USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 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 39 ASN : amide:sc= -3.3 K(o=-4,f=-1.2) USER MOD Set 1.2: A 42 THR OG1 : rot -150:sc= -0.693 USER MOD Set 2.1: A 32 SER OG : rot 170:sc= 0.994 USER MOD Set 2.2: A 55 LYS NZ :NH3+ 167:sc= 1.93 (180deg=0.872) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0389 (180deg=-0.307) USER MOD Single : A 9 TYR OH : rot -73:sc= 0.288 USER MOD Single : A 11 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 13 ASN : amide:sc= -0.841 K(o=-0.84,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -2.43! C(o=-2.4!,f=-4!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 8:sc= 1.19 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -130:sc= -1.18 USER MOD Single : A 45 MET CE :methyl 134:sc= -1.19 (180deg=-3.68!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0878 X(o=-0.088,f=0) USER MOD Single : A 53 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.27) USER MOD Single : A 59 ASN : amide:sc= -0.133 K(o=-0.13,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 8 -3.965 -6.202 12.035 1.00 0.00 N ATOM 112 CA LYS A 8 -4.037 -5.066 11.077 1.00 0.00 C ATOM 113 C LYS A 8 -3.523 -5.364 9.660 1.00 0.00 C ATOM 114 O LYS A 8 -3.064 -4.454 8.953 1.00 0.00 O ATOM 115 CB LYS A 8 -3.455 -3.740 11.667 1.00 0.00 C ATOM 116 CG LYS A 8 -2.081 -3.834 12.339 1.00 0.00 C ATOM 117 CD LYS A 8 -1.622 -2.488 12.907 1.00 0.00 C ATOM 118 CE LYS A 8 -1.198 -1.511 11.818 1.00 0.00 C ATOM 119 NZ LYS A 8 0.011 -1.981 11.109 1.00 0.00 N ATOM 0 HA LYS A 8 -5.107 -4.911 10.937 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.391 -3.008 10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.165 -3.351 12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.120 -4.571 13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.348 -4.190 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.431 -2.048 13.491 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.788 -2.651 13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.013 -1.383 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.005 -0.533 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.429 -1.193 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.703 -2.336 11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.247 -2.746 10.453 1.00 0.00 H new ATOM 133 N TYR A 9 -3.652 -6.622 9.248 1.00 0.00 N ATOM 134 CA TYR A 9 -3.304 -7.099 7.927 1.00 0.00 C ATOM 135 C TYR A 9 -1.814 -6.946 7.645 1.00 0.00 C ATOM 136 O TYR A 9 -0.988 -6.825 8.569 1.00 0.00 O ATOM 137 CB TYR A 9 -4.147 -6.397 6.851 1.00 0.00 C ATOM 138 CG TYR A 9 -4.849 -7.368 5.957 1.00 0.00 C ATOM 139 CD1 TYR A 9 -4.216 -8.534 5.561 1.00 0.00 C ATOM 140 CD2 TYR A 9 -6.144 -7.137 5.525 1.00 0.00 C ATOM 141 CE1 TYR A 9 -4.859 -9.456 4.765 1.00 0.00 C ATOM 142 CE2 TYR A 9 -6.792 -8.048 4.722 1.00 0.00 C ATOM 143 CZ TYR A 9 -6.150 -9.208 4.347 1.00 0.00 C ATOM 144 OH TYR A 9 -6.817 -10.140 3.570 1.00 0.00 O ATOM 0 H TYR A 9 -4.016 -7.359 9.852 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.530 -8.165 7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.883 -5.752 7.332 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.503 -5.754 6.251 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.202 -8.724 5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.652 -6.231 5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.357 -10.366 4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.800 -7.854 4.387 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.450 -10.131 2.661 1.00 0.00 H new ATOM 154 N ARG A 10 -1.461 -6.990 6.398 1.00 0.00 N ATOM 155 CA ARG A 10 -0.128 -6.837 6.022 1.00 0.00 C ATOM 156 C ARG A 10 -0.029 -5.496 5.340 1.00 0.00 C ATOM 157 O ARG A 10 -0.632 -5.268 4.297 1.00 0.00 O ATOM 158 CB ARG A 10 0.328 -7.966 5.102 1.00 0.00 C ATOM 159 CG ARG A 10 1.799 -8.369 5.283 1.00 0.00 C ATOM 160 CD ARG A 10 2.784 -7.339 4.753 1.00 0.00 C ATOM 161 NE ARG A 10 3.112 -7.550 3.331 1.00 0.00 N ATOM 162 CZ ARG A 10 2.826 -6.706 2.336 1.00 0.00 C ATOM 163 NH1 ARG A 10 1.908 -5.763 2.500 1.00 0.00 N ATOM 164 NH2 ARG A 10 3.401 -6.864 1.152 1.00 0.00 N ATOM 0 H ARG A 10 -2.108 -7.135 5.623 1.00 0.00 H new ATOM 0 HA ARG A 10 0.528 -6.881 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.301 -8.839 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.171 -7.662 4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.994 -8.533 6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.972 -9.318 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.365 -6.341 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.699 -7.379 5.343 1.00 0.00 H new ATOM 0 HE ARG A 10 3.598 -8.413 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.416 -5.679 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.694 -5.121 1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.060 -7.628 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.185 -6.221 0.390 1.00 0.00 H new ATOM 178 N THR A 11 0.673 -4.625 5.928 1.00 0.00 N ATOM 179 CA THR A 11 0.786 -3.281 5.414 1.00 0.00 C ATOM 180 C THR A 11 1.964 -3.195 4.424 1.00 0.00 C ATOM 181 O THR A 11 3.048 -3.746 4.668 1.00 0.00 O ATOM 182 CB THR A 11 0.879 -2.221 6.569 1.00 0.00 C ATOM 183 OG1 THR A 11 0.833 -0.869 6.058 1.00 0.00 O ATOM 184 CG2 THR A 11 2.139 -2.411 7.398 1.00 0.00 C ATOM 0 H THR A 11 1.199 -4.797 6.785 1.00 0.00 H new ATOM 0 HA THR A 11 -0.124 -3.036 4.866 1.00 0.00 H new ATOM 0 HB THR A 11 0.011 -2.380 7.209 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.065 -0.679 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.171 -1.661 8.188 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.135 -3.406 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.015 -2.302 6.759 1.00 0.00 H new ATOM 192 N PRO A 12 1.729 -2.590 3.252 1.00 0.00 N ATOM 193 CA PRO A 12 2.738 -2.485 2.212 1.00 0.00 C ATOM 194 C PRO A 12 3.859 -1.531 2.583 1.00 0.00 C ATOM 195 O PRO A 12 3.625 -0.429 3.090 1.00 0.00 O ATOM 196 CB PRO A 12 1.964 -1.950 1.003 1.00 0.00 C ATOM 197 CG PRO A 12 0.803 -1.228 1.590 1.00 0.00 C ATOM 198 CD PRO A 12 0.457 -1.950 2.858 1.00 0.00 C ATOM 0 HA PRO A 12 3.226 -3.443 2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.581 -1.284 0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.638 -2.760 0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.054 -0.187 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.042 -1.225 0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.099 -1.264 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.330 -2.687 2.698 1.00 0.00 H new ATOM 206 N ASN A 13 5.059 -1.969 2.365 1.00 0.00 N ATOM 207 CA ASN A 13 6.220 -1.145 2.585 1.00 0.00 C ATOM 208 C ASN A 13 6.417 -0.322 1.337 1.00 0.00 C ATOM 209 O ASN A 13 6.683 -0.866 0.264 1.00 0.00 O ATOM 210 CB ASN A 13 7.492 -1.984 2.868 1.00 0.00 C ATOM 211 CG ASN A 13 7.505 -2.815 4.195 1.00 0.00 C ATOM 212 OD1 ASN A 13 8.580 -3.018 4.765 1.00 0.00 O ATOM 213 ND2 ASN A 13 6.363 -3.342 4.683 1.00 0.00 N ATOM 0 H ASN A 13 5.268 -2.909 2.029 1.00 0.00 H new ATOM 0 HA ASN A 13 6.060 -0.520 3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.639 -2.671 2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.349 -1.310 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.385 -3.912 5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.478 -3.170 4.207 1.00 0.00 H new ATOM 220 N CYS A 14 6.283 0.970 1.480 1.00 0.00 N ATOM 221 CA CYS A 14 6.345 1.917 0.361 1.00 0.00 C ATOM 222 C CYS A 14 7.772 2.008 -0.208 1.00 0.00 C ATOM 223 O CYS A 14 7.971 2.467 -1.328 1.00 0.00 O ATOM 224 CB CYS A 14 5.844 3.302 0.849 1.00 0.00 C ATOM 225 SG CYS A 14 5.808 4.650 -0.392 1.00 0.00 S ATOM 0 H CYS A 14 6.125 1.416 2.384 1.00 0.00 H new ATOM 0 HA CYS A 14 5.703 1.567 -0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.836 3.178 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.477 3.620 1.678 1.00 0.00 H new ATOM 230 N SER A 15 8.750 1.551 0.581 1.00 0.00 N ATOM 231 CA SER A 15 10.155 1.551 0.195 1.00 0.00 C ATOM 232 C SER A 15 10.385 0.856 -1.163 1.00 0.00 C ATOM 233 O SER A 15 10.937 1.458 -2.086 1.00 0.00 O ATOM 234 CB SER A 15 10.966 0.886 1.296 1.00 0.00 C ATOM 235 OG SER A 15 10.658 1.487 2.550 1.00 0.00 O ATOM 0 H SER A 15 8.582 1.169 1.512 1.00 0.00 H new ATOM 0 HA SER A 15 10.483 2.583 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.745 -0.181 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.031 0.985 1.086 1.00 0.00 H new ATOM 0 HG SER A 15 11.181 1.055 3.257 1.00 0.00 H new ATOM 241 N GLN A 16 9.948 -0.383 -1.304 1.00 0.00 N ATOM 242 CA GLN A 16 10.111 -1.052 -2.569 1.00 0.00 C ATOM 243 C GLN A 16 8.921 -0.847 -3.433 1.00 0.00 C ATOM 244 O GLN A 16 7.944 -1.545 -3.248 1.00 0.00 O ATOM 245 CB GLN A 16 10.397 -2.560 -2.446 1.00 0.00 C ATOM 246 CG GLN A 16 10.307 -3.318 -3.847 1.00 0.00 C ATOM 247 CD GLN A 16 10.688 -4.812 -3.752 1.00 0.00 C ATOM 248 OE1 GLN A 16 11.481 -5.204 -2.887 1.00 0.00 O ATOM 249 NE2 GLN A 16 10.176 -5.658 -4.644 1.00 0.00 N ATOM 0 H GLN A 16 9.490 -0.930 -0.575 1.00 0.00 H new ATOM 0 HA GLN A 16 10.991 -0.597 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.391 -2.704 -2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.686 -3.005 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.292 -3.232 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.965 -2.826 -4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.523 -5.320 -5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.437 -6.644 -4.620 1.00 0.00 H new ATOM 258 N TYR A 17 9.012 0.186 -4.269 1.00 0.00 N ATOM 259 CA TYR A 17 8.142 0.533 -5.421 1.00 0.00 C ATOM 260 C TYR A 17 8.807 1.666 -6.123 1.00 0.00 C ATOM 261 O TYR A 17 9.129 2.674 -5.502 1.00 0.00 O ATOM 262 CB TYR A 17 6.638 0.862 -5.102 1.00 0.00 C ATOM 263 CG TYR A 17 5.878 -0.368 -4.708 1.00 0.00 C ATOM 264 CD1 TYR A 17 6.083 -1.543 -5.421 1.00 0.00 C ATOM 265 CD2 TYR A 17 5.078 -0.410 -3.575 1.00 0.00 C ATOM 266 CE1 TYR A 17 5.518 -2.713 -5.039 1.00 0.00 C ATOM 267 CE2 TYR A 17 4.502 -1.599 -3.167 1.00 0.00 C ATOM 268 CZ TYR A 17 4.731 -2.758 -3.907 1.00 0.00 C ATOM 269 OH TYR A 17 4.173 -3.964 -3.514 1.00 0.00 O ATOM 0 H TYR A 17 9.760 0.871 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 17 8.050 -0.361 -6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.588 1.595 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.170 1.315 -5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.708 -1.523 -6.301 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.904 0.492 -3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.683 -3.609 -5.619 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.881 -1.629 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 17 3.647 -3.831 -2.698 1.00 0.00 H new ATOM 279 N ARG A 18 9.098 1.495 -7.381 1.00 0.00 N ATOM 280 CA ARG A 18 9.853 2.492 -8.081 1.00 0.00 C ATOM 281 C ARG A 18 8.966 3.543 -8.691 1.00 0.00 C ATOM 282 O ARG A 18 7.842 3.245 -9.105 1.00 0.00 O ATOM 283 CB ARG A 18 10.814 1.870 -9.072 1.00 0.00 C ATOM 284 CG ARG A 18 11.737 0.894 -8.375 1.00 0.00 C ATOM 285 CD ARG A 18 12.656 1.538 -7.333 1.00 0.00 C ATOM 286 NE ARG A 18 13.673 2.414 -7.911 1.00 0.00 N ATOM 287 CZ ARG A 18 14.495 3.198 -7.192 1.00 0.00 C ATOM 288 NH1 ARG A 18 14.344 3.310 -5.875 1.00 0.00 N ATOM 289 NH2 ARG A 18 15.453 3.875 -7.796 1.00 0.00 N ATOM 0 H ARG A 18 8.827 0.684 -7.937 1.00 0.00 H new ATOM 0 HA ARG A 18 10.470 3.014 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.256 1.356 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.400 2.650 -9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.136 0.126 -7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.350 0.392 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.050 2.112 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.148 0.752 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 18 13.765 2.432 -8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.599 2.798 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.973 3.907 -5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.569 3.803 -8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.078 4.470 -7.252 1.00 0.00 H new ATOM 303 N LEU A 19 9.521 4.739 -8.788 1.00 0.00 N ATOM 304 CA LEU A 19 8.836 5.977 -9.137 1.00 0.00 C ATOM 305 C LEU A 19 8.169 6.567 -7.926 1.00 0.00 C ATOM 306 O LEU A 19 7.122 6.099 -7.484 1.00 0.00 O ATOM 307 CB LEU A 19 7.875 5.927 -10.368 1.00 0.00 C ATOM 308 CG LEU A 19 8.542 5.984 -11.757 1.00 0.00 C ATOM 309 CD1 LEU A 19 9.497 4.817 -12.003 1.00 0.00 C ATOM 310 CD2 LEU A 19 7.501 6.064 -12.862 1.00 0.00 C ATOM 0 H LEU A 19 10.516 4.883 -8.616 1.00 0.00 H new ATOM 0 HA LEU A 19 9.631 6.637 -9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.288 