USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 78 TYR OH : rot 180:sc= -0.394 USER MOD Set 1.2: A 82 CYS SG : rot 144:sc= 0.0767 USER MOD Set 2.1: A 43 HIS : no HE2:sc= 0.7 K(o=2.3,f=-5!) USER MOD Set 2.2: A 46 GLN : amide:sc= 1.63 K(o=2.3,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 145:sc= 0 (180deg=-0.786) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 151:sc= 0.48 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 0.403 (180deg=0.154) USER MOD Single : A 25 GLN : amide:sc= 0.572 K(o=0.57,f=-0.18) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.459) USER MOD Single : A 54 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.3) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -120:sc= 1.21 (180deg=0.0672) USER MOD Single : A 70 SER OG : rot -120:sc= 0.393 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 68:sc= 0.812 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -8.780 -0.672 -5.028 1.00 0.00 N ATOM 183 CA LYS A 16 -9.002 -0.242 -6.407 1.00 0.00 C ATOM 184 C LYS A 16 -7.965 -0.841 -7.361 1.00 0.00 C ATOM 185 O LYS A 16 -6.862 -1.175 -6.933 1.00 0.00 O ATOM 186 CB LYS A 16 -8.852 1.282 -6.470 1.00 0.00 C ATOM 187 CG LYS A 16 -9.984 2.084 -5.825 1.00 0.00 C ATOM 188 CD LYS A 16 -11.173 2.235 -6.773 1.00 0.00 C ATOM 189 CE LYS A 16 -12.159 3.244 -6.185 1.00 0.00 C ATOM 190 NZ LYS A 16 -13.271 3.524 -7.108 1.00 0.00 N ATOM 0 HA LYS A 16 -9.996 -0.573 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.915 1.557 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.771 1.578 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.307 1.588 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.617 3.070 -5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.832 2.570 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.663 1.272 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.555 2.860 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.635 4.172 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.918 4.213 -6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.895 3.914 -7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.786 2.643 -7.308 1.00 0.00 H new ATOM 204 N PRO A 17 -8.297 -0.984 -8.654 1.00 0.00 N ATOM 205 CA PRO A 17 -7.369 -1.520 -9.640 1.00 0.00 C ATOM 206 C PRO A 17 -6.259 -0.488 -9.788 1.00 0.00 C ATOM 207 O PRO A 17 -6.548 0.685 -10.024 1.00 0.00 O ATOM 208 CB PRO A 17 -8.179 -1.696 -10.924 1.00 0.00 C ATOM 209 CG PRO A 17 -9.320 -0.689 -10.776 1.00 0.00 C ATOM 210 CD PRO A 17 -9.561 -0.614 -9.272 1.00 0.00 C ATOM 0 HA PRO A 17 -6.919 -2.476 -9.373 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.576 -1.490 -11.809 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.555 -2.714 -11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.048 0.284 -11.185 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.213 -1.019 -11.306 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.864 0.389 -8.973 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.359 -1.292 -8.969 1.00 0.00 H new ATOM 218 N MET A 18 -5.013 -0.892 -9.589 1.00 0.00 N ATOM 219 CA MET A 18 -3.877 0.012 -9.669 1.00 0.00 C ATOM 220 C MET A 18 -3.410 0.119 -11.116 1.00 0.00 C ATOM 221 O MET A 18 -3.075 -0.896 -11.738 1.00 0.00 O ATOM 222 CB MET A 18 -2.785 -0.435 -8.696 1.00 0.00 C ATOM 223 CG MET A 18 -3.335 -0.557 -7.268 1.00 0.00 C ATOM 224 SD MET A 18 -3.946 0.974 -6.510 1.00 0.00 S ATOM 225 CE MET A 18 -2.398 1.656 -5.855 1.00 0.00 C ATOM 0 H MET A 18 -4.762 -1.856 -9.368 1.00 0.00 H new ATOM 0 HA MET A 18 -4.162 1.018 -9.361 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.379 -1.395 -9.016 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.963 0.281 -8.713 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.148 -1.284 -7.275 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.549 -0.964 -6.632 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.419 2.743 -5.929 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.286 1.366 -4.810 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.557 1.269 -6.431 1.00 0.00 H new ATOM 235 N SER A 19 -3.443 1.324 -11.684 1.00 0.00 N ATOM 236 CA SER A 19 -3.020 1.537 -13.062 1.00 0.00 C ATOM 237 C SER A 19 -1.511 1.339 -13.166 1.00 0.00 C ATOM 238 O SER A 19 -0.801 1.436 -12.163 1.00 0.00 O ATOM 239 CB SER A 19 -3.362 2.954 -13.532 1.00 0.00 C ATOM 240 OG SER A 19 -4.675 3.322 -13.174 1.00 0.00 O ATOM 0 H SER A 19 -3.760 2.168 -11.207 1.00 0.00 H new ATOM 0 HA SER A 19 -3.545 0.820 -13.692 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.655 3.661 -13.098 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.250 3.015 -14.615 1.00 0.00 H new ATOM 0 HG SER A 19 -4.857 4.232 -13.489 1.00 0.00 H new ATOM 246 N TYR A 20 -0.996 1.112 -14.375 1.00 0.00 N ATOM 247 CA TYR A 20 0.436 0.936 -14.581 1.00 0.00 C ATOM 248 C TYR A 20 1.165 2.211 -14.136 1.00 0.00 C ATOM 249 O TYR A 20 2.253 2.150 -13.563 1.00 0.00 O ATOM 250 CB TYR A 20 0.705 0.622 -16.056 1.00 0.00 C ATOM 251 CG TYR A 20 2.178 0.569 -16.391 1.00 0.00 C ATOM 252 CD1 TYR A 20 2.919 -0.588 -16.097 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.818 1.695 -16.943 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.299 -0.622 -16.352 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.195 1.662 -17.211 1.00 0.00 C ATOM 256 CZ TYR A 20 4.938 0.495 -16.934 1.00 0.00 C ATOM 257 OH TYR A 20 6.266 0.461 -17.220 1.00 0.00 O ATOM 0 H TYR A 20 -1.554 1.046 -15.226 1.00 0.00 H new ATOM 0 HA TYR A 20 0.807 0.101 -13.987 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.247 -0.334 -16.307 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.224 1.379 -16.676 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.427 -1.452 -15.675 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.248 2.586 -17.161 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.872 -1.503 -16.103 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.685 2.529 -17.629 1.00 0.00 H new ATOM 0 HH TYR A 20 6.450 1.041 -17.988 1.00 0.00 H new ATOM 267 N GLU A 21 0.538 3.369 -14.346 1.00 0.00 N ATOM 268 CA GLU A 21 1.103 4.659 -13.981 1.00 0.00 C ATOM 269 C GLU A 21 0.945 4.921 -12.483 1.00 0.00 C ATOM 270 O GLU A 21 1.840 5.512 -11.886 1.00 0.00 O ATOM 271 CB GLU A 21 0.492 5.736 -14.879 1.00 0.00 C ATOM 272 CG GLU A 21 1.176 5.612 -16.249 1.00 0.00 C ATOM 273 CD GLU A 21 0.555 6.519 -17.299 1.00 0.00 C ATOM 274 OE1 GLU A 21 0.813 7.744 -17.244 1.00 0.00 O ATOM 275 OE2 GLU A 21 -0.111 6.002 -18.230 1.00 0.00 O ATOM 0 H GLU A 21 -0.384 3.433 -14.778 1.00 0.00 H new ATOM 0 HA GLU A 21 2.179 4.673 -14.152 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.585 5.597 -14.971 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.651 6.728 -14.456 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.234 5.854 -16.146 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.117 4.578 -16.588 1.00 0.00 H new ATOM 282 N GLU A 22 -0.144 4.455 -11.858 1.00 0.00 N ATOM 283 CA GLU A 22 -0.361 4.620 -10.416 1.00 0.00 C ATOM 284 C GLU A 22 0.774 3.850 -9.730 1.00 0.00 C ATOM 285 O GLU A 22 1.452 4.354 -8.832 1.00 0.00 O ATOM 286 CB GLU A 22 -1.743 4.069 -10.002 1.00 0.00 C ATOM 287 CG GLU A 22 -2.910 4.948 -10.486 1.00 0.00 C ATOM 288 CD GLU A 22 -4.310 4.360 -10.235 1.00 0.00 C ATOM 289 OE1 GLU A 22 -4.425 3.236 -9.710 1.00 0.00 O ATOM 290 OE2 GLU A 22 -5.334 4.962 -10.644 1.00 0.00 O ATOM 0 H GLU A 22 -0.895 3.956 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.354 5.671 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.862 3.063 -10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.784 3.985 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.845 5.918 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.793 5.126 -11.555 1.00 0.00 H new ATOM 297 N LYS A 23 1.023 2.626 -10.209 1.00 0.00 N ATOM 298 CA LYS A 23 2.077 1.749 -9.718 1.00 0.00 C ATOM 299 C LYS A 23 3.435 2.435 -9.865 1.00 0.00 C ATOM 300 O LYS A 23 4.271 2.347 -8.964 1.00 0.00 O ATOM 301 CB LYS A 23 2.060 0.453 -10.532 1.00 0.00 C ATOM 302 CG LYS A 23 0.875 -0.435 -10.169 1.00 0.00 C ATOM 303 CD LYS A 23 0.635 -1.474 -11.256 1.00 0.00 C ATOM 304 CE LYS A 23 -0.425 -2.456 -10.766 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.568 -3.623 -11.656 1.00 0.00 N ATOM 0 H LYS A 23 0.480 2.213 -10.968 1.00 0.00 H new ATOM 0 HA LYS A 23 1.909 1.526 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.021 0.693 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.988 -0.094 -10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.064 -0.932 