USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN : amide:sc= -0.018 X(o=-1,f=-1.4) USER MOD Set 1.2: A 80 MET CE :methyl -126:sc= -1.01 (180deg=-4.09!) USER MOD Set 2.1: A 41 CYS SG : rot 67:sc= -5.74! USER MOD Set 2.2: A 51 THR OG1 : rot 121:sc= 0.897 USER MOD Single : A 10 THR OG1 : rot -35:sc= 0.82 USER MOD Single : A 16 ASN : amide:sc= -2.55! K(o=-2.5!,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -113:sc= -2.51! USER MOD Single : A 50 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-2.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -105:sc= -0.472 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0.0567 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -2.06! USER MOD Single : A 70 ASN : amide:sc= -0.09 X(o=-0.09,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 -0.104 -14.743 -5.208 1.00 0.00 N ATOM 104 CA THR A 10 0.170 -13.329 -5.019 1.00 0.00 C ATOM 105 C THR A 10 -0.020 -12.569 -6.334 1.00 0.00 C ATOM 106 O THR A 10 0.193 -13.123 -7.411 1.00 0.00 O ATOM 107 CB THR A 10 1.578 -13.193 -4.437 1.00 0.00 C ATOM 108 OG1 THR A 10 2.332 -14.193 -5.115 1.00 0.00 O ATOM 109 CG2 THR A 10 1.646 -13.609 -2.966 1.00 0.00 C ATOM 0 HA THR A 10 -0.532 -12.881 -4.316 1.00 0.00 H new ATOM 0 HB THR A 10 1.914 -12.161 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.763 -14.973 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.667 -13.493 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.978 -12.979 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.342 -14.651 -2.868 1.00 0.00 H new ATOM 117 N VAL A 11 -0.418 -11.312 -6.202 1.00 0.00 N ATOM 118 CA VAL A 11 -0.638 -10.471 -7.366 1.00 0.00 C ATOM 119 C VAL A 11 0.449 -9.396 -7.426 1.00 0.00 C ATOM 120 O VAL A 11 0.985 -8.992 -6.396 1.00 0.00 O ATOM 121 CB VAL A 11 -2.053 -9.890 -7.331 1.00 0.00 C ATOM 122 CG1 VAL A 11 -3.103 -10.992 -7.488 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.286 -9.090 -6.047 1.00 0.00 C ATOM 0 H VAL A 11 -0.594 -10.856 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.565 -11.058 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.155 -9.207 -8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.100 -10.552 -7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.958 -11.500 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.001 -11.711 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.299 -8.688 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.155 -9.742 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.570 -8.270 -5.995 1.00 0.00 H new ATOM 133 N ARG A 12 0.741 -8.963 -8.644 1.00 0.00 N ATOM 134 CA ARG A 12 1.754 -7.943 -8.852 1.00 0.00 C ATOM 135 C ARG A 12 1.156 -6.550 -8.641 1.00 0.00 C ATOM 136 O ARG A 12 0.357 -6.085 -9.452 1.00 0.00 O ATOM 137 CB ARG A 12 2.342 -8.030 -10.262 1.00 0.00 C ATOM 138 CG ARG A 12 3.610 -8.886 -10.275 1.00 0.00 C ATOM 139 CD ARG A 12 4.294 -8.831 -11.643 1.00 0.00 C ATOM 140 NE ARG A 12 5.739 -9.118 -11.498 1.00 0.00 N ATOM 141 CZ ARG A 12 6.550 -9.424 -12.520 1.00 0.00 C ATOM 142 NH1 ARG A 12 6.063 -9.485 -13.767 1.00 0.00 N ATOM 143 NH2 ARG A 12 7.848 -9.669 -12.295 1.00 0.00 N ATOM 0 H ARG A 12 0.294 -9.300 -9.496 1.00 0.00 H new ATOM 0 HA ARG A 12 2.550 -8.114 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.604 -8.456 -10.942 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.571 -7.029 -10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.298 -8.535 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.359 -9.918 -10.031 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.837 -9.555 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.153 -7.847 -12.090 1.00 0.00 H new ATOM 0 HE ARG A 12 6.142 -9.081 -10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.075 -9.298 -13.938 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.680 -9.718 -14.545 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.219 -9.623 -11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.465 -9.902 -13.073 1.00 0.00 H new ATOM 157 N VAL A 13 1.567 -5.924 -7.548 1.00 0.00 N ATOM 158 CA VAL A 13 1.082 -4.594 -7.220 1.00 0.00 C ATOM 159 C VAL A 13 2.170 -3.567 -7.537 1.00 0.00 C ATOM 160 O VAL A 13 3.358 -3.845 -7.377 1.00 0.00 O ATOM 161 CB VAL A 13 0.624 -4.549 -5.761 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.313 -3.115 -5.328 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.582 -5.463 -5.536 1.00 0.00 C ATOM 0 H VAL A 13 2.231 -6.313 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 13 0.212 -4.344 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 13 1.443 -4.916 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.010 -3.111 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.208 -2.501 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.480 -2.709 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.887 -5.412 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.407 -5.140 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.312 -6.489 -5.786 1.00 0.00 H new ATOM 173 N VAL A 14 1.726 -2.400 -7.982 1.00 0.00 N ATOM 174 CA VAL A 14 2.648 -1.330 -8.324 1.00 0.00 C ATOM 175 C VAL A 14 2.724 -0.338 -7.161 1.00 0.00 C ATOM 176 O VAL A 14 1.706 0.206 -6.737 1.00 0.00 O ATOM 177 CB VAL A 14 2.225 -0.675 -9.640 1.00 0.00 C ATOM 178 CG1 VAL A 14 3.177 0.461 -10.018 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.135 -1.711 -10.763 1.00 0.00 C ATOM 0 H VAL A 14 0.740 -2.172 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 14 3.651 -1.726 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 14 1.233 -0.247 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.854 0.909 -10.957 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.170 1.218 -9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.187 0.067 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.832 -1.220 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.108 -2.181 -10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.400 -2.471 -10.499 1.00 0.00 H new ATOM 189 N ILE A 15 3.941 -0.134 -6.678 1.00 0.00 N ATOM 190 CA ILE A 15 4.163 0.782 -5.572 1.00 0.00 C ATOM 191 C ILE A 15 4.874 2.034 -6.089 1.00 0.00 C ATOM 192 O ILE A 15 6.100 2.062 -6.183 1.00 0.00 O ATOM 193 CB ILE A 15 4.905 0.079 -4.434 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.197 -1.218 -4.037 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.096 1.017 -3.241 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.857 -0.925 -3.358 1.00 0.00 C ATOM 0 H ILE A 15 4.783 -0.587 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 15 3.212 1.106 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 15 5.898 -0.193 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.034 -1.833 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.833 -1.792 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.626 0.492 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.676 1.886 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.122 1.342 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.374 -1.864 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.026 -0.330 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.215 -0.372 -4.044 1.00 0.00 H new ATOM 208 N ASN A 16 4.074 3.040 -6.410 1.00 0.00 N ATOM 209 CA ASN A 16 4.612 4.293 -6.915 1.00 0.00 C ATOM 210 C ASN A 16 4.991 5.192 -5.736 1.00 0.00 C ATOM 211 O ASN A 16 4.168 5.452 -4.860 1.00 0.00 O ATOM 212 CB ASN A 16 3.577 5.035 -7.762 1.00 0.00 C ATOM 213 CG ASN A 16 3.321 4.304 -9.081 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.882 4.623 -10.117 1.00 0.00 O ATOM 215 ND2 ASN A 16 2.446 3.307 -8.987 1.00 0.00 N ATOM 0 H ASN A 16 3.057 3.014 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 16 5.483 4.063 -7.529 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.644 5.126 -7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.927 6.047 -7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.209 2.757 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.012 3.092 -8.089 1.00 0.00 H new ATOM 222 N PHE A 17 6.237 5.641 -5.753 1.00 0.00 N ATOM 223 CA PHE A 17 6.735 6.505 -4.696 1.00 0.00 C ATOM 224 C PHE A 17 7.716 7.540 -5.251 1.00 0.00 C ATOM 225 O PHE A 17 8.195 7.406 -6.376 1.00 0.00 O ATOM 226 CB PHE A 17 7.469 5.610 -3.695 1.00 0.00 C ATOM 227 CG PHE A 17 8.798 5.056 -4.213 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.944 5.768 -4.043 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.833 3.851 -4.843 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.177 5.253 -4.523 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.066 3.337 -5.324 1.00 0.00 C ATOM 232 CZ PHE A 17 11.212 4.049 -5.154 1.00 0.00 C ATOM 0 H PHE A 17 6.917 5.423 -6.482 1.00 0.00 H new ATOM 0 HA PHE A 17 5.907 7.041 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.655 6.178 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.820 4.777 -3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.916 6.725 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.923 3.285 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.087 