5.010 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.175 6.759 -10.290 1.00 0.00 H new ATOM 0 HG LEU A 19 9.141 6.894 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.937 4.910 -12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.288 4.830 -11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.948 3.878 -11.936 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.000 6.103 -13.830 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.858 5.185 -12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.897 6.962 -12.729 1.00 0.00 H new ATOM 322 N PRO A 20 8.799 7.599 -7.329 1.00 0.00 N ATOM 323 CA PRO A 20 8.233 8.318 -6.188 1.00 0.00 C ATOM 324 C PRO A 20 7.239 9.348 -6.683 1.00 0.00 C ATOM 325 O PRO A 20 6.743 10.201 -5.936 1.00 0.00 O ATOM 326 CB PRO A 20 9.447 9.006 -5.577 1.00 0.00 C ATOM 327 CG PRO A 20 10.318 9.298 -6.743 1.00 0.00 C ATOM 328 CD PRO A 20 10.124 8.148 -7.707 1.00 0.00 C ATOM 0 HA PRO A 20 7.705 7.677 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.166 9.918 -5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.949 8.362 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.045 10.246 -7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.362 9.381 -6.439 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.138 8.486 -8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.912 7.402 -7.605 1.00 0.00 H new ATOM 336 N GLY A 21 6.990 9.286 -7.962 1.00 0.00 N ATOM 337 CA GLY A 21 6.049 10.116 -8.545 1.00 0.00 C ATOM 338 C GLY A 21 4.707 9.462 -8.555 1.00 0.00 C ATOM 339 O GLY A 21 4.334 8.731 -7.623 1.00 0.00 O ATOM 0 H GLY A 21 7.452 8.645 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.997 11.057 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.350 10.357 -9.565 1.00 0.00 H new ATOM 343 N CYS A 22 4.030 9.633 -9.613 1.00 0.00 N ATOM 344 CA CYS A 22 2.671 9.194 -9.712 1.00 0.00 C ATOM 345 C CYS A 22 2.592 7.990 -10.630 1.00 0.00 C ATOM 346 O CYS A 22 3.564 7.724 -11.359 1.00 0.00 O ATOM 347 CB CYS A 22 1.773 10.376 -10.138 1.00 0.00 C ATOM 348 SG CYS A 22 1.642 11.699 -8.863 1.00 0.00 S ATOM 0 H CYS A 22 4.390 10.084 -10.454 1.00 0.00 H new ATOM 0 HA CYS A 22 2.295 8.863 -8.744 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.167 10.807 -11.058 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.775 10.000 -10.364 1.00 0.00 H new ATOM 353 N PRO A 23 1.472 7.208 -10.595 1.00 0.00 N ATOM 354 CA PRO A 23 1.346 5.983 -11.363 1.00 0.00 C ATOM 355 C PRO A 23 1.593 6.128 -12.846 1.00 0.00 C ATOM 356 O PRO A 23 1.317 7.152 -13.491 1.00 0.00 O ATOM 357 CB PRO A 23 -0.081 5.519 -11.114 1.00 0.00 C ATOM 358 CG PRO A 23 -0.753 6.739 -10.685 1.00 0.00 C ATOM 359 CD PRO A 23 0.241 7.431 -9.821 1.00 0.00 C ATOM 0 HA PRO A 23 2.111 5.277 -11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.533 5.105 -12.015 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.126 4.744 -10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.035 7.357 -11.537 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.668 6.516 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.016 8.490 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.295 6.997 -8.822 1.00 0.00 H new ATOM 367 N ARG A 24 2.065 5.068 -13.338 1.00 0.00 N ATOM 368 CA ARG A 24 2.456 4.841 -14.664 1.00 0.00 C ATOM 369 C ARG A 24 1.485 3.803 -15.260 1.00 0.00 C ATOM 370 O ARG A 24 1.619 3.339 -16.390 1.00 0.00 O ATOM 371 CB ARG A 24 3.841 4.304 -14.503 1.00 0.00 C ATOM 372 CG ARG A 24 4.470 3.721 -15.684 1.00 0.00 C ATOM 373 CD ARG A 24 5.904 3.493 -15.351 1.00 0.00 C ATOM 374 NE ARG A 24 6.646 2.717 -16.347 1.00 0.00 N ATOM 375 CZ ARG A 24 7.685 1.910 -16.052 1.00 0.00 C ATOM 376 NH1 ARG A 24 8.064 1.730 -14.778 1.00 0.00 N ATOM 377 NH2 ARG A 24 8.333 1.263 -17.018 1.00 0.00 N ATOM 0 H ARG A 24 2.205 4.240 -12.759 1.00 0.00 H new ATOM 0 HA ARG A 24 2.438 5.706 -15.327 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.478 5.113 -14.145 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.821 3.545 -13.721 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.984 2.784 -15.956 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.375 4.389 -16.540 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.392 4.459 -15.226 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.963 2.979 -14.392 1.00 0.00 H new ATOM 0 HE ARG A 24 6.359 2.792 -17.323 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.565 2.205 -14.026 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.851 1.118 -14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.045 1.376 -17.990 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.118 0.654 -16.786 1.00 0.00 H new ATOM 391 N HIS A 25 0.448 3.549 -14.463 1.00 0.00 N ATOM 392 CA HIS A 25 -0.577 2.525 -14.671 1.00 0.00 C ATOM 393 C HIS A 25 -0.131 1.182 -14.192 1.00 0.00 C ATOM 394 O HIS A 25 0.216 0.301 -14.970 1.00 0.00 O ATOM 395 CB HIS A 25 -1.207 2.461 -16.076 1.00 0.00 C ATOM 396 CG HIS A 25 -2.142 3.578 -16.362 1.00 0.00 C ATOM 397 ND1 HIS A 25 -3.506 3.469 -16.220 1.00 0.00 N ATOM 398 CD2 HIS A 25 -1.909 4.835 -16.774 1.00 0.00 C ATOM 399 CE1 HIS A 25 -4.067 4.614 -16.529 1.00 0.00 C ATOM 400 NE2 HIS A 25 -3.117 5.457 -16.869 1.00 0.00 N ATOM 0 H HIS A 25 0.291 4.081 -13.607 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.402 2.862 -14.043 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.412 2.464 -16.822 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.740 1.516 -16.183 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.945 5.271 -16.990 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.126 4.827 -16.508 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.262 6.424 -17.158 1.00 0.00 H new ATOM 409 N PHE A 26 -0.071 1.065 -12.898 1.00 0.00 N ATOM 410 CA PHE A 26 0.258 -0.157 -12.235 1.00 0.00 C ATOM 411 C PHE A 26 -0.354 -0.103 -10.867 1.00 0.00 C ATOM 412 O PHE A 26 -0.343 0.955 -10.233 1.00 0.00 O ATOM 413 CB PHE A 26 1.801 -0.428 -12.175 1.00 0.00 C ATOM 414 CG PHE A 26 2.656 0.567 -11.394 1.00 0.00 C ATOM 415 CD1 PHE A 26 3.093 1.741 -11.980 1.00 0.00 C ATOM 416 CD2 PHE A 26 3.044 0.301 -10.082 1.00 0.00 C ATOM 417 CE1 PHE A 26 3.891 2.633 -11.277 1.00 0.00 C ATOM 418 CE2 PHE A 26 3.841 1.182 -9.383 1.00 0.00 C ATOM 419 CZ PHE A 26 4.265 2.350 -9.980 1.00 0.00 C ATOM 0 H PHE A 26 -0.255 1.839 -12.260 