM 0 H ARG A 47 -8.921 -9.564 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.469 -9.233 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.697 -11.320 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.449 -11.461 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.981 -11.129 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.716 -12.662 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.812 -10.648 0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.852 -10.876 -0.550 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.889 -13.399 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.422 -10.915 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.638 -11.973 1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.461 -14.767 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.092 -14.160 1.903 1.00 0.00 H new ATOM 752 N GLU A 48 -6.259 -9.165 -0.252 1.00 0.00 N ATOM 753 CA GLU A 48 -4.946 -8.718 0.183 1.00 0.00 C ATOM 754 C GLU A 48 -4.937 -7.199 0.369 1.00 0.00 C ATOM 755 O GLU A 48 -4.168 -6.673 1.172 1.00 0.00 O ATOM 756 CB GLU A 48 -3.863 -9.155 -0.806 1.00 0.00 C ATOM 757 CG GLU A 48 -2.693 -9.819 -0.078 1.00 0.00 C ATOM 758 CD GLU A 48 -2.382 -9.096 1.234 1.00 0.00 C ATOM 759 OE1 GLU A 48 -1.972 -7.918 1.150 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.561 -9.738 2.292 1.00 0.00 O ATOM 0 H GLU A 48 -6.275 -9.616 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.725 -9.184 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.286 -9.850 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.505 -8.290 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.932 -10.863 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.811 -9.813 -0.719 1.00 0.00 H new ATOM 768 N CYS A 49 -5.801 -6.537 -0.387 1.00 0.00 N ATOM 769 CA CYS A 49 -5.902 -5.090 -0.315 1.00 0.00 C ATOM 770 C CYS A 49 -6.307 -4.706 1.110 1.00 0.00 C ATOM 771 O CYS A 49 -5.590 -3.969 1.785 1.00 0.00 O ATOM 772 CB CYS A 49 -6.881 -4.539 -1.354 1.00 0.00 C ATOM 773 SG CYS A 49 -6.400 -4.836 -3.095 1.00 0.00 S ATOM 0 H CYS A 49 -6.437 -6.977 -1.052 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.936 -4.644 -0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.861 -4.984 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.987 -3.465 -1.199 1.00 0.00 H new ATOM 778 N ASP A 50 -7.454 -5.224 1.525 1.00 0.00 N ATOM 779 CA ASP A 50 -7.962 -4.945 2.857 1.00 0.00 C ATOM 780 C ASP A 50 -7.009 -5.539 3.896 1.00 0.00 C ATOM 781 O ASP A 50 -7.125 -5.250 5.086 1.00 0.00 O ATOM 782 CB ASP A 50 -9.340 -5.576 3.064 1.00 0.00 C ATOM 783 CG ASP A 50 -10.383 -4.657 3.702 1.00 0.00 C ATOM 784 OD1 ASP A 50 -9.957 -3.735 4.431 1.00 0.00 O ATOM 785 OD2 ASP A 50 -11.583 -4.897 3.448 1.00 0.00 O ATOM 0 H ASP A 50 -8.046 -5.835 0.962 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.040 -3.864 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.717 -5.913 2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.227 -6.462 3.689 1.00 0.00 H new ATOM 791 N HIS A 51 -6.089 -6.358 3.409 1.00 0.00 N ATOM 792 CA HIS A 51 -5.117 -6.995 4.281 1.00 0.00 C ATOM 793 C HIS A 51 -3.796 -6.225 4.227 1.00 0.00 C ATOM 794 O HIS A 51 -2.829 -6.596 4.890 1.00 0.00 O ATOM 795 CB HIS A 51 -4.955 -8.474 3.925 1.00 0.00 C ATOM 796 CG HIS A 51 -6.258 -9.233 3.847 1.00 0.00 C ATOM 797 ND1 HIS A 51 -7.515 -8.890 4.251 1.00 0.00 N flip ATOM 798 CD2 HIS A 51 -6.356 -10.501 3.301 1.00 0.00 C flip ATOM 799 CE1 HIS A 51 -8.336 -9.893 3.966 1.00 0.00 C flip ATOM 800 NE2 HIS A 51 -7.619 -10.894 3.378 1.00 0.00 N flip ATOM 0 H HIS A 51 -5.996 -6.595 2.421 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.473 -6.965 5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.443 -8.552 2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.314 -8.948 4.668 