USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 72 SER OG : rot -83:sc= 0.586 USER MOD Set 1.2: A 73 CYS SG : rot 174:sc= -0.695 USER MOD Set 2.1: A 46 GLN : amide:sc= 0 X(o=-0.033,f=-0.17) USER MOD Set 2.2: A 52 SER OG : rot -140:sc= -0.0332 USER MOD Single : A 15 SER OG : rot 151:sc= 0.419 USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0375 (180deg=-0.302) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.027) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -4.59! C(o=-4.6!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 92:sc= 0.00382 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.98 USER MOD Single : A 62 SER OG : rot 57:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.8!) USER MOD Single : A 74 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.086) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc=-0.000865 X(o=-0.00086,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.823 15.792 4.516 1.00 0.00 N ATOM 163 CA SER A 15 -1.153 14.736 5.267 1.00 0.00 C ATOM 164 C SER A 15 -0.359 13.826 4.335 1.00 0.00 C ATOM 165 O SER A 15 -0.904 13.262 3.386 1.00 0.00 O ATOM 166 CB SER A 15 -2.176 13.913 6.053 1.00 0.00 C ATOM 167 OG SER A 15 -1.585 12.741 6.587 1.00 0.00 O ATOM 0 HA SER A 15 -0.460 15.204 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.589 14.516 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.006 13.641 5.402 1.00 0.00 H new ATOM 0 HG SER A 15 -2.050 12.487 7.412 1.00 0.00 H new ATOM 173 N LYS A 16 0.933 13.688 4.613 1.00 0.00 N ATOM 174 CA LYS A 16 1.805 12.846 3.802 1.00 0.00 C ATOM 175 C LYS A 16 1.703 11.385 4.231 1.00 0.00 C ATOM 176 O LYS A 16 2.100 10.482 3.494 1.00 0.00 O ATOM 177 CB LYS A 16 3.255 13.321 3.914 1.00 0.00 C ATOM 178 CG LYS A 16 4.010 12.701 5.077 1.00 0.00 C ATOM 179 CD LYS A 16 3.494 13.209 6.412 1.00 0.00 C ATOM 180 CE LYS A 16 4.548 13.086 7.501 1.00 0.00 C ATOM 181 NZ LYS A 16 5.668 14.046 7.300 1.00 0.00 N ATOM 0 H LYS A 16 1.400 14.149 5.394 1.00 0.00 H new ATOM 0 HA LYS A 16 1.482 12.925 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.778 13.087 2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.266 14.406 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.913 11.616 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.072 12.930 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.191 14.252 6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.606 12.645 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.088 13.263 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.940 12.069 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.166 14.193 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.331 13.663 6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.290 14.954 6.961 1.00 0.00 H new ATOM 195 N THR A 17 1.166 11.160 5.426 1.00 0.00 N ATOM 196 CA THR A 17 1.012 9.809 5.952 1.00 0.00 C ATOM 197 C THR A 17 -0.365 9.245 5.621 1.00 0.00 C ATOM 198 O THR A 17 -1.389 9.846 5.947 1.00 0.00 O ATOM 199 CB THR A 17 1.215 9.774 7.478 1.00 0.00 C ATOM 200 OG1 THR A 17 2.550 10.177 7.804 1.00 0.00 O ATOM 201 CG2 THR A 17 0.952 8.380 8.027 1.00 0.00 C ATOM 0 H THR A 17 0.830 11.896 6.048 1.00 0.00 H new ATOM 0 HA THR A 17 1.777 9.195 5.477 1.00 0.00 H new ATOM 0 HB THR A 17 0.506 10.466 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.671 10.154 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.102 8.380 9.107 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.074 8.088 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.640 7.671 7.565 1.00 0.00 H new ATOM 209 N LEU A 18 -0.383 8.085 4.972 1.00 0.00 N ATOM 210 CA LEU A 18 -1.636 7.438 4.597 1.00 0.00 C ATOM 211 C LEU A 18 -1.957 6.285 5.543 1.00 0.00 C ATOM 212 O LEU A 18 -1.059 5.595 6.025 1.00 0.00 O ATOM 213 CB LEU A 18 -1.557 6.925 3.158 1.00 0.00 C ATOM 214 CG LEU A 18 -0.969 7.894 2.132 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.846 7.223 0.773 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.822 9.150 2.033 1.00 0.00 C ATOM 0 H LEU A 18 0.455 7.574 4.695 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.434 8.177 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.960 6.013 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.561 6.651 2.835 1.00 0.00 H new ATOM 0 HG LEU A 18 0.028 8.182 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.426 7.928 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.192 6.355 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.832 6.905 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.388 9.828 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.832 8.880 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.858 9.643 3.004 1.00 0.00 H new ATOM 228 N VAL A 19 -3.245 6.081 5.803 1.00 0.00 N ATOM 229 CA VAL A 19 -3.686 5.010 6.688 1.00 0.00 C ATOM 230 C VAL A 19 -4.402 3.913 5.909 1.00 0.00 C ATOM 231 O VAL A 19 -5.449 4.148 5.304 1.00 0.00 O ATOM 232 CB VAL A 19 -4.625 5.541 7.787 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.821 4.494 8.873 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.081 6.834 8.374 1.00 0.00 C ATOM 0 H VAL A 19 -4.001 6.644 5.413 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.792 4.596 7.154 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.596 5.753 7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.487 4.887 9.641 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.259 3.596 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.858 4.248 9.320 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.757 7.195 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.097 6.652 8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.998 7.584 7.587 1.00 0.00 H new ATOM 244 N LEU A 20 -3.831 2.713 5.927 1.00 0.00 N ATOM 245 CA LEU A 20 -4.416 1.577 5.222 1.00 0.00 C ATOM 246 C LEU A 20 -5.329 0.776 6.144 1.00 0.00 C ATOM 247 O LEU A 20 -4.973 0.482 7.285 1.00 0.00 O ATOM 248 CB LEU A 20 -3.313 0.674 4.667 1.00 0.00 C ATOM 249 CG LEU A 20 -3.764 -0.419 3.698 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.620 -0.828 2.784 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.296 -1.623 4.462 1.00 0.00 C ATOM 0 H LEU A 20 -2.964 2.502 6.422 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.013 1.962 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.579 1.301 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.803 0.200 5.506 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.569 -0.021 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.960 -1.607 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.286 0.036 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.793 -1.207 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.612 -2.391 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.511 -2.022 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.146 -1.320 5.073 1.00 0.00 H new ATOM 263 N SER A 21 -6.508 0.423 5.640 1.00 0.00 N ATOM 264 CA SER A 21 -7.473 -0.343 6.418 1.00 0.00 C ATOM 265 C SER A 21 -7.827 -1.649 5.712 1.00 0.00 C ATOM 266 O SER A 21 -7.878 -1.708 4.484 1.00 0.00 O ATOM 267 CB SER A 21 -8.740 0.482 6.654 1.00 0.00 C ATOM 268 OG SER A 21 -8.581 1.356 7.758 1.00 0.00 O ATOM 0 H SER A 21 -6.817 0.656 4.696 1.00 0.00 H new ATOM 0 HA SER A 21 -7.019 -0.582 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.974 1.060 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.584 -0.185 6.832 1.00 0.00 H new ATOM 0 HG SER A 21 -9.403 1.873 7.887 1.00 0.00 H new ATOM 274 N ASN A 22 -8.071 -2.692 6.498 1.00 0.00 N ATOM 275 CA ASN A 22 -8.420 -3.998 5.949 1.00 0.00 C ATOM 276 C ASN A 22 -7.195 -4.680 5.348 1.00 0.00 C ATOM 277 O ASN A 22 -7.271 -5.289 4.280 1.00 0.00 O ATOM 278 CB ASN A 22 -9.510 -3.852 4.885 1.00 0.00 C ATOM 279 CG ASN A 22 -10.276 -5.141 4.662 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.188 -5.473 5.420 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.909 -5.875 3.619 1.00 0.00 N ATOM 0 H ASN A 22 -8.034 -2.659 7.517 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.796 -4.618 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.204 -3.067 5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.057 -3.535 3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.388 -6.753 3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.148 -5.561 3.017 1.00 0.00 H new ATOM 288 N LEU A 23 -6.066 -4.574 6.041 1.00 0.00 N ATOM 289 CA LEU A 23 -4.824 -5.181 5.577 1.00 0.00 C ATOM 290 C LEU A 23 -4.788 -6.670 5.908 1.00 0.00 C ATOM 291 O LEU A 23 -4.978 -7.065 7.058 1.00 0.00 O ATOM 292 CB LEU A 23 -3.622 -4.477 6.209 1.00 0.00 C ATOM 293 CG LEU A 23 -2.291 -4.626 5.470 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.193 -3.856 6.186 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.916 -6.095 5.338 1.00 0.00 C ATOM 0 H LEU A 23 -5.986 -4.073 6.926 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.776 -5.067 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.851 -3.415 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.496 -4.857 7.223 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.405 -4.209 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.254 -3.974 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.457 -2.799 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.079 -4.242 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.967 -6.182 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.821 -6.537 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.691 -6.620 4.780 1.00 0.00 H new ATOM 307 N SER A 24 -4.541 -7.491 4.892 1.00 0.00 N ATOM 308 CA SER A 24 -4.482 -8.936 5.075 1.00 0.00 C ATOM 309 C SER A 24 -3.230 -9.335 5.851 1.00 0.00 C ATOM 310 O SER A 24 -2.131 -8.860 5.564 1.00 0.00 O ATOM 311 CB SER A 24 -4.502 -9.645 3.719 1.00 0.00 C ATOM 312 OG SER A 24 -4.846 -11.012 3.863 1.00 0.00 O ATOM 0 H SER A 24 -4.379 -7.180 3.934 1.00 0.00 H new ATOM 0 HA SER A 24 -5.357 -9.240 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.218 -9.154 3.059 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.523 -9.561 3.247 1.00 0.00 H new ATOM 0 HG SER A 24 -4.853 -11.442 2.982 1.00 0.00 H new ATOM 318 N TYR A 25 -3.405 -10.211 6.834 1.00 0.00 N ATOM 319 CA TYR A 25 -2.290 -10.672 7.653 1.00 0.00 C ATOM 320 C TYR A 25 -1.152 -11.194 6.781 1.00 0.00 C ATOM 321 O TYR A 25 0.022 -10.967 7.073 1.00 0.00 O ATOM 322 CB TYR A 25 -2.756 -11.768 8.613 1.00 0.00 C ATOM 323 CG TYR A 25 -4.175 -11.583 9.102 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.483 -10.614 10.049 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.207 -12.377 8.618 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.777 -10.441 10.499 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.504 -12.210 9.061 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.785 -11.241 10.002 1.00 0.00 C ATOM 329 OH TYR A 25 -8.076 -11.073 10.447 1.00 0.00 O ATOM 0 H TYR A 25 -4.307 -10.616 7.083 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.921 -9.824 8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.676 -12.734 8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.086 -11.796 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.697 -9.985 10.440 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.991 -13.138 7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.999 -9.683 11.236 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.295 -12.835 8.673 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.663 -11.715 9.996 1.00 0.00 H new ATOM 339 N SER A 26 -1.510 -11.894 5.710 1.00 0.00 N ATOM 340 CA SER A 26 -0.520 -12.452 4.796 1.00 0.00 C ATOM 341 C SER A 26 0.279 -11.343 4.118 1.00 0.00 C ATOM 342 O SER A 26 1.372 -11.577 3.603 1.00 0.00 O ATOM 343 CB SER A 26 -1.203 -13.322 3.739 1.00 0.00 C ATOM 344 OG SER A 26 -1.499 -14.609 4.252 1.00 0.00 O ATOM 0 H SER A 26 -2.478 -12.088 5.454 1.00 0.00 H new ATOM 0 HA SER A 26 0.166 -13.069 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.122 -12.840 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.556 -13.415 2.866 1.00 0.00 H new ATOM 0 HG SER A 26 -1.936 -15.145 3.558 1.00 0.00 H new ATOM 350 N ALA A 27 -0.275 -10.135 4.124 1.00 0.00 N ATOM 351 CA ALA A 27 0.386 -8.989 3.512 1.00 0.00 C ATOM 352 C ALA A 27 1.421 -8.384 4.455 1.00 0.00 C ATOM 353 O ALA A 27 1.166 -8.215 5.648 1.00 0.00 O ATOM 354 CB ALA A 27 -0.640 -7.940 3.110 1.00 0.00 C ATOM 0 H ALA A 27 -1.180 -9.925 4.546 1.00 0.00 H new ATOM 0 HA ALA A 27 0.905 -9.335 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.132 -7.090 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.340 -8.371 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.184 -7.606 3.993 1.00 0.00 H new ATOM 360 N THR A 28 2.591 -8.059 3.914 1.00 0.00 N ATOM 361 CA THR A 28 3.665 -7.475 4.707 1.00 0.00 C ATOM 362 C THR A 28 4.291 -6.284 3.991 1.00 0.00 C ATOM 363 O THR A 28 4.049 -6.064 2.805 1.00 0.00 O ATOM 364 CB THR A 28 4.763 -8.510 5.015 1.00 0.00 C ATOM 365 OG1 THR A 28 5.431 -8.890 3.806 1.00 0.00 O ATOM 366 CG2 THR A 28 4.172 -9.743 5.682 1.00 0.00 C ATOM 0 H THR A 28 2.819 -8.191 2.929 1.00 0.00 H new ATOM 0 HA THR A 28 3.220 -7.140 5.644 1.00 0.00 H new ATOM 0 HB THR A 28 5.480 -8.054 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.129 -9.547 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.966 -10.460 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.689 -9.455 6.616 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.437 -10.198 5.019 1.00 0.00 H new ATOM 374 N GLU A 29 5.097 -5.518 4.720 1.00 0.00 N ATOM 375 CA GLU A 29 5.758 -4.349 4.153 1.00 0.00 C ATOM 376 C GLU A 29 6.339 -4.665 2.778 1.00 0.00 C ATOM 377 O GLU A 29 6.512 -3.775 1.947 1.00 0.00 O ATOM 378 CB GLU A 29 6.868 -3.860 5.087 1.00 0.00 C ATOM 379 CG GLU A 29 6.391 -2.864 6.130 1.00 0.00 C ATOM 380 CD GLU A 29 7.229 -2.896 7.394 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.358 -2.363 7.369 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.756 -3.454 8.406 1.00 0.00 O ATOM 0 H GLU A 29 5.308 -5.686 5.704 1.00 0.00 H new ATOM 0 HA GLU A 29 5.013 -3.561 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.310 -4.718 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.656 -3.400 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.417 -1.860 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.352 -3.077 6.382 1.00 0.00 H new ATOM 389 N GLU A 30 6.636 -5.940 2.547 1.00 0.00 N ATOM 390 CA GLU A 30 7.198 -6.374 1.273 1.00 0.00 C ATOM 391 C GLU A 30 6.195 -6.175 0.140 1.00 0.00 C ATOM 392 O GLU A 30 6.553 -5.727 -0.950 1.00 0.00 O ATOM 393 CB GLU A 30 7.614 -7.844 1.348 1.00 0.00 C ATOM 394 CG GLU A 30 9.056 -8.048 1.783 1.00 0.00 C ATOM 395 CD GLU A 30 10.037 -7.907 0.636 1.00 0.00 C ATOM 396 OE1 GLU A 30 10.111 -6.806 0.051 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.730 -8.898 0.323 1.00 0.00 O ATOM 0 H GLU A 30 6.497 -6.690 3.224 1.00 0.00 H new ATOM 0 HA GLU A 30 8.078 -5.765 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.956 -8.364 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.470 -8.304 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.303 -7.323 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.161 -9.038 2.226 1.00 0.00 H new ATOM 404 N THR A 31 4.937 -6.511 0.405 1.00 0.00 N ATOM 405 CA THR A 31 3.882 -6.372 -0.591 1.00 0.00 C ATOM 406 C THR A 31 3.495 -4.909 -0.781 1.00 0.00 C ATOM 407 O THR A 31 3.189 -4.477 -1.893 1.00 0.00 O ATOM 408 CB THR A 31 2.629 -7.176 -0.198 1.00 0.00 C ATOM 409 OG1 THR A 31 2.976 -8.547 0.026 1.00 0.00 O ATOM 410 CG2 THR A 31 1.567 -7.088 -1.284 1.00 0.00 C ATOM 0 H THR A 31 4.623 -6.882 1.302 1.00 0.00 H new ATOM 0 HA THR A 31 4.277 -6.765 -1.528 1.00 0.00 H new ATOM 0 HB THR A 31 2.224 -6.750 0.720 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.174 -9.051 0.277 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.691 -7.664 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.283 -6.046 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.965 -7.491 -2.215 1.00 0.00 H new ATOM 418 N LEU A 32 3.511 -4.152 0.310 1.00 0.00 N ATOM 419 CA LEU A 32 3.163 -2.736 0.264 1.00 0.00 C ATOM 420 C LEU A 32 4.192 -1.948 -0.540 1.00 0.00 C ATOM 421 O LEU A 32 3.836 -1.109 -1.367 1.00 0.00 O ATOM 422 CB LEU A 32 3.062 -2.168 1.681 1.00 0.00 C ATOM 423 CG LEU A 32 2.189 -2.956 2.659 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.251 -2.338 4.047 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.752 -3.016 2.163 1.00 0.00 C ATOM 0 H LEU A 32 3.761 -4.495 1.238 1.00 0.00 H new ATOM 0 HA LEU A 32 2.195 -2.641 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.068 -2.100 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.674 -1.151 1.617 1.00 0.00 H new ATOM 0 HG LEU A 32 2.573 -3.974 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.624 -2.912 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.281 -2.349 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.893 -1.309 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.146 -3.580 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.356 -2.005 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.723 -3.506 1.190 1.00 0.00 H new ATOM 437 N GLN A 33 5.468 -2.225 -0.291 1.00 0.00 N ATOM 438 CA GLN A 33 6.548 -1.543 -0.993 1.00 0.00 C ATOM 439 C GLN A 33 6.352 -1.623 -2.504 1.00 0.00 C ATOM 440 O GLN A 33 6.895 -0.812 -3.253 