USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 559 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 42 SER OG : rot -159:sc= 1.28 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -1.31! C(o=-0.027!,f=-8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0419) USER MOD Single : A 22 MET CE :methyl -164:sc= -0.0922 (180deg=-0.513) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0.352) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.39 K(o=-1.3,f=-3.3) USER MOD Single : A 29 CYS SG : rot -160:sc= -2.67! USER MOD Single : A 32 LYS NZ :NH3+ -172:sc=-0.00752 (180deg=-0.0811) USER MOD Single : A 33 MET CE :methyl 154:sc= -1.49 (180deg=-2.4!) USER MOD Single : A 37 THR OG1 : rot -173:sc= -0.357 USER MOD Single : A 38 THR OG1 : rot -89:sc= 0.375 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0157) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.42) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.8!) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 1.11 (180deg=0.83) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0314 (180deg=-0.286) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0586) USER MOD Single : A 65 TYR OH : rot 165:sc= 0.555 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.325 K(o=-0.32,f=-1.8!) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 1.023 5.315 5.842 1.00 25.31 N ATOM 177 CA ILE A 12 -0.125 6.035 5.360 1.00 43.21 C ATOM 178 C ILE A 12 -1.334 5.475 6.048 1.00 33.34 C ATOM 179 O ILE A 12 -1.303 4.347 6.479 1.00 51.34 O ATOM 180 CB ILE A 12 -0.258 5.815 3.831 1.00 53.25 C ATOM 181 CG1 ILE A 12 1.051 6.182 3.152 1.00 50.01 C ATOM 182 CG2 ILE A 12 -1.390 6.666 3.247 1.00 25.30 C ATOM 183 CD1 ILE A 12 1.100 5.802 1.721 1.00 24.32 C ATOM 0 HA ILE A 12 -0.026 7.102 5.562 1.00 43.21 H new ATOM 0 HB ILE A 12 -0.491 4.765 3.654 1.00 53.25 H new ATOM 0 HG12 ILE A 12 1.208 7.257 3.240 1.00 50.01 H new ATOM 0 HG13 ILE A 12 1.873 5.696 3.677 1.00 50.01 H new ATOM 0 HG21 ILE A 12 -1.460 6.491 2.173 1.00 25.30 H new ATOM 0 HG22 ILE A 12 -2.333 6.393 3.721 1.00 25.30 H new ATOM 0 HG23 ILE A 12 -1.184 7.721 3.430 1.00 25.30 H new ATOM 0 HD11 ILE A 12 2.062 6.094 1.300 1.00 24.32 H new ATOM 0 HD12 ILE A 12 0.974 4.723 1.626 1.00 24.32 H new ATOM 0 HD13 ILE A 12 0.300 6.309 1.182 1.00 24.32 H new ATOM 195 N ARG A 13 -2.331 6.265 6.268 1.00 63.31 N ATOM 196 CA ARG A 13 -3.546 5.729 6.816 1.00 11.51 C ATOM 197 C ARG A 13 -4.391 5.119 5.722 1.00 30.41 C ATOM 198 O ARG A 13 -4.344 5.554 4.565 1.00 40.44 O ATOM 199 CB ARG A 13 -4.335 6.761 7.567 1.00 5.52 C ATOM 200 CG ARG A 13 -4.806 7.947 6.729 1.00 21.32 C ATOM 201 CD ARG A 13 -5.549 8.959 7.574 1.00 25.44 C ATOM 202 NE ARG A 13 -6.006 10.115 6.787 1.00 4.12 N ATOM 203 CZ ARG A 13 -6.654 11.179 7.294 1.00 53.53 C ATOM 204 NH1 ARG A 13 -6.905 11.259 8.598 1.00 55.10 N ATOM 205 NH2 ARG A 13 -7.033 12.163 6.490 1.00 4.44 N ATOM 0 H ARG A 13 -2.337 7.268 6.083 1.00 63.31 H new ATOM 0 HA ARG A 13 -3.264 4.954 7.529 1.00 11.51 H new ATOM 0 HB2 ARG A 13 -5.207 6.279 8.010 1.00 5.52 H new ATOM 0 HB3 ARG A 13 -3.725 7.135 8.389 1.00 5.52 H new ATOM 0 HG2 ARG A 13 -3.948 8.425 6.257 1.00 21.32 H new ATOM 0 HG3 ARG A 13 -5.455 7.594 5.927 1.00 21.32 H new ATOM 0 HD2 ARG A 13 -6.408 8.478 8.042 1.00 25.44 H new ATOM 0 HD3 ARG A 13 -4.900 9.304 8.379 1.00 25.44 H new ATOM 0 HE ARG A 13 -5.818 10.109 5.785 1.00 4.12 H new ATOM 0 HH11 ARG A 13 -6.605 10.510 9.222 1.00 55.10 H new ATOM 0 HH12 ARG A 13 -7.397 12.070 8.974 1.00 55.10 H new ATOM 0 HH21 ARG A 13 -6.833 12.111 5.491 1.00 4.44 H new ATOM 0 HH22 ARG A 13 -7.525 12.972 6.870 1.00 4.44 H new ATOM 219 N TYR A 14 -5.188 4.151 6.096 1.00 44.13 N ATOM 220 CA TYR A 14 -6.024 3.406 5.165 1.00 41.41 C ATOM 221 C TYR A 14 -7.030 4.334 4.502 1.00 75.33 C ATOM 222 O TYR A 14 -7.392 4.161 3.332 1.00 54.12 O ATOM 223 CB TYR A 14 -6.765 2.302 5.922 1.00 13.14 C ATOM 224 CG TYR A 14 -5.851 1.426 6.739 1.00 44.51 C ATOM 225 CD1 TYR A 14 -5.142 0.400 6.151 1.00 44.13 C ATOM 226 CD2 TYR A 14 -5.681 1.646 8.102 1.00 64.30 C ATOM 227 CE1 TYR A 14 -4.297 -0.388 6.892 1.00 62.05 C ATOM 228 CE2 TYR A 14 -4.832 0.862 8.849 1.00 45.14 C ATOM 229 CZ TYR A 14 -4.141 -0.155 8.239 1.00 11.31 C ATOM 230 OH TYR A 14 -3.284 -0.942 8.977 1.00 35.14 O ATOM 0 H TYR A 14 -5.282 3.848 7.065 1.00 44.13 H new ATOM 0 HA TYR A 14 -5.393 2.964 4.394 1.00 41.41 H new ATOM 0 HB2 TYR A 14 -7.506 2.756 6.580 1.00 13.14 H new ATOM 0 HB3 TYR A 14 -7.309 1.683 5.208 1.00 13.14 H new ATOM 0 HD1 TYR A 14 -5.253 0.214 5.093 1.00 44.13 H new ATOM 0 HD2 TYR A 14 -6.225 2.446 8.582 1.00 64.30 H new ATOM 0 HE1 TYR A 14 -3.754 -1.192 6.417 1.00 62.05 H new ATOM 0 HE2 TYR A 14 -4.710 1.045 9.906 1.00 45.14 H new ATOM 0 HH TYR A 14 -3.289 -0.645 9.911 1.00 35.14 H new ATOM 240 N SER A 15 -7.432 5.347 5.239 1.00 5.35 N ATOM 241 CA SER A 15 -8.415 6.310 4.786 1.00 5.34 C ATOM 242 C SER A 15 -7.881 7.173 3.639 1.00 64.14 C ATOM 243 O SER A 15 -8.658 7.738 2.855 1.00 61.10 O ATOM 244 CB SER A 15 -8.815 7.192 5.947 1.00 41.14 C ATOM 245 OG SER A 15 -9.235 6.405 7.050 1.00 10.43 O ATOM 0 H SER A 15 -7.082 5.528 6.180 1.00 5.35 H new ATOM 0 HA SER A 15 -9.280 5.763 4.410 1.00 5.34 H new ATOM 0 HB2 SER A 15 -7.974 7.820 6.241 1.00 41.14 H new ATOM 0 HB3 SER A 15 -9.620 7.860 5.642 1.00 41.14 H new ATOM 0 HG SER A 15 -9.489 6.992 7.793 1.00 10.43 H new ATOM 251 N ASP A 16 -6.578 7.267 3.527 1.00 63.13 N ATOM 252 CA ASP A 16 -5.993 8.073 2.481 1.00 61.20 C ATOM 253 C ASP A 16 -5.718 7.208 1.281 1.00 33.10 C ATOM 254 O ASP A 16 -5.720 7.674 0.158 1.00 43.42 O ATOM 255 CB ASP A 16 -4.702 8.756 2.953 1.00 73.24 C ATOM 256 CG ASP A 16 -4.161 9.759 1.936 1.00 62.14 C ATOM 257 OD1 ASP A 16 -4.657 10.914 1.900 1.00 35.51 O ATOM 258 OD2 ASP A 16 -3.264 9.424 1.176 1.00 54.44 O ATOM 0 H ASP A 16 -5.908 6.801 4.139 1.00 63.13 H new ATOM 0 HA ASP A 16 -6.700 8.859 2.214 1.00 61.20 H new ATOM 0 HB2 ASP A 16 -4.890 9.267 3.897 1.00 73.24 H new ATOM 0 HB3 ASP A 16 -3.944 7.997 3.147 1.00 73.24 H new ATOM 263 N VAL A 17 -5.576 5.923 1.508 1.00 71.11 N ATOM 264 CA VAL A 17 -5.214 5.041 0.421 1.00 21.52 C ATOM 265 C VAL A 17 -6.411 4.793 -0.477 1.00 31.15 C ATOM 266 O VAL A 17 -7.449 4.275 -0.050 1.00 1.14 O ATOM 267 CB VAL A 17 -4.646 3.693 0.904 1.00 3.34 C ATOM 268 CG1 VAL A 17 -4.204 2.837 -0.274 1.00 63.15 C ATOM 269 CG2 VAL A 17 -3.516 3.888 1.892 1.00 63.30 C ATOM 0 H VAL A 17 -5.702 5.472 2.414 1.00 71.11 H new ATOM 0 HA VAL A 17 -4.424 5.545 -0.136 1.00 21.52 H new ATOM 0 HB VAL A 17 -5.445 3.165 1.424 1.00 3.34 H new ATOM 0 HG11 VAL A 17 -3.807 1.891 0.093 1.00 63.15 H new ATOM 0 HG12 VAL A 17 -5.057 2.645 -0.924 1.00 63.15 H new ATOM 0 HG13 VAL A 17 -3.431 3.362 -0.835 1.00 63.15 H new ATOM 0 HG21 VAL A 17 -3.140 2.916 2.211 1.00 63.30 H new ATOM 0 HG22 VAL A 17 -2.712 4.451 1.418 1.00 63.30 H new ATOM 0 HG23 VAL A 17 -3.882 4.438 2.759 1.00 63.30 H new ATOM 279 N LYS A 18 -6.240 5.136 -1.707 1.00 0.55 N ATOM 280 CA LYS A 18 -7.273 5.022 -2.704 1.00 72.20 C ATOM 281 C LYS A 18 -7.224 3.680 -3.377 1.00 50.32 C ATOM 282 O LYS A 18 -8.245 3.107 -3.734 1.00 34.41 O ATOM 283 CB LYS A 18 -7.063 6.102 -3.749 1.00 62.43 C ATOM 284 CG LYS A 18 -7.262 7.515 -3.234 1.00 74.34 C ATOM 285 CD LYS A 18 -6.872 8.565 -4.269 1.00 21.11 C ATOM 286 CE LYS A 18 -7.684 8.472 -5.548 1.00 72.13 C ATOM 287 NZ LYS A 18 -7.269 9.505 -6.520 1.00 73.41 N ATOM 0 H LYS A 18 -5.363 5.513 -2.066 1.00 0.55 H new ATOM 0 HA LYS A 18 -8.243 5.134 -2.219 1.00 72.20 H new ATOM 0 HB2 LYS A 18 -6.053 6.012 -4.149 1.00 62.43 H new ATOM 0 HB3 LYS A 18 -7.751 5.929 -4.577 1.00 62.43 H new ATOM 0 HG2 LYS A 18 -8.306 7.654 -2.953 1.00 74.34 H new ATOM 0 HG3 LYS A 18 -6.668 7.658 -2.332 1.00 74.34 H new ATOM 0 HD2 LYS A 18 -6.999 9.557 -3.836 1.00 21.11 H new ATOM 0 HD3 LYS A 18 -5.814 