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.541 -11.073 2.883 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.397 -9.914 4.166 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.990 -11.787 3.055 1.00 0.00 H new ATOM 809 N TYR A 52 -3.798 -5.165 3.431 1.00 0.00 N ATOM 810 CA TYR A 52 -2.613 -4.339 3.281 1.00 0.00 C ATOM 811 C TYR A 52 -2.825 -2.957 3.903 1.00 0.00 C ATOM 812 O TYR A 52 -1.987 -2.481 4.666 1.00 0.00 O ATOM 813 CB TYR A 52 -2.397 -4.180 1.775 1.00 0.00 C ATOM 814 CG TYR A 52 -0.975 -3.765 1.391 1.00 0.00 C ATOM 815 CD1 TYR A 52 0.084 -4.611 1.649 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.752 -2.545 0.785 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.422 -4.220 1.287 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.586 -2.154 0.423 1.00 0.00 C ATOM 819 CZ TYR A 52 1.607 -3.011 0.692 1.00 0.00 C ATOM 820 OH TYR A 52 2.871 -2.643 0.351 1.00 0.00 O ATOM 0 H TYR A 52 -4.602 -4.860 2.883 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.760 -4.799 3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.635 -5.123 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.097 -3.436 1.394 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.090 -5.566 2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.581 -1.883 0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.260 -4.872 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.774 -1.202 -0.051 1.00 0.00 H new ATOM 0 HH TYR A 52 3.430 -3.442 0.255 1.00 0.00 H new ATOM 830 N VAL A 53 -3.951 -2.353 3.553 1.00 0.00 N ATOM 831 CA VAL A 53 -4.284 -1.036 4.067 1.00 0.00 C ATOM 832 C VAL A 53 -4.778 -1.165 5.509 1.00 0.00 C ATOM 833 O VAL A 53 -5.860 -0.685 5.844 1.00 0.00 O ATOM 834 CB VAL A 53 -5.300 -0.356 3.146 1.00 0.00 C ATOM 835 CG1 VAL A 53 -4.996 -0.658 1.677 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.729 -0.769 3.506 1.00 0.00 C ATOM 0 H VAL A 53 -4.644 -2.752 2.920 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.400 -0.398 4.082 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.216 0.721 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.732 -0.163 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.000 -0.292 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.039 -1.734 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.431 -0.272 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.832 -1.849 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.943 -0.481 4.535 1.00 0.00 H new ATOM 846 N ASN A 54 -3.962 -1.817 6.324 1.00 0.00 N ATOM 847 CA ASN A 54 -4.302 -2.017 7.723 1.00 0.00 C ATOM 848 C ASN A 54 -3.235 -2.892 8.383 1.00 0.00 C ATOM 849 O ASN A 54 -3.553 -3.750 9.205 1.00 0.00 O ATOM 850 CB ASN A 54 -5.650 -2.725 7.866 1.00 0.00 C ATOM 851 CG ASN A 54 -6.042 -2.865 9.338 1.00 0.00 C ATOM 852 OD1 ASN A 54 -6.107 -3.952 9.890 1.00 0.00 O ATOM 853 ND2 ASN A 54 -6.300 -1.708 9.942 1.00 0.00 N ATOM 0 H ASN A 54 -3.066 -2.214 6.042 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.357 -1.038 8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.418 -2.164 7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.598 -3.711 7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.571 -1.695 10.925 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.227 -0.834 9.422 1.00 0.00 H new ATOM 860 N SER A 55 -1.991 -2.645 7.998 1.00 0.00 N ATOM 861 CA SER A 55 -0.876 -3.401 8.543 1.00 0.00 C ATOM 862 C SER A 55 0.417 -3.021 7.818 1.00 0.00 C ATOM 863 O SER A 55 1.469 -2.893 8.443 1.00 0.00 O ATOM 864 CB SER A 55 -1.124 -4.906 8.432 1.00 0.00 C ATOM 865 OG SER A 55 -2.084 -5.216 7.426 1.00 0.00 O ATOM 0 H SER A 55 -1.731 -1.933 7.316 1.00 0.00 H new ATOM 0 HA SER A 55 -0.779 -3.154 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.186 -5.412 8.206 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.469 -5.288 9.393 1.00 0.00 H new ATOM 0 HG SER A 55 -2.213 -6.187 7.385 1.00 0.00 H new ATOM 871 N LYS A 56 0.296 -2.850 6.510 1.00 0.00 N ATOM 872 CA LYS A 56 1.442 -2.488 5.693 1.00 0.00 C ATOM 873 C LYS A 56 1.322 -1.020 5.277 1.00 0.00 C ATOM 874 O LYS A 56 2.170 -0.507 4.549 1.00 0.00 O ATOM 875 CB LYS A 56 1.587 -3.452 4.514 1.00 0.00 C ATOM 876 CG LYS A 56 1.843 -4.879 5.002 1.00 0.00 C ATOM 877 CD LYS A 56 0.539 -5.676 5.077 1.00 0.00 C ATOM 878 CE LYS A 56 0.810 -7.138 5.435 1.00 0.00 C ATOM 879 NZ LYS A 56 0.545 -8.014 4.272 1.00 0.00 N ATOM 0 H LYS A 56 -0.578 -2.955 5.995 1.00 0.00 H new ATOM 0 HA LYS A 56 2.364 -2.583 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.682 -3.428 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.409 -3.129 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.540 -5.378 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.314 -4.852 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.121 -5.232 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.020 -5.622 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.845 -7.254 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.180 -7.436 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.734 -9.003 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.449 -7.916 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.164 -7.740 3.482 1.00 0.00 H new ATOM 893 N VAL A 57 0.261 -0.387 5.756 1.00 0.00 N ATOM 894 CA VAL A 57 0.019 1.011 5.442 1.00 0.00 C ATOM 895 C VAL A 57 0.498 1.880 6.606 1.00 0.00 C ATOM 896 O VAL A 57 0.777 3.065 6.426 1.00 0.00 O ATOM 897 CB VAL A 57 -1.459 1.223 5.106 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.058 2.346 5.955 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.647 1.503 3.614 1.00 0.00 C ATOM 0 H VAL A 57 -0.441 -0.816 6.359 1.00 0.00 H new ATOM 0 HA VAL A 57 0.585 1.309 4.559 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.993 0.303 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.109 2.476 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.973 2.089 7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.519 3.274 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.706 1.650 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.094 2.401 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.275 0.657 3.035 1.00 0.00 H new ATOM 909 N ASP A 58 0.580 1.259 7.773 1.00 0.00 N ATOM 910 CA ASP A 58 1.021 1.962 8.966 1.00 0.00 C ATOM 911 C ASP A 58 2.548 2.060 8.959 1.00 0.00 C ATOM 912 O ASP A 58 3.108 3.107 9.279 1.00 0.00 O ATOM 913 CB ASP A 58 0.601 1.214 10.233 1.00 0.00 C ATOM 914 CG ASP A 58 -0.468 1.916 11.073 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.139 2.985 11.632 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.589 1.367 11.139 1.00 0.00 O ATOM 0 H ASP A 58 0.348 0.276 7.918 1.00 0.00 H new ATOM 0 HA ASP A 58 0.564 2.951 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.230 0.229 9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.483 1.056 10.853 1.00 0.00 H new ATOM 922 N PRO A 59 3.195 0.925 8.582 1.00 0.00 N ATOM 923 CA PRO A 59 4.646 0.873 8.530 1.00 0.00 C ATOM 924 C PRO A 59 5.178 1.623 7.307 1.00 0.00 C ATOM 925 O PRO A 59 6.027 2.504 7.436 1.00 0.00 O ATOM 926 CB PRO A 59 4.987 -0.609 8.512 1.00 0.00 C ATOM 927 CG PRO A 59 3.714 -1.323 8.086 1.00 0.00 C ATOM 928 CD PRO A 59 2.565 -0.335 8.197 1.00 0.00 C ATOM 0 HA PRO A 59 5.115 1.366 9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.801 -0.814 7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.314 -0.947 9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.806 -1.688 7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.533 -2.191 8.720 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.033 -0.239 7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.836 -0.657 8.941 1.00 0.00 H new ATOM 936 N ILE A 60 4.657 1.247 6.149 1.00 0.00 N ATOM 937 CA ILE A 60 5.068 1.874 4.904 1.00 0.00 C ATOM 938 C ILE A 60 5.073 3.394 5.081 1.00 0.00 C ATOM 939 O ILE A 60 6.076 4.051 4.807 1.00 0.00 O ATOM 940 CB ILE A 60 4.192 1.392 3.746 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.579 -0.026 3.320 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.240 2.376 2.576 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.781 -0.466 2.091 1.00 0.00 C ATOM 0 H ILE A 60 3.953 0.516 6.046 1.00 0.00 H new ATOM 0 HA ILE A 60 6.085 1.579 4.647 1.00 0.00 H new ATOM 0 HB ILE A 60 3.159 1.354 4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.646 -0.065 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.399 -0.719 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.609 2.010 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.879 3.350 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.266 2.470 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.075 -1.477 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.716 -0.449 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.982 0.215 1.264 1.00 0.00 H new ATOM 955 N ILE A 61 3.940 3.908 5.537 1.00 0.00 N ATOM 956 CA ILE A 61 3.801 5.338 5.753 1.00 0.00 C ATOM 957 C ILE A 61 4.791 5.785 6.830 1.00 0.00 C ATOM 958 O ILE A 61 5.148 6.960 6.900 1.00 0.00 O ATOM 959 CB ILE A 61 2.346 5.693 6.070 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.405 5.164 4.986 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.184 7.199 6.285 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.058 5.398 5.369 1.00 0.00 C ATOM 0 H ILE A 61 3.110 3.360 5.763 1.00 0.00 H new ATOM 0 HA ILE A 61 4.048 5.886 4.844 1.00 0.00 H new ATOM 0 HB ILE A 61 2.070 5.203 7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.620 5.659 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.580 4.099 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.141 7.425 6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.811 7.517 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.484 7.730 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.706 5.013 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.276 4.882 6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.235 6.466 5.495 1.00 0.00 H new ATOM 974 N HIS A 62 5.207 4.825 7.642 1.00 0.00 N ATOM 975 CA HIS A 62 6.149 5.105 8.712 1.00 0.00 C ATOM 976 C HIS A 62 7.532 5.383 8.119 1.00 0.00 C ATOM 977 O HIS A 62 8.382 5.987 8.772 1.00 0.00 O ATOM 978 CB HIS A 62 6.162 3.970 9.737 1.00 0.00 C ATOM 979 CG HIS A 62 7.361 3.059 9.631 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.162 2.760 8.567 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.853 2.338 10.705 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.092 1.903 8.970 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.902 1.640 10.295 1.00 0.00 N flip ATOM 0 H HIS A 62 4.909 3.852 7.580 1.00 0.00 H new ATOM 0 HA HIS A 62 5.836 5.999 9.251 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.132 4.399 10.739 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.256 3.376 9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.450 2.343 11.707 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.871 1.483 8.351 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.468 1.016 10.869 1.00 0.00 H new ATOM 992 N GLU A 63 7.714 4.930 6.887 1.00 0.00 N ATOM 993 CA GLU A 63 8.979 5.122 6.198 1.00 0.00 C ATOM 994 C GLU A 63 8.988 6.469 5.472 1.00 0.00 C ATOM 995 O GLU A 63 9.963 7.214 5.553 1.00 0.00 O ATOM 996 CB GLU A 63 9.254 3.973 5.226 1.00 0.00 C ATOM 997 CG GLU A 63 10.110 2.890 5.885 1.00 0.00 C ATOM 998 CD GLU A 63 9.438 1.520 5.781 1.00 0.00 C ATOM 999 OE1 GLU A 63 8.482 1.297 6.554 1.00 0.00 O ATOM 1000 OE2 GLU A 