1.00 0.00 O ATOM 441 CB GLN A 33 7.898 -2.150 -0.609 1.00 0.00 C ATOM 442 CG GLN A 33 8.406 -1.695 0.750 1.00 0.00 C ATOM 443 CD GLN A 33 8.639 -0.199 0.814 1.00 0.00 C ATOM 444 OE1 GLN A 33 8.275 0.456 1.791 1.00 0.00 O ATOM 445 NE2 GLN A 33 9.249 0.351 -0.229 1.00 0.00 N ATOM 0 H GLN A 33 5.779 -2.917 0.391 1.00 0.00 H new ATOM 0 HA GLN A 33 6.533 -0.494 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.812 -3.237 -0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.634 -1.888 -1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.686 -1.980 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.337 -2.214 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.534 -0.230 -1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.433 1.354 -0.242 1.00 0.00 H new ATOM 454 N GLU A 34 5.574 -2.607 -2.943 1.00 0.00 N ATOM 455 CA GLU A 34 5.309 -2.794 -4.365 1.00 0.00 C ATOM 456 C GLU A 34 4.173 -1.887 -4.829 1.00 0.00 C ATOM 457 O GLU A 34 4.236 -1.296 -5.907 1.00 0.00 O ATOM 458 CB GLU A 34 4.960 -4.255 -4.654 1.00 0.00 C ATOM 459 CG GLU A 34 6.046 -5.233 -4.239 1.00 0.00 C ATOM 460 CD GLU A 34 5.872 -6.601 -4.871 1.00 0.00 C ATOM 461 OE1 GLU A 34 5.507 -6.662 -6.064 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.100 -7.610 -4.172 1.00 0.00 O ATOM 0 H GLU A 34 5.116 -3.287 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 34 6.212 -2.529 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.036 -4.509 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.768 -4.370 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.019 -4.829 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.042 -5.335 -3.154 1.00 0.00 H new ATOM 469 N VAL A 35 3.133 -1.782 -4.008 1.00 0.00 N ATOM 470 CA VAL A 35 1.982 -0.948 -4.333 1.00 0.00 C ATOM 471 C VAL A 35 2.349 0.531 -4.298 1.00 0.00 C ATOM 472 O VAL A 35 1.989 1.293 -5.196 1.00 0.00 O ATOM 473 CB VAL A 35 0.814 -1.199 -3.361 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.397 -0.368 -3.755 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.465 -2.679 -3.320 1.00 0.00 C ATOM 0 H VAL A 35 3.064 -2.265 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 35 1.669 -1.219 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 35 1.124 -0.894 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.212 -0.559 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.136 0.690 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.712 -0.639 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.362 -2.839 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.174 -3.012 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.332 -3.248 -2.986 1.00 0.00 H new ATOM 485 N PHE A 36 3.068 0.933 -3.255 1.00 0.00 N ATOM 486 CA PHE A 36 3.484 2.322 -3.102 1.00 0.00 C ATOM 487 C PHE A 36 4.976 2.476 -3.377 1.00 0.00 C ATOM 488 O PHE A 36 5.811 2.095 -2.558 1.00 0.00 O ATOM 489 CB PHE A 36 3.159 2.821 -1.692 1.00 0.00 C ATOM 490 CG PHE A 36 1.738 2.568 -1.279 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.749 3.503 -1.541 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.390 1.394 -0.629 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.560 3.272 -1.161 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.083 1.158 -0.247 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.894 2.098 -0.514 1.00 0.00 C ATOM 0 H PHE A 36 3.375 0.316 -2.503 1.00 0.00 H new ATOM 0 HA PHE A 36 2.935 2.922 -3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.827 2.336 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.359 3.891 -1.639 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.004 4.422 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.149 0.655 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.321 4.009 -1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.175 0.240 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.916 1.915 -0.218 1.00 0.00 H new ATOM 505 N GLU A 37 5.303 3.038 -4.537 1.00 0.00 N ATOM 506 CA GLU A 37 6.695 3.241 -4.921 1.00 0.00 C ATOM 507 C GLU A 37 7.225 4.562 -4.369 1.00 0.00 C ATOM 508 O GLU A 37 8.427 4.724 -4.161 1.00 0.00 O ATOM 509 CB GLU A 37 6.836 3.220 -6.444 1.00 0.00 C ATOM 510 CG GLU A 37 6.517 1.870 -7.066 1.00 0.00 C ATOM 511 CD GLU A 37 6.679 1.869 -8.573 1.00 0.00 C ATOM 512 OE1 GLU A 37 7.817 1.667 -9.047 1.00 0.00 O ATOM 513 OE2 GLU A 37 5.669 2.071 -9.279 1.00 0.00 O ATOM 0 H GLU A 37 4.624 3.360 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 37 7.284 2.427 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.175 3.973 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.855 3.502 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.170 1.112 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.494 1.591 -6.814 1.00 0.00 H new ATOM 520 N LYS A 38 6.317 5.504 -4.134 1.00 0.00 N ATOM 521 CA LYS A 38 6.690 6.811 -3.606 1.00 0.00 C ATOM 522 C LYS A 38 6.777 6.778 -2.084 1.00 0.00 C ATOM 523 O LYS A 38 7.406 7.640 -1.470 1.00 0.00 O ATOM 524 CB LYS A 38 5.677 7.870 -4.047 1.00 0.00 C ATOM 525 CG LYS A 38 5.376 7.842 -5.535 1.00 0.00 C ATOM 526 CD LYS A 38 6.423 8.605 -6.330 1.00 0.00 C ATOM 527 CE LYS A 38 5.869 9.089 -7.661 1.00 0.00 C ATOM 528 NZ LYS A 38 6.724 10.148 -8.265 1.00 0.00 N ATOM 0 H LYS A 38 5.318 5.386 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 38 7.672 7.069 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.749 7.725 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.056 8.857 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.337 6.809 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.393 8.276 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.773 9.458 -5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.287 7.964 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.792 8.248 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.860 9.476 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.313 10.451 -9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.777 10.961 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.680 9.772 -8.427 1.00 0.00 H new ATOM 542 N ALA A 39 6.144 5.777 -1.481 1.00 0.00 N ATOM 543 CA ALA A 39 6.154 5.630 -0.031 1.00 0.00 C ATOM 544 C ALA A 39 7.580 5.589 0.508 1.00 0.00 C ATOM 545 O ALA A 39 8.296 4.603 0.325 1.00 0.00 O ATOM 546 CB ALA A 39 5.397 4.375 0.378 1.00 0.00 C ATOM 0 H ALA A 39 5.618 5.056 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 39 5.656 6.498 0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.413 4.278 1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.365 4.445 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.870 3.502 -0.071 1.00 0.00 H new ATOM 552 N THR A 40 7.989 6.665 1.172 1.00 0.00 N ATOM 553 CA THR A 40 9.330 6.753 1.735 1.00 0.00 C ATOM 554 C THR A 40 9.506 5.775 2.891 1.00 0.00 C ATOM 555 O THR A 40 10.629 5.467 3.291 1.00 0.00 O ATOM 556 CB THR A 40 9.639 8.178 2.232 1.00 0.00 C ATOM 557 OG1 THR A 40 8.802 8.500 3.348 1.00 0.00 O ATOM 558 CG2 THR A 40 9.426 9.196 1.122 1.00 0.00 C ATOM 0 H THR A 40 7.410 7.489 1.333 1.00 0.00 H new ATOM 0 HA THR A 40 10.025 6.496 0.936 1.00 0.00 H new ATOM 0 HB THR A 40 10.684 8.213 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.262 8.265 4.181 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.650 10.195 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.086 8.965 0.285 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.389 9.158 0.788 1.00 0.00 H new ATOM 566 N PHE A 41 8.390 5.288 3.423 1.00 0.00 N ATOM 567 CA PHE A 41 8.421 4.344 4.534 1.00 0.00 C ATOM 568 C PHE A 41 7.066 3.665 4.709 1.00 0.00 C ATOM 569 O PHE A 41 6.020 4.305 4.598 1.00 0.00 O ATOM 570 CB PHE A 41 8.817 5.059 5.827 1.00 0.00 C ATOM 571 CG PHE A 41 9.367 4.137 6.878 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.683 3.706 6.820 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.569 3.701 7.923 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.192 2.857 7.784 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.073 2.852 8.891 1.00 0.00 C ATOM 576 CZ PHE A 41 10.386 2.430 8.822 1.00 0.00 C ATOM 0 H PHE A 41 7.453 5.531 3.103 1.00 0.00 H new ATOM 0 HA PHE A 41 9.164 3.579 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.562 5.821 5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.945 5.576 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.318 4.038 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.541 4.028 7.982 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.219 2.527 7.726 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.440 2.519 9.700 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.782 1.768 9.578 1.00 0.00 H new ATOM 586 N ILE A 42 7.093 2.365 4.981 1.00 0.00 