8.455 -4.509 1.00 21.11 H new ATOM 0 HE2 LYS A 18 -7.561 7.483 -5.989 1.00 72.13 H new ATOM 0 HE3 LYS A 18 -8.743 8.589 -5.319 1.00 72.13 H new ATOM 0 HZ1 LYS A 18 -7.841 9.418 -7.384 1.00 73.41 H new ATOM 0 HZ2 LYS A 18 -7.410 10.448 -6.105 1.00 73.41 H new ATOM 0 HZ3 LYS A 18 -6.264 9.377 -6.755 1.00 73.41 H new ATOM 301 N LYS A 19 -6.045 3.168 -3.510 1.00 33.24 N ATOM 302 CA LYS A 19 -5.835 1.972 -4.270 1.00 10.14 C ATOM 303 C LYS A 19 -4.675 1.193 -3.704 1.00 1.41 C ATOM 304 O LYS A 19 -3.667 1.785 -3.286 1.00 13.33 O ATOM 305 CB LYS A 19 -5.526 2.340 -5.718 1.00 75.13 C ATOM 306 CG LYS A 19 -5.377 1.152 -6.628 1.00 23.44 C ATOM 307 CD LYS A 19 -4.952 1.553 -8.040 1.00 10.03 C ATOM 308 CE LYS A 19 -5.948 2.489 -8.717 1.00 30.03 C ATOM 309 NZ LYS A 19 -7.287 1.877 -8.870 1.00 73.00 N ATOM 0 H LYS A 19 -5.200 3.563 -3.098 1.00 33.24 H new ATOM 0 HA LYS A 19 -6.736 1.361 -4.223 1.00 10.14 H new ATOM 0 HB2 LYS A 19 -6.322 2.980 -6.098 1.00 75.13 H new ATOM 0 HB3 LYS A 19 -4.607 2.925 -5.746 1.00 75.13 H new ATOM 0 HG2 LYS A 19 -4.640 0.467 -6.210 1.00 23.44 H new ATOM 0 HG3 LYS A 19 -6.323 0.612 -6.675 1.00 23.44 H new ATOM 0 HD2 LYS A 19 -3.977 2.038 -7.996 1.00 10.03 H new ATOM 0 HD3 LYS A 19 -4.834 0.655 -8.647 1.00 10.03 H new ATOM 0 HE2 LYS A 19 -6.035 3.405 -8.133 1.00 30.03 H new ATOM 0 HE3 LYS A 19 -5.567 2.772 -9.698 1.00 30.03 H new ATOM 0 HZ1 LYS A 19 -7.902 2.519 -9.410 1.00 73.00 H new ATOM 0 HZ2 LYS A 19 -7.200 0.973 -9.377 1.00 73.00 H new ATOM 0 HZ3 LYS A 19 -7.701 1.709 -7.931 1.00 73.00 H new ATOM 323 N LEU A 20 -4.824 -0.102 -3.690 1.00 12.42 N ATOM 324 CA LEU A 20 -3.809 -1.016 -3.248 1.00 0.13 C ATOM 325 C LEU A 20 -3.579 -2.056 -4.316 1.00 60.45 C ATOM 326 O LEU A 20 -4.513 -2.759 -4.710 1.00 35.04 O ATOM 327 CB LEU A 20 -4.261 -1.703 -1.950 1.00 4.13 C ATOM 328 CG LEU A 20 -3.400 -2.869 -1.447 1.00 54.24 C ATOM 329 CD1 LEU A 20 -1.979 -2.432 -1.211 1.00 23.31 C ATOM 330 CD2 LEU A 20 -3.997 -3.470 -0.181 1.00 3.32 C ATOM 0 H LEU A 20 -5.681 -0.564 -3.995 1.00 12.42 H new ATOM 0 HA LEU A 20 -2.884 -0.471 -3.061 1.00 0.13 H new ATOM 0 HB2 LEU A 20 -4.304 -0.949 -1.164 1.00 4.13 H new ATOM 0 HB3 LEU A 20 -5.277 -2.070 -2.096 1.00 4.13 H new ATOM 0 HG LEU A 20 -3.389 -3.637 -2.220 1.00 54.24 H new ATOM 0 HD11 LEU A 20 -1.392 -3.279 -0.855 1.00 23.31 H new ATOM 0 HD12 LEU A 20 -1.553 -2.061 -2.143 1.00 23.31 H new ATOM 0 HD13 LEU A 20 -1.962 -1.639 -0.464 1.00 23.31 H new ATOM 0 HD21 LEU A 20 -3.372 -4.295 0.160 1.00 3.32 H new ATOM 0 HD22 LEU A 20 -4.046 -2.707 0.596 1.00 3.32 H new ATOM 0 HD23 LEU A 20 -5.001 -3.838 -0.392 1.00 3.32 H new ATOM 342 N GLU A 21 -2.369 -2.163 -4.787 1.00 71.25 N ATOM 343 CA GLU A 21 -2.049 -3.173 -5.761 1.00 5.32 C ATOM 344 C GLU A 21 -0.820 -3.886 -5.349 1.00 52.24 C ATOM 345 O GLU A 21 0.165 -3.250 -5.004 1.00 74.11 O ATOM 346 CB GLU A 21 -1.772 -2.583 -7.139 1.00 3.40 C ATOM 347 CG GLU A 21 -2.916 -1.899 -7.831 1.00 32.23 C ATOM 348 CD GLU A 21 -2.490 -1.438 -9.194 1.00 73.01 C ATOM 349 OE1 GLU A 21 -2.253 -2.302 -10.073 1.00 53.43 O ATOM 350 OE2 GLU A 21 -2.324 -0.233 -9.402 1.00 1.41 O ATOM 0 H GLU A 21 -1.588 -1.566 -4.515 1.00 71.25 H new ATOM 0 HA GLU A 21 -2.912 -3.836 -5.817 1.00 5.32 H new ATOM 0 HB2 GLU A 21 -0.957 -1.866 -7.043 1.00 3.40 H new ATOM 0 HB3 GLU A 21 -1.416 -3.385 -7.785 1.00 3.40 H new ATOM 0 HG2 GLU A 21 -3.761 -2.582 -7.917 1.00 32.23 H new ATOM 0 HG3 GLU A 21 -3.253 -1.048 -7.239 1.00 32.23 H new ATOM 357 N MET A 22 -0.845 -5.182 -5.353 1.00 54.31 N ATOM 358 CA MET A 22 0.358 -5.876 -5.164 1.00 74.31 C ATOM 359 C MET A 22 0.812 -6.419 -6.505 1.00 22.01 C ATOM 360 O MET A 22 0.220 -7.342 -7.073 1.00 24.01 O ATOM 361 CB MET A 22 0.238 -6.981 -4.076 1.00 34.40 C ATOM 362 CG MET A 22 -0.855 -8.046 -4.289 1.00 5.42 C ATOM 363 SD MET A 22 -2.549 -7.386 -4.234 1.00 5.15 S ATOM 364 CE MET A 22 -2.611 -6.738 -2.557 1.00 11.12 C ATOM 0 H MET A 22 -1.676 -5.759 -5.484 1.00 54.31 H new ATOM 0 HA MET A 22 1.116 -5.192 -4.783 1.00 74.31 H new ATOM 0 HB2 MET A 22 1.199 -7.490 -4.001 1.00 34.40 H new ATOM 0 HB3 MET A 22 0.058 -6.496 -3.117 1.00 34.40 H new ATOM 0 HG2 MET A 22 -0.695 -8.529 -5.253 1.00 5.42 H new ATOM 0 HG3 MET A 22 -0.751 -8.817 -3.525 1.00 5.42 H new ATOM 0 HE1 MET A 22 -3.649 -6.561 -2.273 1.00 11.12 H new ATOM 0 HE2 MET A 22 -2.165 -7.459 -1.872 1.00 11.12 H new ATOM 0 HE3 MET A 22 -2.057 -5.801 -2.508 1.00 11.12 H new ATOM 374 N LYS A 23 1.855 -5.816 -6.994 1.00 12.35 N ATOM 375 CA LYS A 23 2.479 -6.139 -8.244 1.00 34.14 C ATOM 376 C LYS A 23 3.893 -5.582 -8.250 1.00 5.32 C ATOM 377 O LYS A 23 4.133 -4.540 -7.649 1.00 23.42 O ATOM 378 CB LYS A 23 1.586 -5.751 -9.484 1.00 72.23 C ATOM 379 CG LYS A 23 0.973 -4.332 -9.519 1.00 23.22 C ATOM 380 CD LYS A 23 1.985 -3.226 -9.755 1.00 74.11 C ATOM 381 CE LYS A 23 1.305 -1.852 -9.804 1.00 52.40 C ATOM 382 NZ LYS A 23 0.270 -1.755 -10.860 1.00 11.41 N ATOM 0 H LYS A 23 2.317 -5.047 -6.508 1.00 12.35 H new ATOM 0 HA LYS A 23 2.571 -7.220 -8.349 1.00 34.14 H new ATOM 0 HB2 LYS A 23 2.189 -5.877 -10.383 1.00 72.23 H new ATOM 0 HB3 LYS A 23 0.769 -6.470 -9.546 1.00 72.23 H new ATOM 0 HG2 LYS A 23 0.218 -4.293 -10.305 1.00 23.22 H new ATOM 0 HG3 LYS A 23 0.461 -4.146 -8.575 1.00 23.22 H new ATOM 0 HD2 LYS A 23 2.731 -3.237 -8.961 1.00 74.11 H new ATOM 0 HD3 LYS A 23 2.513 -3.407 -10.691 1.00 74.11 H new ATOM 0 HE2 LYS A 23 0.849 -1.644 -8.836 1.00 52.40 H new ATOM 0 HE3 LYS A 23 2.061 -1.085 -9.972 1.00 52.40 H new ATOM 0 HZ1 LYS A 23 0.040 -0.755 -11.030 1.00 11.41 H new ATOM 0 HZ2 LYS A 23 0.629 -2.182 -11.738 1.00 11.41 H new ATOM 0 HZ3 LYS A 23 -0.586 -2.260 -10.554 1.00 11.41 H new ATOM 396 N PRO A 24 4.853 -6.260 -8.873 1.00 35.42 N ATOM 397 CA PRO A 24 6.239 -5.829 -8.833 1.00 5.31 C ATOM 398 C PRO A 24 6.477 -4.567 -9.655 1.00 14.03 C ATOM 399 O PRO A 24 5.924 -4.405 -10.751 1.00 24.30 O ATOM 400 CB PRO A 24 7.003 -7.023 -9.404 1.00 44.11 C ATOM 401 CG PRO A 24 6.033 -7.677 -10.320 1.00 32.21 C ATOM 402 CD PRO A 24 4.680 -7.475 -9.695 1.00 72.44 C ATOM 0 HA PRO A 24 6.559 -5.561 -7.826 1.00 5.31 H new ATOM 0 HB2 PRO A 24 7.899 -6.704 -9.936 1.00 44.11 H new ATOM 0 HB3 PRO A 24 7.325 -7.703 -8.615 1.00 44.11 H new ATOM 0 HG2 PRO A 24 6.074 -7.234 -11.315 1.00 32.21 H new ATOM 0 HG3 PRO A 24 6.257 -8.738 -10.434 1.00 32.21 H new ATOM 0 HD2 PRO A 24 3.906 -7.341 -10.450 1.00 72.44 H new ATOM 0 HD3 PRO A 24 4.387 -8.331 -9.087 1.00 72.44 H new ATOM 410 N LYS A 25 7.286 -3.679 -9.109 1.00 1.03 N ATOM 411 CA LYS A 25 7.635 -2.427 -9.761 1.00 12.43 C ATOM 412 C LYS A 25 8.463 -2.750 -11.014 1.00 11.24 C ATOM 413 O LYS A 25 8.295 -2.151 -12.081 1.00 22.01 O ATOM 414 CB LYS A 25 8.457 -1.567 -8.778 1.00 11.34 C ATOM 415 CG LYS A 25 8.798 -0.175 -9.249 1.00 32.24 C ATOM 416 CD LYS A 25 7.564 0.688 -9.269 1.00 64.22 C ATOM 417 CE LYS A 25 7.865 2.070 -9.821 1.00 43.41 C ATOM 418 NZ LYS A 25 6.673 2.942 -9.822 1.00 63.25 N ATOM 0 H LYS A 25 7.723 -3.805 -8.196 1.00 1.03 H new ATOM 0 HA LYS A 25 6.741 -1.875 -10.051 1.00 12.43 H new ATOM 0 HB2 LYS A 25 7.903 -1.488 -7.843 1.00 11.34 H new ATOM 0 HB3 LYS A 25 9.386 -2.092 -8.555 1.00 11.34 H new ATOM 0 HG2 LYS A 25 9.547 0.265 -8.591 1.00 32.24 H new ATOM 0 HG3 LYS A 25 9.236 -0.218 -10.246 1.00 32.24 H new ATOM 0 HD2 LYS A 25 6.794 0.211 -9.876 1.00 64.22 H new ATOM 0 HD3 LYS A 25 7.164 0.777 -8.259 1.00 64.22 H new ATOM 0 HE2 LYS A 25 8.652 2.534 -9.226 1.00 43.41 H new ATOM 0 HE3 LYS A 25 8.247 1.978 -10.838 1.00 43.41 H new ATOM 0 HZ1 LYS A 25 6.925 3.875 -10.207 1.00 63.25 H new ATOM 0 HZ2 LYS A 25 5.930 2.514 -10.411 1.00 63.25 H new ATOM 0 HZ3 LYS A 25 6.323 3.052 -8.849 1.00 63.25 H new ATOM 432 N TYR A 26 9.324 -3.724 -10.855 1.00 3.42 N ATOM 433 CA TYR A 26 10.180 -4.242 -11.893 1.00 42.30 C ATOM 434 C TYR A 26 10.046 -5.759 -11.916 1.00 