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.146 -0.995 -12.803 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.953 -1.417 -11.742 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.177 -0.466 -13.197 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.810 1.967 -12.997 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.715 -0.610 -9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.219 3.549 -11.746 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.133 0.957 -8.368 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.889 3.042 -9.433 1.00 0.00 H new ATOM 429 N ASN A 27 -0.946 -1.189 -10.442 1.00 0.00 N ATOM 430 CA ASN A 27 -1.546 -1.274 -9.131 1.00 0.00 C ATOM 431 C ASN A 27 -1.266 -2.680 -8.559 1.00 0.00 C ATOM 432 O ASN A 27 -2.070 -3.606 -8.713 1.00 0.00 O ATOM 433 CB ASN A 27 -3.133 -0.895 -9.128 1.00 0.00 C ATOM 434 CG ASN A 27 -3.413 0.612 -9.217 1.00 0.00 C ATOM 435 OD1 ASN A 27 -2.666 1.446 -8.683 1.00 0.00 O ATOM 436 ND2 ASN A 27 -4.468 0.973 -9.914 1.00 0.00 N ATOM 0 H ASN A 27 -1.027 -2.042 -10.995 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.091 -0.524 -8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.617 -1.395 -9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.588 -1.286 -8.218 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.691 1.962 -10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.064 0.264 -10.342 1.00 0.00 H new ATOM 443 N PRO A 28 -0.043 -2.860 -8.018 1.00 0.00 N ATOM 444 CA PRO A 28 0.395 -4.087 -7.352 1.00 0.00 C ATOM 445 C PRO A 28 -0.520 -4.631 -6.275 1.00 0.00 C ATOM 446 O PRO A 28 -0.858 -5.790 -6.298 1.00 0.00 O ATOM 447 CB PRO A 28 1.736 -3.722 -6.727 1.00 0.00 C ATOM 448 CG PRO A 28 2.268 -2.619 -7.573 1.00 0.00 C ATOM 449 CD PRO A 28 1.075 -1.917 -8.182 1.00 0.00 C ATOM 0 HA PRO A 28 0.421 -4.886 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.615 -3.402 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.414 -4.576 -6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.860 -1.926 -6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.924 -3.011 -8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.872 -0.972 -7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.246 -1.686 -9.233 1.00 0.00 H new ATOM 457 N VAL A 29 -0.946 -3.808 -5.374 1.00 0.00 N ATOM 458 CA VAL A 29 -1.604 -4.301 -4.193 1.00 0.00 C ATOM 459 C VAL A 29 -3.093 -4.085 -4.196 1.00 0.00 C ATOM 460 O VAL A 29 -3.638 -3.293 -4.967 1.00 0.00 O ATOM 461 CB VAL A 29 -0.959 -3.764 -2.895 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.497 -4.229 -2.798 1.00 0.00 C ATOM 463 CG2 VAL A 29 -1.063 -2.238 -2.787 1.00 0.00 C ATOM 0 H VAL A 29 -0.854 -2.793 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.455 -5.381 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.515 -4.175 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.941 -3.845 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.531 -5.318 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.056 -3.855 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.597 -1.906 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.554 -1.778 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.112 -1.944 -2.791 1.00 0.00 H new ATOM 473 N CYS A 30 -3.730 -4.773 -3.324 1.00 0.00 N ATOM 474 CA CYS A 30 -5.139 -4.793 -3.237 1.00 0.00 C ATOM 475 C CYS A 30 -5.587 -4.085 -2.001 1.00 0.00 C ATOM 476 O CYS A 30 -5.183 -4.408 -0.905 1.00 0.00 O ATOM 477 CB CYS A 30 -5.655 -6.233 -3.268 1.00 0.00 C ATOM 478 SG CYS A 30 -5.334 -7.100 -4.848 1.00 0.00 S ATOM 0 H CYS A 30 -3.268 -5.358 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.555 -4.270 -4.098 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.190 -6.793 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.728 -6.228 -3.079 1.00 0.00 H new ATOM 483 N GLY A 31 -6.405 -3.140 -2.206 1.00 0.00 N ATOM 484 CA GLY A 31 -6.943 -2.316 -1.177 1.00 0.00 C ATOM 485 C GLY A 31 -7.798 -3.015 -0.158 1.00 0.00 C ATOM 486 O GLY A 31 -8.844 -3.547 -0.490 1.00 0.00 O ATOM 0 H GLY A 31 -6.744 -2.896 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.117 -1.830 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.536 -1.528 -1.641 1.00 0.00 H new ATOM 490 N SER A 32 -7.356 -3.013 1.102 1.00 0.00 N ATOM 491 CA SER A 32 -8.183 -3.539 2.177 1.00 0.00 C ATOM 492 C SER A 32 -9.229 -2.482 2.479 1.00 0.00 C ATOM 493 O SER A 32 -10.396 -2.781 2.750 1.00 0.00 O ATOM 494 CB SER A 32 -7.331 -3.814 3.418 1.00 0.00 C ATOM 495 OG SER A 32 -8.101 -4.157 4.560 1.00 0.00 O ATOM 0 H SER A 32 -6.445 -2.658 1.394 1.00 0.00 H new ATOM 0 HA SER A 32 -8.650 -4.480 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.635 -4.624 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.733 -2.931 3.643 1.00 0.00 H new ATOM 0 HG SER A 32 -7.507 -4.476 5.271 1.00 0.00 H new ATOM 501 N ASP A 33 -8.802 -1.226 2.335 1.00 0.00 N ATOM 502 CA ASP A 33 -9.642 -0.063 2.563 1.00 0.00 C ATOM 503 C ASP A 33 -10.414 0.312 1.297 1.00 0.00 C ATOM 504 O ASP A 33 -10.825 1.461 1.125 1.00 0.00 O ATOM 505 CB ASP A 33 -8.771 1.106 3.046 1.00 0.00 C ATOM 506 CG ASP A 33 -8.162 0.846 4.414 1.00 0.00 C ATOM 507 OD1 ASP A 33 -7.290 -0.040 4.541 1.00 0.00 O ATOM 508 OD2 ASP A 33 -8.572 1.485 5.385 1.00 0.00 O ATOM 0 H ASP A 33 -7.850 -0.992 2.053 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.377 -0.299 3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.974 1.285 2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.374 2.013 3.086 1.00 0.00 H new ATOM 513 N MET A 34 -10.623 -0.691 0.437 1.00 0.00 N ATOM 514 CA MET A 34 -11.400 -0.588 -0.805 1.00 0.00 C ATOM 515 C MET A 34 -10.759 0.355 -1.830 1.00 0.00 C ATOM 516 O MET A 34 -11.223 1.476 -2.033 1.00 0.00 O ATOM 517 CB MET A 34 -12.872 -0.214 -0.520 1.00 0.00 C ATOM 518 CG MET A 34 -13.777 -0.143 -1.743 1.00 0.00 C ATOM 519 SD MET A 34 -15.460 0.336 -1.311 1.00 0.00 S ATOM 520 CE MET A 34 -16.200 0.423 -2.935 1.00 0.00 C ATOM 0 H MET A 34 -10.245 -1.626 0.590 1.00 0.00 H new ATOM 0 HA MET A 34 -11.393 -1.578 -1.260 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.286 -0.944 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.893 0.753 -0.017 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.368 0.573 -2.456 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.792 -1.113 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 34 -17.248 0.709 -2.843 