N ATOM 587 CA ILE A 42 5.868 1.599 5.172 1.00 0.00 C ATOM 588 C ILE A 42 5.901 0.828 6.487 1.00 0.00 C ATOM 589 O ILE A 42 6.881 0.151 6.799 1.00 0.00 O ATOM 590 CB ILE A 42 5.637 0.608 4.015 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.423 1.365 2.703 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.447 -0.290 4.316 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.447 0.474 1.481 1.00 0.00 C ATOM 0 H ILE A 42 7.950 1.820 5.074 1.00 0.00 H new ATOM 0 HA ILE A 42 5.048 2.317 5.194 1.00 0.00 H new ATOM 0 HB ILE A 42 6.522 -0.019 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.466 1.885 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.196 2.127 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.297 -0.984 3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.637 -0.851 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.553 0.321 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.289 1.078 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.413 -0.027 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.656 -0.272 1.559 1.00 0.00 H new ATOM 605 N LYS A 43 4.822 0.933 7.256 1.00 0.00 N ATOM 606 CA LYS A 43 4.724 0.244 8.537 1.00 0.00 C ATOM 607 C LYS A 43 3.446 -0.585 8.612 1.00 0.00 C ATOM 608 O LYS A 43 2.363 -0.108 8.273 1.00 0.00 O ATOM 609 CB LYS A 43 4.757 1.254 9.686 1.00 0.00 C ATOM 610 CG LYS A 43 5.103 0.635 11.029 1.00 0.00 C ATOM 611 CD LYS A 43 6.606 0.538 11.228 1.00 0.00 C ATOM 612 CE LYS A 43 6.956 -0.342 12.419 1.00 0.00 C ATOM 613 NZ LYS A 43 8.428 -0.481 12.592 1.00 0.00 N ATOM 0 H LYS A 43 4.002 1.490 7.014 1.00 0.00 H new ATOM 0 HA LYS A 43 5.578 -0.428 8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.486 2.031 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.784 1.741 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.667 1.233 11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.661 -0.359 11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.068 0.133 10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.019 1.535 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.522 0.083 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.511 -1.328 12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.625 -1.088 13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.839 -0.910 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.850 0.457 12.745 1.00 0.00 H new ATOM 627 N VAL A 44 3.579 -1.830 9.059 1.00 0.00 N ATOM 628 CA VAL A 44 2.434 -2.725 9.181 1.00 0.00 C ATOM 629 C VAL A 44 2.412 -3.406 10.545 1.00 0.00 C ATOM 630 O VAL A 44 3.134 -4.372 10.796 1.00 0.00 O ATOM 631 CB VAL A 44 2.445 -3.803 8.081 1.00 0.00 C ATOM 632 CG1 VAL A 44 3.822 -4.440 7.971 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.383 -4.857 8.358 1.00 0.00 C ATOM 0 H VAL A 44 4.468 -2.242 9.343 1.00 0.00 H new ATOM 0 HA VAL A 44 1.539 -2.112 9.070 1.00 0.00 H new ATOM 0 HB VAL A 44 2.214 -3.327 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.810 -5.199 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.558 -3.675 7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.086 -4.903 8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.405 -5.611 7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.582 -5.330 9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.400 -4.386 8.382 1.00 0.00 H new ATOM 643 N PRO A 45 1.564 -2.893 11.449 1.00 0.00 N ATOM 644 CA PRO A 45 1.426 -3.437 12.803 1.00 0.00 C ATOM 645 C PRO A 45 0.760 -4.809 12.812 1.00 0.00 C ATOM 646 O PRO A 45 -0.239 -5.027 12.128 1.00 0.00 O ATOM 647 CB PRO A 45 0.540 -2.409 13.510 1.00 0.00 C ATOM 648 CG PRO A 45 -0.235 -1.761 12.415 1.00 0.00 C ATOM 649 CD PRO A 45 0.674 -1.743 11.218 1.00 0.00 C ATOM 0 HA PRO A 45 2.394 -3.588 13.282 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.121 -2.887 14.234 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.138 -1.680 14.057 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.149 -2.316 12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.533 -0.750 12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.116 -1.847 10.288 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.233 -0.809 11.151 1.00 0.00 H new ATOM 657 N GLN A 46 1.321 -5.729 13.590 1.00 0.00 N ATOM 658 CA GLN A 46 0.781 -7.080 13.686 1.00 0.00 C ATOM 659 C GLN A 46 0.468 -7.439 15.135 1.00 0.00 C ATOM 660 O GLN A 46 0.831 -6.710 16.057 1.00 0.00 O ATOM 661 CB GLN A 46 1.769 -8.090 13.101 1.00 0.00 C ATOM 662 CG GLN A 46 2.277 -7.713 11.719 1.00 0.00 C ATOM 663 CD GLN A 46 2.656 -8.922 10.886 1.00 0.00 C ATOM 664 OE1 GLN A 46 3.166 -9.914 11.408 1.00 0.00 O ATOM 665 NE2 GLN A 46 2.409 -8.846 9.584 1.00 0.00 N ATOM 0 H GLN A 46 2.149 -5.564 14.163 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.146 -7.115 13.113 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.618 -8.188 13.777 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.289 -9.067 13.048 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.508 -7.143 11.197 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.144 -7.060 11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.985 -8.004 9.194 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.643 -9.629 8.974 1.00 0.00 H new ATOM 726 N LYS A 51 0.026 -11.409 12.945 1.00 0.00 N ATOM 727 CA LYS A 51 -1.015 -11.096 11.973 1.00 0.00 C ATOM 728 C LYS A 51 -1.326 -9.603 11.971 1.00 0.00 C ATOM 729 O LYS A 51 -1.609 -9.016 13.015 1.00 0.00 O ATOM 730 CB LYS A 51 -2.286 -11.891 12.283 1.00 0.00 C ATOM 731 CG LYS A 51 -2.227 -13.336 11.818 1.00 0.00 C ATOM 732 CD LYS A 51 -3.354 -14.161 12.417 1.00 0.00 C ATOM 733 CE LYS A 51 -3.167 -15.645 12.139 1.00 0.00 C ATOM 734 NZ LYS A 51 -4.402 -16.423 12.431 1.00 0.00 N ATOM 0 HA LYS A 51 -0.650 -11.375 10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.464 -11.871 13.358 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.136 -11.400 11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.287 -13.372 10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.268 -13.771 12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.396 -13.994 13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.307 -13.830 12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.887 -15.787 11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.345 -16.027 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.234 -17.429 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.656 -16.309 13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.180 -16.075 11.835 1.00 0.00 H new ATOM 748 N SER A 52 -1.273 -8.994 10.790 1.00 0.00 N ATOM 749 CA SER A 52 -1.547 -7.568 10.652 1.00 0.00 C ATOM 750 C SER A 52 -2.834 -7.190 11.378 1.00 0.00 C ATOM 751 O SER A 52 -3.922 -7.636 11.013 1.00 0.00 O ATOM 752 CB SER A 52 -1.651 -7.188 9.174 1.00 0.00 C ATOM 753 OG SER A 52 -0.568 -7.722 8.432 1.00 0.00 O ATOM 0 H SER A 52 -1.043 -9.466 9.915 1.00 0.00 H new ATOM 0 HA SER A 52 -0.721 -7.019 11.104 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.592 -7.557 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.664 -6.103 9.074 1.00 0.00 H new ATOM 0 HG SER A 52 -0.265 -7.062 7.774 1.00 0.00 H new ATOM 759 N LYS A 53 -2.703 -6.362 12.410 1.00 0.00 N ATOM 760 CA LYS A 53 -3.854 -5.921 13.189 1.00 0.00 C ATOM 761 C LYS A 53 -5.050 -5.646 12.283 1.00 0.00 C ATOM 762 O LYS A 53 -6.197 -5.861 12.673 1.00 0.00 O ATOM 763 CB LYS A 53 -3.504 -4.662 13.985 1.00 0.00 C ATOM 764 CG LYS A 53 -2.130 -4.713 14.632 1.00 0.00 C ATOM 765 CD LYS A 53 -2.040 -3.776 15.824 1.00 0.00 C ATOM 766 CE LYS A 53 -2.443 -4.474 17.114 1.00 0.00 C ATOM 767 NZ LYS A 53 -3.037 -3.525 18.096 1.00 0.00 N ATOM 0 H LYS A 53 -1.810 -5.983 12.726 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.121 -6.719 13.882 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.552 -3.798 13.322 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.256 -4.512 14.760 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.915 -5.732 14.952 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.371 -4.443 13.898 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.021 -3.399 15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.685 -2.913 15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.161 -5.263 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.570 -4.954 17.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.298 -4.039 18.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.343 -2.786 18.