5.818 -4.387 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.094 2.381 -5.825 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.150 3.658 -5.520 1.00 0.00 H new ATOM 242 N LYS A 18 7.986 8.549 -4.436 1.00 0.00 N ATOM 243 CA LYS A 18 8.901 9.606 -4.831 1.00 0.00 C ATOM 244 C LYS A 18 8.254 10.449 -5.932 1.00 0.00 C ATOM 245 O LYS A 18 8.907 11.305 -6.527 1.00 0.00 O ATOM 246 CB LYS A 18 10.259 9.020 -5.223 1.00 0.00 C ATOM 247 CG LYS A 18 11.262 9.143 -4.074 1.00 0.00 C ATOM 248 CD LYS A 18 12.700 9.123 -4.597 1.00 0.00 C ATOM 249 CE LYS A 18 13.612 8.327 -3.661 1.00 0.00 C ATOM 250 NZ LYS A 18 14.775 9.146 -3.250 1.00 0.00 N ATOM 0 H LYS A 18 7.587 8.657 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 18 9.098 10.273 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.141 7.972 -5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.642 9.538 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.083 10.069 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.116 8.324 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.722 8.683 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.071 10.144 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.053 8.011 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.956 7.422 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.384 8.591 -2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.317 9.426 -4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.442 9.997 -2.754 1.00 0.00 H new ATOM 264 N LYS A 19 6.979 10.178 -6.168 1.00 0.00 N ATOM 265 CA LYS A 19 6.237 10.902 -7.186 1.00 0.00 C ATOM 266 C LYS A 19 6.899 10.681 -8.548 1.00 0.00 C ATOM 267 O LYS A 19 6.964 11.597 -9.366 1.00 0.00 O ATOM 268 CB LYS A 19 6.098 12.376 -6.802 1.00 0.00 C ATOM 269 CG LYS A 19 4.888 12.593 -5.891 1.00 0.00 C ATOM 270 CD LYS A 19 4.502 14.073 -5.836 1.00 0.00 C ATOM 271 CE LYS A 19 3.088 14.250 -5.280 1.00 0.00 C ATOM 272 NZ LYS A 19 2.926 15.599 -4.694 1.00 0.00 N ATOM 0 H LYS A 19 6.441 9.467 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 19 5.219 10.519 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.004 12.711 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.993 12.982 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.044 12.007 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.115 12.235 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.213 14.615 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.561 14.505 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.357 14.102 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.892 13.492 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.961 15.702 -4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.611 15.726 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.093 16.318 -5.427 1.00 0.00 H new ATOM 286 N THR A 20 7.375 9.460 -8.748 1.00 0.00 N ATOM 287 CA THR A 20 8.030 9.108 -9.996 1.00 0.00 C ATOM 288 C THR A 20 8.488 7.648 -9.964 1.00 0.00 C ATOM 289 O THR A 20 8.092 6.851 -10.812 1.00 0.00 O ATOM 290 CB THR A 20 9.173 10.098 -10.226 1.00 0.00 C ATOM 291 OG1 THR A 20 10.219 9.300 -10.773 1.00 0.00 O ATOM 292 CG2 THR A 20 9.757 10.633 -8.917 1.00 0.00 C ATOM 0 H THR A 20 7.320 8.703 -8.067 1.00 0.00 H new ATOM 0 HA THR A 20 7.342 9.182 -10.838 1.00 0.00 H new ATOM 0 HB THR A 20 8.815 10.931 -10.830 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.000 9.864 -10.954 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.565 11.331 -9.137 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.977 11.146 -8.354 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.146 9.804 -8.326 1.00 0.00 H new ATOM 300 N GLN A 21 9.316 7.343 -8.976 1.00 0.00 N ATOM 301 CA GLN A 21 9.833 5.993 -8.822 1.00 0.00 C ATOM 302 C GLN A 21 8.706 5.036 -8.429 1.00 0.00 C ATOM 303 O GLN A 21 7.797 5.411 -7.690 1.00 0.00 O ATOM 304 CB GLN A 21 10.968 5.954 -7.797 1.00 0.00 C ATOM 305 CG GLN A 21 12.087 6.924 -8.182 1.00 0.00 C ATOM 306 CD GLN A 21 13.445 6.417 -7.690 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.566 5.809 -6.639 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.456 6.700 -8.506 1.00 0.00 N ATOM 0 H GLN A 21 9.642 8.007 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 21 10.242 5.669 -9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.582 6.212 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.367 4.942 -7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.111 7.046 -9.265 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.885 7.906 -7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.285 7.213 -9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.402 6.404 -8.267 1.00 0.00 H new ATOM 317 N LYS A 22 8.803 3.818 -8.942 1.00 0.00 N ATOM 318 CA LYS A 22 7.803 2.803 -8.654 1.00 0.00 C ATOM 319 C LYS A 22 8.485 1.438 -8.542 1.00 0.00 C ATOM 320 O LYS A 22 9.507 1.197 -9.183 1.00 0.00 O ATOM 321 CB LYS A 22 6.681 2.847 -9.693 1.00 0.00 C ATOM 322 CG LYS A 22 7.237 2.675 -11.108 1.00 0.00 C ATOM 323 CD LYS A 22 6.464 1.600 -11.875 1.00 0.00 C ATOM 324 CE LYS A 22 7.054 1.392 -13.271 1.00 0.00 C ATOM 325 NZ LYS A 22 6.322 0.325 -13.989 1.00 0.00 N ATOM 0 H LYS A 22 9.558 3.511 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 22 7.325 3.000 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.957 2.060 -9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.150 3.796 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.177 3.622 -11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.291 2.403 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.492 0.662 -11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.417 1.890 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.001 2.322 -13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.108 1.127 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.735 0.197 -14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.394 -0.565 -13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.321 0.593 -14.082 1.00 0.00 H new ATOM 339 N THR A 23 7.893 0.582 -7.723 1.00 0.00 N ATOM 340 CA THR A 23 8.431 -0.752 -7.518 1.00 0.00 C ATOM 341 C THR A 23 7.302 -1.785 -7.499 1.00 0.00 C ATOM 342 O THR A 23 6.236 -1.535 -6.939 1.00 0.00 O ATOM 343 CB THR A 23 9.261 -0.736 -6.233 1.00 0.00 C ATOM 344 OG1 THR A 23 9.854 -2.031 -6.186 1.00 0.00 O ATOM 345 CG2 THR A 23 8.392 -0.678 -4.975 1.00 0.00 C ATOM 0 H THR A 23 7.046 0.786 -7.193 1.00 0.00 H new ATOM 0 HA THR A 23 9.084 -1.045 -8.340 1.00 0.00 H new ATOM 0 HB THR A 23 9.936 0.120 -6.248 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.412 -2.107 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.031 -0.669 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.785 0.227 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.740 -1.551 -4.942 1.00 0.00 H new ATOM 353 N ILE A 24 7.575 -2.924 -8.118 1.00 0.00 N ATOM 354 CA ILE A 24 6.596 -3.996 -8.179 1.00 0.00 C ATOM 355 C ILE A 24 6.894 -5.017 -7.079 1.00 0.00 C ATOM 356 O ILE A 24 8.055 -5.311 -6.799 1.00 0.00 O ATOM 357 CB ILE A 24 6.550 -4.601 -9.584 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.024 -3.586 -10.601 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.739 -5.898 -9.596 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.554 -3.257 -10.337 1.00 0.00 C ATOM 0 H ILE A 24 8.460 -3.128 -8.582 1.00 0.00 H new ATOM 0 HA ILE A 24 5.595 -3.608 -7.991 1.00 0.00 H new ATOM 0 HB ILE A 24 7.568 -4.855 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.619 -2.674 -10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.136 -3.985 -11.609 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.722 -6.307 -10.606 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.197 -6.620 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.719 -5.692 -9.271 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.205 -2.533 -11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.958 -4.167 -10.