63 9.896 0.726 4.930 1.00 0.00 O ATOM 0 H GLU A 63 7.006 4.431 6.348 1.00 0.00 H new ATOM 0 HA GLU A 63 9.778 5.125 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.311 3.542 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.762 4.355 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.089 2.856 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.275 3.139 6.933 1.00 0.00 H new ATOM 1008 N LEU A 64 7.892 6.739 4.779 1.00 0.00 N ATOM 1009 CA LEU A 64 7.762 7.983 4.040 1.00 0.00 C ATOM 1010 C LEU A 64 7.735 9.156 5.022 1.00 0.00 C ATOM 1011 O LEU A 64 8.240 10.236 4.720 1.00 0.00 O ATOM 1012 CB LEU A 64 6.546 7.930 3.112 1.00 0.00 C ATOM 1013 CG LEU A 64 6.415 6.674 2.249 1.00 0.00 C ATOM 1014 CD1 LEU A 64 5.009 6.560 1.656 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.498 6.634 1.170 1.00 0.00 C ATOM 0 H LEU A 64 7.086 6.118 4.714 1.00 0.00 H new ATOM 0 HA LEU A 64 8.625 8.131 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.646 8.025 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.579 8.798 2.453 1.00 0.00 H new ATOM 0 HG LEU A 64 6.566 5.804 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.943 5.658 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.277 6.508 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.804 7.433 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.382 5.731 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.404 7.510 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.481 6.633 1.641 1.00 0.00 H new ATOM 1027 N GLU A 65 7.141 8.903 6.179 1.00 0.00 N ATOM 1028 CA GLU A 65 7.042 9.924 7.208 1.00 0.00 C ATOM 1029 C GLU A 65 8.424 10.229 7.789 1.00 0.00 C ATOM 1030 O GLU A 65 8.767 11.390 8.007 1.00 0.00 O ATOM 1031 CB GLU A 65 6.067 9.500 8.309 1.00 0.00 C ATOM 1032 CG GLU A 65 4.630 9.878 7.943 1.00 0.00 C ATOM 1033 CD GLU A 65 3.690 9.679 9.134 1.00 0.00 C ATOM 1034 OE1 GLU A 65 3.701 8.557 9.684 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.983 10.654 9.469 1.00 0.00 O ATOM 0 H GLU A 65 6.723 8.006 6.427 1.00 0.00 H new ATOM 0 HA GLU A 65 6.652 10.834 6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.135 8.423 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.344 9.977 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.595 10.918 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.293 9.270 7.104 1.00 0.00 H new ATOM 1043 N GLY A 66 9.181 9.166 8.021 1.00 0.00 N ATOM 1044 CA GLY A 66 10.518 9.306 8.572 1.00 0.00 C ATOM 1045 C GLY A 66 11.432 10.063 7.606 1.00 0.00 C ATOM 1046 O GLY A 66 12.198 10.931 8.023 1.00 0.00 O ATOM 0 H GLY A 66 8.894 8.205 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.470 9.836 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.936 8.320 8.777 1.00 0.00 H new ATOM 1050 N GLY A 67 11.321 9.707 6.335 1.00 0.00 N ATOM 1051 CA GLY A 67 12.128 10.342 5.307 1.00 0.00 C ATOM 1052 C GLY A 67 12.420 9.371 4.161 1.00 0.00 C ATOM 1053 O GLY A 67 12.794 9.791 3.067 1.00 0.00 O ATOM 0 H GLY A 67 10.684 8.987 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.608 11.219 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.065 10.692 5.740 1.00 0.00 H new ATOM 1057 N THR A 68 12.239 8.091 4.452 1.00 0.00 N ATOM 1058 CA THR A 68 12.478 7.057 3.460 1.00 0.00 C ATOM 1059 C THR A 68 11.674 7.341 2.190 1.00 0.00 C ATOM 1060 O THR A 68 10.577 7.894 2.255 1.00 0.00 O ATOM 1061 CB THR A 68 12.151 5.706 4.097 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.198 5.505 5.043 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.308 4.542 3.116 1.00 0.00 C ATOM 0 H THR A 68 11.930 7.747 5.361 1.00 0.00 H new ATOM 0 HA THR A 68 13.523 7.041 3.149 1.00 0.00 H new ATOM 0 HB THR A 68 11.130 5.724 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.063 4.651 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.064 