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.018 0.176 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.306 -0.990 -12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.561 -2.001 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.164 -2.797 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.383 -1.942 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.522 -4.023 -11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.421 -3.328 -12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.138 -4.342 -11.401 1.00 0.00 H new ATOM 319 N ARG A 24 3.683 3.091 -11.004 1.00 0.00 N ATOM 320 CA ARG A 24 4.945 3.780 -11.222 1.00 0.00 C ATOM 321 C ARG A 24 5.093 4.939 -10.255 1.00 0.00 C ATOM 322 O ARG A 24 6.175 5.068 -9.691 1.00 0.00 O ATOM 323 CB ARG A 24 5.100 4.261 -12.669 1.00 0.00 C ATOM 324 CG ARG A 24 5.637 3.130 -13.550 1.00 0.00 C ATOM 325 CD ARG A 24 6.243 3.682 -14.840 1.00 0.00 C ATOM 326 NE ARG A 24 7.065 2.673 -15.518 1.00 0.00 N ATOM 327 CZ ARG A 24 8.269 2.234 -15.133 1.00 0.00 C ATOM 328 NH1 ARG A 24 8.902 2.760 -14.090 1.00 0.00 N ATOM 329 NH2 ARG A 24 8.844 1.243 -15.798 1.00 0.00 N ATOM 0 H ARG A 24 3.026 3.155 -11.781 1.00 0.00 H new ATOM 0 HA ARG A 24 5.742 3.060 -11.035 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.138 4.603 -13.051 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.779 5.113 -12.705 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.391 2.564 -13.003 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.831 2.437 -13.790 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.446 4.012 -15.506 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.852 4.557 -14.613 1.00 0.00 H new ATOM 0 HE ARG A 24 6.679 2.265 -16.369 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.471 3.518 -13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.819 2.406 -13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.369 0.821 -16.596 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.762 0.902 -15.512 1.00 0.00 H new ATOM 343 N GLN A 25 4.066 5.767 -10.063 1.00 0.00 N ATOM 344 CA GLN A 25 4.131 6.900 -9.150 1.00 0.00 C ATOM 345 C GLN A 25 4.472 6.423 -7.739 1.00 0.00 C ATOM 346 O GLN A 25 5.363 6.986 -7.110 1.00 0.00 O ATOM 347 CB GLN A 25 2.806 7.676 -9.203 1.00 0.00 C ATOM 348 CG GLN A 25 2.857 8.948 -8.349 1.00 0.00 C ATOM 349 CD GLN A 25 3.987 9.872 -8.801 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.967 10.407 -9.916 1.00 0.00 O ATOM 351 NE2 GLN A 25 5.022 10.033 -7.995 1.00 0.00 N ATOM 0 H GLN A 25 3.168 5.668 -10.537 1.00 0.00 H new ATOM 0 HA GLN A 25 4.926 7.580 -9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.581 7.941 -10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.996 7.036 -8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.905 9.474 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.999 8.681 -7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.028 9.587 -7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.815 10.603 -8.290 1.00 0.00 H new ATOM 360 N LEU A 26 3.828 5.351 -7.274 1.00 0.00 N ATOM 361 CA LEU A 26 4.074 4.784 -5.952 1.00 0.00 C ATOM 362 C LEU A 26 5.564 4.459 -5.785 1.00 0.00 C ATOM 363 O LEU A 26 6.143 4.682 -4.726 1.00 0.00 O ATOM 364 CB LEU A 26 3.185 3.542 -5.805 1.00 0.00 C ATOM 365 CG LEU A 26 3.372 2.712 -4.526 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.354 3.559 -3.256 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.245 1.680 -4.469 1.00 0.00 C ATOM 0 H LEU A 26 3.118 4.851 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 26 3.823 5.495 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.144 3.860 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.362 2.892 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 26 4.353 2.238 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.491 2.915 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.160 4.291 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.398 4.076 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.352 1.074 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.283 2.192 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.296 1.037 -5.348 1.00 0.00 H new ATOM 379 N SER A 27 6.203 3.952 -6.840 1.00 0.00 N ATOM 380 CA SER A 27 7.617 3.608 -6.838 1.00 0.00 C ATOM 381 C SER A 27 8.473 4.854 -6.573 1.00 0.00 C ATOM 382 O SER A 27 9.447 4.773 -5.822 1.00 0.00 O ATOM 383 CB SER A 27 7.957 2.980 -8.190 1.00 0.00 C ATOM 384 OG SER A 27 9.196 2.304 -8.224 1.00 0.00 O ATOM 0 H SER A 27 5.742 3.768 -7.731 1.00 0.00 H new ATOM 0 HA SER A 27 7.831 2.896 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.167 2.279 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.963 3.762 -8.949 1.00 0.00 H new ATOM 0 HG SER A 27 9.340 1.930 -9.118 1.00 0.00 H new ATOM 390 N LEU A 28 8.153 6.003 -7.185 1.00 0.00 N ATOM 391 CA LEU A 28 8.904 7.233 -6.985 1.00 0.00 C ATOM 392 C LEU A 28 8.835 7.634 -5.528 1.00 0.00 C ATOM 393 O LEU A 28 9.877 7.870 -4.925 1.00 0.00 O ATOM 394 CB LEU A 28 8.321 8.381 -7.827 1.00 0.00 C ATOM 395 CG LEU A 28 8.797 8.450 -9.274 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.300 8.728 -9.391 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.400 7.220 -10.071 1.00 0.00 C ATOM 0 H LEU A 28 7.368 6.097 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 28 9.935 7.051 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.235 8.292 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.564 9.325 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 28 8.282 9.304 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.582 8.766 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.531 9.683 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.857 7.933 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.762 7.317 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.839 6.333 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.314 7.126 -10.078 1.00 0.00 H new ATOM 409 N ASP A 29 7.624 7.691 -4.981 1.00 0.00 N ATOM 410 CA ASP A 29 7.369 8.083 -3.600 1.00 0.00 C ATOM 411 C ASP A 29 8.050 7.144 -2.609 1.00 0.00 C ATOM 412 O ASP A 29 8.564 7.596 -1.578 1.00 0.00 O ATOM 413 CB ASP A 29 5.870 8.335 -3.413 1.00 0.00 C ATOM 414 CG ASP A 29 5.565 9.673 -4.104 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.173 10.686 -3.693 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.897 9.710 -5.163 1.00 0.00 O ATOM 0 H ASP A 29 6.775 7.461 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 29 7.843 9.037 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.283 7.528 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.612 8.377 -2.355 1.00 0.00 H new ATOM 421 N ILE A 30 8.141 5.856 -2.952 1.00 0.00 N ATOM 422 CA ILE A 30 8.808 4.831 -2.157 1.00 0.00 C ATOM 423 C ILE A 30 10.315 5.149 -2.155 1.00 0.00 C ATOM 424 O ILE A 30 10.994 4.920 -1.151 1.00 0.00 O ATOM 425 CB ILE A 30 8.460 3.432 -2.745 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.134 2.926 -2.135 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.570 2.385 -2.580 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.591 1.641 -2.774 1.00 0.00 C ATOM 0 H ILE A 30 7.740 5.491 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 30 8.473 4.819 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 30 8.352 3.568 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.282 2.753 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.382 3.710 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.246 1.440 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.472 2.728 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.781 2.242 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.659 1.358 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.408 1.812 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.321 0.840 -2.656 1.00 0.00 H new ATOM 440 N ASN A 31 10.860 5.675 -3.258 1.00 0.00 N ATOM 441 CA ASN A 31 12.277 6.016 -3.364 1.00 0.00 C ATOM 442 C ASN A 31 12.625 7.313 -2.622 1.00 0.00 C ATOM 443 O ASN A 31 13.814 7.572 -2.418 1.00 0.00 O ATOM 444 CB ASN A 31 12.758 6.037 -4.828 1.00 0.00 C ATOM 445 CG ASN A 31 13.101 4.641 -5.346 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.249 4.207 -5.301 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.123 3.894 -5.828 1.00 0.00 N ATOM 0 H ASN A 31 10.326 5.876 -4.103 1.00 0.00 H new ATOM 0 HA ASN A 31 12.826 5.219 -2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.983 6.475 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.635 6.678 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.320 