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.673 1.164 -3.536 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.131 -0.551 -3.419 1.00 0.00 H new ATOM 530 N SER A 35 -9.681 -0.124 -2.449 1.00 0.00 N ATOM 531 CA SER A 35 -8.878 0.578 -3.472 1.00 0.00 C ATOM 532 C SER A 35 -7.702 -0.317 -3.941 1.00 0.00 C ATOM 533 O SER A 35 -6.778 -0.470 -3.252 1.00 0.00 O ATOM 534 CB SER A 35 -8.270 1.916 -2.942 1.00 0.00 C ATOM 535 OG SER A 35 -9.241 2.927 -2.683 1.00 0.00 O ATOM 0 H SER A 35 -9.319 -1.056 -2.247 1.00 0.00 H new ATOM 0 HA SER A 35 -9.559 0.799 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.716 1.714 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.553 2.292 -3.672 1.00 0.00 H new ATOM 0 HG SER A 35 -10.140 2.549 -2.777 1.00 0.00 H new ATOM 541 N THR A 36 -7.792 -0.930 -5.068 1.00 0.00 N ATOM 542 CA THR A 36 -6.632 -1.662 -5.646 1.00 0.00 C ATOM 543 C THR A 36 -5.601 -0.617 -6.178 1.00 0.00 C ATOM 544 O THR A 36 -5.908 0.183 -7.069 1.00 0.00 O ATOM 545 CB THR A 36 -7.104 -2.571 -6.805 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.199 -3.385 -6.343 1.00 0.00 O ATOM 547 CG2 THR A 36 -5.982 -3.480 -7.294 1.00 0.00 C ATOM 0 H THR A 36 -8.639 -0.961 -5.636 1.00 0.00 H new ATOM 0 HA THR A 36 -6.170 -2.287 -4.882 1.00 0.00 H new ATOM 0 HB THR A 36 -7.415 -1.936 -7.635 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.506 -3.964 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.349 -4.105 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.150 -2.872 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.644 -4.114 -6.474 1.00 0.00 H new ATOM 555 N TYR A 37 -4.410 -0.615 -5.581 1.00 0.00 N ATOM 556 CA TYR A 37 -3.405 0.449 -5.757 1.00 0.00 C ATOM 557 C TYR A 37 -1.972 -0.019 -5.573 1.00 0.00 C ATOM 558 O TYR A 37 -1.721 -1.194 -5.538 1.00 0.00 O ATOM 559 CB TYR A 37 -3.643 1.596 -4.765 1.00 0.00 C ATOM 560 CG TYR A 37 -4.094 1.270 -3.390 1.00 0.00 C ATOM 561 CD1 TYR A 37 -3.947 0.016 -2.819 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.684 2.252 -2.664 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.391 -0.232 -1.559 1.00 0.00 C ATOM 564 CE2 TYR A 37 -5.138 2.030 -1.419 1.00 0.00 C ATOM 565 CZ TYR A 37 -4.997 0.774 -0.850 1.00 0.00 C ATOM 566 OH TYR A 37 -5.495 0.520 0.406 1.00 0.00 O ATOM 0 H TYR A 37 -4.106 -1.358 -4.952 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.529 0.778 -6.789 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.713 2.159 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.383 2.265 -5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.474 -0.774 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.791 3.236 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.268 -1.211 -1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.611 2.827 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.416 0.849 0.465 1.00 0.00 H new ATOM 576 N ALA A 38 -1.046 0.984 -5.576 1.00 0.00 N ATOM 577 CA ALA A 38 0.373 0.911 -5.067 1.00 0.00 C ATOM 578 C ALA A 38 1.239 1.892 -5.793 1.00 0.00 C ATOM 579 O ALA A 38 1.831 1.561 -6.795 1.00 0.00 O ATOM 580 CB ALA A 38 1.055 -0.462 -5.147 1.00 0.00 C ATOM 0 H ALA A 38 -1.269 1.908 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 38 0.273 1.142 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.069 -0.388 -4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.489 -1.184 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.093 -0.790 -6.186 1.00 0.00 H new ATOM 586 N ASN A 39 1.288 3.095 -5.296 1.00 0.00 N ATOM 587 CA ASN A 39 2.110 4.140 -5.900 1.00 0.00 C ATOM 588 C ASN A 39 2.457 5.093 -4.827 1.00 0.00 C ATOM 589 O ASN A 39 1.837 5.052 -3.768 1.00 0.00 O ATOM 590 CB ASN A 39 1.388 4.907 -7.051 1.00 0.00 C ATOM 591 CG ASN A 39 0.857 4.003 -8.146 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.546 3.691 -9.091 1.00 0.00 O ATOM 593 ND2 ASN A 39 -0.405 3.660 -8.055 1.00 0.00 N ATOM 0 H ASN A 39 0.770 3.391 -4.469 1.00 0.00 H new ATOM 0 HA ASN A 39 2.987 3.672 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.561 5.479 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.082 5.624 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.839 3.111 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.953 3.942 -7.242 1.00 0.00 H new ATOM 600 N GLU A 40 3.385 5.976 -5.069 1.00 0.00 N ATOM 601 CA GLU A 40 3.734 6.975 -4.070 1.00 0.00 C ATOM 602 C GLU A 40 2.584 8.006 -4.033 1.00 0.00 C ATOM 603 O GLU A 40 2.256 8.569 -3.007 1.00 0.00 O ATOM 604 CB GLU A 40 5.060 7.645 -4.453 1.00 0.00 C ATOM 605 CG GLU A 40 5.971 8.090 -3.285 1.00 0.00 C ATOM 606 CD GLU A 40 5.365 9.096 -2.329 1.00 0.00 C ATOM 607 OE1 GLU A 40 4.792 10.095 -2.778 1.00 0.00 O ATOM 608 OE2 GLU A 40 5.479 8.895 -1.087 1.00 0.00 O ATOM 0 H GLU A 40 3.915 6.034 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 40 3.863 6.525 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.623 6.954 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.836 8.520 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.262 7.206 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.884 8.516 -3.702 1.00 0.00 H new ATOM 615 N CYS A 41 1.857 8.061 -5.133 1.00 0.00 N ATOM 616 CA CYS A 41 0.800 9.054 -5.317 1.00 0.00 C ATOM 617 C CYS A 41 -0.510 8.419 -5.049 1.00 0.00 C ATOM 618 O CYS A 41 -1.531 9.082 -4.925 1.00 0.00 O ATOM 619 CB CYS A 41 0.784 9.681 -6.724 1.00 0.00 C ATOM 620 SG CYS A 41 2.167 10.801 -7.103 1.00 0.00 S ATOM 0 H CYS A 41 1.976 7.426 -5.923 1.00 0.00 H new ATOM 0 HA CYS A 41 0.999 9.865 -4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.779 8.877 -7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.149 10.231 -6.846 1.00 0.00 H new ATOM 625 N THR A 42 -0.493 7.125 -4.967 1.00 0.00 N ATOM 626 CA THR A 42 -1.674 6.440 -4.686 1.00 0.00 C ATOM 627 C THR A 42 -1.626 5.956 -3.273 1.00 0.00 C ATOM 628 O THR A 42 -2.392 6.428 -2.458 1.00 0.00 O ATOM 629 CB THR A 42 -1.944 5.322 -5.670 1.00 0.00 C ATOM 630 OG1 THR A 42 -1.683 5.829 -6.978 1.00 0.00 O ATOM 631 CG2 THR A 42 -3.402 4.908 -5.604 1.00 0.00 C ATOM 0 H THR A 42 0.333 6.540 -5.093 1.00 0.00 H new ATOM 0 HA THR A 42 -2.515 7.125 -4.799 1.00 0.00 H new ATOM 0 HB THR A 42 -1.316 4.462 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.258 5.371 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.584 4.103 -6.316 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.637 