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.449 -2.836 -9.337 1.00 0.00 H new ATOM 372 N VAL A 25 5.826 -5.529 -6.486 1.00 0.00 N ATOM 373 CA VAL A 25 5.958 -6.510 -5.423 1.00 0.00 C ATOM 374 C VAL A 25 4.815 -7.521 -5.522 1.00 0.00 C ATOM 375 O VAL A 25 3.746 -7.206 -6.043 1.00 0.00 O ATOM 376 CB VAL A 25 6.018 -5.807 -4.065 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.176 -4.808 -4.016 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.689 -5.121 -3.744 1.00 0.00 C ATOM 0 H VAL A 25 4.865 -5.283 -6.722 1.00 0.00 H new ATOM 0 HA VAL A 25 6.891 -7.063 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 25 6.197 -6.565 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.196 -4.322 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.117 -5.333 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.041 -4.056 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.758 -4.629 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.467 -4.380 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.893 -5.865 -3.717 1.00 0.00 H new ATOM 388 N ARG A 26 5.078 -8.717 -5.015 1.00 0.00 N ATOM 389 CA ARG A 26 4.084 -9.776 -5.040 1.00 0.00 C ATOM 390 C ARG A 26 3.559 -10.046 -3.628 1.00 0.00 C ATOM 391 O ARG A 26 4.306 -10.495 -2.760 1.00 0.00 O ATOM 392 CB ARG A 26 4.670 -11.068 -5.615 1.00 0.00 C ATOM 393 CG ARG A 26 3.966 -11.458 -6.916 1.00 0.00 C ATOM 394 CD ARG A 26 4.975 -11.931 -7.964 1.00 0.00 C ATOM 395 NE ARG A 26 4.400 -13.042 -8.754 1.00 0.00 N ATOM 396 CZ ARG A 26 5.042 -13.667 -9.751 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.285 -13.292 -10.086 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.442 -14.665 -10.413 1.00 0.00 N ATOM 0 H ARG A 26 5.966 -8.976 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 26 3.265 -9.446 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.736 -10.937 -5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.569 -11.873 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.243 -12.249 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.408 -10.605 -7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.242 -11.105 -8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.893 -12.258 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 26 3.455 -13.352 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.741 -12.532 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.774 -13.767 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.496 -14.950 -10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.931 -15.140 -11.172 1.00 0.00 H new ATOM 412 N VAL A 27 2.279 -9.760 -3.443 1.00 0.00 N ATOM 413 CA VAL A 27 1.646 -9.966 -2.151 1.00 0.00 C ATOM 414 C VAL A 27 0.265 -10.590 -2.359 1.00 0.00 C ATOM 415 O VAL A 27 -0.102 -10.934 -3.481 1.00 0.00 O ATOM 416 CB VAL A 27 1.596 -8.647 -1.377 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.849 -8.467 -0.518 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.406 -7.461 -2.325 1.00 0.00 C ATOM 0 H VAL A 27 1.663 -9.387 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 27 2.229 -10.661 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 27 0.735 -8.683 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.788 -7.522 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.922 -9.288 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.731 -8.463 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.374 -6.536 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.237 -7.421 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.471 -7.580 -2.873 1.00 0.00 H new ATOM 428 N SER A 28 -0.463 -10.719 -1.259 1.00 0.00 N ATOM 429 CA SER A 28 -1.795 -11.296 -1.306 1.00 0.00 C ATOM 430 C SER A 28 -2.843 -10.186 -1.416 1.00 0.00 C ATOM 431 O SER A 28 -2.811 -9.220 -0.655 1.00 0.00 O ATOM 432 CB SER A 28 -2.065 -12.161 -0.073 1.00 0.00 C ATOM 433 OG SER A 28 -2.952 -13.238 -0.360 1.00 0.00 O ATOM 0 H SER A 28 -0.155 -10.433 -0.330 1.00 0.00 H new ATOM 0 HA SER A 28 -1.859 -11.936 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.123 -12.558 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.490 -11.543 0.718 1.00 0.00 H new ATOM 0 HG SER A 28 -3.098 -13.767 0.452 1.00 0.00 H new ATOM 439 N PRO A 29 -3.771 -10.366 -2.394 1.00 0.00 N ATOM 440 CA PRO A 29 -4.826 -9.392 -2.612 1.00 0.00 C ATOM 441 C PRO A 29 -5.899 -9.493 -1.527 1.00 0.00 C ATOM 442 O PRO A 29 -6.740 -8.604 -1.395 1.00 0.00 O ATOM 443 CB PRO A 29 -5.357 -9.693 -4.004 1.00 0.00 C ATOM 444 CG PRO A 29 -4.904 -11.108 -4.326 1.00 0.00 C ATOM 445 CD PRO A 29 -3.839 -11.498 -3.313 1.00 0.00 C ATOM 0 HA PRO A 29 -4.469 -8.364 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.444 -9.615 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.967 -8.983 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.746 -11.798 -4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.505 -11.160 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.106 -12.417 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.878 -11.674 -3.796 1.00 0.00 H new ATOM 453 N HIS A 30 -5.837 -10.584 -0.778 1.00 0.00 N ATOM 454 CA HIS A 30 -6.793 -10.813 0.292 1.00 0.00 C ATOM 455 C HIS A 30 -6.474 -9.892 1.471 1.00 0.00 C ATOM 456 O HIS A 30 -7.283 -9.038 1.833 1.00 0.00 O ATOM 457 CB HIS A 30 -6.824 -12.291 0.685 1.00 0.00 C ATOM 458 CG HIS A 30 -7.341 -13.205 -0.400 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.640 -13.146 -0.874 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.721 -14.198 -1.099 1.00 0.00 C ATOM 461 CE1 HIS A 30 -8.784 -14.067 -1.815 1.00 0.00 C ATOM 462 NE2 HIS A 30 -7.593 -14.719 -1.952 1.00 0.00 N ATOM 0 H HIS A 30 -5.139 -11.319 -0.891 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.797 -10.568 -0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.817 -12.604 0.960 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.447 -12.408 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.693 -14.508 -0.979 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.685 -14.267 -2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.404 -15.481 -2.603 1.00 0.00 H new ATOM 470 N ALA A 31 -5.295 -10.096 2.038 1.00 0.00 N ATOM 471 CA ALA A 31 -4.859 -9.295 3.169 1.00 0.00 C ATOM 472 C ALA A 31 -5.190 -7.825 2.905 1.00 0.00 C ATOM 473 O ALA A 31 -5.259 -7.398 1.754 1.00 0.00 O ATOM 474 CB ALA A 31 -3.365 -9.522 3.411 1.00 0.00 C ATOM 0 H ALA A 31 -4.627 -10.805 1.735 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.385 -9.594 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.038 -8.921 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.187 -10.576 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.804 -9.231 2.523 1.00 0.00 H new ATOM 480 N SER A 32 -5.387 -7.091 3.991 1.00 0.00 N ATOM 481 CA SER A 32 -5.709 -5.678 3.891 1.00 0.00 C ATOM 482 C SER A 32 -4.423 -4.850 3.841 1.00 0.00 C ATOM 483 O SER A 32 -3.396 -5.260 4.379 1.00 0.00 O ATOM 484 CB SER A 32 -6.585 -5.229 5.062 1.00 0.00 C ATOM 485 OG SER A 32 -7.286 -6.319 5.654 1.00 0.00 O ATOM 0 H SER A 32 -5.330 -7.449 4.944 1.00 0.00 H new ATOM 0 HA SER A 32 -6.271 -5.519 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.963 -4.746 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.301 -4.484 4.714 1.00 0.00 H new ATOM 0 HG SER A 32 -7.832 -5.991 6.399 1.00 0.00 H new ATOM 491 N LEU A 33 -4.523 -3.700 3.191 1.00 0.00 N ATOM 492 CA LEU A 33 -3.381 -2.811 3.064 1.00 0.00 C ATOM 493 C LEU A 33 -2.774 -2.567 4.447 1.00 0.00 C ATOM 494 O LEU A 33 -1.573 -2.328 4.568 1.00 0.00 O ATOM 495 CB LEU A 33 -3.779 -1.528 2.332 1.00 0.00 C ATOM 496 CG LEU A 33 -4.199 -1.692 0.870 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.139 -0.565 0.439 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.975 -1.799 -0.043 1.00 0.00 C ATOM 0 H LEU A 33 -5.377 -3.363 2.747 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.606 -3.272 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.602 -1.064 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.939 -0.835 2.372 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.753 -2.626 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.422 -0.706 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.033 -0.578 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.633 0.394 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.301 -1.915 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.373 -0.895 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.378 -2.663 0.248 1.00 0.00 H new ATOM 510 N GLN A 34 -3.631 -2.636 5.455 1.00 0.00 N ATOM 511 CA GLN A 34 -3.194 -2.425 6.824 1.00 0.00 C ATOM 512 C GLN A 34 -2.094 -3.423 7.190 1.00 0.00 C ATOM 513 O GLN A 34 -1.182 -3.097 7.949 1.00 0.00 O ATOM 514 CB GLN A 34 -4.371 -2.526 7.797 1.00 0.00 C ATOM 515 CG GLN A 34 -3.886 -2.830 9.215 1.00 0.00 C ATOM 516 CD GLN A 34 -4.962 -2.489 10.248 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.286 -1.337 10.487 1.00 0.00 O ATOM 518 NE2 GLN A 34 -5.495 -3.551 10.845 1.00 0.00 N ATOM 0 H GLN A 34 -4.626 -2.835 5.351 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.785 -1.418 6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.932 -1.591 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.054 -3.309 7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.622 -3.885 9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.982 -2.258 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.177 -4.488 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.221 -3.428 11.550 1.00 0.00 H new ATOM 527 N GLU A 35 -2.215 -4.619 6.633 1.00 0.00 N ATOM 528 CA GLU A 35 -1.242 -5.667 6.891 1.00 0.00 C ATOM 529 C GLU A 35 -0.142 -5.643 5.829 1.00 0.00 C ATOM 530 O GLU A 35 0.960 -6.138 6.060 1.00 0.00 O ATOM 531 CB GLU A 35 -1.917 -7.039 6.950 1.00 0.00 C ATOM 532 CG GLU A 35 -2.355 -7.374 8.378 1.00 0.00 C ATOM 533 CD GLU A 35 -1.186 -7.929 9.194 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.131 -7.258 9.203 1.00 0.00 O ATOM 535 OE2 GLU A 35 -1.373 -9.011 9.790 1.00 0.00 O ATOM 0 H GLU A 35 -2.972 -4.886 6.004 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.786 -5.481 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.783 -7.051 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.229 -7.803 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.748 -6.479 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.164 -8.104 8.352 1.00 0.00 H new ATOM 542 N LEU A 36 -0.479 -5.062 4.687 1.00 0.00 N ATOM 543 CA LEU A 36 0.467 -4.967 3.588 1.00 0.00 C ATOM 544 C LEU A 36 1.152 -3.599 3.627 1.00 0.00 C ATOM 545 O LEU A 36 1.852 -3.224 2.688 1.00 0.00 O ATOM 546 CB LEU A 36 -0.224 -5.270 2.257 1.00 0.00 C ATOM 547 CG LEU A 36 -0.813 -6.675 2.113 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.671 -6.782 0.851 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.288 -7.737 2.149 1.00 0.00 C ATOM 0 H LEU A 36 -1.394 -4.652 4.499 1.00 0.00 H new ATOM 0 HA LEU A 36 1.249 -5.719 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.025 -4.545 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.495 -5.115 1.453 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.467 -6.861 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.078 -7.790 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.489 -6.064 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.058 -6.568 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.157 -8.726 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.986 -7.565 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.821 -7.677 3.098 1.00 0.00 H new ATOM 561 N ALA A 37 0.926 -2.891 4.724 1.00 0.00 N ATOM 562 CA ALA A 37 1.512 -1.573 4.898 1.00 0.00 C ATOM 563 C ALA A 37 3.032 -1.707 5.017 1.00 0.00 C ATOM 564 O ALA A 37 3.776 -1.010 4.328 1.00 0.00 O ATOM 565 CB ALA A 37 0.890 -0.894 6.120 1.00 0.00 C ATOM 0 H ALA A 37 0.345 -3.205 5.501 1.00 0.00 H new ATOM 0 HA ALA A 37 1.303 -0.943 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.330 0.095 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.186 -0.796 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.082 -1.496 7.008 1.00 0.00 H new ATOM 571 N PRO A 38 3.459 -2.631 5.918 1.00 0.00 N ATOM 572 CA PRO A 38 4.876 -2.865 6.136 1.00 0.00 C ATOM 573 C PRO A 38 5.484 -3.662 4.980 1.00 0.00 C ATOM 574 O PRO A 38 6.569 -3.337 4.500 1.00 0.00 O ATOM 575 CB PRO A 38 4.954 -3.596 7.466 1.00 0.00 C ATOM 576 CG PRO A 38 3.563 -4.154 7.718 1.00 0.00 C ATOM 577 CD PRO A 38 2.607 -3.475 6.751 1.00 0.00 C ATOM 0 HA PRO A 38 5.454 -1.942 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.694 -4.395 7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.254 -2.920 8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.552 -5.234 7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.259 -3.970 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.066 -4.206 6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.861 -2.883 7.282 1.00 0.00 H new ATOM 585 N ILE A 39 4.758 -4.690 4.565 1.00 0.00 N ATOM 586 CA ILE A 39 5.212 -5.535 3.474 1.00 0.00 C ATOM 587 C ILE A 39 5.531 -4.663 2.258 1.00 0.00 C ATOM 588 O ILE A 39 6.466 -4.950 1.512 1.00 0.00 O ATOM 589 CB ILE A 39 4.191 -6.638 3.190 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.211 -7.701 4.290 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.411 -7.245 1.803 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.818 -7.892 4.893 1.00 0.00 C ATOM 0 H ILE A 39 3.858 -4.957 4.965 1.00 0.00 H new ATOM 0 HA ILE A 39 6.133 -6.049 3.748 1.00 0.00 H new ATOM 0 HB ILE A 39 3.197 -6.191 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.567 -8.646 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.912 -7.408 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.672 -8.027 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.306 -6.469 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.412 -7.673 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.860 -8.653 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.475 -6.951 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.125 -8.209 4.114 1.00 0.00 H new ATOM 604 N ILE A 40 4.735 -3.616 2.095 1.00 0.00 N ATOM 605 CA ILE A 40 4.920 -2.701 0.982 1.00 0.00 C ATOM 606 C ILE A 40 6.020 -1.696 1.331 1.00 0.00 C ATOM 607 O ILE A 40 7.072 -1.675 0.694 1.00 0.00 O ATOM 608 CB ILE A 40 3.591 -2.049 0.598 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.720 -3.013 -0.210 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.821 -0.729 -0.140 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.257 -2.563 -0.208 1.00 0.00 C ATOM 0 H ILE A 40 3.960 -3.381 2.716 1.00 0.00 H new ATOM 0 HA ILE A 40 5.251 -3.242 0.095 1.00 0.00 H new ATOM 0 HB ILE A 40 3.048 -1.816 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.086 -3.067 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.796 -4.016 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.860 -0.286 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.373 -0.044 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.394 -0.915 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.660 -3.265 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.887 -2.533 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.181 -1.570 -0.650 1.00 0.00 H new ATOM 623 N CYS A 41 5.740 -0.888 2.343 1.00 0.00 N ATOM 624 CA CYS A 41 6.692 0.116 2.785 1.00 0.00 C ATOM 625 C CYS A 41 8.080 -0.526 2.833 1.00 0.00 C ATOM 626 O CYS A 41 9.057 0.066 2.377 1.00 0.00 O ATOM 627 CB CYS A 41 6.295 0.718 4.134 1.00 0.00 C ATOM 628 SG CYS A 41 5.401 2.294 3.878 1.00 0.00 S ATOM 0 H CYS A 41 4.867 -0.908 2.870 1.00 0.00 H new ATOM 0 HA CYS A 41 6.701 0.947 2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.665 0.018 4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.184 0.889 4.741 1.00 0.00 H new ATOM 0 HG CYS A 41 4.259 2.057 3.304 1.00 0.00 H new ATOM 634 N SER A 42 8.122 -1.728 3.388 1.00 0.00 N ATOM 635 CA SER A 42 9.374 -2.457 3.501 1.00 0.00 C ATOM 636 C SER A 42 10.076 -2.505 2.143 1.00 0.00 C ATOM 637 O SER A 42 11.216 -2.062 2.013 1.00 0.00 O ATOM 638 CB SER A 42 9.140 -3.874 4.029 1.00 0.00 C ATOM 639 OG SER A 42 10.342 -4.639 4.052 1.00 0.00 O ATOM 0 H SER A 42 7.309 -2.216 3.764 1.00 0.00 H new ATOM 0 HA SER A 42 10.012 -1.934 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.724 -3.822 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.402 -4.377 3.404 1.00 0.00 H new ATOM 0 HG SER A 42 10.152 -5.537 4.397 1.00 0.00 H new ATOM 645 N LYS A 43 9.365 -3.047 1.164 1.00 0.00 N ATOM 646 CA LYS A 43 9.906 -3.159 -0.179 1.00 0.00 C ATOM 647 C LYS A 43 10.382 -1.783 -0.650 1.00 0.00 C ATOM 648 O LYS A 43 11.387 -1.676 -1.350 1.00 0.00 O ATOM 649 CB LYS A 43 8.885 -3.810 -1.115 1.00 0.00 C ATOM 650 CG LYS A 43 9.229 -5.279 -1.365 1.00 0.00 C ATOM 651 CD LYS A 43 8.937 -6.129 -0.126 1.00 0.00 C ATOM 652 CE LYS A 43 8.152 -7.388 -0.497 1.00 0.00 C ATOM 653 NZ LYS A 43 8.668 -8.559 0.247 1.00 0.00 N ATOM 0 H LYS A 43 8.419 -3.413 1.275 1.00 0.00 H new ATOM 0 HA LYS A 43 10.775 -3.816 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.888 -3.735 -0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.861 -3.272 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.652 -5.652 -2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.282 -5.369 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.874 -6.409 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.370 -5.542 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.095 -7.244 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.228 -7.569 -1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.124 -9.405 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.671 -8.705 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.573 -8.391 1.269 1.00 0.00 H new ATOM 667 N CYS A 44 9.636 -0.765 -0.246 1.00 0.00 N ATOM 668 CA CYS A 44 9.969 0.600 -0.617 1.00 0.00 C ATOM 669 C CYS A 44 10.795 1.218 0.514 1.00 0.00 C ATOM 670 O CYS A 44 10.930 2.438 0.594 1.00 0.00 O ATOM 671 CB CYS A 44 8.717 1.424 -0.925 1.00 0.00 C ATOM 672 SG CYS A 44 8.653 1.820 -2.710 1.00 0.00 S ATOM 0 H CYS A 44 8.802 -0.858 0.334 1.00 0.00 H new ATOM 0 HA CYS A 44 10.557 0.597 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.825 0.868 -0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.724 2.344 -0.340 1.00 0.00 H new ATOM 0 HG CYS A 44 8.796 3.101 -2.876 1.00 0.00 H new ATOM 678 N GLU A 45 11.326 0.347 1.359 1.00 0.00 N ATOM 679 CA GLU A 45 12.135 0.791 2.482 1.00 0.00 C ATOM 680 C GLU A 45 11.548 2.069 3.085 1.00 0.00 C ATOM 681 O GLU A 45 12.281 2.902 3.617 1.00 0.00 O ATOM 682 CB GLU A 45 13.590 1.002 2.059 1.00 0.00 C ATOM 683 CG GLU A 45 14.473 -0.152 2.537 1.00 0.00 C ATOM 684 CD GLU A 45 15.953 0.227 2.474 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.549 0.011 1.396 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.457 0.724 3.504 1.00 0.00 O ATOM 0 H GLU A 45 11.212 -0.664 1.289 1.00 0.00 H new ATOM 0 HA GLU A 45 12.122 0.013 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.649 1.084 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.959 1.942 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.206 -0.420 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.293 -1.032 1.920 1.00 0.00 H new ATOM 693 N PHE A 46 10.232 2.184 2.983 1.00 0.00 N ATOM 694 CA PHE A 46 9.539 3.346 3.512 1.00 0.00 C ATOM 695 C PHE A 46 9.176 3.145 4.985 1.00 0.00 C ATOM 696 O PHE A 46 9.266 2.033 5.503 1.00 0.00 O ATOM 697 CB PHE A 46 8.252 3.508 2.700 1.00 0.00 C ATOM 698 CG PHE A 46 8.358 4.528 1.564 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.576 4.859 1.058 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.233 5.103 1.060 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.674 5.805 0.003 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.331 6.049 0.005 1.00 0.00 C ATOM 703 CZ PHE A 46 8.549 6.380 -0.501 1.00 0.00 C ATOM 0 H PHE A 46 9.627 1.491 2.542 1.00 0.00 H new ATOM 0 HA PHE A 46 10.179 4.225 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.974 2.541 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.447 3.808 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.469 4.402 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.266 4.840 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.641 6.068 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.438 6.506 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.623 7.099 -1.303 1.00 0.00 H new ATOM 713 N ASP A 47 8.774 4.238 5.617 1.00 0.00 N ATOM 714 CA ASP A 47 8.398 4.195 7.019 1.00 0.00 C ATOM 715 C ASP A 47 6.874 4.116 7.132 1.00 0.00 C ATOM 716 O ASP A 47 6.172 5.066 6.789 1.00 0.00 O ATOM 717 CB ASP A 47 8.861 5.456 7.753 1.00 0.00 C ATOM 718 CG ASP A 47 10.299 5.409 8.273 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.089 4.636 7.690 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.575 6.148 9.243 1.00 0.00 O ATOM 0 H ASP A 47 8.701 5.158 5.184 1.00 0.00 H new ATOM 0 HA ASP A 47 8.871 3.322 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.761 6.307 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.192 5.635 8.595 1.00 0.00 H new ATOM 725 N PRO A 48 6.394 2.943 7.626 1.00 0.00 N ATOM 726 CA PRO A 48 4.966 2.728 7.788 1.00 0.00 C ATOM 727 C PRO A 48 4.429 3.497 8.997 1.00 0.00 C ATOM 728 O PRO A 48 3.234 3.455 9.283 1.00 0.00 O ATOM 729 CB PRO A 48 4.809 1.222 7.925 1.00 0.00 C ATOM 730 CG PRO A 48 6.183 0.692 8.300 1.00 0.00 C ATOM 731 CD PRO A 48 7.195 1.796 8.043 1.00 0.00 C ATOM 0 HA PRO A 48 4.386 3.101 6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.073 0.974 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.461 0.779 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.203 0.392 9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.425 -0.192 7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.772 2.021 8.940 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.907 1.508 7.270 1.00 0.00 H new ATOM 739 N LEU A 49 5.339 4.182 9.674 1.00 0.00 N ATOM 740 CA LEU A 49 4.972 4.960 10.845 1.00 0.00 C ATOM 741 C LEU A 49 4.063 6.115 10.420 1.00 0.00 C ATOM 742 O LEU A 49 3.002 6.323 11.007 1.00 0.00 O ATOM 743 CB LEU A 49 6.222 5.408 11.604 1.00 0.00 C ATOM 744 CG LEU A 49 6.598 4.573 12.830 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.116 4.498 12.997 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.908 5.106 14.088 1.00 0.00 C ATOM 0 H LEU A 49 6.330 4.214 9.434 1.00 0.00 H new ATOM 0 HA LEU A 49 4.404 4.348 11.546 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.065 5.402 10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.079 6.441 11.922 1.00 0.00 H new ATOM 0 HG LEU A 49 6.241 3.555 12.673 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.356 3.899 13.875 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.557 4.038 12.113 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.518 5.503 13.122 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.192 4.495 14.945 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.213 6.138 14.261 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.827 5.065 13.955 1.00 0.00 H new ATOM 758 N HIS A 50 4.512 6.837 9.404 1.00 0.00 N ATOM 759 CA HIS A 50 3.753 7.965 8.894 1.00 0.00 C ATOM 760 C HIS A 50 3.604 7.840 7.376 1.00 0.00 C ATOM 761 O HIS A 50 4.047 8.713 6.631 1.00 0.00 O ATOM 762 CB HIS A 50 4.393 9.288 9.320 1.00 0.00 C ATOM 763 CG HIS A 50 5.170 9.206 10.612 1.00 0.00 C ATOM 764 ND1 HIS A 50 4.768 9.850 11.770 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.326 8.550 10.917 1.00 0.00 C ATOM 766 CE1 HIS A 50 5.651 9.586 12.722 1.00 0.00 C ATOM 767 NE2 HIS A 50 6.616 8.781 12.192 1.00 0.00 N ATOM 0 H HIS A 50 5.393 6.662 8.920 1.00 0.00 H new ATOM 0 HA HIS A 50 2.751 7.958 9.324 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.060 9.629 8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.612 10.041 9.425 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.907 7.945 10.237 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.613 9.945 13.740 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.427 8.417 12.692 1.00 0.00 H new ATOM 775 N THR A 51 2.979 6.747 6.963 1.00 0.00 N ATOM 776 CA THR A 51 2.767 6.497 5.548 1.00 0.00 C ATOM 777 C THR A 51 1.272 6.363 5.248 1.00 0.00 C ATOM 778 O THR A 51 0.521 5.812 6.052 1.00 0.00 O ATOM 779 CB THR A 51 3.577 5.258 5.160 1.00 0.00 C ATOM 780 OG1 THR A 51 4.882 5.767 4.895 1.00 0.00 O ATOM 781 CG2 THR A 51 3.131 4.661 3.823 1.00 0.00 C ATOM 0 H THR A 51 2.613 6.025 7.584 1.00 0.00 H new ATOM 0 HA THR A 51 3.115 7.334 4.942 1.00 0.00 H new ATOM 0 HB THR A 51 3.485 4.504 5.942 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.529 5.334 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.738 3.785 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.083 4.370 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.255 5.403 3.034 1.00 0.00 H new ATOM 789 N LEU A 52 0.885 6.876 4.090 1.00 0.00 N ATOM 790 CA LEU A 52 -0.506 6.820 3.674 1.00 0.00 C ATOM 791 C LEU A 52 -0.620 5.985 2.397 1.00 0.00 C ATOM 792 O LEU A 52 0.391 5.602 1.810 1.00 0.00 O ATOM 793 CB LEU A 52 -1.082 8.231 3.539 1.00 0.00 C ATOM 794 CG LEU A 52 -2.042 8.672 4.646 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.422 10.146 4.487 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.274 7.766 4.696 1.00 0.00 C ATOM 0 H LEU A 52 1.511 7.333 3.426 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.110 6.325 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.253 8.938 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.604 8.299 2.584 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.529 8.572 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.105 10.434 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.523 10.761 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.909 10.294 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.940 8.101 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.798 7.811 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.963 6.740 4.891 1.00 0.00 H new ATOM 808 N LEU A 53 -1.859 5.728 2.005 1.00 0.00 N ATOM 809 CA LEU A 53 -2.117 4.945 0.808 1.00 0.00 C ATOM 810 C LEU A 53 -3.171 5.657 -0.043 1.00 0.00 C ATOM 811 O LEU A 53 -4.359 5.615 0.270 1.00 0.00 O ATOM 812 CB LEU A 53 -2.494 3.509 1.178 1.00 0.00 C ATOM 813 CG LEU A 53 -1.446 2.723 1.969 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.001 1.372 2.423 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.153 2.572 1.165 1.00 0.00 C ATOM 0 H LEU A 53 -2.695 6.048 2.494 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.215 4.867 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.415 3.535 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.712 2.963 0.260 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.202 3.288 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.236 0.834 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.871 1.532 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.292 0.786 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.575 2.010 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.362 2.040 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.250 3.558 0.935 1.00 0.00 H new ATOM 827 N LEU A 54 -2.696 6.294 -1.104 1.00 0.00 N ATOM 828 CA LEU A 54 -3.582 7.013 -2.003 1.00 0.00 C ATOM 829 C LEU A 54 -3.866 6.148 -3.233 1.00 0.00 C ATOM 830 O LEU A 54 -3.161 5.173 -3.486 1.00 0.00 O ATOM 831 CB LEU A 54 -3.002 8.389 -2.339 1.00 0.00 C ATOM 832 CG LEU A 54 -2.628 9.269 -1.145 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.868 9.646 -0.332 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.559 8.596 -0.282 1.00 0.00 C ATOM 0 H LEU A 54 -1.709 6.327 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.540 7.205 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.112 8.246 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.727 8.928 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.198 10.196 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.574 10.272 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.565 10.194 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.349 8.741 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.311 9.242 