2.952 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.172 4.260 -5.863 1.00 0.00 H new ATOM 454 N LYS A 32 11.649 8.127 -2.192 1.00 0.00 N ATOM 455 CA LYS A 32 11.925 9.372 -1.458 1.00 0.00 C ATOM 456 C LYS A 32 12.025 9.131 0.054 1.00 0.00 C ATOM 457 O LYS A 32 12.284 10.086 0.790 1.00 0.00 O ATOM 458 CB LYS A 32 10.843 10.448 -1.700 1.00 0.00 C ATOM 459 CG LYS A 32 10.289 10.611 -3.111 1.00 0.00 C ATOM 460 CD LYS A 32 11.317 10.951 -4.186 1.00 0.00 C ATOM 461 CE LYS A 32 10.558 11.040 -5.515 1.00 0.00 C ATOM 462 NZ LYS A 32 11.317 11.773 -6.540 1.00 0.00 N ATOM 0 H LYS A 32 10.657 7.944 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 32 12.881 9.728 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.005 10.232 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.255 11.409 -1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.786 9.686 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.532 11.395 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.814 11.895 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.092 10.187 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.341 10.035 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.600 11.534 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.766 11.808 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.502 12.741 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.220 11.288 -6.716 1.00 0.00 H new ATOM 476 N LEU A 33 11.736 7.926 0.548 1.00 0.00 N ATOM 477 CA LEU A 33 11.781 7.606 1.972 1.00 0.00 C ATOM 478 C LEU A 33 13.219 7.413 2.453 1.00 0.00 C ATOM 479 O LEU A 33 14.083 7.066 1.646 1.00 0.00 O ATOM 480 CB LEU A 33 10.990 6.306 2.201 1.00 0.00 C ATOM 481 CG LEU A 33 9.481 6.520 1.992 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.764 5.212 1.662 1.00 0.00 C ATOM 483 CD2 LEU A 33 8.845 7.213 3.209 1.00 0.00 C ATOM 0 H LEU A 33 11.461 7.137 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 33 11.346 8.432 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.347 5.536 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.170 5.943 3.213 1.00 0.00 H new ATOM 0 HG LEU A 33 9.362 7.179 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.701 5.405 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.180 4.790 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.899 4.506 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.778 7.351 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.989 6.596 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.316 8.184 3.362 1.00 0.00 H new ATOM 495 N PRO A 34 13.497 7.613 3.755 1.00 0.00 N ATOM 496 CA PRO A 34 14.832 7.413 4.298 1.00 0.00 C ATOM 497 C PRO A 34 15.080 5.901 4.373 1.00 0.00 C ATOM 498 O PRO A 34 14.139 5.139 4.624 1.00 0.00 O ATOM 499 CB PRO A 34 14.809 8.065 5.681 1.00 0.00 C ATOM 500 CG PRO A 34 13.356 7.923 6.117 1.00 0.00 C ATOM 501 CD PRO A 34 12.575 8.028 4.806 1.00 0.00 C ATOM 0 HA PRO A 34 15.630 7.850 3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.486 7.564 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.115 9.110 5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.178 6.970 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.069 8.707 6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.692 7.389 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.227 9.047 4.640 1.00 0.00 H new ATOM 509 N GLY A 35 16.342 5.483 4.244 1.00 0.00 N ATOM 510 CA GLY A 35 16.738 4.079 4.272 1.00 0.00 C ATOM 511 C GLY A 35 16.189 3.331 5.475 1.00 0.00 C ATOM 512 O GLY A 35 15.638 2.244 5.324 1.00 0.00 O ATOM 0 H GLY A 35 17.126 6.122 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.393 3.592 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.826 4.014 4.276 1.00 0.00 H new ATOM 516 N GLU A 36 16.251 3.926 6.665 1.00 0.00 N ATOM 517 CA GLU A 36 15.749 3.299 7.880 1.00 0.00 C ATOM 518 C GLU A 36 14.279 2.906 7.745 1.00 0.00 C ATOM 519 O GLU A 36 13.898 1.766 7.998 1.00 0.00 O ATOM 520 CB GLU A 36 15.931 4.276 9.053 1.00 0.00 C ATOM 521 CG GLU A 36 15.327 3.792 10.379 1.00 0.00 C ATOM 522 CD GLU A 36 15.848 2.407 10.765 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.084 2.255 10.908 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.027 1.468 10.882 1.00 0.00 O ATOM 0 H GLU A 36 16.650 4.853 6.811 1.00 0.00 H new ATOM 0 HA GLU A 36 16.314 2.384 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.996 4.457 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.478 5.231 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.566 4.504 11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.241 3.762 10.295 1.00 0.00 H new ATOM 531 N LYS A 37 13.427 3.850 7.345 1.00 0.00 N ATOM 532 CA LYS A 37 12.010 3.555 7.238 1.00 0.00 C ATOM 533 C LYS A 37 11.708 2.699 6.014 1.00 0.00 C ATOM 534 O LYS A 37 10.611 2.137 5.946 1.00 0.00 O ATOM 535 CB LYS A 37 11.199 4.859 7.268 1.00 0.00 C ATOM 536 CG LYS A 37 11.450 5.711 8.526 1.00 0.00 C ATOM 537 CD LYS A 37 10.752 7.075 8.455 1.00 0.00 C ATOM 538 CE LYS A 37 9.232 7.057 8.680 1.00 0.00 C ATOM 539 NZ LYS A 37 8.869 6.904 10.104 1.00 0.00 N ATOM 0 H LYS A 37 13.691 4.803 7.096 1.00 0.00 H new ATOM 0 HA LYS A 37 11.707 2.960 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.443 5.449 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.138 4.619 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.097 5.170 9.404 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.522 5.860 8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.203 7.733 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.951 7.514 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.801 7.982 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.794 6.240 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.833 6.898 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.255 6.009 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.262 7.697 10.650 1.00 0.00 H new ATOM 553 N LEU A 38 12.597 2.601 5.021 1.00 0.00 N ATOM 554 CA LEU A 38 12.352 1.799 3.825 1.00 0.00 C ATOM 555 C LEU A 38 12.070 0.350 4.203 1.00 0.00 C ATOM 556 O LEU A 38 11.122 -0.221 3.670 1.00 0.00 O ATOM 557 CB LEU A 38 13.518 1.912 2.842 1.00 0.00 C ATOM 558 CG LEU A 38 13.313 1.174 1.507 1.00 0.00 C ATOM 559 CD1 LEU A 38 12.085 1.681 0.738 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.568 1.372 0.656 1.00 0.00 C ATOM 0 H LEU A 38 13.501 3.074 5.026 1.00 0.00 H new ATOM 0 HA LEU A 38 11.467 2.188 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.698 2.967 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.417 1.524 3.321 1.00 0.00 H new ATOM 0 HG LEU A 38 13.140 0.119 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.986 1.127 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.190 1.534 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.205 2.742 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.446 0.857 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.722 2.436 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.432 0.964 1.181 1.00 0.00 H new ATOM 572 N GLY A 39 12.770 -0.222 5.187 1.00 0.00 N ATOM 573 CA GLY A 39 12.520 -1.604 5.590 1.00 0.00 C ATOM 574 C GLY A 39 11.141 -1.804 6.216 1.00 0.00 C ATOM 575 O GLY A 39 10.793 -2.925 6.575 1.00 0.00 O ATOM 0 H GLY A 39 13.507 0.247 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.615 -2.253 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.285 -1.913 6.303 1.00 0.00 H new ATOM 579 N ARG A 40 10.355 -0.744 6.440 1.00 0.00 N ATOM 580 CA ARG A 40 9.005 -0.874 6.975 1.00 0.00 C ATOM 581 C ARG A 40 8.046 -1.089 5.804 1.00 0.00 C ATOM 582 O ARG A 40 6.987 -1.672 5.995 1.00 0.00 O ATOM 583 CB ARG A 40 8.626 0.369 7.796 1.00 0.00 C ATOM 584 CG ARG A 40 7.401 0.151 8.697 1.00 0.00 C ATOM 585 CD ARG A 40 7.662 -0.901 9.781 1.00 0.00 C ATOM 586 NE ARG A 40 6.647 -0.869 10.841 1.00 0.00 N ATOM 587 CZ ARG A 40 6.852 -1.194 12.123 1.00 0.00 C ATOM 588 NH1 ARG A 40 8.038 -1.617 12.544 1.00 0.00 N ATOM 589 NH2 ARG A 40 5.855 -1.081 12.982 1.00 0.00 N ATOM 0 H ARG A 40 10.639 0.218 6.256 1.00 0.00 H new ATOM 0 HA ARG A 40 8.946 -1.728 7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.475 0.661 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.426 1.198 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.125 1.095 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.553 -0.161 8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.679 -1.892 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.646 -0.733 10.218 1.00 0.00 H new ATOM 0 HE ARG A 40 5.706 -0.574 