11.25 C ATOM 435 O TYR A 26 9.738 -6.357 -10.899 1.00 4.54 O ATOM 436 CB TYR A 26 11.646 -3.845 -11.617 1.00 54.04 C ATOM 437 CG TYR A 26 11.984 -2.406 -11.906 1.00 10.24 C ATOM 438 CD1 TYR A 26 11.684 -1.395 -11.008 1.00 73.34 C ATOM 439 CD2 TYR A 26 12.624 -2.067 -13.091 1.00 74.14 C ATOM 440 CE1 TYR A 26 11.999 -0.082 -11.282 1.00 3.22 C ATOM 441 CE2 TYR A 26 12.947 -0.753 -13.373 1.00 42.45 C ATOM 442 CZ TYR A 26 12.630 0.235 -12.465 1.00 51.31 C ATOM 443 OH TYR A 26 12.941 1.547 -12.735 1.00 2.13 O ATOM 0 H TYR A 26 9.453 -4.198 -9.961 1.00 3.42 H new ATOM 0 HA TYR A 26 9.887 -3.828 -12.858 1.00 42.30 H new ATOM 0 HB2 TYR A 26 11.871 -4.052 -10.571 1.00 54.04 H new ATOM 0 HB3 TYR A 26 12.297 -4.482 -12.215 1.00 54.04 H new ATOM 0 HD1 TYR A 26 11.195 -1.640 -10.077 1.00 73.34 H new ATOM 0 HD2 TYR A 26 12.873 -2.841 -13.802 1.00 74.14 H new ATOM 0 HE1 TYR A 26 11.753 0.695 -10.573 1.00 3.22 H new ATOM 0 HE2 TYR A 26 13.444 -0.502 -14.298 1.00 42.45 H new ATOM 0 HH TYR A 26 13.384 1.605 -13.607 1.00 2.13 H new ATOM 453 N PRO A 27 10.258 -6.411 -13.064 1.00 30.31 N ATOM 454 CA PRO A 27 10.174 -7.880 -13.150 1.00 22.12 C ATOM 455 C PRO A 27 11.283 -8.560 -12.329 1.00 65.34 C ATOM 456 O PRO A 27 11.151 -9.701 -11.893 1.00 2.04 O ATOM 457 CB PRO A 27 10.361 -8.165 -14.651 1.00 63.51 C ATOM 458 CG PRO A 27 11.048 -6.955 -15.189 1.00 2.43 C ATOM 459 CD PRO A 27 10.554 -5.796 -14.372 1.00 24.32 C ATOM 0 HA PRO A 27 9.236 -8.265 -12.750 1.00 22.12 H new ATOM 0 HB2 PRO A 27 10.958 -9.062 -14.811 1.00 63.51 H new ATOM 0 HB3 PRO A 27 9.403 -8.328 -15.145 1.00 63.51 H new ATOM 0 HG2 PRO A 27 12.131 -7.054 -15.110 1.00 2.43 H new ATOM 0 HG3 PRO A 27 10.818 -6.813 -16.245 1.00 2.43 H new ATOM 0 HD2 PRO A 27 11.307 -5.012 -14.288 1.00 24.32 H new ATOM 0 HD3 PRO A 27 9.667 -5.341 -14.813 1.00 24.32 H new ATOM 467 N HIS A 28 12.347 -7.807 -12.083 1.00 62.22 N ATOM 468 CA HIS A 28 13.526 -8.295 -11.362 1.00 4.31 C ATOM 469 C HIS A 28 13.390 -8.068 -9.844 1.00 63.22 C ATOM 470 O HIS A 28 14.389 -7.954 -9.129 1.00 32.44 O ATOM 471 CB HIS A 28 14.819 -7.602 -11.894 1.00 5.15 C ATOM 472 CG HIS A 28 14.880 -6.098 -11.734 1.00 31.44 C ATOM 473 ND1 HIS A 28 15.192 -5.493 -10.550 1.00 22.31 N ATOM 474 CD2 HIS A 28 14.683 -5.079 -12.622 1.00 1.20 C ATOM 475 CE1 HIS A 28 15.188 -4.195 -10.706 1.00 11.20 C ATOM 476 NE2 HIS A 28 14.891 -3.917 -11.945 1.00 51.14 N ATOM 0 H HIS A 28 12.421 -6.833 -12.378 1.00 62.22 H new ATOM 0 HA HIS A 28 13.600 -9.368 -11.539 1.00 4.31 H new ATOM 0 HB2 HIS A 28 15.677 -8.037 -11.382 1.00 5.15 H new ATOM 0 HB3 HIS A 28 14.925 -7.839 -12.953 1.00 5.15 H new ATOM 0 HD2 HIS A 28 14.413 -5.177 -13.663 1.00 1.20 H new ATOM 0 HE1 HIS A 28 15.397 -3.470 -9.933 1.00 11.20 H new ATOM 0 HE2 HIS A 28 14.825 -2.980 -12.342 1.00 51.14 H new ATOM 485 N CYS A 29 12.175 -8.065 -9.357 1.00 73.21 N ATOM 486 CA CYS A 29 11.925 -7.835 -7.957 1.00 64.55 C ATOM 487 C CYS A 29 11.466 -9.134 -7.301 1.00 62.45 C ATOM 488 O CYS A 29 10.884 -10.001 -7.981 1.00 21.04 O ATOM 489 CB CYS A 29 10.798 -6.810 -7.821 1.00 50.41 C ATOM 490 SG CYS A 29 11.105 -5.157 -8.555 1.00 31.13 S ATOM 0 H CYS A 29 11.336 -8.221 -9.916 1.00 73.21 H new ATOM 0 HA CYS A 29 12.836 -7.476 -7.479 1.00 64.55 H new ATOM 0 HB2 CYS A 29 9.901 -7.226 -8.279 1.00 50.41 H new ATOM 0 HB3 CYS A 29 10.582 -6.678 -6.761 1.00 50.41 H new ATOM 0 HG CYS A 29 10.296 -4.289 -8.024 1.00 31.13 H new ATOM 495 N GLU A 30 11.736 -9.301 -6.001 1.00 63.24 N ATOM 496 CA GLU A 30 11.250 -10.460 -5.299 1.00 34.42 C ATOM 497 C GLU A 30 9.844 -10.167 -4.815 1.00 73.03 C ATOM 498 O GLU A 30 9.607 -9.100 -4.230 1.00 63.01 O ATOM 499 CB GLU A 30 12.143 -10.850 -4.097 1.00 62.42 C ATOM 500 CG GLU A 30 13.567 -11.297 -4.396 1.00 51.53 C ATOM 501 CD GLU A 30 14.475 -10.212 -4.921 1.00 1.23 C ATOM 502 OE1 GLU A 30 14.826 -9.290 -4.150 1.00 34.44 O ATOM 503 OE2 GLU A 30 14.861 -10.258 -6.108 1.00 23.23 O ATOM 0 H GLU A 30 12.281 -8.651 -5.435 1.00 63.24 H new ATOM 0 HA GLU A 30 11.265 -11.305 -5.988 1.00 34.42 H new ATOM 0 HB2 GLU A 30 12.193 -9.994 -3.424 1.00 62.42 H new ATOM 0 HB3 GLU A 30 11.645 -11.654 -3.555 1.00 62.42 H new ATOM 0 HG2 GLU A 30 14.003 -11.706 -3.485 1.00 51.53 H new ATOM 0 HG3 GLU A 30 13.533 -12.107 -5.125 1.00 51.53 H new ATOM 510 N GLU A 31 8.933 -11.103 -5.041 1.00 42.22 N ATOM 511 CA GLU A 31 7.523 -10.964 -4.670 1.00 64.40 C ATOM 512 C GLU A 31 6.830 -9.828 -5.417 1.00 43.00 C ATOM 513 O GLU A 31 7.368 -9.261 -6.379 1.00 61.41 O ATOM 514 CB GLU A 31 7.350 -10.787 -3.165 1.00 12.42 C ATOM 515 CG GLU A 31 7.710 -11.997 -2.344 1.00 72.44 C ATOM 516 CD GLU A 31 7.435 -11.776 -0.887 1.00 42.03 C ATOM 517 OE1 GLU A 31 8.328 -11.293 -0.169 1.00 25.20 O ATOM 518 OE2 GLU A 31 6.315 -12.064 -0.437 1.00 54.04 O ATOM 0 H GLU A 31 9.150 -11.992 -5.492 1.00 42.22 H new ATOM 0 HA GLU A 31 7.042 -11.896 -4.967 1.00 64.40 H new ATOM 0 HB2 GLU A 31 7.964 -9.948 -2.839 1.00 12.42 H new ATOM 0 HB3 GLU A 31 6.313 -10.522 -2.961 1.00 12.42 H new ATOM 0 HG2 GLU A 31 7.142 -12.858 -2.696 1.00 72.44 H new ATOM 0 HG3 GLU A 31 8.765 -12.232 -2.484 1.00 72.44 H new ATOM 525 N LYS A 32 5.618 -9.556 -5.016 1.00 62.53 N ATOM 526 CA LYS A 32 4.847 -8.482 -5.559 1.00 2.32 C ATOM 527 C LYS A 32 4.997 -7.280 -4.660 1.00 34.04 C ATOM 528 O LYS A 32 4.881 -7.397 -3.435 1.00 43.23 O ATOM 529 CB LYS A 32 3.377 -8.888 -5.616 1.00 15.02 C ATOM 530 CG LYS A 32 3.127 -10.186 -6.357 1.00 63.44 C ATOM 531 CD LYS A 32 3.548 -10.100 -7.798 1.00 35.51 C ATOM 532 CE LYS A 32 3.328 -11.413 -8.552 1.00 72.10 C ATOM 533 NZ LYS A 32 4.168 -12.518 -8.032 1.00 3.40 N ATOM 0 H LYS A 32 5.135 -10.086 -4.291 1.00 62.53 H new ATOM 0 HA LYS A 32 5.195 -8.246 -6.565 1.00 2.32 H new ATOM 0 HB2 LYS A 32 2.997 -8.983 -4.599 1.00 15.02 H new ATOM 0 HB3 LYS A 32 2.809 -8.092 -6.096 1.00 15.02 H new ATOM 0 HG2 LYS A 32 3.671 -10.994 -5.868 1.00 63.44 H new ATOM 0 HG3 LYS A 32 2.068 -10.437 -6.303 1.00 63.44 H new ATOM 0 HD2 LYS A 32 2.988 -9.304 -8.290 1.00 35.51 H new ATOM 0 HD3 LYS A 32 4.602 -9.827 -7.850 1.00 35.51 H new ATOM 0 HE2 LYS A 32 2.278 -11.696 -8.482 1.00 72.10 H new ATOM 0 HE3 LYS A 32 3.547 -11.262 -9.609 1.00 72.10 H new ATOM 0 HZ1 LYS A 32 4.083 -13.344 -8.659 1.00 3.40 H new ATOM 0 HZ2 LYS A 32 5.161 -12.212 -7.996 1.00 3.40 H new ATOM 0 HZ3 LYS A 32 3.850 -12.775 -7.076 1.00 3.40 H new ATOM 547 N MET A 33 5.265 -6.155 -5.243 1.00 14.44 N ATOM 548 CA MET A 33 5.372 -4.920 -4.482 1.00 24.22 C ATOM 549 C MET A 33 4.050 -4.384 -4.123 1.00 62.43 C ATOM 550 O MET A 33 3.061 -4.616 -4.803 1.00 4.23 O ATOM 551 CB MET A 33 6.189 -3.837 -5.174 1.00 30.31 C ATOM 552 CG MET A 33 7.660 -3.989 -4.971 1.00 53.12 C ATOM 553 SD MET A 33 8.295 -5.548 -5.541 1.00 72.13 S ATOM 554 CE MET A 33 9.855 -5.484 -4.723 1.00 41.44 C ATOM 0 H MET A 33 5.417 -6.051 -6.246 1.00 14.44 H new ATOM 0 HA MET A 33 5.910 -5.200 -3.576 1.00 24.22 H new ATOM 0 HB2 MET A 33 5.973 -3.855 -6.242 1.00 30.31 H new ATOM 0 HB3 MET A 33 5.876 -2.861 -4.801 1.00 30.31 H new ATOM 0 HG2 MET A 33 8.176 -3.183 -5.492 1.00 53.12 H new ATOM 0 HG3 MET A 33 7.886 -3.879 -3.910 1.00 53.12 H new ATOM 0 HE1 MET A 33 10.218 -6.497 -4.553 1.00 41.44 H new ATOM 0 HE2 MET A 33 10.569 -4.942 -5.343 1.00 41.44 H new ATOM 0 HE3 MET A 33 9.744 -4.973 -3.767 1.00 41.44 H new ATOM 564 N VAL A 34 4.039 -3.665 -3.078 1.00 23.03 N ATOM 565 CA VAL A 34 2.846 -3.084 -2.582 1.00 23.43 C ATOM 566 C VAL A 34 2.765 -1.655 -3.054 1.00 22.14 C ATOM 567 O VAL A 34 3.555 -0.806 -2.642 1.00 51.34 O ATOM 568 CB VAL A 34 2.816 -3.165 -1.047 1.00 21.43 C ATOM 569 CG1 VAL A 34 1.595 -2.467 -0.477 1.00 71.14 C ATOM 570 CG2 VAL A 34 2.853 -4.626 -0.612 1.00 1.33 C ATOM 0 H VAL A 34 4.870 -3.454 -2.525 1.00 23.03 H new ATOM 0 HA VAL A 34 1.981 -3.630 -2.959 1.00 23.43 H new ATOM 0 HB VAL A 34 3.694 -2.651 -0.657 1.00 21.43 H new ATOM 0 HG11 VAL A 34 1.606 -2.544 0.610 1.00 71.14 H new ATOM 0 HG12 VAL A 34 1.608 -1.416 -0.767 1.00 71.14 H new ATOM 0 HG13 VAL A 34 0.692 -2.939 -0.865 1.00 71.14 H new ATOM 0 HG21 VAL A 34 2.832 -4.682 0.476 1.00 1.33 H new ATOM 0 HG22 VAL A 34 1.988 -5.149 -1.019 1.00 1.33 H new ATOM 0 HG23 VAL A 34 3.766 -5.093 -0.982 1.00 1.33 H new ATOM 580 N ILE A 35 1.849 -1.409 -3.939 1.00 25.53 N ATOM 581 CA ILE A 35 1.668 -0.108 -4.515 1.00 12.12 C ATOM 582 C ILE A 35 0.501 0.564 -3.842 1.00 33.52 C ATOM 583 O ILE A 35 -0.607 0.013 -3.795 1.00 2.21 O ATOM 584 CB ILE A 35 1.403 -0.210 -6.033 1.00 71.41 C ATOM 585 CG1 ILE A 35 2.523 -1.007 -6.719 1.00 52.12 C ATOM 586 CG2 ILE A 35 1.253 1.176 -6.666 1.00 20.13 C ATOM 587 CD1 ILE A 35 3.917 -0.410 -6.589 1.00 54.04 C ATOM 0 H ILE A 35 1.197 -2.112 -4.287 1.00 25.53 H new ATOM 0 HA ILE A 35 2.577 0.475 -4.366 1.00 12.12 H new ATOM 0 HB ILE A 35 0.462 -0.741 -6.177 1.00 71.41 H new ATOM 0 HG12 ILE A 35 2.537 -2.015 -6.304 1.00 52.12 H new ATOM 0 HG13 ILE A 35 2.283 -1.102 -7.778 1.00 52.12 H new ATOM 0 HG21 ILE A 35 1.067 1.070 -7.735 1.00 20.13 H new ATOM 0 HG22 ILE A 35 0.416 1.699 -6.203 1.00 20.13 H new ATOM 0 HG23 ILE A 35 2.168 1.747 -6.512 1.00 20.13 H new ATOM 0 HD11 ILE A 35 4.635 -1.046 -7.106 1.00 54.04 H new ATOM 0 HD12 ILE A 35 3.929 0.586 -7.032 1.00 54.04 H new ATOM 0 HD13 ILE A 35 4.187 -0.341 -5.535 1.00 54.04 H new ATOM 599 N ILE A 36 0.748 1.729 -3.328 1.00 31.42 N ATOM 600 CA ILE A 36 -0.236 2.474 -2.593 1.00 74.02 C ATOM 601 C ILE A 36 -0.501 3.810 -3.267 1.00 72.11 C ATOM 602 O ILE A 36 0.404 4.630 -3.408 1.00 71.44 O ATOM 603 CB ILE A 36 0.249 2.714 -1.138 1.00 63.40 C ATOM 604 CG1 ILE A 36 0.433 1.383 -0.393 1.00 63.45 C ATOM 605 CG2 ILE A 36 -0.704 3.623 -0.382 1.00 61.04 C ATOM 606 CD1 ILE A 36 -0.848 0.623 -0.151 1.00 71.34 C ATOM 0 H ILE A 36 1.650 2.199 -3.406 1.00 31.42 H new ATOM 0 HA ILE A 36 -1.160 1.896 -2.573 1.00 74.02 H new ATOM 0 HB ILE A 36 1.217 3.212 -1.192 1.00 63.40 H new ATOM 0 HG12 ILE A 36 1.114 0.752 -0.964 1.00 63.45 H new ATOM 0 HG13 ILE A 36 0.911 1.580 0.566 1.00 63.45 H new ATOM 0 HG21 ILE A 36 -0.337 3.772 0.633 1.00 61.04 H new ATOM 0 HG22 ILE A 36 -0.768 4.586 -0.889 1.00 61.04 H new ATOM 0 HG23 ILE A 36 -1.693 3.165 -0.347 1.00 61.04 H new ATOM 0 HD11 ILE A 36 -0.627 -0.303 0.380 1.00 71.34 H new ATOM 0 HD12 ILE A 36 -1.525 1.232 0.448 1.00 71.34 H new ATOM 0 HD13 ILE A 36 -1.319 0.390 -1.106 1.00 71.34 H new ATOM 618 N THR A 37 -1.718 4.017 -3.676 1.00 13.10 N ATOM 619 CA THR A 37 -2.127 5.270 -4.274 1.00 72.04 C ATOM 620 C THR A 37 -2.757 6.122 -3.169 1.00 1.14 C ATOM 621 O THR A 37 -3.686 5.661 -2.492 1.00 12.01 O ATOM 622 CB THR A 37 -3.170 4.991 -5.368 1.00 21.21 C ATOM 623 OG1 THR A 37 -2.624 4.049 -6.301 1.00 33.22 O ATOM 624 CG2 THR A 37 -3.553 6.259 -6.107 1.00 64.34 C ATOM 0 H THR A 37 -2.463 3.324 -3.607 1.00 13.10 H new ATOM 0 HA THR A 37 -1.277 5.787 -4.720 1.00 72.04 H new ATOM 0 HB THR A 37 -4.066 4.590 -4.895 1.00 21.21 H new ATOM 0 HG1 THR A 37 -3.236 3.948 -7.060 1.00 33.22 H new ATOM 0 HG21 THR A 37 -4.292 6.025 -6.873 1.00 64.34 H new ATOM 0 HG22 THR A 37 -3.975 6.977 -5.404 1.00 64.34 H new ATOM 0 HG23 THR A 37 -2.668 6.688 -6.576 1.00 64.34 H new ATOM 632 N THR A 38 -2.263 7.326 -2.976 1.00 11.34 N ATOM 633 CA THR A 38 -2.721 8.136 -1.866 1.00 23.12 C ATOM 634 C THR A 38 -3.717 9.195 -2.300 1.00 72.51 C ATOM 635 O THR A 38 -3.768 9.577 -3.480 1.00 42.15 O ATOM 636 CB THR A 38 -1.514 8.814 -1.196 1.00 64.23 C ATOM 637 OG1 THR A 38 -0.801 9.618 -2.159 1.00 61.01 O ATOM 638 CG2 THR A 38 -0.580 7.769 -0.659 1.00 24.51 C ATOM 0 H THR A 38 -1.553 7.762 -3.564 1.00 11.34 H new ATOM 0 HA THR A 38 -3.228 7.475 -1.163 1.00 23.12 H new ATOM 0 HB THR A 38 -1.875 9.446 -0.384 1.00 64.23 H new ATOM 0 HG1 THR A 38 -0.122 9.069 -2.605 1.00 61.01 H new ATOM 0 HG21 THR A 38 0.274 8.253 -0.185 1.00 24.51 H new ATOM 0 HG22 THR A 38 -1.103 7.156 0.075 1.00 24.51 H new ATOM 0 HG23 THR A 38 -0.232 7.138 -1.476 1.00 24.51 H new ATOM 646 N LYS A 39 -4.510 9.655 -1.357 1.00 71.02 N ATOM 647 CA LYS A 39 -5.478 10.682 -1.604 1.00 52.14 C ATOM 648 C LYS A 39 -4.830 12.046 -1.595 1.00 1.22 C ATOM 649 O LYS A 39 -4.997 12.816 -2.541 1.00 72.23 O ATOM 650 CB LYS A 39 -6.617 10.586 -0.586 1.00 14.12 C ATOM 651 CG LYS A 39 -7.762 11.559 -0.774 1.00 74.14 C ATOM 652 CD LYS A 39 -8.837 11.293 0.266 1.00 32.22 C ATOM 653 CE LYS A 39 -10.043 12.206 0.115 1.00 4.24 C ATOM 654 NZ LYS A 39 -9.721 13.638 0.307 1.00 50.04 N ATOM 0 H LYS A 39 -4.495 9.320 -0.394 1.00 71.02 H new ATOM 0 HA LYS A 39 -5.903 10.536 -2.597 1.00 52.14 H new ATOM 0 HB2 LYS A 39 -7.019 9.573 -0.615 1.00 14.12 H new ATOM 0 HB3 LYS A 39 -6.200 10.735 0.410 1.00 14.12 H new ATOM 0 HG2 LYS A 39 -7.400 12.583 -0.683 1.00 74.14 H new ATOM 0 HG3 LYS A 39 -8.179 11.456 -1.776 1.00 74.14 H new ATOM 0 HD2 LYS A 39 -9.161 10.255 0.189 1.00 32.22 H new ATOM 0 HD3 LYS A 39 -8.412 11.422 1.262 1.00 32.22 H new ATOM 0 HE2 LYS A 39 -10.473 12.067 -0.877 1.00 4.24 H new ATOM 0 HE3 LYS A 39 -10.805 11.912 0.837 1.00 4.24 H new ATOM 0 HZ1 LYS A 39 -10.595 14.200 0.259 1.00 50.04 H new ATOM 0 HZ2 LYS A 39 -9.274 13.772 1.237 1.00 50.04 H new ATOM 0 HZ3 LYS A 39 -9.067 13.950 -0.439 1.00 50.04 H new ATOM 668 N SER A 40 -4.042 12.322 -0.530 1.00 53.40 N ATOM 669 CA SER A 40 -3.370 13.622 -0.370 1.00 22.54 C ATOM 670 C SER A 40 -2.620 13.799 0.969 1.00 71.14 C ATOM 671 O SER A 40 -1.603 14.493 0.997 1.00 53.50 O ATOM 672 CB SER A 40 -4.366 14.792 -0.551 1.00 31.11 C ATOM 673 OG SER A 40 -5.531 14.619 0.254 1.00 51.24 O ATOM 0 H SER A 40 -3.860 11.661 0.226 1.00 53.40 H new ATOM 0 HA SER A 40 -2.616 13.637 -1.157 1.00 22.54 H new ATOM 0 HB2 SER A 40 -3.878 15.730 -0.288 1.00 31.11 H new ATOM 0 HB3 SER A 40 -4.655 14.866 -1.599 1.00 31.11 H new ATOM 0 HG SER A 40 -6.138 15.376 0.117 1.00 51.24 H new ATOM 679 N VAL A 41 -3.086 13.170 2.063 1.00 0.22 N ATOM 680 CA VAL A 41 -2.507 13.473 3.399 1.00 74.41 C ATOM 681 C VAL A 41 -1.116 12.849 3.572 1.00 61.23 C ATOM 682 O VAL A 41 -0.359 13.219 4.480 1.00 3.42 O ATOM 683 CB VAL A 41 -3.442 13.065 4.592 1.00 1.31 C ATOM 684 CG1 VAL A 41 -3.492 11.566 4.801 1.00 35.11 C ATOM 685 CG2 VAL A 41 -3.069 13.793 5.881 1.00 21.21 C ATOM 0 H VAL A 41 -3.832 12.474 2.061 1.00 0.22 H new ATOM 0 HA VAL A 41 -2.409 14.558 3.431 1.00 74.41 H new ATOM 0 HB VAL A 41 -4.448 13.380 4.315 1.00 1.31 H new ATOM 0 HG11 VAL A 41 -4.152 11.337 5.638 1.00 35.11 H new ATOM 0 HG12 VAL A 41 -3.870 11.085 3.899 1.00 35.11 H new ATOM 0 HG13 VAL A 41 -2.490 11.195 5.017 1.00 35.11 H new ATOM 0 HG21 VAL A 41 -3.740 13.482 6.682 1.00 21.21 H new ATOM 0 HG22 VAL A 41 -2.042 13.548 6.153 1.00 21.21 H new ATOM 0 HG23 VAL A 41 -3.158 14.869 5.730 1.00 21.21 H new ATOM 695 N SER A 42 -0.786 11.913 2.709 1.00 34.42 N ATOM 696 CA SER A 42 0.516 11.304 2.724 1.00 60.30 C ATOM 697 C SER A 42 1.565 12.375 2.406 1.00 20.23 C ATOM 698 O SER A 42 1.343 13.223 1.543 1.00 20.11 O ATOM 699 CB SER A 42 0.574 10.168 1.685 1.00 30.31 C ATOM 700 OG SER A 42 1.856 9.524 1.662 1.00 20.44 O ATOM 0 H SER A 42 -1.410 11.558 1.985 1.00 34.42 H new ATOM 0 HA SER A 42 0.718 10.880 3.707 1.00 60.30 H new ATOM 0 HB2 SER A 42 -0.197 9.432 1.910 1.00 30.31 H new ATOM 0 HB3 SER A 42 0.353 10.570 0.696 1.00 30.31 H new ATOM 0 HG SER A 42 1.976 9.065 0.804 1.00 20.44 H new ATOM 706 N ARG A 43 2.700 12.326 3.098 1.00 24.51 N ATOM 707 CA ARG A 43 3.795 13.301 2.913 1.00 63.41 C ATOM 708 C ARG A 43 4.320 13.314 1.467 1.00 30.01 C ATOM 709 O ARG A 43 4.941 14.274 1.033 1.00 3.14 O ATOM 710 CB ARG A 43 4.951 13.005 3.881 1.00 74.14 C ATOM 711 CG ARG A 43 5.555 11.613 3.721 1.00 51.22 C ATOM 712 CD ARG A 43 6.726 11.384 4.663 1.00 4.42 C ATOM 713 NE ARG A 43 6.355 11.550 6.074 1.00 24.13 N