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.938 7.644 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.665 8.421 -0.881 1.00 0.00 H new ATOM 846 N LYS A 55 -4.900 6.537 -3.964 1.00 0.00 N ATOM 847 CA LYS A 55 -5.286 5.810 -5.161 1.00 0.00 C ATOM 848 C LYS A 55 -4.076 5.684 -6.089 1.00 0.00 C ATOM 849 O LYS A 55 -3.625 4.577 -6.380 1.00 0.00 O ATOM 850 CB LYS A 55 -6.500 6.468 -5.820 1.00 0.00 C ATOM 851 CG LYS A 55 -7.661 6.590 -4.831 1.00 0.00 C ATOM 852 CD LYS A 55 -8.649 5.434 -4.999 1.00 0.00 C ATOM 853 CE LYS A 55 -9.688 5.752 -6.076 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.048 5.420 -5.597 1.00 0.00 N ATOM 0 H LYS A 55 -5.483 7.347 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.600 4.798 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.227 7.456 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.813 5.880 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.275 6.598 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.176 7.538 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.109 4.526 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.151 5.239 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.636 6.809 -6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.467 5.187 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.741 5.642 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.098 4.407 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.262 5.978 -4.746 1.00 0.00 H new ATOM 868 N ASP A 56 -3.584 6.833 -6.527 1.00 0.00 N ATOM 869 CA ASP A 56 -2.435 6.866 -7.415 1.00 0.00 C ATOM 870 C ASP A 56 -1.616 8.128 -7.137 1.00 0.00 C ATOM 871 O ASP A 56 -1.757 8.743 -6.081 1.00 0.00 O ATOM 872 CB ASP A 56 -2.873 6.900 -8.881 1.00 0.00 C ATOM 873 CG ASP A 56 -4.117 6.071 -9.204 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.215 6.518 -8.807 1.00 0.00 O ATOM 875 OD2 ASP A 56 -3.943 5.009 -9.840 1.00 0.00 O ATOM 0 H ASP A 56 -3.961 7.749 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.844 5.968 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.061 7.936 -9.164 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.048 6.546 -9.499 1.00 0.00 H new ATOM 880 N TYR A 57 -0.777 8.475 -8.102 1.00 0.00 N ATOM 881 CA TYR A 57 0.064 9.653 -7.974 1.00 0.00 C ATOM 882 C TYR A 57 -0.691 10.915 -8.394 1.00 0.00 C ATOM 883 O TYR A 57 -0.540 11.968 -7.776 1.00 0.00 O ATOM 884 CB TYR A 57 1.240 9.436 -8.929 1.00 0.00 C ATOM 885 CG TYR A 57 1.857 10.731 -9.460 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.850 11.368 -8.743 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.421 11.263 -10.657 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.430 12.587 -9.244 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.001 12.482 -11.157 1.00 0.00 C ATOM 890 CZ TYR A 57 2.978 13.084 -10.426 1.00 0.00 C ATOM 891 OH TYR A 57 3.526 14.235 -10.898 1.00 0.00 O ATOM 0 H TYR A 57 -0.662 7.961 -8.976 1.00 0.00 H new ATOM 0 HA TYR A 57 0.383 9.786 -6.940 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.011 8.862 -8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.903 8.833 -9.773 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.192 10.952 -7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.645 10.765 -11.218 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.207 13.095 -8.693 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.668 12.909 -12.091 1.00 0.00 H new ATOM 0 HH TYR A 57 3.107 14.471 -11.752 1.00 0.00 H new ATOM 901 N GLN A 58 -1.489 10.768 -9.441 1.00 0.00 N ATOM 902 CA GLN A 58 -2.269 11.884 -9.950 1.00 0.00 C ATOM 903 C GLN A 58 -3.232 12.392 -8.876 1.00 0.00 C ATOM 904 O GLN A 58 -3.242 13.580 -8.558 1.00 0.00 O ATOM 905 CB GLN A 58 -3.024 11.490 -11.222 1.00 0.00 C ATOM 906 CG GLN A 58 -3.326 12.718 -12.082 1.00 0.00 C ATOM 907 CD GLN A 58 -4.812 12.782 -12.443 1.00 0.00 C ATOM 908 OE1 GLN A 58 -5.232 12.401 -13.523 1.00 0.00 O ATOM 909 NE2 GLN A 58 -5.581 13.285 -11.481 1.00 0.00 N ATOM 0 H GLN A 58 -1.613 9.893 -9.951 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.585 12.692 -10.208 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.431 10.777 -11.795 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.955 10.990 -10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.039 13.622 -11.545 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.728 12.685 -12.993 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.164 13.585 -10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.587 13.370 -11.625 1.00 0.00 H new ATOM 918 N SER A 59 -4.019 11.467 -8.346 1.00 0.00 N ATOM 919 CA SER A 59 -4.984 11.806 -7.314 1.00 0.00 C ATOM 920 C SER A 59 -4.303 11.818 -5.944 1.00 0.00 C ATOM 921 O SER A 59 -3.104 11.560 -5.841 1.00 0.00 O ATOM 922 CB SER A 59 -6.158 10.826 -7.314 1.00 0.00 C ATOM 923 OG SER A 59 -5.722 9.470 -7.272 1.00 0.00 O ATOM 0 H SER A 59 -4.008 10.482 -8.612 1.00 0.00 H new ATOM 0 HA SER A 59 -5.376 12.801 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.798 11.028 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.763 10.985 -8.207 1.00 0.00 H new ATOM 0 HG SER A 59 -5.836 9.062 -8.156 1.00 0.00 H new ATOM 929 N GLN A 60 -5.096 12.121 -4.927 1.00 0.00 N ATOM 930 CA GLN A 60 -4.584 12.170 -3.568 1.00 0.00 C ATOM 931 C GLN A 60 -5.613 11.594 -2.592 1.00 0.00 C ATOM 932 O GLN A 60 -5.537 11.838 -1.389 1.00 0.00 O ATOM 933 CB GLN A 60 -4.198 13.598 -3.178 1.00 0.00 C ATOM 934 CG GLN A 60 -3.069 14.123 -4.068 1.00 0.00 C ATOM 935 CD GLN A 60 -2.181 15.106 -3.303 1.00 0.00 C ATOM 936 OE1 GLN A 60 -1.547 14.771 -2.316 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.170 16.335 -3.812 1.00 0.00 N ATOM 0 H GLN A 60 -6.089 12.335 -5.017 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.683 11.559 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.067 14.250 -3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.884 13.622 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.467 13.289 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.491 14.615 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.724 16.549 -4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.607 17.064 -3.373 1.00 0.00 H new ATOM 946 N GLU A 61 -6.551 10.841 -3.148 1.00 0.00 N ATOM 947 CA GLU A 61 -7.593 10.229 -2.342 1.00 0.00 C ATOM 948 C GLU A 61 -7.026 9.050 -1.547 1.00 0.00 C ATOM 949 O GLU A 61 -6.432 8.139 -2.120 1.00 0.00 O ATOM 950 CB GLU A 61 -8.771 9.787 -3.212 1.00 0.00 C ATOM 951 CG GLU A 61 -10.103 10.060 -2.512 1.00 0.00 C ATOM 952 CD GLU A 61 -10.453 11.549 -2.561 1.00 0.00 C ATOM 953 OE1 GLU A 61 -9.867 12.296 -1.748 1.00 0.00 O ATOM 954 OE2 GLU A 61 -11.298 11.906 -3.410 1.00 0.00 O ATOM 0 H GLU A 61 -6.611 10.641 -4.146 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.964 10.973 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.742 10.315 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.684 8.723 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.894 9.481 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.047 9.730 -1.475 1.00 0.00 H new ATOM 961 N PRO A 62 -7.236 9.109 -0.204 1.00 0.00 N ATOM 962 CA PRO A 62 -6.753 8.058 0.675 1.00 0.00 C ATOM 963 C PRO A 62 -7.621 6.804 0.559 1.00 0.00 C ATOM 964 O PRO A 62 -8.836 6.899 0.392 1.00 0.00 O ATOM 965 CB PRO A 62 -6.775 8.669 2.067 1.00 0.00 C ATOM 966 CG PRO A 62 -7.701 9.871 1.980 1.00 0.00 C ATOM 967 CD PRO A 62 -7.936 10.173 0.509 1.00 0.00 C ATOM 0 HA PRO A 62 -5.748 7.722 0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.136 7.951 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.774 8.969 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.646 9.662 2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.257 10.732 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.000 10.176 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.546 11.154 0.239 1.00 0.00 H new ATOM 975 N LEU A 63 -6.964 5.657 0.653 1.00 0.00 N ATOM 976 CA LEU A 63 -7.661 4.385 0.560 1.00 0.00 C ATOM 977 C LEU A 63 -7.991 3.886 1.969 1.00 0.00 C ATOM 978 O LEU A 63 -7.496 4.429 2.955 1.00 0.00 O ATOM 979 CB LEU A 63 -6.850 3.389 -0.271 1.00 0.00 C ATOM 980 CG LEU A 63 -6.213 3.943 -1.547 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.862 3.278 -1.818 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.166 3.810 -2.737 1.00 0.00 C ATOM 0 H LEU A 63 -5.956 5.582 0.793 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.608 4.506 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.059 2.980 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.501 2.559 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.025 5.007 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.430 3.690 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.189 3.467 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.002 2.204 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.689 4.211 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.407 2.759 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.082 4.365 -2.534 1.00 0.00 H new ATOM 994 N ASP A 