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.813 -1.699 11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.174 -1.860 13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.944 -0.750 12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.996 -1.325 13.962 1.00 0.00 H new ATOM 603 N VAL A 41 8.405 -0.638 4.599 1.00 0.00 N ATOM 604 CA VAL A 41 7.611 -0.767 3.388 1.00 0.00 C ATOM 605 C VAL A 41 7.398 -2.249 3.086 1.00 0.00 C ATOM 606 O VAL A 41 6.251 -2.676 3.001 1.00 0.00 O ATOM 607 CB VAL A 41 8.302 -0.013 2.229 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.579 -0.176 0.889 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.395 1.492 2.534 1.00 0.00 C ATOM 0 H VAL A 41 9.290 -0.156 4.441 1.00 0.00 H new ATOM 0 HA VAL A 41 6.628 -0.314 3.520 1.00 0.00 H new ATOM 0 HB VAL A 41 9.294 -0.457 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.114 0.377 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.544 -1.232 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.563 0.211 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.885 2.002 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.393 1.899 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.974 1.643 3.445 1.00 0.00 H new ATOM 619 N VAL A 42 8.474 -3.041 2.999 1.00 0.00 N ATOM 620 CA VAL A 42 8.424 -4.475 2.694 1.00 0.00 C ATOM 621 C VAL A 42 7.459 -5.230 3.619 1.00 0.00 C ATOM 622 O VAL A 42 6.771 -6.158 3.190 1.00 0.00 O ATOM 623 CB VAL A 42 9.869 -5.035 2.705 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.495 -5.035 4.098 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.966 -6.446 2.105 1.00 0.00 C ATOM 0 H VAL A 42 9.423 -2.695 3.142 1.00 0.00 H new ATOM 0 HA VAL A 42 8.012 -4.627 1.696 1.00 0.00 H new ATOM 0 HB VAL A 42 10.434 -4.350 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.506 -5.438 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.531 -4.015 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.895 -5.652 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.001 -6.786 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.340 -7.129 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.625 -6.425 1.070 1.00 0.00 H new ATOM 635 N HIS A 43 7.371 -4.818 4.886 1.00 0.00 N ATOM 636 CA HIS A 43 6.508 -5.443 5.870 1.00 0.00 C ATOM 637 C HIS A 43 5.026 -5.206 5.586 1.00 0.00 C ATOM 638 O HIS A 43 4.217 -6.048 5.981 1.00 0.00 O ATOM 639 CB HIS A 43 6.858 -4.919 7.261 1.00 0.00 C ATOM 640 CG HIS A 43 8.225 -5.314 7.750 1.00 0.00 C ATOM 641 ND1 HIS A 43 8.823 -6.553 7.679 1.00 0.00 N ATOM 642 CD2 HIS A 43 9.054 -4.504 8.466 1.00 0.00 C ATOM 643 CE1 HIS A 43 9.988 -6.476 8.348 1.00 0.00 C ATOM 644 NE2 HIS A 43 10.158 -5.250 8.872 1.00 0.00 N ATOM 0 H HIS A 43 7.906 -4.031 5.254 1.00 0.00 H new ATOM 0 HA HIS A 43 6.677 -6.518 5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.789 -3.831 7.254 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.114 -5.281 7.970 1.00 0.00 H new ATOM 0 HD1 HIS A 43 8.451 -7.377 7.206 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.884 -3.460 8.682 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.691 -7.289 8.450 1.00 0.00 H new ATOM 652 N ILE A 44 4.653 -4.098 4.932 1.00 0.00 N ATOM 653 CA ILE A 44 3.250 -3.813 4.620 1.00 0.00 C ATOM 654 C ILE A 44 2.751 -4.920 3.677 1.00 0.00 C ATOM 655 O ILE A 44 1.640 -5.431 3.846 1.00 0.00 O ATOM 656 CB ILE A 44 3.094 -2.387 4.027 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.609 -1.270 4.966 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.633 -2.074 3.632 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.853 0.064 4.236 1.00 0.00 C ATOM 0 H ILE A 44 5.306 -3.384 4.609 1.00 0.00 H new ATOM 0 HA ILE A 44 2.637 -3.818 5.521 1.00 0.00 H new ATOM 0 HB ILE A 44 3.718 -2.394 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.886 -1.113 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.537 -1.596 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.575 -1.066 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.297 -2.790 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.995 -2.145 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.213 0.807 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.598 -0.080 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.921 0.410 3.790 1.00 0.00 H new ATOM 671 N ILE A 45 3.570 -5.343 2.705 1.00 0.00 N ATOM 672 CA ILE A 45 3.191 -6.395 1.765 1.00 0.00 C ATOM 673 C ILE A 45 3.029 -7.733 2.493 1.00 0.00 C ATOM 674 O ILE A 45 2.079 -8.458 2.192 1.00 0.00 O ATOM 675 CB ILE A 45 4.185 -6.502 0.591 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.285 -5.199 -0.235 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.783 -7.683 -0.309 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.511 -4.364 0.138 1.00 0.00 C ATOM 0 H ILE A 45 4.506 -4.966 2.552 1.00 0.00 H new ATOM 0 HA ILE A 45 2.227 -6.126 1.333 1.00 0.00 H new ATOM 0 HB ILE A 45 5.176 -6.672 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.327 -5.447 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.384 -4.605 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.484 -7.762 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.803 -8.606 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.777 -7.519 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.534 -3.460 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.458 -4.091 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.415 -4.945 -0.041 1.00 0.00 H new ATOM 690 N GLN A 46 3.874 -8.041 3.486 1.00 0.00 N ATOM 691 CA GLN A 46 3.803 -9.292 4.253 1.00 0.00 C ATOM 692 C GLN A 46 2.436 -9.483 4.932 1.00 0.00 C ATOM 693 O GLN A 46 2.112 -10.578 5.397 1.00 0.00 O ATOM 694 CB GLN A 46 4.948 -9.369 5.273 1.00 0.00 C ATOM 695 CG GLN A 46 6.320 -9.473 4.591 1.00 0.00 C ATOM 696 CD GLN A 46 7.445 -9.704 5.589 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.675 -8.870 6.460 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.160 -10.815 5.477 1.00 0.00 N ATOM 0 H GLN A 46 4.631 -7.425 3.782 1.00 0.00 H new ATOM 0 HA GLN A 46 3.918 -10.113 3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.926 -8.485 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.799 -10.233 5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.304 -10.290 3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.516 -8.558 4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.944 -11.489 4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.926 -10.996 6.126 1.00 0.00 H new ATOM 707 N SER A 47 1.634 -8.423 5.034 1.00 0.00 N ATOM 708 CA SER A 47 0.306 -8.483 5.602 1.00 0.00 C ATOM 709 C SER A 47 -0.595 -9.177 4.567 1.00 0.00 C ATOM 710 O SER A 47 -1.343 -10.085 4.911 1.00 0.00 O ATOM 711 CB SER A 47 -0.153 -7.050 5.902 1.00 0.00 C ATOM 712 OG SER A 47 -1.024 -6.993 7.017 1.00 0.00 O ATOM 0 H SER A 47 1.901 -7.491 4.718 1.00 0.00 H new ATOM 0 HA SER A 47 0.270 -9.045 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.718 -6.423 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.658 -6.641 5.027 1.00 0.00 H new ATOM 0 HG SER A 47 -1.292 -6.064 7.176 1.00 0.00 H new ATOM 718 N ARG A 48 -0.529 -8.748 3.298 1.00 0.00 N ATOM 719 CA ARG A 48 -1.321 -9.276 2.186 1.00 0.00 C ATOM 720 C ARG A 48 -0.860 -10.647 1.743 1.00 0.00 C ATOM 721 O ARG A 48 -1.703 -11.446 1.341 1.00 0.00 O ATOM 722 CB ARG A 48 -1.236 -8.379 0.944 1.00 0.00 C ATOM 723 CG ARG A 48 -1.330 -6.883 1.214 1.00 0.00 C ATOM 724 CD ARG A 48 -2.645 -6.314 1.742 1.00 0.00 C ATOM 725 NE ARG A 48 -3.814 -6.784 0.986 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.805 -7.530 1.481 1.00 0.00 C ATOM 727 NH1 ARG A 48 -4.877 -7.835 2.774 1.00 0.00 N ATOM 728 NH2 ARG A 48 -5.725 -8.013 0.659 1.00 0.00 N ATOM 0 H ARG A 48 0.100 -7.998 3.012 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.339 -9.320 2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.294 -8.581 0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.036 -8.659 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.548 -6.627 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.095 -6.364 0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.761 -6.591 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.606 -5.225 1.702 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.873 -6.519 0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.162 -7.497 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.647 -8.407 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.672 -7.814 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.487 -8.584 1.025 1.00 0.00 H new ATOM 