ATOM 714 CZ ARG A 43 7.034 11.034 7.109 1.00 61.10 C ATOM 715 NH1 ARG A 43 8.094 10.253 6.901 1.00 2.31 N ATOM 716 NH2 ARG A 43 6.645 11.301 8.350 1.00 24.11 N ATOM 0 H ARG A 43 2.896 11.615 3.803 1.00 24.51 H new ATOM 0 HA ARG A 43 3.383 14.287 3.129 1.00 63.41 H new ATOM 0 HB2 ARG A 43 5.734 13.749 3.733 1.00 74.14 H new ATOM 0 HB3 ARG A 43 4.592 13.119 4.904 1.00 74.14 H new ATOM 0 HG2 ARG A 43 4.788 10.862 3.909 1.00 51.22 H new ATOM 0 HG3 ARG A 43 5.887 11.479 2.692 1.00 51.22 H new ATOM 0 HD2 ARG A 43 7.120 10.379 4.510 1.00 4.42 H new ATOM 0 HD3 ARG A 43 7.527 12.081 4.417 1.00 4.42 H new ATOM 0 HE ARG A 43 5.520 12.098 6.282 1.00 24.13 H new ATOM 0 HH11 ARG A 43 8.394 10.044 5.949 1.00 2.31 H new ATOM 0 HH12 ARG A 43 8.605 9.865 7.694 1.00 2.31 H new ATOM 0 HH21 ARG A 43 5.833 11.896 8.513 1.00 24.11 H new ATOM 0 HH22 ARG A 43 7.158 10.911 9.140 1.00 24.11 H new ATOM 730 N TYR A 44 4.050 12.247 0.740 1.00 54.10 N ATOM 731 CA TYR A 44 4.486 12.093 -0.614 1.00 73.11 C ATOM 732 C TYR A 44 3.505 12.839 -1.562 1.00 73.15 C ATOM 733 O TYR A 44 3.782 13.034 -2.733 1.00 33.04 O ATOM 734 CB TYR A 44 4.541 10.601 -0.878 1.00 74.02 C ATOM 735 CG TYR A 44 5.250 10.159 -2.113 1.00 15.52 C ATOM 736 CD1 TYR A 44 6.480 10.680 -2.436 1.00 75.10 C ATOM 737 CD2 TYR A 44 4.698 9.209 -2.940 1.00 41.01 C ATOM 738 CE1 TYR A 44 7.154 10.274 -3.567 1.00 30.23 C ATOM 739 CE2 TYR A 44 5.362 8.786 -4.076 1.00 45.43 C ATOM 740 CZ TYR A 44 6.589 9.324 -4.385 1.00 71.34 C ATOM 741 OH TYR A 44 7.255 8.907 -5.519 1.00 55.52 O ATOM 0 H TYR A 44 3.511 11.455 1.090 1.00 54.10 H new ATOM 0 HA TYR A 44 5.470 12.527 -0.792 1.00 73.11 H new ATOM 0 HB2 TYR A 44 5.019 10.123 -0.023 1.00 74.02 H new ATOM 0 HB3 TYR A 44 3.518 10.227 -0.922 1.00 74.02 H new ATOM 0 HD1 TYR A 44 6.927 11.422 -1.791 1.00 75.10 H new ATOM 0 HD2 TYR A 44 3.733 8.788 -2.699 1.00 41.01 H new ATOM 0 HE1 TYR A 44 8.117 10.698 -3.809 1.00 30.23 H new ATOM 0 HE2 TYR A 44 4.920 8.038 -4.717 1.00 45.43 H new ATOM 0 HH TYR A 44 6.718 8.232 -5.984 1.00 55.52 H new ATOM 751 N ARG A 45 2.369 13.247 -0.988 1.00 1.42 N ATOM 752 CA ARG A 45 1.334 14.087 -1.612 1.00 50.54 C ATOM 753 C ARG A 45 0.748 13.581 -2.930 1.00 62.35 C ATOM 754 O ARG A 45 1.213 13.963 -4.009 1.00 40.33 O ATOM 755 CB ARG A 45 1.806 15.527 -1.770 1.00 61.41 C ATOM 756 CG ARG A 45 2.127 16.230 -0.470 1.00 72.41 C ATOM 757 CD ARG A 45 2.657 17.617 -0.748 1.00 11.32 C ATOM 758 NE ARG A 45 3.903 17.573 -1.524 1.00 5.33 N ATOM 759 CZ ARG A 45 4.384 18.571 -2.267 1.00 1.23 C ATOM 760 NH1 ARG A 45 3.693 19.697 -2.406 1.00 23.45 N ATOM 761 NH2 ARG A 45 5.550 18.432 -2.887 1.00 65.52 N ATOM 0 H ARG A 45 2.132 12.990 -0.030 1.00 1.42 H new ATOM 0 HA ARG A 45 0.509 14.030 -0.902 1.00 50.54 H new ATOM 0 HB2 ARG A 45 2.694 15.537 -2.402 1.00 61.41 H new ATOM 0 HB3 ARG A 45 1.035 16.093 -2.293 1.00 61.41 H new ATOM 0 HG2 ARG A 45 1.233 16.291 0.150 1.00 72.41 H new ATOM 0 HG3 ARG A 45 2.865 15.656 0.091 1.00 72.41 H new ATOM 0 HD2 ARG A 45 1.908 18.191 -1.293 1.00 11.32 H new ATOM 0 HD3 ARG A 45 2.832 18.136 0.194 1.00 11.32 H new ATOM 0 HE ARG A 45 4.445 16.709 -1.492 1.00 5.33 H new ATOM 0 HH11 ARG A 45 2.790 19.802 -1.943 1.00 23.45 H new ATOM 0 HH12 ARG A 45 4.065 20.457 -2.975 1.00 23.45 H new ATOM 0 HH21 ARG A 45 6.076 17.563 -2.795 1.00 65.52 H new ATOM 0 HH22 ARG A 45 5.919 19.194 -3.456 1.00 65.52 H new ATOM 775 N GLY A 46 -0.233 12.689 -2.838 1.00 32.43 N ATOM 776 CA GLY A 46 -1.003 12.288 -4.013 1.00 65.23 C ATOM 777 C GLY A 46 -0.210 11.508 -5.035 1.00 42.10 C ATOM 778 O GLY A 46 -0.561 11.492 -6.220 1.00 22.20 O ATOM 0 H GLY A 46 -0.513 12.232 -1.970 1.00 32.43 H new ATOM 0 HA2 GLY A 46 -1.851 11.684 -3.689 1.00 65.23 H new ATOM 0 HA3 GLY A 46 -1.410 13.180 -4.489 1.00 65.23 H new ATOM 782 N GLN A 47 0.831 10.866 -4.592 1.00 52.41 N ATOM 783 CA GLN A 47 1.690 10.101 -5.455 1.00 40.21 C ATOM 784 C GLN A 47 1.677 8.646 -5.005 1.00 70.15 C ATOM 785 O GLN A 47 1.371 8.355 -3.834 1.00 53.23 O ATOM 786 CB GLN A 47 3.115 10.654 -5.464 1.00 42.55 C ATOM 787 CG GLN A 47 3.242 12.116 -5.857 1.00 11.11 C ATOM 788 CD GLN A 47 2.706 12.432 -7.235 1.00 34.21 C ATOM 789 OE1 GLN A 47 2.725 11.600 -8.147 1.00 43.33 O ATOM 790 NE2 GLN A 47 2.219 13.631 -7.397 1.00 61.21 N ATOM 0 H GLN A 47 1.113 10.857 -3.612 1.00 52.41 H new ATOM 0 HA GLN A 47 1.315 10.172 -6.476 1.00 40.21 H new ATOM 0 HB2 GLN A 47 3.544 10.523 -4.471 1.00 42.55 H new ATOM 0 HB3 GLN A 47 3.714 10.057 -6.151 1.00 42.55 H new ATOM 0 HG2 GLN A 47 2.713 12.726 -5.124 1.00 11.11 H new ATOM 0 HG3 GLN A 47 4.292 12.404 -5.812 1.00 11.11 H new ATOM 0 HE21 GLN A 47 2.221 14.291 -6.620 1.00 61.21 H new ATOM 0 HE22 GLN A 47 1.837 13.908 -8.301 1.00 61.21 H new ATOM 799 N GLU A 48 2.020 7.747 -5.890 1.00 70.34 N ATOM 800 CA GLU A 48 1.914 6.339 -5.602 1.00 41.21 C ATOM 801 C GLU A 48 3.197 5.834 -4.971 1.00 35.24 C ATOM 802 O GLU A 48 4.297 6.085 -5.461 1.00 13.10 O ATOM 803 CB GLU A 48 1.608 5.501 -6.874 1.00 61.15 C ATOM 804 CG GLU A 48 0.268 5.779 -7.584 1.00 65.12 C ATOM 805 CD GLU A 48 0.169 7.152 -8.206 1.00 1.13 C ATOM 806 OE1 GLU A 48 0.770 7.380 -9.287 1.00 12.31 O ATOM 807 OE2 GLU A 48 -0.512 8.022 -7.647 1.00 52.21 O ATOM 0 H GLU A 48 2.377 7.965 -6.820 1.00 70.34 H new ATOM 0 HA GLU A 48 1.082 6.219 -4.908 1.00 41.21 H new ATOM 0 HB2 GLU A 48 2.413 5.665 -7.591 1.00 61.15 H new ATOM 0 HB3 GLU A 48 1.635 4.446 -6.601 1.00 61.15 H new ATOM 0 HG2 GLU A 48 0.119 5.029 -8.361 1.00 65.12 H new ATOM 0 HG3 GLU A 48 -0.543 5.659 -6.865 1.00 65.12 H new ATOM 814 N HIS A 49 3.032 5.145 -3.874 1.00 62.24 N ATOM 815 CA HIS A 49 4.122 4.585 -3.093 1.00 25.11 C ATOM 816 C HIS A 49 4.332 3.152 -3.431 1.00 32.32 C ATOM 817 O HIS A 49 3.420 2.480 -3.917 1.00 71.31 O ATOM 818 CB HIS A 49 3.821 4.617 -1.599 1.00 54.45 C ATOM 819 CG HIS A 49 3.761 5.938 -0.957 1.00 32.30 C ATOM 820 ND1 HIS A 49 4.751 6.393 -0.136 1.00 22.31 N ATOM 821 CD2 HIS A 49 2.786 6.863 -0.925 1.00 32.32 C ATOM 822 CE1 HIS A 49 4.396 7.532 0.386 1.00 13.43 C ATOM 823 NE2 HIS A 49 3.201 7.849 -0.076 1.00 1.24 N ATOM 0 H HIS A 49 2.112 4.947 -3.481 1.00 62.24 H new ATOM 0 HA HIS A 49 4.998 5.190 -3.327 1.00 25.11 H new ATOM 0 HB2 HIS A 49 2.866 4.118 -1.435 1.00 54.45 H new ATOM 0 HB3 HIS A 49 4.581 4.026 -1.088 1.00 54.45 H new ATOM 0 HD1 HIS A 49 5.634 5.914 0.042 1.00 22.31 H new ATOM 0 HD2 HIS A 49 1.853 6.832 -1.467 1.00 32.32 H new ATOM 0 HE1 HIS A 49 4.981 8.118 1.080 1.00 13.43 H new ATOM 832 N CYS A 50 5.506 2.683 -3.162 1.00 31.33 N ATOM 833 CA CYS A 50 5.799 1.302 -3.273 1.00 3.52 C ATOM 834 C CYS A 50 6.463 0.850 -1.996 1.00 21.35 C ATOM 835 O CYS A 50 7.449 1.449 -1.534 1.00 24.54 O ATOM 836 CB CYS A 50 6.605 0.965 -4.550 1.00 5.03 C ATOM 837 SG CYS A 50 8.086 1.993 -4.858 1.00 24.42 S ATOM 0 H CYS A 50 6.292 3.257 -2.857 1.00 31.33 H new ATOM 0 HA CYS A 50 4.873 0.740 -3.395 1.00 3.52 H new ATOM 0 HB2 CYS A 50 6.916 -0.078 -4.494 1.00 5.03 H new ATOM 0 HB3 CYS A 50 5.940 1.054 -5.409 1.00 5.03 H new ATOM 0 HG CYS A 50 8.665 1.602 -5.955 1.00 24.42 H new ATOM 842 N LEU A 51 5.898 -0.159 -1.399 1.00 44.44 N ATOM 843 CA LEU A 51 6.358 -0.669 -0.146 1.00 22.13 C ATOM 844 C LEU A 51 6.991 -2.029 -0.358 1.00 51.20 C ATOM 845 O LEU A 51 6.485 -2.852 -1.136 1.00 41.04 O ATOM 846 CB LEU A 51 5.180 -0.709 0.861 1.00 3.44 C ATOM 847 CG LEU A 51 5.460 -1.180 2.292 1.00 43.53 C ATOM 848 CD1 LEU A 51 6.561 -0.353 2.932 1.00 4.44 C ATOM 849 CD2 LEU A 51 4.193 -1.059 3.123 1.00 33.41 C ATOM 0 H LEU A 51 5.092 -0.657 -1.778 1.00 44.44 H new ATOM 0 HA LEU A 51 7.122 -0.017 0.277 1.00 22.13 H new ATOM 0 HB2 LEU A 51 4.758 0.294 0.918 1.00 3.44 H new ATOM 0 HB3 LEU A 51 4.408 -1.356 0.444 1.00 3.44 H new ATOM 0 HG LEU A 51 5.785 -2.220 2.254 1.00 43.53 H new ATOM 0 HD11 LEU A 51 6.740 -0.708 3.947 1.00 4.44 H new ATOM 0 HD12 