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.885 -3.086 17.685 1.00 0.00 H new ATOM 781 N GLY A 54 -4.774 -5.172 11.072 1.00 0.00 N ATOM 782 CA GLY A 54 -5.839 -4.877 10.131 1.00 0.00 C ATOM 783 C GLY A 54 -5.647 -3.543 9.437 1.00 0.00 C ATOM 784 O GLY A 54 -6.479 -3.130 8.630 1.00 0.00 O ATOM 0 H GLY A 54 -3.833 -4.987 10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.888 -5.668 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.794 -4.875 10.657 1.00 0.00 H new ATOM 788 N TYR A 55 -4.548 -2.867 9.753 1.00 0.00 N ATOM 789 CA TYR A 55 -4.251 -1.570 9.157 1.00 0.00 C ATOM 790 C TYR A 55 -2.746 -1.374 8.999 1.00 0.00 C ATOM 791 O TYR A 55 -1.950 -2.166 9.502 1.00 0.00 O ATOM 792 CB TYR A 55 -4.835 -0.446 10.015 1.00 0.00 C ATOM 793 CG TYR A 55 -4.465 -0.545 11.477 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.043 -1.506 12.297 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.537 0.323 12.040 1.00 0.00 C ATOM 796 CE1 TYR A 55 -4.708 -1.600 13.634 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.195 0.235 13.375 1.00 0.00 C ATOM 798 CZ TYR A 55 -3.783 -0.728 14.168 1.00 0.00 C ATOM 799 OH TYR A 55 -3.446 -0.817 15.499 1.00 0.00 O ATOM 0 H TYR A 55 -3.848 -3.196 10.418 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.709 -1.540 8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.491 0.512 9.626 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.921 -0.457 9.922 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.767 -2.192 11.882 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.075 1.079 11.423 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.168 -2.352 14.257 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.471 0.917 13.796 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.780 -0.131 15.715 1.00 0.00 H new ATOM 809 N ALA A 56 -2.365 -0.312 8.297 1.00 0.00 N ATOM 810 CA ALA A 56 -0.957 -0.009 8.074 1.00 0.00 C ATOM 811 C ALA A 56 -0.734 1.493 7.933 1.00 0.00 C ATOM 812 O ALA A 56 -1.646 2.234 7.567 1.00 0.00 O ATOM 813 CB ALA A 56 -0.449 -0.738 6.839 1.00 0.00 C ATOM 0 H ALA A 56 -3.012 0.353 7.873 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.395 -0.353 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.604 -0.502 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.564 -1.813 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.023 -0.422 5.968 1.00 0.00 H new ATOM 819 N PHE A 57 0.484 1.936 8.226 1.00 0.00 N ATOM 820 CA PHE A 57 0.827 3.350 8.133 1.00 0.00 C ATOM 821 C PHE A 57 1.841 3.592 7.019 1.00 0.00 C ATOM 822 O PHE A 57 2.983 3.139 7.097 1.00 0.00 O ATOM 823 CB PHE A 57 1.387 3.850 9.466 1.00 0.00 C ATOM 824 CG PHE A 57 0.363 3.905 10.564 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.610 4.891 10.573 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.374 2.971 11.587 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.554 4.944 11.581 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.567 3.018 12.598 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.532 4.007 12.596 1.00 0.00 C ATOM 0 H PHE A 57 1.250 1.336 8.530 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.082 3.904 7.899 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.204 3.198 9.775 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.809 4.845 9.323 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.631 5.627 9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.127 2.197 11.595 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.308 5.717 11.575 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.548 2.283 13.389 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.267 4.047 13.386 1.00 0.00 H new ATOM 839 N ILE A 58 1.415 4.309 5.985 1.00 0.00 N ATOM 840 CA ILE A 58 2.286 4.612 4.856 1.00 0.00 C ATOM 841 C ILE A 58 2.854 6.023 4.963 1.00 0.00 C ATOM 842 O ILE A 58 2.161 6.952 5.375 1.00 0.00 O ATOM 843 CB ILE A 58 1.539 4.472 3.516 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.605 3.261 3.552 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.530 4.350 2.368 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.332 1.942 3.694 1.00 0.00 C ATOM 0 H ILE A 58 0.473 4.691 5.905 1.00 0.00 H new ATOM 0 HA ILE A 58 3.103 3.891 4.885 1.00 0.00 H new ATOM 0 HB ILE A 58 0.937 5.367 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.092 3.374 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.011 3.243 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.987 4.252 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.158 5.240 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.156 3.470 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.608 1.128 3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.009 1.807 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.904 1.940 4.622 1.00 0.00 H new ATOM 858 N GLU A 59 4.121 6.175 4.588 1.00 0.00 N ATOM 859 CA GLU A 59 4.782 7.474 4.641 1.00 0.00 C ATOM 860 C GLU A 59 5.306 7.874 3.265 1.00 0.00 C ATOM 861 O GLU A 59 5.884 7.059 2.547 1.00 0.00 O ATOM 862 CB GLU A 59 5.933 7.443 5.648 1.00 0.00 C ATOM 863 CG GLU A 59 6.206 8.788 6.302 1.00 0.00 C ATOM 864 CD GLU A 59 7.525 8.817 7.049 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.566 8.517 6.425 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.518 9.138 8.255 1.00 0.00 O ATOM 0 H GLU A 59 4.709 5.416 4.245 1.00 0.00 H new ATOM 0 HA GLU A 59 4.049 8.214 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.707 6.711 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.837 7.104 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.208 9.565 5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.396 9.023 6.993 1.00 0.00 H new ATOM 873 N PHE A 60 5.098 9.136 2.904 1.00 0.00 N ATOM 874 CA PHE A 60 5.547 9.646 1.614 1.00 0.00 C ATOM 875 C PHE A 60 6.381 10.912 1.790 1.00 0.00 C ATOM 876 O PHE A 60 6.645 11.343 2.912 1.00 0.00 O ATOM 877 CB PHE A 60 4.347 9.935 0.710 1.00 0.00 C ATOM 878 CG PHE A 60 3.526 8.716 0.395 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.681 8.169 1.347 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.601 8.118 -0.852 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.925 7.048 1.061 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.847 6.997 -1.144 1.00 0.00 C ATOM 883 CZ PHE A 60 2.009 6.461 -0.186 1.00 0.00 C ATOM 0 H PHE A 60 4.621 9.824 3.487 1.00 0.00 H new ATOM 0 HA PHE A 60 6.170 8.883 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.710 10.678 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.702 10.375 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.612 8.624 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.256 8.532 -1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.270 6.632 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.913 6.541 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.420 5.584 -0.412 1.00 0.00 H new ATOM 893 N ALA A 61 6.794 11.501 0.672 1.00 0.00 N ATOM 894 CA ALA A 61 7.597 12.718 0.702 1.00 0.00 C ATOM 895 C ALA A 61 6.779 13.903 1.203 1.00 0.00 C ATOM 896 O ALA A 61 7.300 14.784 1.887 1.00 0.00 O ATOM 897 CB ALA A 61 8.162 13.011 -0.680 1.00 0.00 C ATOM 0 H ALA A 61 6.586 11.155 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 61 8.424 12.562 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.759 13.922 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.789 12.179 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.343 13.142 -1.387 1.00 0.00 H new ATOM 903 N SER A 62 5.495 13.919 0.858 1.00 0.00 N ATOM 904 CA SER A 62 4.606 14.999 1.270 1.00 0.00 C ATOM 905 C SER A 62 3.160 14.682 0.903 1.00 0.00 C ATOM 906 O SER A 62 2.883 13.702 0.211 1.00 0.00 O ATOM 907 CB SER A 62 5.033 16.315 0.617 1.00 0.00 C ATOM 908 OG SER A 62 5.971 17.005 1.425 1.00 0.00 O ATOM 0 H SER A 62 5.047 13.196 0.294 1.00 0.00 H new ATOM 0 HA SER A 62 4.674 15.100 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.469 16.114 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.158 16.944 0.453 1.00 0.00 H new ATOM 0 HG SER A 62 6.746 16.428 1.592 1.00 0.00 H new ATOM 914 N PHE A 63 2.240 15.518 1.374 1.00 0.00 N ATOM 915 CA PHE A 63 0.821 15.327 1.097 1.00 0.00 C ATOM 916 C PHE A 63 0.586 15.072 -0.389 1.00 0.00 C ATOM 917 O PHE A 63 -0.425 14.488 -0.776 1.00 0.00 O ATOM 918 CB PHE A 63 0.023 16.552 1.549 1.00 0.00 C ATOM 919 CG PHE A 63 -1.255 16.750 0.784 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.371 15.977 1.061 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.340 17.710 -0.211 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.547 16.157 0.358 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.514 17.895 -0.918 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.619 17.118 -0.632 1.00 0.00 C ATOM 0 H PHE A 63 2.452 16.334 1.949 1.00 0.00 H new ATOM 0 HA PHE A 63 0.481 14.454 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.209 16.454 