742 N GLU A 49 0.453 -10.869 1.747 1.00 0.00 N ATOM 743 CA GLU A 49 1.097 -12.105 1.351 1.00 0.00 C ATOM 744 C GLU A 49 1.360 -12.926 2.617 1.00 0.00 C ATOM 745 O GLU A 49 2.412 -12.761 3.241 1.00 0.00 O ATOM 746 CB GLU A 49 2.419 -11.810 0.624 1.00 0.00 C ATOM 747 CG GLU A 49 2.296 -11.101 -0.730 1.00 0.00 C ATOM 748 CD GLU A 49 1.416 -11.865 -1.723 1.00 0.00 C ATOM 749 OE1 GLU A 49 1.516 -13.112 -1.807 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.574 -11.239 -2.402 1.00 0.00 O ATOM 0 H GLU A 49 1.121 -10.156 2.041 1.00 0.00 H new ATOM 0 HA GLU A 49 0.456 -12.661 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.042 -11.198 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.946 -12.752 0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.882 -10.105 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.290 -10.971 -1.158 1.00 0.00 H new ATOM 757 N PRO A 50 0.455 -13.830 3.030 1.00 0.00 N ATOM 758 CA PRO A 50 0.667 -14.620 4.234 1.00 0.00 C ATOM 759 C PRO A 50 1.911 -15.504 4.119 1.00 0.00 C ATOM 760 O PRO A 50 2.593 -15.721 5.118 1.00 0.00 O ATOM 761 CB PRO A 50 -0.623 -15.426 4.418 1.00 0.00 C ATOM 762 CG PRO A 50 -1.210 -15.519 3.016 1.00 0.00 C ATOM 763 CD PRO A 50 -0.829 -14.167 2.428 1.00 0.00 C ATOM 0 HA PRO A 50 0.862 -13.995 5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.420 -16.414 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.308 -14.929 5.104 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.784 -16.346 2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.290 -15.667 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.752 -14.219 1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.581 -13.412 2.659 1.00 0.00 H new ATOM 771 N SER A 51 2.238 -15.990 2.920 1.00 0.00 N ATOM 772 CA SER A 51 3.395 -16.843 2.702 1.00 0.00 C ATOM 773 C SER A 51 4.693 -16.053 2.840 1.00 0.00 C ATOM 774 O SER A 51 5.556 -16.395 3.646 1.00 0.00 O ATOM 775 CB SER A 51 3.245 -17.507 1.334 1.00 0.00 C ATOM 776 OG SER A 51 4.190 -18.534 1.163 1.00 0.00 O ATOM 0 H SER A 51 1.702 -15.799 2.073 1.00 0.00 H new ATOM 0 HA SER A 51 3.445 -17.622 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.239 -17.914 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.368 -16.761 0.549 1.00 0.00 H new ATOM 0 HG SER A 51 4.072 -18.944 0.281 1.00 0.00 H new ATOM 782 N LEU A 52 4.811 -14.948 2.099 1.00 0.00 N ATOM 783 CA LEU A 52 6.001 -14.093 2.108 1.00 0.00 C ATOM 784 C LEU A 52 6.282 -13.514 3.499 1.00 0.00 C ATOM 785 O LEU A 52 7.386 -13.030 3.744 1.00 0.00 O ATOM 786 CB LEU A 52 5.960 -13.026 0.996 1.00 0.00 C ATOM 787 CG LEU A 52 6.229 -13.536 -0.442 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.546 -14.313 -0.575 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.109 -14.418 -1.009 1.00 0.00 C ATOM 0 H LEU A 52 4.078 -14.619 1.471 1.00 0.00 H new ATOM 0 HA LEU A 52 6.856 -14.727 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.981 -12.548 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.695 -12.256 1.231 1.00 0.00 H new ATOM 0 HG LEU A 52 6.285 -12.614 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.672 -14.641 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.379 -13.668 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.523 -15.182 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.371 -14.735 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.980 -15.295 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.178 -13.851 -1.037 1.00 0.00 H new ATOM 801 N LYS A 53 5.326 -13.575 4.438 1.00 0.00 N ATOM 802 CA LYS A 53 5.522 -13.112 5.809 1.00 0.00 C ATOM 803 C LYS A 53 6.646 -13.935 6.457 1.00 0.00 C ATOM 804 O LYS A 53 7.291 -13.451 7.387 1.00 0.00 O ATOM 805 CB LYS A 53 4.203 -13.253 6.598 1.00 0.00 C ATOM 806 CG LYS A 53 4.303 -12.720 8.036 1.00 0.00 C ATOM 807 CD LYS A 53 3.011 -12.824 8.858 1.00 0.00 C ATOM 808 CE LYS A 53 2.087 -11.602 8.745 1.00 0.00 C ATOM 809 NZ LYS A 53 1.030 -11.740 7.721 1.00 0.00 N ATOM 0 H LYS A 53 4.394 -13.949 4.261 1.00 0.00 H new ATOM 0 HA LYS A 53 5.809 -12.060 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.413 -12.717 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.913 -14.303 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.091 -13.265 8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.609 -11.675 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.462 -13.710 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.272 -12.971 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.619 -11.422 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.690 -10.724 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.176 -11.235 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.362 -11.335 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.807 -12.747 7.586 1.00 0.00 H new ATOM 823 N ASN A 54 6.894 -15.159 5.979 1.00 0.00 N ATOM 824 CA ASN A 54 7.925 -16.041 6.511 1.00 0.00 C ATOM 825 C ASN A 54 9.289 -15.818 5.847 1.00 0.00 C ATOM 826 O ASN A 54 10.270 -16.386 6.323 1.00 0.00 O ATOM 827 CB ASN A 54 7.495 -17.520 6.378 1.00 0.00 C ATOM 828 CG ASN A 54 6.105 -17.856 6.920 1.00 0.00 C ATOM 829 OD1 ASN A 54 5.435 -18.774 6.455 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.630 -17.146 7.927 1.00 0.00 N ATOM 0 H ASN A 54 6.374 -15.566 5.201 1.00 0.00 H new ATOM 0 HA ASN A 54 8.040 -15.795 7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.531 -17.797 5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.227 -18.140 6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.711 -17.361 8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.182 -16.382 8.318 1.00 0.00 H new ATOM 837 N SER A 55 9.381 -15.047 4.757 1.00 0.00 N ATOM 838 CA SER A 55 10.640 -14.776 4.066 1.00 0.00 C ATOM 839 C SER A 55 11.346 -13.548 4.656 1.00 0.00 C ATOM 840 O SER A 55 10.776 -12.812 5.472 1.00 0.00 O ATOM 841 CB SER A 55 10.365 -14.596 2.567 1.00 0.00 C ATOM 842 OG SER A 55 10.061 -15.850 1.984 1.00 0.00 O ATOM 0 H SER A 55 8.575 -14.591 4.329 1.00 0.00 H new ATOM 0 HA SER A 55 11.312 -15.623 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.535 -13.905 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.235 -14.158 2.078 1.00 0.00 H new ATOM 0 HG SER A 55 9.884 -15.732 1.027 1.00 0.00 H new ATOM 848 N ASN A 56 12.620 -13.359 4.294 1.00 0.00 N ATOM 849 CA ASN A 56 13.436 -12.234 4.748 1.00 0.00 C ATOM 850 C ASN A 56 13.136 -11.026 3.858 1.00 0.00 C ATOM 851 O ASN A 56 12.854 -11.226 2.679 1.00 0.00 O ATOM 852 CB ASN A 56 14.934 -12.575 4.626 1.00 0.00 C ATOM 853 CG ASN A 56 15.735 -12.069 5.816 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.284 -12.165 6.953 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.908 -11.508 5.600 1.00 0.00 N ATOM 0 H ASN A 56 13.117 -13.993 3.669 1.00 0.00 H new ATOM 0 HA ASN A 56 13.202 -12.018 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.054 -13.655 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.331 -12.138 3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.453 -11.147 6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.271 -11.435 4.650 1.00 0.00 H new ATOM 862 N PRO A 57 13.280 -9.779 4.331 1.00 0.00 N ATOM 863 CA PRO A 57 12.996 -8.602 3.517 1.00 0.00 C ATOM 864 C PRO A 57 13.851 -8.505 2.249 1.00 0.00 C ATOM 865 O PRO A 57 13.325 -8.137 1.202 1.00 0.00 O ATOM 866 CB PRO A 57 13.204 -7.402 4.446 1.00 0.00 C ATOM 867 CG PRO A 57 14.115 -7.948 5.539 1.00 0.00 C ATOM 868 CD PRO A 57 13.616 -9.374 5.684 1.00 0.00 C ATOM 0 HA PRO A 57 11.978 -8.648 3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.664 -6.564 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.259 -7.042 4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.166 -7.911 5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.019 -7.386 6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.381 -10.021 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.748 -9.426 6.341 1.00 0.00 H new ATOM 876 N ASP A 58 15.143 -8.841 2.317 1.00 0.00 N ATOM 877 CA ASP A 58 16.034 -8.763 1.151 1.00 0.00 C ATOM 878 C ASP A 58 15.818 -9.923 0.173 1.00 0.00 C ATOM 879 O ASP A 58 16.336 -9.897 -0.942 1.00 0.00 O ATOM 880 CB ASP A 58 17.505 -8.730 1.596 1.00 0.00 C ATOM 881 CG ASP A 58 18.386 -7.951 0.616 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.492 -6.718 0.796 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.013 -8.524 -0.305 1.00 0.00 O ATOM 0 H ASP A 58 15.598 -9.171 3.169 1.00 0.00 H new ATOM 0 HA ASP A 58 15.788 -7.838 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.574 -8.276 