LEU A 51 7.476 -0.450 2.347 1.00 4.44 H new ATOM 0 HD13 LEU A 51 6.259 0.694 2.962 1.00 4.44 H new ATOM 0 HD21 LEU A 51 4.392 -1.394 4.141 1.00 33.41 H new ATOM 0 HD22 LEU A 51 3.867 -0.019 3.140 1.00 33.41 H new ATOM 0 HD23 LEU A 51 3.410 -1.677 2.684 1.00 33.41 H new ATOM 861 N HIS A 52 8.104 -2.238 0.302 1.00 62.12 N ATOM 862 CA HIS A 52 8.881 -3.449 0.165 1.00 45.11 C ATOM 863 C HIS A 52 8.279 -4.560 1.062 1.00 21.10 C ATOM 864 O HIS A 52 8.326 -4.470 2.285 1.00 33.04 O ATOM 865 CB HIS A 52 10.344 -3.129 0.533 1.00 62.33 C ATOM 866 CG HIS A 52 11.319 -4.229 0.278 1.00 23.32 C ATOM 867 ND1 HIS A 52 12.069 -4.807 1.264 1.00 40.34 N ATOM 868 CD2 HIS A 52 11.693 -4.827 -0.874 1.00 24.32 C ATOM 869 CE1 HIS A 52 12.850 -5.715 0.741 1.00 34.04 C ATOM 870 NE2 HIS A 52 12.647 -5.747 -0.553 1.00 55.14 N ATOM 0 H HIS A 52 8.502 -1.565 0.957 1.00 62.12 H new ATOM 0 HA HIS A 52 8.856 -3.818 -0.860 1.00 45.11 H new ATOM 0 HB2 HIS A 52 10.659 -2.249 -0.028 1.00 62.33 H new ATOM 0 HB3 HIS A 52 10.387 -2.865 1.590 1.00 62.33 H new ATOM 0 HD2 HIS A 52 11.309 -4.617 -1.861 1.00 24.32 H new ATOM 0 HE1 HIS A 52 13.547 -6.336 1.285 1.00 34.04 H new ATOM 0 HE2 HIS A 52 13.125 -6.360 -1.213 1.00 55.14 H new ATOM 879 N PRO A 53 7.717 -5.630 0.439 1.00 50.51 N ATOM 880 CA PRO A 53 6.959 -6.717 1.138 1.00 12.31 C ATOM 881 C PRO A 53 7.769 -7.602 2.110 1.00 71.23 C ATOM 882 O PRO A 53 7.261 -8.609 2.610 1.00 33.31 O ATOM 883 CB PRO A 53 6.424 -7.567 -0.003 1.00 74.53 C ATOM 884 CG PRO A 53 7.304 -7.279 -1.164 1.00 25.53 C ATOM 885 CD PRO A 53 7.747 -5.858 -1.020 1.00 35.32 C ATOM 0 HA PRO A 53 6.209 -6.267 1.788 1.00 12.31 H new ATOM 0 HB2 PRO A 53 6.448 -8.626 0.253 1.00 74.53 H new ATOM 0 HB3 PRO A 53 5.387 -7.316 -0.226 1.00 74.53 H new ATOM 0 HG2 PRO A 53 8.161 -7.953 -1.178 1.00 25.53 H new ATOM 0 HG3 PRO A 53 6.769 -7.425 -2.102 1.00 25.53 H new ATOM 0 HD2 PRO A 53 8.746 -5.706 -1.429 1.00 35.32 H new ATOM 0 HD3 PRO A 53 7.080 -5.175 -1.546 1.00 35.32 H new ATOM 893 N LYS A 54 8.998 -7.243 2.349 1.00 54.12 N ATOM 894 CA LYS A 54 9.830 -7.940 3.314 1.00 11.12 C ATOM 895 C LYS A 54 9.557 -7.453 4.733 1.00 40.43 C ATOM 896 O LYS A 54 9.964 -8.079 5.706 1.00 62.32 O ATOM 897 CB LYS A 54 11.307 -7.790 2.963 1.00 1.03 C ATOM 898 CG LYS A 54 11.801 -8.826 1.960 1.00 54.02 C ATOM 899 CD LYS A 54 10.946 -8.892 0.711 1.00 24.35 C ATOM 900 CE LYS A 54 11.388 -10.023 -0.161 1.00 74.35 C ATOM 901 NZ LYS A 54 10.473 -10.260 -1.277 1.00 20.13 N ATOM 0 H LYS A 54 9.460 -6.461 1.886 1.00 54.12 H new ATOM 0 HA LYS A 54 9.575 -8.999 3.271 1.00 11.12 H new ATOM 0 HB2 LYS A 54 11.476 -6.793 2.557 1.00 1.03 H new ATOM 0 HB3 LYS A 54 11.899 -7.868 3.875 1.00 1.03 H new ATOM 0 HG2 LYS A 54 12.828 -8.592 1.679 1.00 54.02 H new ATOM 0 HG3 LYS A 54 11.816 -9.807 2.436 1.00 54.02 H new ATOM 0 HD2 LYS A 54 9.899 -9.023 0.985 1.00 24.35 H new ATOM 0 HD3 LYS A 54 11.017 -7.952 0.163 1.00 24.35 H new ATOM 0 HE2 LYS A 54 12.383 -9.810 -0.550 1.00 74.35 H new ATOM 0 HE3 LYS A 54 11.468 -10.930 0.438 1.00 74.35 H new ATOM 0 HZ1 LYS A 54 10.726 -11.151 -1.750 1.00 20.13 H new ATOM 0 HZ2 LYS A 54 9.498 -10.322 -0.920 1.00 20.13 H new ATOM 0 HZ3 LYS A 54 10.543 -9.475 -1.956 1.00 20.13 H new ATOM 915 N LEU A 55 8.873 -6.322 4.834 1.00 1.31 N ATOM 916 CA LEU A 55 8.551 -5.712 6.117 1.00 21.34 C ATOM 917 C LEU A 55 7.267 -6.306 6.689 1.00 75.24 C ATOM 918 O LEU A 55 6.364 -6.695 5.943 1.00 35.11 O ATOM 919 CB LEU A 55 8.398 -4.197 5.949 1.00 4.13 C ATOM 920 CG LEU A 55 9.633 -3.445 5.433 1.00 23.13 C ATOM 921 CD1 LEU A 55 9.308 -1.979 5.226 1.00 44.12 C ATOM 922 CD2 LEU A 55 10.801 -3.592 6.400 1.00 74.12 C ATOM 0 H LEU A 55 8.525 -5.801 4.029 1.00 1.31 H new ATOM 0 HA LEU A 55 9.365 -5.916 6.813 1.00 21.34 H new ATOM 0 HB2 LEU A 55 7.572 -4.010 5.263 1.00 4.13 H new ATOM 0 HB3 LEU A 55 8.116 -3.772 6.912 1.00 4.13 H new ATOM 0 HG LEU A 55 9.922 -3.881 4.477 1.00 23.13 H new ATOM 0 HD11 LEU A 55 10.193 -1.458 4.860 1.00 44.12 H new ATOM 0 HD12 LEU A 55 8.504 -1.884 4.497 1.00 44.12 H new ATOM 0 HD13 LEU A 55 8.994 -1.539 6.172 1.00 44.12 H new ATOM 0 HD21 LEU A 55 11.664 -3.051 6.013 1.00 74.12 H new ATOM 0 HD22 LEU A 55 10.523 -3.184 7.372 1.00 74.12 H new ATOM 0 HD23 LEU A 55 11.053 -4.647 6.508 1.00 74.12 H new ATOM 934 N GLN A 56 7.175 -6.357 8.007 1.00 70.01 N ATOM 935 CA GLN A 56 6.016 -6.939 8.676 1.00 32.52 C ATOM 936 C GLN A 56 4.869 -5.934 8.745 1.00 52.14 C ATOM 937 O GLN A 56 3.690 -6.316 8.752 1.00 2.45 O ATOM 938 CB GLN A 56 6.380 -7.443 10.077 1.00 65.44 C ATOM 939 CG GLN A 56 7.488 -8.490 10.091 1.00 62.10 C ATOM 940 CD GLN A 56 7.760 -9.039 11.482 1.00 11.34 C ATOM 941 OE1 GLN A 56 6.864 -9.112 12.320 1.00 22.14 O ATOM 942 NE2 GLN A 56 8.981 -9.427 11.739 1.00 40.32 N ATOM 0 H GLN A 56 7.891 -6.001 8.641 1.00 70.01 H new ATOM 0 HA GLN A 56 5.686 -7.795 8.087 1.00 32.52 H new ATOM 0 HB2 GLN A 56 6.688 -6.595 10.688 1.00 65.44 H new ATOM 0 HB3 GLN A 56 5.490 -7.865 10.543 1.00 65.44 H new ATOM 0 HG2 GLN A 56 7.215 -9.311 9.428 1.00 62.10 H new ATOM 0 HG3 GLN A 56 8.403 -8.050 9.693 1.00 62.10 H new ATOM 0 HE21 GLN A 56 9.702 -9.353 11.021 1.00 40.32 H new ATOM 0 HE22 GLN A 56 9.214 -9.804 12.658 1.00 40.32 H new ATOM 951 N SER A 57 5.221 -4.648 8.772 1.00 11.31 N ATOM 952 CA SER A 57 4.244 -3.558 8.816 1.00 13.34 C ATOM 953 C SER A 57 3.316 -3.632 7.595 1.00 4.55 C ATOM 954 O SER A 57 2.116 -3.313 7.672 1.00 43.33 O ATOM 955 CB SER A 57 4.990 -2.222 8.804 1.00 32.31 C ATOM 956 OG SER A 57 5.973 -2.183 9.829 1.00 0.03 O ATOM 0 H SER A 57 6.191 -4.332 8.764 1.00 11.31 H new ATOM 0 HA SER A 57 3.645 -3.646 9.723 1.00 13.34 H new ATOM 0 HB2 SER A 57 5.464 -2.074 7.834 1.00 32.31 H new ATOM 0 HB3 SER A 57 4.283 -1.404 8.941 1.00 32.31 H new ATOM 0 HG SER A 57 6.439 -1.321 9.803 1.00 0.03 H new ATOM 962 N THR A 58 3.887 -4.084 6.491 1.00 14.21 N ATOM 963 CA THR A 58 3.208 -4.229 5.236 1.00 61.44 C ATOM 964 C THR A 58 2.040 -5.211 5.368 1.00 4.43 C ATOM 965 O THR A 58 0.958 -4.960 4.868 1.00 54.13 O ATOM 966 CB THR A 58 4.215 -4.758 4.207 1.00 61.00 C ATOM 967 OG1 THR A 58 5.407 -3.953 4.285 1.00 53.31 O ATOM 968 CG2 THR A 58 3.658 -4.679 2.801 1.00 52.52 C ATOM 0 H THR A 58 4.867 -4.366 6.453 1.00 14.21 H new ATOM 0 HA THR A 58 2.808 -3.266 4.920 1.00 61.44 H new ATOM 0 HB THR A 58 4.430 -5.803 4.429 1.00 61.00 H new ATOM 0 HG1 THR A 58 6.064 -4.278 3.635 1.00 53.31 H new ATOM 0 HG21 THR A 58 4.396 -5.061 2.095 1.00 52.52 H new ATOM 0 HG22 THR A 58 2.749 -5.277 2.736 1.00 52.52 H new ATOM 0 HG23 THR A 58 3.428 -3.642 2.559 1.00 52.52 H new ATOM 976 N LYS A 59 2.264 -6.297 6.090 1.00 3.52 N ATOM 977 CA LYS A 59 1.260 -7.323 6.269 1.00 64.41 C ATOM 978 C LYS A 59 0.016 -6.818 6.942 1.00 70.30 C ATOM 979 O LYS A 59 -1.073 -7.062 6.452 1.00 64.23 O ATOM 980 CB LYS A 59 1.821 -8.582 6.932 1.00 73.45 C ATOM 981 CG LYS A 59 2.696 -9.433 6.006 1.00 74.54 C ATOM 982 CD LYS A 59 3.964 -8.724 5.539 1.00 52.53 C ATOM 983 CE LYS A 59 4.750 -9.571 4.544 1.00 42.40 C ATOM 984 NZ LYS A 59 3.973 -9.848 3.307 1.00 35.01 N ATOM 0 H LYS A 59 3.146 -6.488 6.566 1.00 3.52 H new ATOM 0 HA LYS A 59 0.952 -7.617 5.266 1.00 64.41 H new ATOM 0 HB2 LYS A 59 2.407 -8.291 7.804 1.00 73.45 H new ATOM 0 HB3 LYS A 59 0.992 -9.191 7.293 1.00 73.45 H new ATOM 0 HG2 LYS A 59 2.973 -10.351 6.525 1.00 74.54 H new ATOM 0 HG3 LYS A 59 2.111 -9.724 5.134 1.00 74.54 H new ATOM 0 HD2 LYS A 59 3.700 -7.772 5.078 1.00 52.53 H new ATOM 0 HD3 LYS A 59 4.592 -8.497 6.400 1.00 52.53 H new ATOM 0 HE2 LYS A 59 5.675 -9.057 4.283 1.00 42.40 H new ATOM 0 HE3 LYS A 59 5.031 -10.514 5.014 1.00 42.40 H new ATOM 0 HZ1 LYS A 59 4.616 -10.182 2.561 1.00 35.01 H new ATOM 0 HZ2 LYS A 59 3.259 -10.579 3.502 1.00 35.01 H new ATOM 0 HZ3 LYS A 59 3.500 -8.977 2.992 1.00 35.01 H new ATOM 998 N ARG A 60 0.152 -6.082 8.037 