4.562 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.034 5.761 -5.851 1.00 0.00 H new ATOM 639 N LEU A 43 -0.648 5.101 -2.918 1.00 0.00 N ATOM 640 CA LEU A 43 -0.666 4.682 -1.497 1.00 0.00 C ATOM 641 C LEU A 43 0.005 5.597 -0.702 1.00 0.00 C ATOM 642 O LEU A 43 -0.440 5.912 0.242 1.00 0.00 O ATOM 643 CB LEU A 43 0.008 3.417 -1.087 1.00 0.00 C ATOM 644 CG LEU A 43 -0.611 2.186 -1.498 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.302 1.013 -1.186 1.00 0.00 C ATOM 646 CD2 LEU A 43 -1.891 2.059 -0.756 1.00 0.00 C ATOM 0 H LEU A 43 0.088 4.720 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.743 4.574 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.025 3.432 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.085 3.411 0.000 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.795 2.188 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.176 0.086 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.245 1.134 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.493 0.976 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.389 1.133 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.691 2.045 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.535 2.906 -0.993 1.00 0.00 H new ATOM 658 N CYS A 44 1.128 5.978 -1.075 1.00 0.00 N ATOM 659 CA CYS A 44 1.927 6.703 -0.138 1.00 0.00 C ATOM 660 C CYS A 44 1.371 8.089 0.230 1.00 0.00 C ATOM 661 O CYS A 44 1.686 8.627 1.280 1.00 0.00 O ATOM 662 CB CYS A 44 3.387 6.586 -0.475 1.00 0.00 C ATOM 663 SG CYS A 44 3.840 4.841 -0.853 1.00 0.00 S ATOM 0 H CYS A 44 1.540 5.822 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 44 1.850 6.222 0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.618 7.219 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.987 6.948 0.360 1.00 0.00 H new ATOM 668 N MET A 45 0.503 8.607 -0.611 1.00 0.00 N ATOM 669 CA MET A 45 -0.337 9.733 -0.241 1.00 0.00 C ATOM 670 C MET A 45 -1.332 9.220 0.767 1.00 0.00 C ATOM 671 O MET A 45 -1.372 9.659 1.920 1.00 0.00 O ATOM 672 CB MET A 45 -1.083 10.260 -1.461 1.00 0.00 C ATOM 673 CG MET A 45 -0.221 10.923 -2.499 1.00 0.00 C ATOM 674 SD MET A 45 0.435 12.581 -2.074 1.00 0.00 S ATOM 675 CE MET A 45 1.774 12.244 -0.912 1.00 0.00 C ATOM 0 H MET A 45 0.358 8.267 -1.561 1.00 0.00 H new ATOM 0 HA MET A 45 0.266 10.545 0.166 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.615 9.431 -1.928 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.836 10.974 -1.127 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.622 10.266 -2.713 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.799 11.010 -3.419 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.650 12.831 -1.186 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.458 12.513 0.096 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.024 11.184 -0.943 1.00 0.00 H new ATOM 685 N LYS A 46 -2.077 8.224 0.321 1.00 0.00 N ATOM 686 CA LYS A 46 -3.074 7.523 1.083 1.00 0.00 C ATOM 687 C LYS A 46 -2.572 7.093 2.440 1.00 0.00 C ATOM 688 O LYS A 46 -3.211 7.365 3.455 1.00 0.00 O ATOM 689 CB LYS A 46 -3.433 6.254 0.351 1.00 0.00 C ATOM 690 CG LYS A 46 -4.875 5.969 0.225 1.00 0.00 C ATOM 691 CD LYS A 46 -5.576 6.970 -0.679 1.00 0.00 C ATOM 692 CE LYS A 46 -7.032 6.596 -0.891 1.00 0.00 C ATOM 693 NZ LYS A 46 -7.758 7.595 -1.702 1.00 0.00 N ATOM 0 H LYS A 46 -1.992 7.871 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.915 8.205 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.003 6.300 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.960 5.416 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.012 4.963 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.336 5.987 1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.514 7.966 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.066 7.014 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.087 5.624 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.522 6.492 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.747 7.295 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.730 8.518 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.309 7.677 -2.636 1.00 0.00 H new ATOM 707 N ILE A 47 -1.441 6.435 2.444 1.00 0.00 N ATOM 708 CA ILE A 47 -0.996 5.779 3.559 1.00 0.00 C ATOM 709 C ILE A 47 -0.500 6.769 4.599 1.00 0.00 C ATOM 710 O ILE A 47 -0.656 6.569 5.802 1.00 0.00 O ATOM 711 CB ILE A 47 0.057 4.665 3.235 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.050 3.581 4.287 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.492 5.213 3.201 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.813 2.360 4.029 1.00 0.00 C ATOM 0 H ILE A 47 -0.821 6.363 1.637 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.847 5.248 3.985 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.159 4.268 2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.222 4.004 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.091 3.265 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.185 4.403 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.569 5.984 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.741 5.641 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.671 1.638 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.528 1.907 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.861 2.657 3.989 1.00 0.00 H new ATOM 726 N ARG A 48 0.098 7.852 4.098 1.00 0.00 N ATOM 727 CA ARG A 48 0.659 8.868 4.933 1.00 0.00 C ATOM 728 C ARG A 48 -0.455 9.661 5.569 1.00 0.00 C ATOM 729 O ARG A 48 -0.425 9.917 6.782 1.00 0.00 O ATOM 730 CB ARG A 48 1.466 9.775 4.025 1.00 0.00 C ATOM 731 CG ARG A 48 2.146 10.961 4.647 1.00 0.00 C ATOM 732 CD ARG A 48 2.644 11.849 3.530 1.00 0.00 C ATOM 733 NE ARG A 48 3.241 13.091 3.992 1.00 0.00 N ATOM 734 CZ ARG A 48 2.760 14.308 3.696 1.00 0.00 C ATOM 735 NH1 ARG A 48 1.554 14.444 3.138 1.00 0.00 N ATOM 736 NH2 ARG A 48 3.464 15.385 4.000 1.00 0.00 N ATOM 0 H ARG A 48 0.197 8.032 3.099 1.00 0.00 H new ATOM 0 HA ARG A 48 1.279 8.440 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.229 9.168 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.802 10.142 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.453 11.506 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.975 10.639 5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.379 11.300 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.813 12.081 2.865 