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.879 -9.750 1.687 1.00 0.00 H new ATOM 888 N GLU A 59 15.088 -10.965 0.584 1.00 0.00 N ATOM 889 CA GLU A 59 14.789 -12.156 -0.217 1.00 0.00 C ATOM 890 C GLU A 59 13.468 -12.004 -0.972 1.00 0.00 C ATOM 891 O GLU A 59 13.096 -12.885 -1.750 1.00 0.00 O ATOM 892 CB GLU A 59 14.711 -13.392 0.699 1.00 0.00 C ATOM 893 CG GLU A 59 16.017 -13.682 1.440 1.00 0.00 C ATOM 894 CD GLU A 59 17.131 -14.111 0.496 1.00 0.00 C ATOM 895 OE1 GLU A 59 17.130 -15.297 0.085 1.00 0.00 O ATOM 896 OE2 GLU A 59 17.995 -13.273 0.158 1.00 0.00 O ATOM 0 H GLU A 59 14.675 -11.003 1.516 1.00 0.00 H new ATOM 0 HA GLU A 59 15.590 -12.279 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.913 -13.246 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.440 -14.262 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.329 -12.791 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.847 -14.465 2.179 1.00 0.00 H new ATOM 903 N ILE A 60 12.723 -10.933 -0.710 1.00 0.00 N ATOM 904 CA ILE A 60 11.449 -10.661 -1.359 1.00 0.00 C ATOM 905 C ILE A 60 11.731 -9.633 -2.460 1.00 0.00 C ATOM 906 O ILE A 60 12.593 -8.766 -2.302 1.00 0.00 O ATOM 907 CB ILE A 60 10.420 -10.197 -0.303 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.182 -11.281 0.776 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.070 -9.888 -0.964 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.641 -10.728 2.102 1.00 0.00 C ATOM 0 H ILE A 60 12.994 -10.222 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 60 11.006 -11.543 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 60 10.832 -9.302 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.480 -12.019 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.120 -11.803 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.359 -9.563 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.199 -9.097 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.692 -10.785 -1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.500 -11.547 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.352 -10.012 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.687 -10.232 1.927 1.00 0.00 H new ATOM 922 N GLU A 61 10.992 -9.718 -3.567 1.00 0.00 N ATOM 923 CA GLU A 61 11.124 -8.822 -4.711 1.00 0.00 C ATOM 924 C GLU A 61 9.855 -7.980 -4.851 1.00 0.00 C ATOM 925 O GLU A 61 8.740 -8.508 -4.760 1.00 0.00 O ATOM 926 CB GLU A 61 11.503 -9.599 -5.983 1.00 0.00 C ATOM 927 CG GLU A 61 10.423 -10.562 -6.492 1.00 0.00 C ATOM 928 CD GLU A 61 10.768 -11.274 -7.806 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.679 -10.834 -8.546 1.00 0.00 O ATOM 930 OE2 GLU A 61 10.059 -12.267 -8.106 1.00 0.00 O ATOM 0 H GLU A 61 10.270 -10.428 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 61 11.947 -8.127 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.735 -8.885 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.413 -10.166 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.235 -11.314 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.495 -10.007 -6.628 1.00 0.00 H new ATOM 937 N ILE A 62 10.011 -6.665 -5.005 1.00 0.00 N ATOM 938 CA ILE A 62 8.921 -5.718 -5.150 1.00 0.00 C ATOM 939 C ILE A 62 8.618 -5.588 -6.642 1.00 0.00 C ATOM 940 O ILE A 62 9.308 -4.871 -7.369 1.00 0.00 O ATOM 941 CB ILE A 62 9.309 -4.355 -4.530 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.739 -4.497 -3.052 1.00 0.00 C ATOM 943 CG2 ILE A 62 8.119 -3.383 -4.660 1.00 0.00 C ATOM 944 CD1 ILE A 62 10.381 -3.223 -2.493 1.00 0.00 C ATOM 0 H ILE A 62 10.930 -6.223 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 62 8.032 -6.065 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 62 10.167 -3.960 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.868 -4.754 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.444 -5.323 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.386 -2.420 -4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.872 -3.249 -5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.256 -3.792 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.662 -3.384 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 62 11.269 -2.978 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.669 -2.400 -2.554 1.00 0.00 H new ATOM 956 N ASP A 63 7.540 -6.224 -7.082 1.00 0.00 N ATOM 957 CA ASP A 63 7.083 -6.197 -8.467 1.00 0.00 C ATOM 958 C ASP A 63 5.622 -5.787 -8.387 1.00 0.00 C ATOM 959 O ASP A 63 4.870 -6.284 -7.550 1.00 0.00 O ATOM 960 CB ASP A 63 7.366 -7.524 -9.174 1.00 0.00 C ATOM 961 CG ASP A 63 8.549 -7.337 -10.111 1.00 0.00 C ATOM 962 OD1 ASP A 63 9.703 -7.237 -9.636 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.280 -7.161 -11.320 1.00 0.00 O ATOM 0 H ASP A 63 6.945 -6.786 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 63 7.619 -5.484 -9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.583 -8.303 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.489 -7.848 -9.734 1.00 0.00 H new ATOM 968 N PHE A 64 5.187 -4.847 -9.223 1.00 0.00 N ATOM 969 CA PHE A 64 3.818 -4.340 -9.158 1.00 0.00 C ATOM 970 C PHE A 64 2.856 -5.100 -10.052 1.00 0.00 C ATOM 971 O PHE A 64 1.662 -4.792 -10.105 1.00 0.00 O ATOM 972 CB PHE A 64 3.849 -2.835 -9.434 1.00 0.00 C ATOM 973 CG PHE A 64 4.881 -2.086 -8.604 1.00 0.00 C ATOM 974 CD1 PHE A 64 4.921 -2.253 -7.203 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.819 -1.239 -9.225 1.00 0.00 C ATOM 976 CE1 PHE A 64 5.864 -1.555 -6.429 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.781 -0.567 -8.449 1.00 0.00 C ATOM 978 CZ PHE A 64 6.805 -0.720 -7.052 1.00 0.00 C ATOM 0 H PHE A 64 5.761 -4.422 -9.951 1.00 0.00 H new ATOM 0 HA PHE A 64 3.421 -4.507 -8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.057 -2.672 -10.491 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.862 -2.417 -9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.222 -2.922 -6.722 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.800 -1.105 -10.297 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.865 -1.661 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.507 0.072 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.543 -0.198 -6.461 1.00 0.00 H new ATOM 988 N GLU A 65 3.373 -6.111 -10.738 1.00 0.00 N ATOM 989 CA GLU A 65 2.626 -6.949 -11.649 1.00 0.00 C ATOM 990 C GLU A 65 2.225 -8.274 -10.988 1.00 0.00 C ATOM 991 O GLU A 65 1.214 -8.875 -11.350 1.00 0.00 O ATOM 992 CB GLU A 65 3.447 -7.019 -12.939 1.00 0.00 C ATOM 993 CG GLU A 65 4.598 -8.031 -13.085 1.00 0.00 C ATOM 994 CD GLU A 65 5.225 -7.960 -14.496 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.075 -6.916 -15.182 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.810 -8.961 -14.967 1.00 0.00 O ATOM 0 H GLU A 65 4.356 -6.374 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 65 1.651 -6.543 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.748 -7.208 -13.754 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.869 -6.028 -13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.361 -7.829 -12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.226 -9.039 -12.899 1.00 0.00 H new ATOM 1003 N THR A 66 2.956 -8.672 -9.946 1.00 0.00 N ATOM 1004 CA THR A 66 2.724 -9.887 -9.181 1.00 0.00 C ATOM 1005 C THR A 66 1.935 -9.571 -7.900 1.00 0.00 C ATOM 1006 O THR A 66 1.170 -10.413 -7.421 1.00 0.00 O ATOM 1007 CB THR A 66 4.091 -10.550 -8.920 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.949 -11.825 -8.340 1.00 0.00 O ATOM 1009 CG2 THR A 66 5.004 -9.720 -8.020 1.00 0.00 C ATOM 0 H THR A 66 3.753 -8.135 -9.604 1.00 0.00 H new ATOM 0 HA THR A 66 2.106 -10.595 -9.733 1.00 0.00 H new ATOM 0 HB THR A 66 4.552 -10.630 -9.904 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.835 -12.217 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.949 -10.244 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.193 -8.753 -8.486 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.523 -9.570 -7.053 1.00 0.00 H new ATOM 1017 N LEU A 67 2.075 -8.359 -7.347 1.00 0.00 N ATOM 1018 CA LEU A 67 1.382 -7.962 -6.129 1.00 0.00 C ATOM 1019 C LEU A 67 -0.067 -7.578 -6.403 1.00 0.00 C ATOM 1020 O LEU A 67 -0.373 -6.913 -7.391 1.00 0.00 O ATOM 1021 CB LEU A 67 2.114 -6.794 -5.448 1.00 0.00 C ATOM 1022 CG LEU A 67 3.465 -7.193 -4.823 1.00 0.00 C ATOM 1023 CD1 LEU A 67 4.124 -5.948 -4.217 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.308 -8.288 -3.762 1.00 0.00 C ATOM 0 H LEU A 67 2.674 -7.631 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 67 1.381 -8.823 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.281 -6.004 