3.607 3.619 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.635 4.686 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.337 4.504 2.759 1.00 0.00 H new ATOM 1071 N ALA A 69 12.250 6.948 1.063 1.00 0.00 N ATOM 1072 CA ALA A 69 11.600 7.153 -0.221 1.00 0.00 C ATOM 1073 C ALA A 69 10.591 6.029 -0.462 1.00 0.00 C ATOM 1074 O ALA A 69 10.659 4.981 0.178 1.00 0.00 O ATOM 1075 CB ALA A 69 12.659 7.232 -1.322 1.00 0.00 C ATOM 0 H ALA A 69 13.159 6.489 1.012 1.00 0.00 H new ATOM 0 HA ALA A 69 11.052 8.095 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.172 7.386 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.333 8.064 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.228 6.302 -1.347 1.00 0.00 H new ATOM 1081 N PRO A 70 9.653 6.293 -1.410 1.00 0.00 N ATOM 1082 CA PRO A 70 8.630 5.316 -1.744 1.00 0.00 C ATOM 1083 C PRO A 70 9.212 4.179 -2.586 1.00 0.00 C ATOM 1084 O PRO A 70 8.670 3.838 -3.636 1.00 0.00 O ATOM 1085 CB PRO A 70 7.555 6.105 -2.473 1.00 0.00 C ATOM 1086 CG PRO A 70 8.221 7.393 -2.930 1.00 0.00 C ATOM 1087 CD PRO A 70 9.541 7.523 -2.188 1.00 0.00 C ATOM 0 HA PRO A 70 8.216 4.823 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.167 5.543 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.711 6.314 -1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.388 7.375 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.580 8.249 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.376 7.630 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.547 8.401 -1.543 1.00 0.00 H new ATOM 1095 N LYS A 71 10.309 3.622 -2.093 1.00 0.00 N ATOM 1096 CA LYS A 71 10.971 2.530 -2.787 1.00 0.00 C ATOM 1097 C LYS A 71 11.717 1.663 -1.771 1.00 0.00 C ATOM 1098 O LYS A 71 11.644 0.437 -1.824 1.00 0.00 O ATOM 1099 CB LYS A 71 11.863 3.070 -3.907 1.00 0.00 C ATOM 1100 CG LYS A 71 11.082 3.198 -5.216 1.00 0.00 C ATOM 1101 CD LYS A 71 11.175 4.620 -5.773 1.00 0.00 C ATOM 1102 CE LYS A 71 10.522 5.626 -4.823 1.00 0.00 C ATOM 1103 NZ LYS A 71 10.881 7.010 -5.205 1.00 0.00 N ATOM 0 H LYS A 71 10.756 3.907 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 71 10.237 1.889 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.263 4.043 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.715 2.405 -4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.473 2.491 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.037 2.937 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.221 4.886 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.688 4.665 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.439 5.506 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.843 5.430 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.017 7.584 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.507 7.419 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.372 7.001 -6.122 1.00 0.00 H new ATOM 1117 N ASP A 72 12.417 2.335 -0.868 1.00 0.00 N ATOM 1118 CA ASP A 72 13.175 1.641 0.159 1.00 0.00 C ATOM 1119 C ASP A 72 12.250 1.305 1.330 1.00 0.00 C ATOM 1120 O ASP A 72 12.641 0.586 2.248 1.00 0.00 O ATOM 1121 CB ASP A 72 14.311 2.517 0.690 1.00 0.00 C ATOM 1122 CG ASP A 72 15.133 1.894 1.821 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.230 0.648 1.832 1.00 0.00 O ATOM 1124 OD2 ASP A 72 15.645 2.678 2.649 1.00 0.00 O ATOM 0 H ASP A 72 12.475 3.353 -0.827 1.00 0.00 H new ATOM 0 HA ASP A 72 13.593 0.736 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.981 2.758 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.889 3.458 1.043 1.00 0.00 H new ATOM 1130 N VAL A 73 11.040 1.842 1.260 1.00 0.00 N ATOM 1131 CA VAL A 73 10.056 1.608 2.304 1.00 0.00 C ATOM 1132 C VAL A 73 9.799 0.105 2.428 1.00 0.00 C ATOM 1133 O VAL A 73 10.497 -0.590 3.165 1.00 0.00 O ATOM 1134 CB VAL A 73 8.786 2.410 2.015 