64 -8.825 2.858 2.017 1.00 0.00 N ATOM 995 CA ASP A 64 -9.227 2.279 3.288 1.00 0.00 C ATOM 996 C ASP A 64 -8.392 1.027 3.560 1.00 0.00 C ATOM 997 O ASP A 64 -8.589 -0.006 2.921 1.00 0.00 O ATOM 998 CB ASP A 64 -10.701 1.869 3.265 1.00 0.00 C ATOM 999 CG ASP A 64 -11.626 2.733 4.123 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.988 3.829 3.642 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -11.952 2.279 5.241 1.00 0.00 O ATOM 0 H ASP A 64 -9.234 2.411 1.196 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.074 3.029 4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.054 1.898 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.780 0.835 3.600 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.477 1.159 4.509 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.611 0.051 4.874 1.00 0.00 C ATOM 1008 C LEU A 65 -7.468 -1.173 5.205 1.00 0.00 C ATOM 1009 O LEU A 65 -7.125 -2.294 4.834 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.663 0.461 6.002 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.815 1.709 5.746 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.313 2.310 7.060 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.668 1.404 4.780 1.00 0.00 C ATOM 0 H LEU A 65 -7.316 2.017 5.037 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.971 -0.225 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.253 0.626 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.993 -0.374 6.208 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.446 2.459 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.713 3.195 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.164 2.588 7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.703 1.576 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.081 2.308 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.030 0.630 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.075 1.057 3.830 1.00 0.00 H new ATOM 1025 N THR A 66 -8.567 -0.916 5.899 1.00 0.00 N ATOM 1026 CA THR A 66 -9.476 -1.982 6.284 1.00 0.00 C ATOM 1027 C THR A 66 -9.844 -2.834 5.068 1.00 0.00 C ATOM 1028 O THR A 66 -9.996 -4.049 5.180 1.00 0.00 O ATOM 1029 CB THR A 66 -10.687 -1.347 6.970 1.00 0.00 C ATOM 1030 OG1 THR A 66 -10.936 -0.167 6.211 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.360 -0.827 8.371 1.00 0.00 C ATOM 0 H THR A 66 -8.849 0.015 6.205 1.00 0.00 H new ATOM 0 HA THR A 66 -9.006 -2.666 6.991 1.00 0.00 H new ATOM 0 HB THR A 66 -11.493 -2.078 7.033 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.795 0.221 6.481 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.253 -0.386 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.016 -1.652 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.577 -0.071 8.305 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.977 -2.162 3.933 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.324 -2.843 2.697 1.00 0.00 C ATOM 1041 C LYS A 67 -9.085 -3.546 2.141 1.00 0.00 C ATOM 1042 O LYS A 67 -7.970 -3.302 2.600 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.971 -1.867 1.712 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.220 -1.223 2.319 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.485 -1.967 1.886 1.00 0.00 C ATOM 1046 CE LYS A 67 -13.778 -3.142 2.821 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.203 -3.144 3.219 1.00 0.00 N ATOM 0 H LYS A 67 -9.851 -1.154 3.844 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.071 -3.614 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.255 -1.092 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.238 -2.393 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.145 -1.228 3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.283 -0.180 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.332 -1.281 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.366 -2.331 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.532 -4.080 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.147 -3.076 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.385 -3.948 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.427 -2.256 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.800 -3.230 2.372 1.00 0.00 H new ATOM 1061 N SER A 68 -9.321 -4.406 1.161 1.00 0.00 N ATOM 1062 CA SER A 68 -8.238 -5.147 0.538 1.00 0.00 C ATOM 1063 C SER A 68 -8.194 -4.847 -0.962 1.00 0.00 C ATOM 1064 O SER A 68 -9.127 -4.261 -1.509 1.00 0.00 O ATOM 1065 CB SER A 68 -8.390 -6.650 0.775 1.00 0.00 C ATOM 1066 OG SER A 68 -9.747 -7.073 0.666 1.00 0.00 O ATOM 0 H SER A 68 -10.247 -4.606 0.783 1.00 0.00 H new ATOM 0 HA SER A 68 -7.300 -4.829 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.781 -7.194 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.010 -6.901 1.765 1.00 0.00 H new ATOM 0 HG SER A 68 -9.802 -8.039 0.823 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.101 -5.264 -1.584 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.924 -5.048 -3.010 1.00 0.00 C ATOM 1074 C LEU A 69 -8.111 -5.652 -3.765 1.00 0.00 C ATOM 1075 O LEU A 69 -8.488 -5.164 -4.829 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.567 -5.585 -3.469 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.344 -4.770 -3.041 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.274 -3.445 -3.804 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.328 -4.559 -1.526 1.00 0.00 C ATOM 0 H LEU A 69 -6.329 -5.750 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.912 -3.981 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.453 -6.601 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.573 -5.650 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.449 -5.338 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.396 -2.885 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.204 -3.644 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.172 -2.861 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.449 -3.977 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.228 -4.023 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.296 -5.526 -1.024 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.666 -6.705 -3.184 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.802 -7.381 -3.787 1.00 0.00 C ATOM 1093 C ASN A 70 -11.050 -6.510 -3.631 1.00 0.00 C ATOM 1094 O ASN A 70 -11.771 -6.273 -4.599 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.072 -8.722 -3.103 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.820 -9.888 -4.062 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.494 -10.057 -5.065 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -8.815 -10.679 -3.698 1.00 0.00 N ATOM 0 H ASN A 70 -8.350 -7.107 -2.301 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.572 -7.553 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.432 -8.823 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.103 -8.753 -2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.567 -11.485 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.292 -10.479 -2.845 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.267 -6.057 -2.405 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.415 -5.218 -2.109 1.00 0.00 C ATOM 1107 C ASP A 71 -12.343 -3.946 -2.957 1.00 0.00 C ATOM 1108 O ASP A 71 -13.351 -3.505 -3.507 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.431 -4.804 -0.636 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.160 -5.937 0.356 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -12.361 -7.103 -0.045 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -11.757 -5.610 1.493 1.00 0.00 O ATOM 0 H ASP A 71 -10.667 -6.256 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.316 -5.789 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.686 -4.023 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.403 -4.366 -0.408 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.142 -3.392 -3.035 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.926 -2.180 -3.806 1.00 0.00 C ATOM 1119 C LEU A 72 -10.960 -2.516 -5.298 1.00 0.00 C ATOM 1120 O LEU A 72 -11.777 -1.975 -6.041 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.637 -1.485 -3.361 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.652 -0.876 -1.957 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.230 -0.642 -1.446 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.492 0.402 -1.924 1.00 0.00 C ATOM 0 H LEU A 72 -10.308 -3.760 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.727 -1.464 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.822 -2.207 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.409 -0.694 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.123 -1.588 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.269 -0.209 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.696 -1.591 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.710 0.041 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.487 0.815 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.072 1.131 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.517 0.172 -2.216 