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.473 -6.378 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 67 4.098 -7.604 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.081 -6.223 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.286 -5.206 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.474 -5.530 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.285 -8.537 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.657 -7.931 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.870 -9.176 -4.218 1.00 0.00 H new ATOM 1036 N LYS A 68 -0.950 -7.943 -5.474 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.380 -7.665 -5.522 1.00 0.00 C ATOM 1038 C LYS A 68 -2.621 -6.147 -5.491 1.00 0.00 C ATOM 1039 O LYS A 68 -1.841 -5.417 -4.876 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.048 -8.369 -4.319 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.540 -9.784 -4.668 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.003 -10.613 -3.457 1.00 0.00 C ATOM 1043 CE LYS A 68 -2.871 -11.077 -2.526 1.00 0.00 C ATOM 1044 NZ LYS A 68 -1.953 -12.037 -3.169 1.00 0.00 N ATOM 0 H LYS A 68 -0.676 -8.459 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.816 -8.044 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.337 -8.427 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.890 -7.770 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.366 -9.704 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.737 -10.320 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.712 -10.021 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.541 -11.490 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.304 -10.208 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.304 -11.536 -1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.959 -12.932 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.262 -12.212 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.990 -11.645 -3.176 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.738 -5.647 -6.054 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.050 -4.217 -6.058 1.00 0.00 C ATOM 1060 C PRO A 69 -4.189 -3.654 -4.644 1.00 0.00 C ATOM 1061 O PRO A 69 -3.815 -2.509 -4.392 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.346 -4.070 -6.858 1.00 0.00 C ATOM 1063 CG PRO A 69 -5.958 -5.465 -6.865 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.743 -6.386 -6.801 1.00 0.00 C ATOM 0 HA PRO A 69 -3.240 -3.644 -6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.017 -3.346 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.148 -3.719 -7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.622 -5.616 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.548 -5.640 -7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.988 -7.326 -6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.386 -6.635 -7.800 1.00 0.00 H new ATOM 1072 N SER A 70 -4.716 -4.454 -3.714 1.00 0.00 N ATOM 1073 CA SER A 70 -4.897 -4.035 -2.334 1.00 0.00 C ATOM 1074 C SER A 70 -3.573 -3.700 -1.651 1.00 0.00 C ATOM 1075 O SER A 70 -3.502 -2.753 -0.875 1.00 0.00 O ATOM 1076 CB SER A 70 -5.634 -5.134 -1.558 1.00 0.00 C ATOM 1077 OG SER A 70 -5.088 -6.422 -1.826 1.00 0.00 O ATOM 0 H SER A 70 -5.027 -5.407 -3.902 1.00 0.00 H new ATOM 0 HA SER A 70 -5.492 -3.121 -2.338 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.574 -4.928 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.691 -5.123 -1.826 1.00 0.00 H new ATOM 0 HG SER A 70 -5.782 -6.998 -2.210 1.00 0.00 H new ATOM 1083 N THR A 71 -2.520 -4.456 -1.959 1.00 0.00 N ATOM 1084 CA THR A 71 -1.199 -4.279 -1.398 1.00 0.00 C ATOM 1085 C THR A 71 -0.710 -2.855 -1.608 1.00 0.00 C ATOM 1086 O THR A 71 -0.403 -2.122 -0.673 1.00 0.00 O ATOM 1087 CB THR A 71 -0.263 -5.295 -2.091 1.00 0.00 C ATOM 1088 OG1 THR A 71 -0.838 -6.594 -2.138 1.00 0.00 O ATOM 1089 CG2 THR A 71 1.096 -5.364 -1.411 1.00 0.00 C ATOM 0 H THR A 71 -2.573 -5.227 -2.625 1.00 0.00 H new ATOM 0 HA THR A 71 -1.214 -4.452 -0.322 1.00 0.00 H new ATOM 0 HB THR A 71 -0.125 -4.938 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.220 -7.210 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.725 -6.089 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.570 -4.383 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.968 -5.669 -0.372 1.00 0.00 H new ATOM 1097 N LEU A 72 -0.681 -2.449 -2.868 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.207 -1.145 -3.273 1.00 0.00 C ATOM 1099 C LEU A 72 -0.992 -0.003 -2.646 1.00 0.00 C ATOM 1100 O LEU A 72 -0.407 1.042 -2.389 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.216 -1.071 -4.791 1.00 0.00 C ATOM 1102 CG LEU A 72 0.431 -2.282 -5.490 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.445 -2.051 -6.988 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.858 -2.599 -5.026 1.00 0.00 C ATOM 0 H LEU A 72 -0.992 -3.030 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 72 0.812 -1.022 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.247 -0.978 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.306 -0.166 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.180 -3.142 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.903 -2.907 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.577 -1.927 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.019 -1.152 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.234 -3.465 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.502 -1.741 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.853 -2.816 -3.958 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.295 -0.164 -2.393 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.077 0.902 -1.768 1.00 0.00 C ATOM 1118 C ARG A 73 -2.541 1.183 -0.364 1.00 0.00 C ATOM 1119 O ARG A 73 -2.546 2.330 0.069 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.563 0.504 -1.718 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.294 0.788 -3.040 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.684 2.274 -3.100 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.176 2.679 -4.422 1.00 0.00 N ATOM 1124 CZ ARG A 73 -6.728 3.869 -4.708 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.038 4.745 -3.754 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -7.001 4.166 -5.967 1.00 0.00 N ATOM 0 H ARG A 73 -2.822 -1.010 -2.608 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.986 1.812 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.644 -0.557 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.054 1.048 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.653 0.535 -3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.184 0.164 -3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.453 2.474 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.819 2.883 -2.837 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.092 2.004 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.857 4.519 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.457 5.642 -4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.792 3.495 -6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.420 5.066 -6.199 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.079 0.154 0.347 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.544 0.325 1.696 1.00 0.00 C ATOM 1142 C GLU A 74 -0.180 1.014 1.622 1.00 0.00 C ATOM 1143 O GLU A 74 0.150 1.835 2.481 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.457 -1.030 2.418 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.859 -1.592 2.679 1.00 0.00 C ATOM 1146 CD GLU A 74 -2.909 -2.977 3.325 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -1.864 -3.616 3.589 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -4.037 -3.449 3.609 1.00 0.00 O ATOM 0 H GLU A 74 -2.065 -0.808 0.009 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.216 0.958 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.884 -1.734 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.925 -0.912 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.397 -0.893 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.396 -1.634 1.731 1.00 0.00 H new ATOM 1155 N LEU A 75 0.606 0.693 0.590 1.00 0.00 N ATOM 1156 CA LEU A 75 1.923 1.278 0.377 1.00 0.00 C ATOM 1157 C LEU A 75 1.758 2.767 0.072 1.00 0.00 C ATOM 1158 O LEU A 75 2.432 3.590 0.694 1.00 0.00 O ATOM 1159 CB LEU A 75 2.673 0.584 -0.771 1.00 0.00 C ATOM 1160 CG LEU A 75 2.878 -0.933 -0.648 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.651 -1.454 -1.863 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.609 -1.310 0.634 1.00 0.00 C