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.647 1.987 2.944 1.00 0.00 C ATOM 1136 CG2 VAL A 73 9.051 3.913 2.120 1.00 0.00 C ATOM 0 H VAL A 73 10.719 2.438 0.497 1.00 0.00 H new ATOM 0 HA VAL A 73 10.431 1.954 3.267 1.00 0.00 H new ATOM 0 HB VAL A 73 8.480 2.195 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.756 2.573 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.432 0.928 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.940 2.158 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.132 4.460 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.394 4.153 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.816 4.199 1.398 1.00 0.00 H new ATOM 1146 N CYS A 74 8.794 -0.354 1.695 1.00 0.00 N ATOM 1147 CA CYS A 74 8.436 -1.762 1.714 1.00 0.00 C ATOM 1148 C CYS A 74 9.699 -2.575 2.002 1.00 0.00 C ATOM 1149 O CYS A 74 9.715 -3.404 2.911 1.00 0.00 O ATOM 1150 CB CYS A 74 7.765 -2.192 0.408 1.00 0.00 C ATOM 1151 SG CYS A 74 8.069 -1.081 -1.013 1.00 0.00 S ATOM 0 H CYS A 74 8.217 0.225 1.085 1.00 0.00 H new ATOM 0 HA CYS A 74 7.702 -1.943 2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.112 -3.192 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.690 -2.261 0.574 1.00 0.00 H new ATOM 1156 N THR A 75 10.728 -2.311 1.210 1.00 0.00 N ATOM 1157 CA THR A 75 11.993 -3.008 1.368 1.00 0.00 C ATOM 1158 C THR A 75 12.385 -3.072 2.846 1.00 0.00 C ATOM 1159 O THR A 75 12.578 -4.156 3.394 1.00 0.00 O ATOM 1160 CB THR A 75 13.033 -2.305 0.494 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.527 -2.448 -0.831 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.371 -3.047 0.463 1.00 0.00 C ATOM 0 H THR A 75 10.711 -1.624 0.457 1.00 0.00 H new ATOM 0 HA THR A 75 11.918 -4.044 1.038 1.00 0.00 H new ATOM 0 HB THR A 75 13.189 -1.291 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.243 -1.573 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.073 -2.505 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.773 -3.114 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.221 -4.050 0.064 1.00 0.00 H new ATOM 1170 N LYS A 76 12.492 -1.897 3.449 1.00 0.00 N ATOM 1171 CA LYS A 76 12.858 -1.806 4.852 1.00 0.00 C ATOM 1172 C LYS A 76 12.000 -2.781 5.662 1.00 0.00 C ATOM 1173 O LYS A 76 12.504 -3.464 6.552 1.00 0.00 O ATOM 1174 CB LYS A 76 12.767 -0.358 5.337 1.00 0.00 C ATOM 1175 CG LYS A 76 14.000 0.024 6.157 1.00 0.00 C ATOM 1176 CD LYS A 76 14.043 1.532 6.413 1.00 0.00 C ATOM 1177 CE LYS A 76 15.164 1.890 7.391 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.602 2.302 8.697 1.00 0.00 N ATOM 0 H LYS A 76 12.332 -1.000 2.991 1.00 0.00 H new ATOM 0 HA LYS A 76 13.898 -2.100 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.674 0.311 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.869 -0.229 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.989 -0.510 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.902 -0.285 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.194 2.060 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.085 1.864 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.824 1.033 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.770 2.697 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.377 2.541 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.991 3.133 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.043 1.521 9.096 1.00 0.00 H new ATOM 1192 N LEU A 77 10.719 -2.813 5.325 1.00 0.00 N ATOM 1193 CA LEU A 77 9.787 -3.693 6.010 1.00 0.00 C ATOM 1194 C LEU A 77 9.728 -5.035 5.278 1.00 0.00 C ATOM 1195 O LEU A 77 8.673 -5.664 5.212 1.00 0.00 O ATOM 1196 CB LEU A 77 8.424 -3.015 6.162 1.00 0.00 C ATOM 1197 CG LEU A 77 8.441 -1.487 6.244 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.138 -0.895 5.702 1.00 0.00 C ATOM 1199 CD2 LEU A 77 8.733 -1.017 