2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.644 17.441 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.321 15.225 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.479 18.321 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.409 15.547 0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.566 18.646 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.538 17.261 -1.181 1.00 0.00 H new ATOM 934 N GLU A 64 1.527 15.517 -1.216 1.00 0.00 N ATOM 935 CA GLU A 64 1.422 15.338 -2.659 1.00 0.00 C ATOM 936 C GLU A 64 1.454 13.858 -3.028 1.00 0.00 C ATOM 937 O GLU A 64 0.438 13.281 -3.416 1.00 0.00 O ATOM 938 CB GLU A 64 2.557 16.078 -3.371 1.00 0.00 C ATOM 939 CG GLU A 64 2.220 17.517 -3.721 1.00 0.00 C ATOM 940 CD GLU A 64 0.966 17.634 -4.567 1.00 0.00 C ATOM 941 OE1 GLU A 64 1.011 17.244 -5.752 1.00 0.00 O ATOM 942 OE2 GLU A 64 -0.060 18.116 -4.042 1.00 0.00 O ATOM 0 H GLU A 64 2.370 16.004 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 64 0.468 15.754 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.442 16.065 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.813 15.541 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.089 18.089 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.058 17.962 -4.257 1.00 0.00 H new ATOM 949 N ASP A 65 2.629 13.250 -2.905 1.00 0.00 N ATOM 950 CA ASP A 65 2.795 11.837 -3.225 1.00 0.00 C ATOM 951 C ASP A 65 1.719 10.995 -2.545 1.00 0.00 C ATOM 952 O ASP A 65 1.040 10.199 -3.192 1.00 0.00 O ATOM 953 CB ASP A 65 4.182 11.355 -2.798 1.00 0.00 C ATOM 954 CG ASP A 65 5.253 11.698 -3.814 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.414 10.933 -4.788 1.00 0.00 O ATOM 956 OD2 ASP A 65 5.929 12.733 -3.637 1.00 0.00 O ATOM 0 H ASP A 65 3.480 13.713 -2.586 1.00 0.00 H new ATOM 0 HA ASP A 65 2.694 11.720 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.439 11.803 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.158 10.275 -2.650 1.00 0.00 H new ATOM 961 N ALA A 66 1.571 11.178 -1.237 1.00 0.00 N ATOM 962 CA ALA A 66 0.578 10.437 -0.470 1.00 0.00 C ATOM 963 C ALA A 66 -0.779 10.455 -1.166 1.00 0.00 C ATOM 964 O ALA A 66 -1.455 9.430 -1.258 1.00 0.00 O ATOM 965 CB ALA A 66 0.460 11.010 0.934 1.00 0.00 C ATOM 0 H ALA A 66 2.126 11.833 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 66 0.908 9.401 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.285 10.447 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.424 10.939 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.157 12.055 0.876 1.00 0.00 H new ATOM 971 N LYS A 67 -1.172 11.626 -1.656 1.00 0.00 N ATOM 972 CA LYS A 67 -2.448 11.778 -2.344 1.00 0.00 C ATOM 973 C LYS A 67 -2.428 11.063 -3.692 1.00 0.00 C ATOM 974 O LYS A 67 -3.427 10.479 -4.109 1.00 0.00 O ATOM 975 CB LYS A 67 -2.768 13.261 -2.547 1.00 0.00 C ATOM 976 CG LYS A 67 -4.048 13.507 -3.327 1.00 0.00 C ATOM 977 CD LYS A 67 -5.278 13.259 -2.471 1.00 0.00 C ATOM 978 CE LYS A 67 -5.656 14.494 -1.667 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.437 15.467 -2.480 1.00 0.00 N ATOM 0 H LYS A 67 -0.624 12.484 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.222 11.327 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.848 13.743 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.937 13.735 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.060 14.533 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.074 12.855 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.113 12.969 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.089 12.426 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.241 14.196 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.752 14.975 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.675 16.294 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.870 15.771 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.312 15.016 -2.815 1.00 0.00 H new ATOM 993 N GLU A 68 -1.283 11.113 -4.366 1.00 0.00 N ATOM 994 CA GLU A 68 -1.135 10.469 -5.666 1.00 0.00 C ATOM 995 C GLU A 68 -1.431 8.975 -5.569 1.00 0.00 C ATOM 996 O GLU A 68 -2.109 8.409 -6.426 1.00 0.00 O ATOM 997 CB GLU A 68 0.280 10.686 -6.208 1.00 0.00 C ATOM 998 CG GLU A 68 0.627 9.782 -7.380 1.00 0.00 C ATOM 999 CD GLU A 68 -0.017 10.234 -8.676 1.00 0.00 C ATOM 1000 OE1 GLU A 68 0.279 11.362 -9.125 1.00 0.00 O ATOM 1001 OE2 GLU A 68 -0.817 9.460 -9.242 1.00 0.00 O ATOM 0 H GLU A 68 -0.446 11.592 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.852 10.920 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.386 11.726 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.998 10.518 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.709 9.756 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.308 8.764 -7.156 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.916 8.342 -4.520 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.126 6.915 -4.310 1.00 0.00 C ATOM 1010 C ALA A 69 -2.464 6.651 -3.628 1.00 0.00 C ATOM 1011 O ALA A 69 -3.116 5.639 -3.888 1.00 0.00 O ATOM 1012 CB ALA A 69 0.012 6.329 -3.488 1.00 0.00 C ATOM 0 H ALA A 69 -0.350 8.795 -3.802 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.143 6.429 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.158 5.263 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.955 6.476 -4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.056 6.828 -2.520 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.869 7.567 -2.755 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.130 7.433 -2.035 1.00 0.00 C ATOM 1020 C LEU A 70 -5.314 7.484 -2.995 1.00 0.00 C ATOM 1021 O LEU A 70 -6.375 6.928 -2.717 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.261 8.540 -0.986 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.687 8.966 -0.636 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.420 7.841 0.078 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.672 10.224 0.221 1.00 0.00 C ATOM 0 H LEU A 70 -2.342 8.411 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.133 6.464 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.768 8.208 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.718 9.416 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.218 9.187 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.433 8.162 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.462 6.965 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.891 7.588 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.695 10.513 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.124 10.030 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.186 11.031 -0.326 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.122 8.153 -4.128 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.174 8.275 -5.131 1.00 0.00 C ATOM 1039 C ASN A 71 -6.180 7.066 -6.061 1.00 0.00 C ATOM 1040 O ASN A 71 -7.228 6.668 -6.572 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.986 9.557 -5.944 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.497 10.784 -5.214 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.454 10.709 -4.443 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.858 11.924 -5.454 1.00 0.00 N ATOM 0 H ASN A 71 -4.248 8.618 -4.374 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.132 8.319 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.928 9.688 -6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.508 9.460 -6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.156 12.783 -4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.069 11.940 -6.101 1.00 0.00 H new ATOM 1051 N SER A 72 -5.004 6.485 -6.276 1.00 0.00 N ATOM 1052 CA SER A 72 -4.873 5.323 -7.148 1.00 0.00 C ATOM 1053 C SER A 72 -4.978 4.029 -6.347 1.00 0.00 C ATOM 1054 O SER A 72 -5.936 3.269 -6.495 1.00 0.00 O ATOM 1055 CB SER A 72 -3.540 5.368 -7.896 1.00 0.00 C ATOM 1056 OG SER A 72 -2.480 5.729 -7.027 1.00 0.00 O ATOM 0 H SER A 72 -4.128 6.800 -5.858 1.00 0.00 H new ATOM 0 HA SER A 72 -5.688 5.348 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.335 4.394 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.603 6.084 -8.715 1.00 0.00 H new ATOM 0 HG SER A 72 -2.451 6.704 -6.934 1.00 0.00 H new ATOM 1062 N CYS A 73 -3.985 3.784 -5.498 1.00 0.00 N ATOM 1063 CA CYS A 73 -3.963 2.582 -4.674 1.00 0.00 C ATOM 1064 C CYS A 73 -5.310 2.365 -3.992 1.00 0.00 C ATOM 1065 O CYS A 73 -5.669 1.240 -3.647 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.856 2.679 -3.623 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.218 3.026 -4.307 1.00 0.00 S ATOM 0 H CYS A 73 -3.185 4.402 -5.363 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.764 1.730 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.114 3.462 