1.00 64.31 N ATOM 999 CA ARG A 60 -1.020 -5.522 8.655 1.00 12.53 C ATOM 1000 C ARG A 60 -1.670 -4.522 7.772 1.00 40.43 C ATOM 1001 O ARG A 60 -2.864 -4.496 7.676 1.00 21.54 O ATOM 1002 CB ARG A 60 -0.779 -4.921 10.033 1.00 43.23 C ATOM 1003 CG ARG A 60 -0.765 -5.913 11.172 1.00 70.21 C ATOM 1004 CD ARG A 60 0.458 -6.806 11.146 1.00 41.23 C ATOM 1005 NE ARG A 60 0.401 -7.823 12.186 1.00 42.43 N ATOM 1006 CZ ARG A 60 1.452 -8.385 12.771 1.00 62.05 C ATOM 1007 NH1 ARG A 60 2.681 -7.936 12.526 1.00 21.03 N ATOM 1008 NH2 ARG A 60 1.266 -9.372 13.633 1.00 52.24 N ATOM 0 H ARG A 60 1.037 -5.869 8.497 1.00 64.31 H new ATOM 0 HA ARG A 60 -1.688 -6.370 8.804 1.00 12.53 H new ATOM 0 HB2 ARG A 60 0.174 -4.393 10.020 1.00 43.23 H new ATOM 0 HB3 ARG A 60 -1.552 -4.178 10.228 1.00 43.23 H new ATOM 0 HG2 ARG A 60 -0.798 -5.375 12.119 1.00 70.21 H new ATOM 0 HG3 ARG A 60 -1.663 -6.530 11.124 1.00 70.21 H new ATOM 0 HD2 ARG A 60 0.538 -7.286 10.171 1.00 41.23 H new ATOM 0 HD3 ARG A 60 1.355 -6.200 11.277 1.00 41.23 H new ATOM 0 HE ARG A 60 -0.523 -8.129 12.491 1.00 42.43 H new ATOM 0 HH11 ARG A 60 2.820 -7.155 11.885 1.00 21.03 H new ATOM 0 HH12 ARG A 60 3.483 -8.373 12.979 1.00 21.03 H new ATOM 0 HH21 ARG A 60 0.321 -9.695 13.843 1.00 52.24 H new ATOM 0 HH22 ARG A 60 2.067 -9.810 14.087 1.00 52.24 H new ATOM 1022 N PHE A 61 -0.873 -3.742 7.080 1.00 44.22 N ATOM 1023 CA PHE A 61 -1.398 -2.689 6.249 1.00 42.25 C ATOM 1024 C PHE A 61 -2.241 -3.284 5.113 1.00 11.03 C ATOM 1025 O PHE A 61 -3.270 -2.731 4.751 1.00 13.21 O ATOM 1026 CB PHE A 61 -0.255 -1.840 5.709 1.00 0.52 C ATOM 1027 CG PHE A 61 -0.662 -0.468 5.195 1.00 61.10 C ATOM 1028 CD1 PHE A 61 -1.287 0.439 6.046 1.00 62.13 C ATOM 1029 CD2 PHE A 61 -0.384 -0.069 3.897 1.00 41.54 C ATOM 1030 CE1 PHE A 61 -1.630 1.709 5.614 1.00 50.01 C ATOM 1031 CE2 PHE A 61 -0.733 1.206 3.457 1.00 11.13 C ATOM 1032 CZ PHE A 61 -1.355 2.094 4.322 1.00 75.13 C ATOM 0 H PHE A 61 0.144 -3.819 7.077 1.00 44.22 H new ATOM 0 HA PHE A 61 -2.047 -2.045 6.843 1.00 42.25 H new ATOM 0 HB2 PHE A 61 0.486 -1.711 6.498 1.00 0.52 H new ATOM 0 HB3 PHE A 61 0.232 -2.385 4.900 1.00 0.52 H new ATOM 0 HD1 PHE A 61 -1.508 0.147 7.062 1.00 62.13 H new ATOM 0 HD2 PHE A 61 0.108 -0.753 3.221 1.00 41.54 H new ATOM 0 HE1 PHE A 61 -2.113 2.397 6.291 1.00 50.01 H new ATOM 0 HE2 PHE A 61 -0.519 1.503 2.441 1.00 11.13 H new ATOM 0 HZ PHE A 61 -1.622 3.084 3.983 1.00 75.13 H new ATOM 1042 N ILE A 62 -1.819 -4.445 4.587 1.00 31.14 N ATOM 1043 CA ILE A 62 -2.582 -5.101 3.531 1.00 53.11 C ATOM 1044 C ILE A 62 -3.827 -5.703 4.092 1.00 32.50 C ATOM 1045 O ILE A 62 -4.922 -5.467 3.603 1.00 62.12 O ATOM 1046 CB ILE A 62 -1.781 -6.233 2.827 1.00 43.43 C ATOM 1047 CG1 ILE A 62 -0.501 -5.673 2.223 1.00 15.35 C ATOM 1048 CG2 ILE A 62 -2.645 -6.935 1.757 1.00 44.40 C ATOM 1049 CD1 ILE A 62 -0.737 -4.510 1.309 1.00 50.15 C ATOM 0 H ILE A 62 -0.971 -4.935 4.873 1.00 31.14 H new ATOM 0 HA ILE A 62 -2.813 -4.329 2.797 1.00 53.11 H new ATOM 0 HB ILE A 62 -1.508 -6.982 3.571 1.00 43.43 H new ATOM 0 HG12 ILE A 62 0.167 -5.365 3.027 1.00 15.35 H new ATOM 0 HG13 ILE A 62 0.008 -6.463 1.671 1.00 15.35 H new ATOM 0 HG21 ILE A 62 -2.063 -7.723 1.279 1.00 44.40 H new ATOM 0 HG22 ILE A 62 -3.526 -7.370 2.229 1.00 44.40 H new ATOM 0 HG23 ILE A 62 -2.957 -6.208 1.007 1.00 44.40 H new ATOM 0 HD11 ILE A 62 0.216 -4.159 0.913 1.00 50.15 H new ATOM 0 HD12 ILE A 62 -1.381 -4.819 0.485 1.00 50.15 H new ATOM 0 HD13 ILE A 62 -1.218 -3.704 1.863 1.00 50.15 H new ATOM 1061 N LYS A 63 -3.656 -6.458 5.139 1.00 3.13 N ATOM 1062 CA LYS A 63 -4.759 -7.216 5.731 1.00 2.23 C ATOM 1063 C LYS A 63 -5.816 -6.321 6.343 1.00 42.14 C ATOM 1064 O LYS A 63 -7.009 -6.664 6.380 1.00 40.23 O ATOM 1065 CB LYS A 63 -4.208 -8.192 6.728 1.00 11.42 C ATOM 1066 CG LYS A 63 -3.273 -9.116 6.038 1.00 72.33 C ATOM 1067 CD LYS A 63 -2.475 -9.950 6.964 1.00 40.15 C ATOM 1068 CE LYS A 63 -1.371 -10.582 6.175 1.00 32.25 C ATOM 1069 NZ LYS A 63 -1.852 -11.564 5.165 1.00 73.13 N ATOM 0 H LYS A 63 -2.762 -6.576 5.615 1.00 3.13 H new ATOM 0 HA LYS A 63 -5.265 -7.764 4.936 1.00 2.23 H new ATOM 0 HB2 LYS A 63 -3.691 -7.661 7.527 1.00 11.42 H new ATOM 0 HB3 LYS A 63 -5.019 -8.754 7.191 1.00 11.42 H new ATOM 0 HG2 LYS A 63 -3.842 -9.767 5.374 1.00 72.33 H new ATOM 0 HG3 LYS A 63 -2.597 -8.535 5.411 1.00 72.33 H new ATOM 0 HD2 LYS A 63 -2.068 -9.341 7.771 1.00 40.15 H new ATOM 0 HD3 LYS A 63 -3.101 -10.714 7.425 1.00 40.15 H new ATOM 0 HE2 LYS A 63 -0.803 -9.801 5.669 1.00 32.25 H new ATOM 0 HE3 LYS A 63 -0.686 -11.082 6.859 1.00 32.25 H new ATOM 0 HZ1 LYS A 63 -1.039 -12.062 4.750 1.00 73.13 H new ATOM 0 HZ2 LYS A 63 -2.482 -12.253 5.623 1.00 73.13 H new ATOM 0 HZ3 LYS A 63 -2.371 -11.065 4.415 1.00 73.13 H new ATOM 1083 N TRP A 64 -5.387 -5.187 6.809 1.00 55.03 N ATOM 1084 CA TRP A 64 -6.261 -4.237 7.413 1.00 30.41 C ATOM 1085 C TRP A 64 -6.969 -3.457 6.296 1.00 72.35 C ATOM 1086 O TRP A 64 -8.181 -3.236 6.360 1.00 62.32 O ATOM 1087 CB TRP A 64 -5.449 -3.297 8.276 1.00 14.13 C ATOM 1088 CG TRP A 64 -6.118 -2.820 9.518 1.00 33.41 C ATOM 1089 CD1 TRP A 64 -5.786 -3.190 10.789 1.00 64.11 C ATOM 1090 CD2 TRP A 64 -7.219 -1.905 9.637 1.00 61.10 C ATOM 1091 NE1 TRP A 64 -6.599 -2.554 11.683 1.00 12.30 N ATOM 1092 CE2 TRP A 64 -7.491 -1.765 11.007 1.00 31.42 C ATOM 1093 CE3 TRP A 64 -7.998 -1.189 8.723 1.00 33.12 C ATOM 1094 CZ2 TRP A 64 -8.506 -0.943 11.488 1.00 54.12 C ATOM 1095 CZ3 TRP A 64 -9.005 -0.375 9.198 1.00 51.52 C ATOM 1096 CH2 TRP A 64 -9.249 -0.258 10.568 1.00 2.15 C ATOM 0 H TRP A 64 -4.410 -4.896 6.779 1.00 55.03 H new ATOM 0 HA TRP A 64 -7.002 -4.735 8.038 1.00 30.41 H new ATOM 0 HB2 TRP A 64 -4.522 -3.798 8.554 1.00 14.13 H new ATOM 0 HB3 TRP A 64 -5.175 -2.429 7.677 1.00 14.13 H new ATOM 0 HD1 TRP A 64 -4.998 -3.882 11.049 1.00 64.11 H new ATOM 0 HE1 TRP A 64 -6.550 -2.652 12.697 1.00 12.30 H new ATOM 0 HE3 TRP A 64 -7.814 -1.272 7.662 1.00 33.12 H new ATOM 0 HZ2 TRP A 64 -8.699 -0.850 12.547 1.00 54.12 H new ATOM 0 HZ3 TRP A 64 -9.614 0.180 8.500 1.00 51.52 H new ATOM 0 HH2 TRP A 64 -10.044 0.389 10.909 1.00 2.15 H new ATOM 1107 N TYR A 65 -6.203 -3.061 5.236 1.00 43.14 N ATOM 1108 CA TYR A 65 -6.790 -2.336 4.104 1.00 63.03 C ATOM 1109 C TYR A 65 -7.799 -3.219 3.417 1.00 13.41 C ATOM 1110 O TYR A 65 -8.819 -2.757 2.942 1.00 54.13 O ATOM 1111 CB TYR A 65 -5.722 -1.892 3.093 1.00 74.25 C ATOM 1112 CG TYR A 65 -6.271 -1.061 1.936 1.00 42.03 C ATOM 1113 CD1 TYR A 65 -6.394 0.316 2.043 1.00 52.11 C ATOM 1114 CD2 TYR A 65 -6.657 -1.653 0.741 1.00 54.12 C ATOM 1115 CE1 TYR A 65 -6.877 1.068 0.986 1.00 21.22 C ATOM 1116 CE2 TYR A 65 -7.143 -0.901 -0.310 1.00 43.31 C ATOM 1117 CZ TYR A 65 -7.247 0.455 -0.178 1.00 40.22 C ATOM 1118 OH TYR A 65 -7.711 1.214 -1.229 1.00 33.24 O ATOM 0 H TYR A 65 -5.201 -3.234 5.156 1.00 43.14 H new ATOM 0 HA TYR A 65 -7.273 -1.439 4.492 1.00 63.03 H new ATOM 0 HB2 TYR A 65 -4.961 -1.312 3.615 1.00 74.25 H new ATOM 0 HB3 TYR A 65 -5.228 -2.776 2.690 1.00 74.25 H new ATOM 0 HD1 TYR A 65 -6.110 0.807 2.962 1.00 52.11 H new ATOM 0 HD2 TYR A 65 -6.575 -2.724 0.631 1.00 54.12 H new ATOM 0 HE1 TYR A 65 -6.962 2.140 1.081 1.00 21.22 H new ATOM 0 HE2 TYR A 65 -7.439 -1.382 -1.231 1.00 43.31 H new ATOM 0 HH TYR A 65 -7.704 0.677 -2.049 1.00 33.24 H new ATOM 1128 N ASN A 66 -7.484 -4.489 3.385 1.00 73.12 N ATOM 1129 CA ASN A 66 -8.300 -5.522 2.768 1.00 13.54 C ATOM 1130 C ASN A 66 -9.714 -5.487 3.371 1.00 2.15 C ATOM 1131 O ASN A 66 -10.713 -5.557 2.655 1.00 10.04 O ATOM 1132 CB ASN A 66 -7.643 -6.877 3.056 1.00 40.02 C ATOM 1133 CG ASN A 66 -7.964 -7.958 2.056 1.00 14.31 C ATOM 1134 OD1 ASN A 66 -8.953 -8.683 2.175 1.00 24.05 O ATOM 1135 ND2 ASN A 66 -7.084 -8.101 1.081 1.00 71.41 N ATOM 0 H ASN A 66 -6.625 -4.852 3.799 1.00 73.12 H new ATOM 0 HA ASN A 66 -8.375 -5.361 1.693 1.00 