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.062 -3.408 -5.691 1.00 0.00 N ATOM 1137 CA GLY A 73 -9.979 -3.823 -7.081 1.00 0.00 C ATOM 1138 C GLY A 73 -8.932 -3.004 -7.837 1.00 0.00 C ATOM 1139 O GLY A 73 -9.045 -2.808 -9.046 1.00 0.00 O ATOM 0 H GLY A 73 -9.386 -3.855 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.725 -4.882 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.952 -3.705 -7.558 1.00 0.00 H new ATOM 1143 N LEU A 74 -7.935 -2.546 -7.093 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.868 -1.752 -7.677 1.00 0.00 C ATOM 1145 C LEU A 74 -5.590 -2.590 -7.738 1.00 0.00 C ATOM 1146 O LEU A 74 -5.290 -3.340 -6.811 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.704 -0.433 -6.918 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.950 0.451 -6.832 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.698 1.669 -5.941 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.436 0.851 -8.226 1.00 0.00 C ATOM 0 H LEU A 74 -7.844 -2.710 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.117 -1.474 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.372 -0.659 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.908 0.140 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.748 -0.128 -6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.599 2.280 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.435 1.337 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.879 2.259 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.322 1.479 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.650 1.404 -8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.682 -0.045 -8.796 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.869 -2.433 -8.839 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.630 -3.166 -9.033 1.00 0.00 C ATOM 1164 C ARG A 75 -2.430 -2.230 -8.876 1.00 0.00 C ATOM 1165 O ARG A 75 -1.323 -2.556 -9.303 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.584 -3.814 -10.418 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.423 -5.093 -10.453 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.748 -6.213 -9.659 1.00 0.00 C ATOM 1169 NE ARG A 75 -4.363 -7.516 -9.999 1.00 0.00 N ATOM 1170 CZ ARG A 75 -4.203 -8.137 -11.176 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -3.449 -7.578 -12.132 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -4.799 -9.317 -11.397 1.00 0.00 N ATOM 0 H ARG A 75 -5.120 -1.809 -9.606 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.586 -3.949 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.954 -3.111 -11.165 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.552 -4.045 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.412 -4.895 -10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.566 -5.410 -11.486 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.681 -6.236 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.847 -6.023 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.944 -7.969 -9.294 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.996 -6.679 -11.964 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.328 -8.051 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.374 -9.742 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.678 -9.790 -12.293 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.689 -1.085 -8.262 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.644 -0.099 -8.043 1.00 0.00 C ATOM 1188 C GLU A 76 -2.088 0.920 -6.991 1.00 0.00 C ATOM 1189 O GLU A 76 -3.278 1.202 -6.858 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.262 0.594 -9.352 1.00 0.00 C ATOM 1191 CG GLU A 76 -0.409 1.836 -9.085 1.00 0.00 C ATOM 1192 CD GLU A 76 -1.287 3.047 -8.765 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.078 3.426 -9.656 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -1.148 3.567 -7.637 1.00 0.00 O ATOM 0 H GLU A 76 -3.608 -0.818 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.758 -0.613 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.712 -0.100 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.164 0.877 -9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.269 1.644 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.209 2.051 -9.957 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.107 1.445 -6.272 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.381 2.427 -5.236 1.00 0.00 C ATOM 1203 C LEU A 77 -0.148 3.311 -5.038 1.00 0.00 C ATOM 1204 O LEU A 77 0.920 3.022 -5.577 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.855 1.737 -3.956 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.068 0.495 -3.532 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.255 0.768 -2.265 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.994 -0.712 -3.369 1.00 0.00 C ATOM 0 H LEU A 77 -0.121 1.209 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.198 3.082 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.819 2.461 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.900 1.454 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.360 0.253 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.295 -0.130 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.448 1.580 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.928 1.049 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.409 -1.581 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.743 -0.496 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.491 -0.920 -4.317 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.336 4.369 -4.264 1.00 0.00 N ATOM 1221 CA TYR A 78 0.747 5.297 -3.988 1.00 0.00 C ATOM 1222 C TYR A 78 0.977 5.440 -2.482 1.00 0.00 C ATOM 1223 O TYR A 78 0.023 5.479 -1.706 1.00 0.00 O ATOM 1224 CB TYR A 78 0.302 6.646 -4.554 1.00 0.00 C ATOM 1225 CG TYR A 78 1.290 7.786 -4.297 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.335 8.003 -5.172 1.00 0.00 C ATOM 1227 CD2 TYR A 78 1.136 8.596 -3.191 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.265 9.076 -4.931 1.00 0.00 C ATOM 1229 CE2 TYR A 78 2.066 9.669 -2.949 1.00 0.00 C ATOM 1230 CZ TYR A 78 3.085 9.856 -3.831 1.00 0.00 C ATOM 1231 OH TYR A 78 3.963 10.869 -3.603 1.00 0.00 O ATOM 0 H TYR A 78 -1.223 4.605 -3.819 1.00 0.00 H new ATOM 0 HA TYR A 78 1.677 4.943 -4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.151 6.545 -5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.662 6.910 -4.120 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.455 7.368 -6.037 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.318 8.426 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.087 9.257 -5.608 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.957 10.311 -2.087 1.00 0.00 H new ATOM 0 HH TYR A 78 3.710 11.342 -2.783 1.00 0.00 H new ATOM 1241 N ALA A 79 2.247 5.513 -2.114 1.00 0.00 N ATOM 1242 CA ALA A 79 2.614 5.651 -0.714 1.00 0.00 C ATOM 1243 C ALA A 79 3.099 7.079 -0.457 1.00 0.00 C ATOM 1244 O ALA A 79 4.131 7.493 -0.982 1.00 0.00 O ATOM 1245 CB ALA A 79 3.671 4.604 -0.358 1.00 0.00 C ATOM 0 H ALA A 79 3.035 5.479 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 79 1.751 5.475 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.946 4.707 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.268 3.606 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.553 4.751 -0.981 1.00 0.00 H new ATOM 1251 N MET A 80 2.330 7.794 0.352 1.00 0.00 N ATOM 1252 CA MET A 80 2.668 9.167 0.685 1.00 0.00 C ATOM 1253 C MET A 80 3.333 9.250 2.061 1.00 0.00 C ATOM 1254 O MET A 80 2.966 8.514 2.976 1.00 0.00 O ATOM 1255 CB MET A 80 1.398 10.021 0.680 1.00 0.00 C ATOM 1256 CG MET A 80 1.734 11.504 0.858 1.00 0.00 C ATOM 1257 SD MET A 80 0.332 12.369 1.543 1.00 0.00 S ATOM 1258 CE MET A 80 -0.897 12.000 0.302 1.00 0.00 C ATOM 0 H MET A 80 1.474 7.448 0.786 1.00 0.00 H new ATOM 0 HA MET A 80 3.370 9.539 -0.061 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.862 9.876 -0.258 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.734 9.696 1.481 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.596 11.614 1.516 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.008 11.941 -0.102 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.338 12.928 -0.060 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.428 11.473 -0.529 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.676 11.373 0.736 1.00 0.00 H new ATOM 1268 N ASP A 81 4.298 10.151 2.163 1.00 0.00 N ATOM 1269 CA ASP A 81 5.018 10.339 3.411 1.00 0.00 C ATOM 1270 C ASP A 81 4.445 11.552 4.147 1.00 0.00 C ATOM 1271 O ASP A 81 4.657 12.691 3.732 1.00 0.00 O ATOM 1272 CB ASP A 81 6.504 10.598 3.157 1.00 0.00 C ATOM 1273 CG ASP A 81 7.448 9.513 3.678 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.168 8.999 4.783 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.428 9.221 2.960 1.00 0.00 O ATOM 0 H ASP A 81 4.599 10.759 1.402 1.00 0.00 H new ATOM 0 HA ASP A 81 4.907 9.431 4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.660 10.709 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.776 11.547 3.619 1.00 0.00 H new