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.815 1.743 -3.066 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.372 3.208 -3.337 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.052 3.451 -3.800 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.359 3.381 -3.157 1.00 0.00 C ATOM 1075 C ASN A 74 -8.071 2.080 -3.514 1.00 0.00 C ATOM 1076 O ASN A 74 -8.262 1.766 -4.690 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.219 4.577 -3.571 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.203 4.982 -2.490 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.400 5.117 -2.745 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.702 5.179 -1.277 1.00 0.00 N ATOM 0 H ASN A 74 -5.770 4.390 -4.081 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.208 3.408 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.572 5.423 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.765 4.331 -4.482 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.316 5.454 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.703 5.055 -1.112 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.463 1.326 -2.493 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.157 0.060 -2.697 1.00 0.00 C ATOM 1089 C LYS A 75 -8.303 -0.902 -3.516 1.00 0.00 C ATOM 1090 O LYS A 75 -8.754 -1.441 -4.527 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.496 0.296 -3.400 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.364 1.340 -2.720 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.276 0.715 -1.678 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.780 1.751 -0.685 1.00 0.00 C ATOM 1095 NZ LYS A 75 -13.844 2.612 -1.272 1.00 0.00 N ATOM 0 H LYS A 75 -8.312 1.570 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.341 -0.387 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.308 0.606 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.043 -0.645 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.730 2.090 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.965 1.857 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.124 0.241 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.738 -0.069 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.168 1.247 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.948 2.375 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.160 3.304 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.467 3.113 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.649 2.020 -1.561 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.067 -1.114 -3.074 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.151 -2.011 -3.767 1.00 0.00 C ATOM 1111 C ARG A 76 -6.327 -3.447 -3.283 1.00 0.00 C ATOM 1112 O ARG A 76 -6.105 -3.749 -2.111 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.704 -1.563 -3.551 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.676 -2.592 -3.991 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.543 -2.635 -5.506 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.313 -3.298 -5.929 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.040 -3.603 -7.193 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.905 -3.305 -8.152 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.898 -4.206 -7.499 1.00 0.00 N ATOM 0 H ARG A 76 -6.678 -0.676 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.381 -1.973 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.534 -0.635 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.555 -1.342 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.709 -2.355 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.964 -3.576 -3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.401 -3.157 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.561 -1.619 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.626 -3.540 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.783 -2.840 -7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.693 -3.540 -9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.229 -4.436 -6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.689 -4.440 -8.470 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.728 -4.328 -4.194 1.00 0.00 N ATOM 1134 CA GLU A 77 -6.934 -5.733 -3.859 1.00 0.00 C ATOM 1135 C GLU A 77 -5.604 -6.430 -3.591 1.00 0.00 C ATOM 1136 O GLU A 77 -4.845 -6.718 -4.517 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.677 -6.446 -4.991 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.190 -6.384 -4.860 1.00 0.00 C ATOM 1139 CD GLU A 77 -9.899 -6.575 -6.186 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -9.993 -7.733 -6.646 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.359 -5.569 -6.765 1.00 0.00 O ATOM 0 H GLU A 77 -6.917 -4.094 -5.169 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.537 -5.779 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.385 -6.002 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.366 -7.490 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.522 -7.152 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.475 -5.421 -4.435 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.328 -6.697 -2.319 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.090 -7.360 -1.929 1.00 0.00 C ATOM 1150 C ILE A 78 -4.374 -8.666 -1.195 1.00 0.00 C ATOM 1151 O ILE A 78 -5.076 -8.682 -0.185 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.227 -6.456 -1.029 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.917 -5.138 -1.740 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.941 -7.170 -0.640 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.007 -4.224 -0.950 1.00 0.00 C ATOM 0 H ILE A 78 -5.945 -6.464 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.543 -7.573 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.786 -6.233 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.454 -5.354 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.852 -4.617 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.341 -6.519 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.182 -8.085 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.377 -7.419 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.831 -3.309 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.477 -3.977 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.057 -4.726 -0.767 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.822 -9.760 -1.711 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.016 -11.072 -1.103 1.00 0.00 C ATOM 1169 C GLU A 79 -5.497 -11.437 -1.059 1.00 0.00 C ATOM 1170 O GLU A 79 -5.950 -12.124 -0.144 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.430 -11.095 0.310 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.914 -11.009 0.342 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.246 -12.292 -0.113 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.453 -12.688 -1.278 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.516 -12.900 0.698 1.00 0.00 O ATOM 0 H GLU A 79 -3.238 -9.764 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.497 -11.809 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.845 -10.263 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.744 -12.012 0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.587 -10.188 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.589 -10.774 1.355 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.246 -10.972 -2.054 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.667 -11.258 -2.109 1.00 0.00 C ATOM 1184 C GLY A 80 -8.465 -10.427 -1.125 1.00 0.00 C ATOM 1185 O GLY A 80 -9.569 -10.806 -0.733 1.00 0.00 O ATOM 0 H GLY A 80 -5.894 -10.402 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.033 -11.071 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.830 -12.316 -1.902 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.906 -9.290 -0.723 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.572 -8.404 0.224 1.00 0.00 C ATOM 1191 C ARG A 81 -8.374 -6.943 -0.167 1.00 0.00 C ATOM 1192 O ARG A 81 -7.248 -6.449 -0.213 1.00 0.00 O ATOM 1193 CB ARG A 81 -8.039 -8.641 1.638 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.679 -9.829 2.339 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.322 -9.862 3.817 1.00 0.00 C ATOM 1196 NE ARG A 81 -9.353 -10.520 4.614 1.00 0.00 N ATOM 1197 CZ ARG A 81 -9.158 -10.954 5.855 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -7.977 -10.799 6.437 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -10.146 -11.544 6.516 1.00 0.00 N ATOM 0 H ARG A 81 -6.994 -8.961 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.639 -8.627 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.961 -8.796 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.206 -7.744 