1.00 0.00 H new ATOM 0 HE ARG A 48 4.075 13.034 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.991 13.619 2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.196 15.373 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.370 15.289 4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.101 16.312 3.776 1.00 0.00 H new ATOM 750 N GLU A 49 -1.488 9.958 4.771 1.00 0.00 N ATOM 751 CA GLU A 49 -2.633 10.730 5.238 1.00 0.00 C ATOM 752 C GLU A 49 -3.699 10.943 4.189 1.00 0.00 C ATOM 753 O GLU A 49 -4.386 11.970 4.209 1.00 0.00 O ATOM 754 CB GLU A 49 -2.229 12.082 5.865 1.00 0.00 C ATOM 755 CG GLU A 49 -1.164 12.926 5.109 1.00 0.00 C ATOM 756 CD GLU A 49 -1.537 13.359 3.705 1.00 0.00 C ATOM 757 OE1 GLU A 49 -2.433 14.214 3.546 1.00 0.00 O ATOM 758 OE2 GLU A 49 -0.896 12.891 2.732 1.00 0.00 O ATOM 0 H GLU A 49 -1.549 9.671 3.794 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.070 10.106 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.129 12.688 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.856 11.890 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.950 13.817 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.241 12.349 5.057 1.00 0.00 H new ATOM 765 N GLY A 50 -3.916 9.973 3.319 1.00 0.00 N ATOM 766 CA GLY A 50 -5.064 10.096 2.439 1.00 0.00 C ATOM 767 C GLY A 50 -6.292 9.849 3.259 1.00 0.00 C ATOM 768 O GLY A 50 -7.420 10.116 2.843 1.00 0.00 O ATOM 0 H GLY A 50 -3.347 9.134 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.097 11.088 1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.999 9.378 1.622 1.00 0.00 H new ATOM 772 N GLY A 51 -6.056 9.277 4.417 1.00 0.00 N ATOM 773 CA GLY A 51 -7.070 9.143 5.394 1.00 0.00 C ATOM 774 C GLY A 51 -7.169 7.763 5.898 1.00 0.00 C ATOM 775 O GLY A 51 -8.155 7.415 6.532 1.00 0.00 O ATOM 0 H GLY A 51 -5.150 8.897 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.865 9.819 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.027 9.443 4.967 1.00 0.00 H new ATOM 779 N HIS A 52 -6.164 6.939 5.639 1.00 0.00 N ATOM 780 CA HIS A 52 -6.277 5.577 6.016 1.00 0.00 C ATOM 781 C HIS A 52 -4.947 5.048 6.255 1.00 0.00 C ATOM 782 O HIS A 52 -3.984 5.478 5.622 1.00 0.00 O ATOM 783 CB HIS A 52 -7.001 4.701 4.958 1.00 0.00 C ATOM 784 CG HIS A 52 -8.507 4.785 4.932 1.00 0.00 C ATOM 785 ND1 HIS A 52 -9.216 5.293 3.872 1.00 0.00 N ATOM 786 CD2 HIS A 52 -9.432 4.339 5.813 1.00 0.00 C ATOM 787 CE1 HIS A 52 -10.502 5.148 4.098 1.00 0.00 C ATOM 788 NE2 HIS A 52 -10.660 4.572 5.267 1.00 0.00 N ATOM 0 H HIS A 52 -5.291 7.200 5.180 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.888 5.540 6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.627 4.977 3.972 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.720 3.661 5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.234 3.883 6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -11.297 5.452 3.433 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.555 4.337 5.697 1.00 0.00 H new ATOM 797 N ASN A 53 -4.862 4.166 7.150 1.00 0.00 N ATOM 798 CA ASN A 53 -3.663 3.456 7.331 1.00 0.00 C ATOM 799 C ASN A 53 -3.792 2.270 6.422 1.00 0.00 C ATOM 800 O ASN A 53 -4.492 1.315 6.754 1.00 0.00 O ATOM 801 CB ASN A 53 -3.486 3.014 8.804 1.00 0.00 C ATOM 802 CG ASN A 53 -2.209 2.144 9.137 1.00 0.00 C ATOM 803 OD1 ASN A 53 -1.727 2.204 10.268 1.00 0.00 O ATOM 804 ND2 ASN A 53 -1.661 1.324 8.206 1.00 0.00 N ATOM 0 H ASN A 53 -5.618 3.908 7.784 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.787 4.062 7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.460 3.908 9.427 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.370 2.447 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.848 0.755 8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.062 1.276 7.269 1.00 0.00 H new ATOM 811 N ILE A 54 -3.218 2.372 5.254 1.00 0.00 N ATOM 812 CA ILE A 54 -3.319 1.316 4.288 1.00 0.00 C ATOM 813 C ILE A 54 -2.780 0.006 4.754 1.00 0.00 C ATOM 814 O ILE A 54 -1.635 -0.126 5.232 1.00 0.00 O ATOM 815 CB ILE A 54 -2.854 1.666 2.833 1.00 0.00 C ATOM 816 CG1 ILE A 54 -3.955 2.517 2.124 1.00 0.00 C ATOM 817 CG2 ILE A 54 -2.621 0.359 2.047 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.365 3.777 2.821 1.00 0.00 C ATOM 0 H ILE A 54 -2.674 3.179 4.949 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.399 1.196 4.203 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.927 2.239 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.599 2.777 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.840 1.894 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.297 0.597 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.852 -0.232 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.549 -0.212 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.133 4.283 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.760 3.535 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.500 4.432 2.927 1.00 0.00 H new ATOM 830 N LYS A 55 -3.642 -0.919 4.666 1.00 0.00 N ATOM 831 CA LYS A 55 -3.412 -2.251 4.884 1.00 0.00 C ATOM 832 C LYS A 55 -3.951 -2.830 3.625 1.00 0.00 C ATOM 833 O LYS A 55 -4.886 -2.251 3.041 1.00 0.00 O ATOM 834 CB LYS A 55 -4.176 -2.715 6.144 1.00 0.00 C ATOM 835 CG LYS A 55 -5.600 -2.215 6.194 1.00 0.00 C ATOM 836 CD LYS A 55 -6.363 -2.664 7.415 1.00 0.00 C ATOM 837 CE LYS A 55 -7.701 -1.927 7.490 1.00 0.00 C ATOM 838 NZ LYS A 55 -8.399 -1.896 6.180 1.00 0.00 N ATOM 0 H LYS A 55 -4.612 -0.728 4.415 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.378 -2.537 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.179 -3.804 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.645 -2.369 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.593 -1.125 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.126 -2.557 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.532 -3.740 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.778 -2.467 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.340 -2.411 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.533 -0.907 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.383 -1.589 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.915 -1.230 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.389 -2.847 5.759 1.00 0.00 H new ATOM 852 N ILE A 56 -3.375 -3.829 3.126 1.00 0.00 N ATOM 853 CA ILE A 56 -3.833 -4.326 1.908 1.00 0.00 C ATOM 854 C