7.671 1.00 0.00 C ATOM 0 H LEU A 77 10.305 -2.244 4.587 1.00 0.00 H new ATOM 0 HA LEU A 77 10.131 -3.897 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.799 -3.307 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.946 -3.402 7.062 1.00 0.00 H new ATOM 0 HG LEU A 77 9.250 -1.120 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.176 0.192 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.011 -1.188 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.298 -1.267 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.739 0.073 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.962 -1.394 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.706 -1.394 7.986 1.00 0.00 H new ATOM 1211 N ASN A 78 10.875 -5.435 4.748 1.00 0.00 N ATOM 1212 CA ASN A 78 10.966 -6.692 4.024 1.00 0.00 C ATOM 1213 C ASN A 78 9.688 -6.901 3.211 1.00 0.00 C ATOM 1214 O ASN A 78 9.262 -8.035 2.997 1.00 0.00 O ATOM 1215 CB ASN A 78 11.113 -7.872 4.986 1.00 0.00 C ATOM 1216 CG ASN A 78 12.073 -8.922 4.424 1.00 0.00 C ATOM 1217 OD1 ASN A 78 12.505 -8.859 3.284 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.383 -9.888 5.284 1.00 0.00 N ATOM 0 H ASN A 78 11.748 -4.911 4.805 1.00 0.00 H new ATOM 0 HA ASN A 78 11.841 -6.645 3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.480 -7.517 5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.137 -8.324 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.018 -10.636 5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.986 -9.881 6.224 1.00 0.00 H new ATOM 1225 N GLU A 79 9.111 -5.789 2.778 1.00 0.00 N ATOM 1226 CA GLU A 79 7.889 -5.836 1.993 1.00 0.00 C ATOM 1227 C GLU A 79 8.220 -5.873 0.499 1.00 0.00 C ATOM 1228 O GLU A 79 7.539 -6.545 -0.275 1.00 0.00 O ATOM 1229 CB GLU A 79 6.978 -4.653 2.324 1.00 0.00 C ATOM 1230 CG GLU A 79 5.632 -5.133 2.869 1.00 0.00 C ATOM 1231 CD GLU A 79 4.612 -5.301 1.741 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.530 -4.373 0.907 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.938 -6.353 1.737 1.00 0.00 O ATOM 0 H GLU A 79 9.467 -4.850 2.956 1.00 0.00 H new ATOM 0 HA GLU A 79 7.350 -6.748 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.463 -4.010 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.818 -4.051 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.764 -6.082 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.256 -4.418 3.601 1.00 0.00 H new ATOM 1241 N CYS A 80 9.264 -5.142 0.139 1.00 0.00 N ATOM 1242 CA CYS A 80 9.693 -5.082 -1.248 1.00 0.00 C ATOM 1243 C CYS A 80 10.931 -5.967 -1.407 1.00 0.00 C ATOM 1244 O CYS A 80 11.838 -5.926 -0.577 1.00 0.00 O ATOM 1245 CB CYS A 80 9.959 -3.643 -1.697 1.00 0.00 C ATOM 1246 SG CYS A 80 8.526 -2.801 -2.461 1.00 0.00 S ATOM 0 H CYS A 80 9.826 -4.586 0.784 1.00 0.00 H new ATOM 0 HA CYS A 80 8.897 -5.453 -1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 80 10.286 -3.063 -0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.783 -3.646 -2.410 1.00 0.00 H new ATOM 1251 N PRO A 81 10.929 -6.766 -2.507 1.00 0.00 N ATOM 1252 CA PRO A 81 9.815 -6.753 -3.440 1.00 0.00 C ATOM 1253 C PRO A 81 8.606 -7.489 -2.860 1.00 0.00 C ATOM 1254 O PRO A 81 8.188 -8.518 -3.389 1.00 0.00 O ATOM 1255 CB PRO A 81 10.354 -7.400 -4.705 1.00 0.00 C ATOM 1256 CG PRO A 81 11.596 -8.169 -4.284 1.00 0.00 C ATOM 1257 CD PRO A 81 11.983 -7.701 -2.890 1.00 0.00 C ATOM 0 HA PRO A 81 9.451 -5.747 -3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.614 -8.066 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.596 -6.648 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.400 -9.241 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.411 -7.992 -4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.042 -8.538 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.960 -7.218 -2.892 1.00 0.00 H new