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.762 -9.779 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.351 -10.753 1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.374 -10.383 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.179 -8.844 4.178 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.273 -10.654 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.215 -10.346 5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.830 -11.133 7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.056 -11.665 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.995 -11.877 7.468 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.477 -6.256 -0.449 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.425 -4.852 -0.835 1.00 0.00 C ATOM 1215 C ALA A 82 -8.887 -3.990 0.303 1.00 0.00 C ATOM 1216 O ALA A 82 -9.347 -4.090 1.440 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.804 -4.369 -1.258 1.00 0.00 C ATOM 0 H ALA A 82 -10.417 -6.650 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.744 -4.758 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.750 -3.318 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.151 -4.958 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.500 -4.484 -0.427 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.911 -3.145 -0.013 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.312 -2.265 0.983 1.00 0.00 C ATOM 1225 C ILE A 83 -7.646 -0.805 0.699 1.00 0.00 C ATOM 1226 O ILE A 83 -7.433 -0.313 -0.409 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.781 -2.430 1.032 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.138 -1.782 -0.196 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.410 -3.903 1.116 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.790 -0.323 0.004 1.00 0.00 C ATOM 0 H ILE A 83 -7.519 -3.051 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.731 -2.550 1.948 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.404 -1.929 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.233 -2.331 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.818 -1.872 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.325 -4.004 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.843 -4.336 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.796 -4.426 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.338 0.071 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.696 0.239 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.085 -0.227 0.830 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.169 -0.116 1.709 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.531 1.289 1.568 1.00 0.00 C ATOM 1244 C ARG A 84 -7.490 2.188 2.227 1.00 0.00 C ATOM 1245 O ARG A 84 -6.844 1.798 3.201 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.907 1.547 2.185 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.436 2.949 1.930 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.914 3.058 2.272 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.447 4.385 1.979 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.745 4.651 1.886 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.638 3.687 2.063 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -14.153 5.885 1.616 1.00 0.00 N ATOM 0 H ARG A 84 -8.351 -0.508 2.633 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.567 1.524 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.616 0.822 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.851 1.379 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.870 3.666 2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.283 3.212 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.473 2.311 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.059 2.834 3.329 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.787 5.150 1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.329 2.738 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.634 3.895 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.470 6.630 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.150 6.088 1.545 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.330 3.393 1.690 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.366 4.348 2.225 1.00 0.00 C ATOM 1268 C LEU A 85 -7.052 5.655 2.609 1.00 0.00 C ATOM 1269 O LEU A 85 -7.915 6.150 1.886 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.264 4.619 1.199 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.480 3.398 0.719 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -3.961 3.619 -0.694 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.330 3.094 1.669 1.00 0.00 C ATOM 0 H LEU A 85 -7.856 3.732 0.884 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.921 3.915 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.714 5.101 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.561 5.331 1.630 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.152 2.540 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.405 2.739 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.801 3.787 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.304 4.489 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.783 2.222 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.658 3.951 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.724 2.892 2.665 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.658 6.210 3.752 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.234 7.461 4.231 1.00 0.00 C ATOM 1287 C GLU A 86 -6.169 8.334 4.888 1.00 0.00 C ATOM 1288 O GLU A 86 -5.357 7.852 5.679 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.364 7.181 5.224 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.730 7.050 4.571 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.865 7.127 5.573 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.734 6.535 6.665 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.884 7.780 5.265 1.00 0.00 O ATOM 0 H GLU A 86 -5.943 5.813 4.362 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.639 7.997 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.140 6.262 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.398 7.985 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.851 7.839 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.784 6.101 4.038 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.178 9.620 4.555 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.213 10.561 5.112 1.00 0.00 C ATOM 1302 C LEU A 87 -5.336 10.633 6.630 1.00 0.00 C ATOM 1303 O LEU A 87 -6.428 10.826 7.165 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.418 11.951 4.506 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.972 12.122 3.053 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.196 13.553 2.591 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.510 11.731 2.894 1.00 0.00 C ATOM 0 H LEU A 87 -6.843 10.035 3.902 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.213 10.207 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.477 12.202 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.880 12.675 5.118 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.574 11.462 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.873 13.656 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.255 13.798 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.621 14.233 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.210 11.859 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.893 12.365 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.379 10.688 3.184 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.209 10.479 7.318 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.192 10.529 8.776 1.00 0.00 C ATOM 1321 C GLN A 88 -4.249 11.969 9.272 1.00 0.00 C ATOM 1322 O GLN A 88 -3.516 12.832 8.792 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.937 9.840 9.315 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.112 9.263 10.711 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.791 9.040 11.420 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.522 9.642 12.460 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -0.957 8.172 10.859 1.00 0.00 N ATOM 0 H GLN A 88 -3.297 10.319 6.890 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.073 10.003 9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.651 9.039 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.116 10.557 9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.729 9.938 11.304 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.648 8.317 10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.221 7.695 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.053 7.982 11.291 1.00 0.00 H new