ILE A 56 -4.452 -5.633 2.108 1.00 0.00 C ATOM 855 O ILE A 56 -4.089 -6.363 3.022 1.00 0.00 O ATOM 856 CB ILE A 56 -2.747 -4.392 0.855 1.00 0.00 C ATOM 857 CG1 ILE A 56 -1.556 -5.208 1.326 1.00 0.00 C ATOM 858 CG2 ILE A 56 -2.353 -2.994 0.410 1.00 0.00 C ATOM 859 CD1 ILE A 56 -0.376 -5.128 0.410 1.00 0.00 C ATOM 0 H ILE A 56 -2.584 -4.323 3.538 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.579 -3.628 1.529 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.146 -4.913 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.260 -4.865 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.857 -6.251 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.571 -3.060 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.222 -2.487 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.982 -2.431 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.437 -5.735 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.655 -5.499 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.048 -4.092 0.328 1.00 0.00 H new ATOM 871 N ILE A 57 -5.396 -5.923 1.294 1.00 0.00 N ATOM 872 CA ILE A 57 -6.102 -7.137 1.409 1.00 0.00 C ATOM 873 C ILE A 57 -5.282 -8.210 0.757 1.00 0.00 C ATOM 874 O ILE A 57 -5.117 -9.311 1.256 1.00 0.00 O ATOM 875 CB ILE A 57 -7.547 -7.026 0.831 1.00 0.00 C ATOM 876 CG1 ILE A 57 -8.354 -8.212 1.206 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.593 -6.784 -0.669 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.798 -8.173 0.746 1.00 0.00 C ATOM 0 H ILE A 57 -5.700 -5.322 0.528 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.246 -7.394 2.458 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.986 -6.137 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.880 -9.102 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.336 -8.317 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.631 -6.719 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.080 -5.851 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.101 -7.608 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.307 -9.082 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.295 -7.306 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.832 -8.103 -0.341 1.00 0.00 H new ATOM 890 N ARG A 58 -4.743 -7.839 -0.334 1.00 0.00 N ATOM 891 CA ARG A 58 -3.837 -8.618 -1.030 1.00 0.00 C ATOM 892 C ARG A 58 -2.608 -7.887 -1.346 1.00 0.00 C ATOM 893 O ARG A 58 -2.620 -6.721 -1.737 1.00 0.00 O ATOM 894 CB ARG A 58 -4.404 -9.470 -2.156 1.00 0.00 C ATOM 895 CG ARG A 58 -5.176 -10.695 -1.694 1.00 0.00 C ATOM 896 CD ARG A 58 -4.309 -11.608 -0.831 1.00 0.00 C ATOM 897 NE ARG A 58 -3.172 -12.184 -1.552 1.00 0.00 N ATOM 898 CZ ARG A 58 -2.318 -13.078 -1.023 1.00 0.00 C ATOM 899 NH1 ARG A 58 -2.542 -13.587 0.187 1.00 0.00 N ATOM 900 NH2 ARG A 58 -1.254 -13.469 -1.713 1.00 0.00 N ATOM 0 H ARG A 58 -4.938 -6.941 -0.777 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.544 -9.398 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.061 -8.851 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.584 -9.794 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.053 -10.382 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.537 -11.247 -2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.938 -11.043 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.926 -12.415 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.018 -11.889 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.364 -13.299 0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.891 -14.265 0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.084 -13.091 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.607 -14.147 -1.311 1.00 0.00 H new ATOM 914 N ASN A 59 -1.560 -8.585 -1.136 1.00 0.00 N ATOM 915 CA ASN A 59 -0.227 -8.088 -1.201 1.00 0.00 C ATOM 916 C ASN A 59 0.286 -7.982 -2.613 1.00 0.00 C ATOM 917 O ASN A 59 1.376 -7.447 -2.848 1.00 0.00 O ATOM 918 CB ASN A 59 0.658 -9.020 -0.424 1.00 0.00 C ATOM 919 CG ASN A 59 0.376 -9.052 1.071 1.00 0.00 C ATOM 920 OD1 ASN A 59 -0.059 -8.077 1.656 1.00 0.00 O ATOM 921 ND2 ASN A 59 0.633 -10.177 1.694 1.00 0.00 N ATOM 0 H ASN A 59 -1.603 -9.576 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.220 -7.082 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.545 -10.027 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.697 -8.730 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.469 -10.253 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.997 -10.976 1.175 1.00 0.00 H new ATOM 928 N GLY A 60 -0.477 -8.465 -3.537 1.00 0.00 N ATOM 929 CA GLY A 60 -0.067 -8.475 -4.894 1.00 0.00 C ATOM 930 C GLY A 60 -1.252 -8.655 -5.786 1.00 0.00 C ATOM 931 O GLY A 60 -2.358 -8.264 -5.404 1.00 0.00 O ATOM 0 H GLY A 60 -1.401 -8.863 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.441 -7.542 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.649 -9.280 -5.060 1.00 0.00 H new ATOM 935 N PRO A 61 -1.070 -9.250 -6.961 1.00 0.00 N ATOM 936 CA PRO A 61 -2.145 -9.448 -7.936 1.00 0.00 C ATOM 937 C PRO A 61 -3.319 -10.250 -7.373 1.00 0.00 C ATOM 938 O PRO A 61 -3.135 -11.371 -6.870 1.00 0.00 O ATOM 939 CB PRO A 61 -1.460 -10.239 -9.058 1.00 0.00 C ATOM 940 CG PRO A 61 -0.021 -9.907 -8.922 1.00 0.00 C ATOM 941 CD PRO A 61 0.216 -9.784 -7.452 1.00 0.00 C ATOM 0 HA PRO A 61 -2.578 -8.499 -8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.632 -11.310 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.843 -9.951 -10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.605 -10.685 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.219 -8.978 -9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.455 -10.746 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.045 -9.112 -7.230 1.00 0.00 H new ATOM 949 N CYS A 62 -4.490 -9.652 -7.397 1.00 0.00 N ATOM 950 CA CYS A 62 -5.717 -10.323 -7.025 1.00 0.00 C ATOM 951 C CYS A 62 -6.309 -10.990 -8.254 1.00 0.00 C ATOM 952 O CYS A 62 -6.135 -12.215 -8.417 1.00 0.00 O ATOM 953 CB CYS A 62 -6.737 -9.347 -6.395 1.00 0.00 C ATOM 954 SG CYS A 62 -6.365 -8.839 -4.684 1.00 0.00 S ATOM 955 OXT CYS A 62 -6.930 -10.295 -9.081 1.00 0.00 O ATOM 0 H CYS A 62 -4.619 -8.680 -7.677 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.486 -11.074 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.795 -8.455 -7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.722 -9.813 -6.413 1.00 0.00 H new