13.54 H new ATOM 0 HB2 ASN A 66 -6.562 -6.741 3.090 1.00 40.02 H new ATOM 0 HB3 ASN A 66 -7.953 -7.213 4.046 1.00 40.02 H new ATOM 0 HD21 ASN A 66 -7.209 -8.837 0.385 1.00 71.41 H new ATOM 0 HD22 ASN A 66 -6.280 -7.476 1.024 1.00 71.41 H new ATOM 1142 N ALA A 67 -9.778 -5.356 4.692 1.00 74.33 N ATOM 1143 CA ALA A 67 -11.047 -5.260 5.403 1.00 44.20 C ATOM 1144 C ALA A 67 -11.656 -3.870 5.220 1.00 44.31 C ATOM 1145 O ALA A 67 -12.859 -3.722 5.004 1.00 23.31 O ATOM 1146 CB ALA A 67 -10.848 -5.556 6.877 1.00 51.20 C ATOM 0 H ALA A 67 -8.957 -5.314 5.296 1.00 74.33 H new ATOM 0 HA ALA A 67 -11.734 -5.998 4.988 1.00 44.20 H new ATOM 0 HB1 ALA A 67 -11.804 -5.481 7.396 1.00 51.20 H new ATOM 0 HB2 ALA A 67 -10.449 -6.564 6.995 1.00 51.20 H new ATOM 0 HB3 ALA A 67 -10.147 -4.837 7.301 1.00 51.20 H new ATOM 1152 N TRP A 68 -10.807 -2.862 5.317 1.00 61.04 N ATOM 1153 CA TRP A 68 -11.191 -1.463 5.144 1.00 52.33 C ATOM 1154 C TRP A 68 -11.861 -1.206 3.795 1.00 42.22 C ATOM 1155 O TRP A 68 -12.911 -0.573 3.737 1.00 40.12 O ATOM 1156 CB TRP A 68 -9.963 -0.560 5.340 1.00 73.41 C ATOM 1157 CG TRP A 68 -10.127 0.840 4.838 1.00 53.10 C ATOM 1158 CD1 TRP A 68 -9.508 1.374 3.747 1.00 62.53 C ATOM 1159 CD2 TRP A 68 -10.967 1.873 5.364 1.00 23.24 C ATOM 1160 NE1 TRP A 68 -9.896 2.666 3.574 1.00 44.41 N ATOM 1161 CE2 TRP A 68 -10.789 3.003 4.542 1.00 74.50 C ATOM 1162 CE3 TRP A 68 -11.846 1.961 6.444 1.00 40.22 C ATOM 1163 CZ2 TRP A 68 -11.449 4.194 4.759 1.00 23.42 C ATOM 1164 CZ3 TRP A 68 -12.506 3.156 6.657 1.00 70.01 C ATOM 1165 CH2 TRP A 68 -12.300 4.256 5.812 1.00 30.43 C ATOM 0 H TRP A 68 -9.816 -2.989 5.521 1.00 61.04 H new ATOM 0 HA TRP A 68 -11.935 -1.222 5.904 1.00 52.33 H new ATOM 0 HB2 TRP A 68 -9.722 -0.524 6.402 1.00 73.41 H new ATOM 0 HB3 TRP A 68 -9.111 -1.015 4.835 1.00 73.41 H new ATOM 0 HD1 TRP A 68 -8.811 0.847 3.112 1.00 62.53 H new ATOM 0 HE1 TRP A 68 -9.568 3.286 2.833 1.00 44.41 H new ATOM 0 HE3 TRP A 68 -12.006 1.116 7.097 1.00 40.22 H new ATOM 0 HZ2 TRP A 68 -11.294 5.046 4.114 1.00 23.42 H new ATOM 0 HZ3 TRP A 68 -13.191 3.244 7.487 1.00 70.01 H new ATOM 0 HH2 TRP A 68 -12.833 5.175 6.005 1.00 30.43 H new ATOM 1176 N ASN A 69 -11.258 -1.708 2.733 1.00 41.21 N ATOM 1177 CA ASN A 69 -11.769 -1.542 1.365 1.00 50.55 C ATOM 1178 C ASN A 69 -13.199 -2.068 1.288 1.00 22.32 C ATOM 1179 O ASN A 69 -14.082 -1.441 0.669 1.00 13.43 O ATOM 1180 CB ASN A 69 -10.838 -2.291 0.364 1.00 41.21 C ATOM 1181 CG ASN A 69 -11.207 -2.132 -1.125 1.00 73.22 C ATOM 1182 OD1 ASN A 69 -12.362 -1.991 -1.496 1.00 32.50 O ATOM 1183 ND2 ASN A 69 -10.215 -2.155 -1.980 1.00 21.10 N ATOM 0 H ASN A 69 -10.394 -2.247 2.785 1.00 41.21 H new ATOM 0 HA ASN A 69 -11.778 -0.486 1.097 1.00 50.55 H new ATOM 0 HB2 ASN A 69 -9.817 -1.937 0.508 1.00 41.21 H new ATOM 0 HB3 ASN A 69 -10.845 -3.352 0.612 1.00 41.21 H new ATOM 0 HD21 ASN A 69 -10.400 -2.054 -2.978 1.00 21.10 H new ATOM 0 HD22 ASN A 69 -9.258 -2.274 -1.648 1.00 21.10 H new ATOM 1190 N GLU A 70 -13.433 -3.177 1.952 1.00 73.32 N ATOM 1191 CA GLU A 70 -14.738 -3.779 1.981 1.00 23.42 C ATOM 1192 C GLU A 70 -15.707 -2.942 2.828 1.00 43.13 C ATOM 1193 O GLU A 70 -16.787 -2.600 2.371 1.00 74.54 O ATOM 1194 CB GLU A 70 -14.626 -5.194 2.532 1.00 72.44 C ATOM 1195 CG GLU A 70 -15.929 -5.959 2.587 1.00 33.52 C ATOM 1196 CD GLU A 70 -15.730 -7.350 3.102 1.00 11.13 C ATOM 1197 OE1 GLU A 70 -15.678 -7.539 4.332 1.00 11.21 O ATOM 1198 OE2 GLU A 70 -15.587 -8.280 2.292 1.00 22.22 O ATOM 0 H GLU A 70 -12.724 -3.682 2.484 1.00 73.32 H new ATOM 0 HA GLU A 70 -15.136 -3.818 0.967 1.00 23.42 H new ATOM 0 HB2 GLU A 70 -13.919 -5.753 1.919 1.00 72.44 H new ATOM 0 HB3 GLU A 70 -14.207 -5.145 3.537 1.00 72.44 H new ATOM 0 HG2 GLU A 70 -16.635 -5.431 3.228 1.00 33.52 H new ATOM 0 HG3 GLU A 70 -16.371 -5.999 1.591 1.00 33.52 H new ATOM 1205 N LYS A 71 -15.280 -2.558 4.025 1.00 21.12 N ATOM 1206 CA LYS A 71 -16.137 -1.805 4.959 1.00 62.21 C ATOM 1207 C LYS A 71 -16.422 -0.379 4.559 1.00 3.45 C ATOM 1208 O LYS A 71 -17.401 0.206 5.003 1.00 34.33 O ATOM 1209 CB LYS A 71 -15.657 -1.884 6.403 1.00 55.45 C ATOM 1210 CG LYS A 71 -16.175 -3.092 7.152 1.00 4.11 C ATOM 1211 CD LYS A 71 -15.722 -4.425 6.578 1.00 72.33 C ATOM 1212 CE LYS A 71 -16.394 -5.573 7.317 1.00 34.35 C ATOM 1213 NZ LYS A 71 -15.944 -6.891 6.841 1.00 65.34 N ATOM 0 H LYS A 71 -14.344 -2.752 4.381 1.00 21.12 H new ATOM 0 HA LYS A 71 -17.094 -2.323 4.893 1.00 62.21 H new ATOM 0 HB2 LYS A 71 -14.567 -1.901 6.414 1.00 55.45 H new ATOM 0 HB3 LYS A 71 -15.967 -0.981 6.929 1.00 55.45 H new ATOM 0 HG2 LYS A 71 -15.850 -3.028 8.191 1.00 4.11 H new ATOM 0 HG3 LYS A 71 -17.265 -3.063 7.156 1.00 4.11 H new ATOM 0 HD2 LYS A 71 -15.966 -4.474 5.517 1.00 72.33 H new ATOM 0 HD3 LYS A 71 -14.639 -4.515 6.660 1.00 72.33 H new ATOM 0 HE2 LYS A 71 -16.186 -5.485 8.383 1.00 34.35 H new ATOM 0 HE3 LYS A 71 -17.474 -5.496 7.195 1.00 34.35 H new ATOM 0 HZ1 LYS A 71 -16.515 -7.636 7.290 1.00 65.34 H new ATOM 0 HZ2 LYS A 71 -16.056 -6.944 5.808 1.00 65.34 H new ATOM 0 HZ3 LYS A 71 -14.943 -7.026 7.088 1.00 65.34 H new ATOM 1227 N ARG A 72 -15.569 0.194 3.774 1.00 34.01 N ATOM 1228 CA ARG A 72 -15.811 1.548 3.279 1.00 34.21 C ATOM 1229 C ARG A 72 -16.807 1.509 2.116 1.00 0.52 C ATOM 1230 O ARG A 72 -17.375 2.527 1.742 1.00 62.11 O ATOM 1231 CB ARG A 72 -14.510 2.238 2.826 1.00 30.22 C ATOM 1232 CG ARG A 72 -13.882 1.618 1.605 1.00 31.21 C ATOM 1233 CD ARG A 72 -12.627 2.341 1.181 1.00 1.32 C ATOM 1234 NE ARG A 72 -12.054 1.721 -0.023 1.00 14.22 N ATOM 1235 CZ ARG A 72 -10.825 1.919 -0.491 1.00 12.44 C ATOM 1236 NH1 ARG A 72 -10.033 2.823 0.068 1.00 65.34 N ATOM 1237 NH2 ARG A 72 -10.407 1.243 -1.548 1.00 15.32 N ATOM 0 H ARG A 72 -14.700 -0.233 3.453 1.00 34.01 H new ATOM 0 HA ARG A 72 -16.226 2.129 4.103 1.00 34.21 H new ATOM 0 HB2 ARG A 72 -14.720 3.288 2.621 1.00 30.22 H new ATOM 0 HB3 ARG A 72 -13.792 2.211 3.645 1.00 30.22 H new ATOM 0 HG2 ARG A 72 -13.646 0.574 1.810 1.00 31.21 H new ATOM 0 HG3 ARG A 72 -14.600 1.627 0.785 1.00 31.21 H new ATOM 0 HD2 ARG A 72 -12.853 3.389 0.984 1.00 1.32 H new ATOM 0 HD3 ARG A 72 -11.897 2.319 1.990 1.00 1.32 H new ATOM 0 HE ARG A 72 -12.653 1.082 -0.546 1.00 14.22 H new ATOM 0 HH11 ARG A 72 -10.365 3.371 0.861 1.00 65.34 H new ATOM 0 HH12 ARG A 72 -9.091 2.970 -0.295 1.00 65.34 H new ATOM 0 HH21 ARG A 72 -11.027 0.572 -2.002 1.00 15.32 H new ATOM 0 HH22 ARG A 72 -9.465 1.393 -1.909 1.00 15.32 H new ATOM 1251 N ARG A 73 -16.998 0.324 1.551 1.00 2.34 N ATOM 1252 CA ARG A 73 -17.906 0.132 0.435 1.00 61.44 C ATOM 1253 C ARG A 73 -19.222 -0.412 0.951 1.00 3.25 C ATOM 1254 O ARG A 73 -20.271 0.209 0.796 1.00 41.24 O ATOM 1255 CB ARG A 73 -17.274 -0.810 -0.591 1.00 1.33 C ATOM 1256 CG ARG A 73 -18.124 -1.099 -1.816 1.00 70.41 C ATOM 1257 CD ARG A 73 -17.357 -1.967 -2.799 1.00 12.03 C ATOM 1258 NE ARG A 73 -18.162 -2.363 -3.957 1.00 52.45 N ATOM 1259 CZ ARG A 73 -17.676 -2.932 -5.072 1.00 41.41 C ATOM 1260 NH1 ARG A 73 -16.363 -3.096 -5.236 1.00 64.41 N ATOM 1261 NH2 ARG A 73 -18.508 -3.330 -6.024 1.00 1.22 N ATOM 0 H ARG A 73 -16.527 -0.528 1.855 1.00 2.34 H new ATOM 0 HA ARG A 73 -18.098 1.084 -0.060 1.00 61.44 H new ATOM 0 HB2 ARG A 73 -16.327 -0.381 -0.919 1.00 1.33 H new ATOM 0 HB3 ARG A 73 -17.042 -1.754 -0.099 1.00 1.33 H new ATOM 0 HG2 ARG A 73 -19.044 -1.602 -1.518 1.00 70.41 H new ATOM 0 HG3 ARG A 73 -18.413 -0.164 -2.295 1.00 70.41 H new ATOM 0 HD2 ARG A 73 -16.476 -1.426 -3.143 1.00 12.03 H new ATOM 0 HD3 ARG A 73 -17.002 -2.861 -2.287 1.00 12.03 H new ATOM 0 HE ARG A 73 -19.167 -2.194 -3.913 1.00 52.45 H new ATOM 0 HH11 ARG A 73 -15.716 -2.788 -4.510 1.00 64.41 H new ATOM 0 HH12 ARG A 73 -16.006 -3.530 -6.087 1.00 64.41 H new ATOM 0 HH21 ARG A 73 -19.513 -3.204 -5.908 1.00 1.22 H new ATOM 0 HH22 ARG A 73 -18.143 -3.763 -6.872 1.00 1.22 H new