ATOM 0 H LEU A 75 0.340 0.014 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 75 2.515 1.141 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.132 0.780 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.652 1.052 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 75 1.892 -1.396 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.793 -2.531 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.088 -1.240 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.623 -0.963 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.732 -2.392 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.589 -0.833 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.030 -0.975 1.495 1.00 0.00 H new ATOM 1174 N GLU A 76 0.861 3.101 -0.862 1.00 0.00 N ATOM 1175 CA GLU A 76 0.535 4.456 -1.293 1.00 0.00 C ATOM 1176 C GLU A 76 0.081 5.299 -0.107 1.00 0.00 C ATOM 1177 O GLU A 76 0.509 6.449 0.029 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.559 4.409 -2.374 1.00 0.00 C ATOM 1179 CG GLU A 76 -0.923 5.806 -2.914 1.00 0.00 C ATOM 1180 CD GLU A 76 -0.108 6.307 -4.107 1.00 0.00 C ATOM 1181 OE1 GLU A 76 0.785 5.593 -4.605 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -0.490 7.386 -4.627 1.00 0.00 O ATOM 0 H GLU A 76 0.318 2.395 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 76 1.428 4.918 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.222 3.782 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.452 3.940 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.975 5.799 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.817 6.525 -2.102 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.790 4.765 0.754 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.260 5.505 1.907 1.00 0.00 C ATOM 1191 C ARG A 77 -0.073 5.930 2.759 1.00 0.00 C ATOM 1192 O ARG A 77 0.061 7.115 3.055 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.273 4.657 2.692 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.090 5.552 3.626 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.029 4.715 4.500 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.973 5.546 5.263 1.00 0.00 N ATOM 1197 CZ ARG A 77 -5.882 5.088 6.131 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -5.903 3.803 6.486 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -6.776 5.926 6.634 1.00 0.00 N ATOM 0 H ARG A 77 -1.177 3.825 0.667 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.775 6.411 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.936 4.136 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.751 3.894 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.419 6.133 4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.671 6.264 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.586 4.022 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.438 4.113 5.191 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.931 6.555 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.220 3.155 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.602 3.468 7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.766 6.908 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.474 5.589 7.297 1.00 0.00 H new ATOM 1213 N TYR A 78 0.780 4.973 3.111 1.00 0.00 N ATOM 1214 CA TYR A 78 1.948 5.183 3.940 1.00 0.00 C ATOM 1215 C TYR A 78 2.925 6.206 3.356 1.00 0.00 C ATOM 1216 O TYR A 78 3.277 7.148 4.073 1.00 0.00 O ATOM 1217 CB TYR A 78 2.613 3.833 4.239 1.00 0.00 C ATOM 1218 CG TYR A 78 3.956 3.979 4.922 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.051 4.508 6.222 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.125 3.667 4.212 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.315 4.780 6.777 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.383 3.931 4.763 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.488 4.524 6.038 1.00 0.00 C ATOM 1224 OH TYR A 78 7.705 4.831 6.554 1.00 0.00 O ATOM 0 H TYR A 78 0.669 4.003 2.815 1.00 0.00 H new ATOM 0 HA TYR A 78 1.620 5.625 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.952 3.240 4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.742 3.283 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.156 4.705 6.793 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.053 3.219 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.387 5.187 7.775 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.276 3.680 4.211 1.00 0.00 H new ATOM 0 HH TYR A 78 8.404 4.587 5.912 1.00 0.00 H new ATOM 1234 N VAL A 79 3.367 6.064 2.096 1.00 0.00 N ATOM 1235 CA VAL A 79 4.317 7.018 1.529 1.00 0.00 C ATOM 1236 C VAL A 79 3.735 8.414 1.506 1.00 0.00 C ATOM 1237 O VAL A 79 4.433 9.352 1.886 1.00 0.00 O ATOM 1238 CB VAL A 79 4.846 6.599 0.139 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.392 5.170 0.154 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.826 6.685 -1.006 1.00 0.00 C ATOM 0 H VAL A 79 3.086 5.312 1.467 1.00 0.00 H new ATOM 0 HA VAL A 79 5.185 7.020 2.189 1.00 0.00 H new ATOM 0 HB VAL A 79 5.629 7.331 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.755 4.909 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.211 5.101 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.599 4.480 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.297 6.370 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.979 6.034 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.477 7.713 -1.106 1.00 0.00 H new ATOM 1250 N THR A 80 2.469 8.563 1.119 1.00 0.00 N ATOM 1251 CA THR A 80 1.883 9.885 1.070 1.00 0.00 C ATOM 1252 C THR A 80 1.770 10.448 2.481 1.00 0.00 C ATOM 1253 O THR A 80 1.987 11.637 2.639 1.00 0.00 O ATOM 1254 CB THR A 80 0.590 9.815 0.268 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.942 9.513 -1.071 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.251 11.090 0.273 1.00 0.00 C ATOM 0 H THR A 80 1.850 7.801 0.843 1.00 0.00 H new ATOM 0 HA THR A 80 2.513 10.602 0.543 1.00 0.00 H new ATOM 0 HB THR A 80 -0.032 9.055 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.131 9.458 -1.618 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.149 10.936 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.535 11.334 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.330 11.911 -0.148 1.00 0.00 H new ATOM 1264 N SER A 81 1.524 9.656 3.523 1.00 0.00 N ATOM 1265 CA SER A 81 1.432 10.200 4.877 1.00 0.00 C ATOM 1266 C SER A 81 2.795 10.746 5.318 1.00 0.00 C ATOM 1267 O SER A 81 2.841 11.678 6.119 1.00 0.00 O ATOM 1268 CB SER A 81 0.956 9.126 5.856 1.00 0.00 C ATOM 1269 OG SER A 81 -0.301 8.592 5.499 1.00 0.00 O ATOM 0 H SER A 81 1.386 8.647 3.458 1.00 0.00 H new ATOM 0 HA SER A 81 0.706 11.013 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.691 8.322 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.896 9.552 6.857 1.00 0.00 H new ATOM 0 HG SER A 81 -0.215 8.082 4.667 1.00 0.00 H new ATOM 1275 N CYS A 82 3.901 10.183 4.818 1.00 0.00 N ATOM 1276 CA CYS A 82 5.246 10.645 5.142 1.00 0.00 C ATOM 1277 C CYS A 82 5.606 11.904 4.341 1.00 0.00 C ATOM 1278 O CYS A 82 6.576 12.580 4.680 1.00 0.00 O ATOM 1279 CB CYS A 82 6.260 9.542 4.835 1.00 0.00 C ATOM 1280 SG CYS A 82 6.152 8.242 6.097 1.00 0.00 S ATOM 0 H CYS A 82 3.883 9.391 4.175 1.00 0.00 H new ATOM 0 HA CYS A 82 5.274 10.890 6.204 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.066 9.121 3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.268 9.957 4.812 1.00 0.00 H new ATOM 0 HG CYS A 82 6.349 7.082 5.543 1.00 0.00 H new ATOM 1286 N LEU A 83 4.844 12.228 3.294 1.00 0.00 N ATOM 1287 CA LEU A 83 5.047 13.394 2.432 1.00 0.00 C ATOM 1288 C LEU A 83 4.117 14.535 2.838 1.00 0.00 C ATOM 1289 O LEU A 83 4.553 15.679 2.995 1.00 0.00 O ATOM 1290 CB LEU A 83 4.786 12.998 0.968 1.00 0.00 C ATOM 1291 CG LEU A 83 5.792 11.955 0.461 1.00 0.00 C ATOM 1292 CD1 LEU A 83 5.339 11.331 -0.851 1.00 0.00 C ATOM 1293 CD2 LEU A 83 7.168 12.596 0.244 1.00 0.00 C ATOM 0 H LEU A 83 4.041 11.666 3.013 1.00 0.00 H new ATOM 0 HA LEU A 83 6.076 13.738 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.775 12.600 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.838 13.886 0.338 1.00 0.00 H new ATOM 0 HG LEU A 83 5.855 11.178 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.076 10.598 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.377 10.839 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.239 12.109 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.868 11.842 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.085 13.395 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.530 13.008 1.186 1.00 0.00 H new