USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 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 Single : A 6 THR OG1 : rot 123:sc= -0.186 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 10:sc= 0.586 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -144:sc= -11.1! (180deg=-14.4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -1.73! (180deg=-1.97) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.263 (180deg=-0.524) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.465) USER MOD Single : A 46 GLN : amide:sc= -5.8 K(o=-5.8,f=-8!) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0541) USER MOD Single : A 50 TYR OH : rot 108:sc= 0.235 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.37 USER MOD Single : A 64 TYR OH : rot 113:sc= 1.25 USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0.0544 (180deg=0.019) USER MOD Single : A 70 ASN : amide:sc= -2.03 K(o=-2,f=-0.32) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.058 2.237 -4.641 1.00 0.00 N ATOM 61 CA ILE A 5 59.506 2.256 -4.584 1.00 0.00 C ATOM 62 C ILE A 5 59.954 1.013 -5.353 1.00 0.00 C ATOM 63 O ILE A 5 59.159 0.148 -5.588 1.00 0.00 O ATOM 64 CB ILE A 5 59.947 2.301 -3.096 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.277 3.745 -2.679 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.102 1.389 -2.794 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.416 3.880 -1.660 1.00 0.00 C ATOM 0 HA ILE A 5 59.969 3.131 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 5 59.104 1.936 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.538 4.314 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.379 4.201 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.361 1.467 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.823 0.361 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 5 61.961 1.676 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.574 4.933 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.154 3.344 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.330 3.459 -2.078 1.00 0.00 H new ATOM 79 N THR A 6 61.267 0.989 -5.709 1.00 0.00 N ATOM 80 CA THR A 6 61.878 -0.164 -6.351 1.00 0.00 C ATOM 81 C THR A 6 63.256 -0.375 -5.724 1.00 0.00 C ATOM 82 O THR A 6 64.022 0.562 -5.665 1.00 0.00 O ATOM 83 CB THR A 6 62.037 0.114 -7.854 1.00 0.00 C ATOM 84 OG1 THR A 6 60.815 0.472 -8.452 1.00 0.00 O ATOM 85 CG2 THR A 6 62.594 -1.094 -8.615 1.00 0.00 C ATOM 0 H THR A 6 61.908 1.767 -5.553 1.00 0.00 H new ATOM 0 HA THR A 6 61.258 -1.050 -6.217 1.00 0.00 H new ATOM 0 HB THR A 6 62.742 0.942 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.904 1.350 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.687 -0.846 -9.672 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.574 -1.355 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.917 -1.941 -8.499 1.00 0.00 H new ATOM 93 N LEU A 7 63.543 -1.622 -5.267 1.00 0.00 N ATOM 94 CA LEU A 7 64.845 -1.909 -4.666 1.00 0.00 C ATOM 95 C LEU A 7 65.411 -3.219 -5.200 1.00 0.00 C ATOM 96 O LEU A 7 64.706 -3.950 -5.860 1.00 0.00 O ATOM 97 CB LEU A 7 64.809 -2.038 -3.137 1.00 0.00 C ATOM 98 CG LEU A 7 64.103 -0.943 -2.343 1.00 0.00 C ATOM 99 CD1 LEU A 7 64.349 0.472 -2.857 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.623 -1.283 -2.240 1.00 0.00 C ATOM 0 H LEU A 7 62.902 -2.415 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 7 65.465 -1.054 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 7 64.333 -2.988 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.838 -2.097 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 7 64.543 -0.926 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.809 1.185 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 7 65.416 0.692 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 7 63.998 0.552 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 7 62.110 -0.506 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 7 62.194 -1.347 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 7 62.504 -2.240 -1.732 1.00 0.00 H new ATOM 112 N LYS A 8 66.706 -3.462 -4.842 1.00 0.00 N ATOM 113 CA LYS A 8 67.423 -4.669 -5.242 1.00 0.00 C ATOM 114 C LYS A 8 68.151 -5.290 -4.032 1.00 0.00 C ATOM 115 O LYS A 8 68.184 -4.730 -2.957 1.00 0.00 O ATOM 116 CB LYS A 8 68.408 -4.360 -6.383 1.00 0.00 C ATOM 117 CG LYS A 8 68.363 -5.375 -7.535 1.00 0.00 C ATOM 118 CD LYS A 8 68.135 -4.731 -8.908 1.00 0.00 C ATOM 119 CE LYS A 8 69.390 -4.643 -9.773 1.00 0.00 C ATOM 120 NZ LYS A 8 69.065 -4.898 -11.169 1.00 0.00 N ATOM 0 H LYS A 8 67.260 -2.822 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 8 66.700 -5.397 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.192 -3.367 -6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.420 -4.329 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.300 -5.932 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.568 -6.095 -7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.377 -5.303 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.735 -3.727 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.840 -3.655 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.129 -5.366 -9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 69.929 -4.834 -11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 68.657 -5.850 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.377 -4.192 -11.500 1.00 0.00 H new ATOM 218 N THR A 14 64.866 -8.080 -7.031 1.00 0.00 N ATOM 219 CA THR A 14 64.381 -6.706 -7.121 1.00 0.00 C ATOM 220 C THR A 14 62.904 -6.666 -6.720 1.00 0.00 C ATOM 221 O THR A 14 62.059 -7.266 -7.360 1.00 0.00 O ATOM 222 CB THR A 14 64.563 -6.132 -8.547 1.00 0.00 C ATOM 223 OG1 THR A 14 65.495 -6.898 -9.268 1.00 0.00 O ATOM 224 CG2 THR A 14 65.017 -4.669 -8.551 1.00 0.00 C ATOM 0 HA THR A 14 64.967 -6.087 -6.441 1.00 0.00 H new ATOM 0 HB THR A 14 63.582 -6.178 -9.020 1.00 0.00 H new ATOM 0 HG1 THR A 14 65.706 -7.713 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.127 -4.325 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 14 64.274 -4.056 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.974 -4.584 -8.036 1.00 0.00 H new ATOM 232 N PHE A 15 62.659 -5.913 -5.623 1.00 0.00 N ATOM 233 CA PHE A 15 61.320 -5.789 -5.080 1.00 0.00 C ATOM 234 C PHE A 15 60.990 -4.326 -4.784 1.00 0.00 C ATOM 235 O PHE A 15 61.774 -3.575 -4.237 1.00 0.00 O ATOM 236 CB PHE A 15 61.214 -6.617 -3.807 1.00 0.00 C ATOM 237 CG PHE A 15 62.472 -6.576 -2.972 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.787 -5.467 -2.190 1.00 0.00 C ATOM 239 CD2 PHE A 15 63.310 -7.683 -2.934 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.930 -5.456 -1.407 1.00 0.00 C ATOM 241 CE2 PHE A 15 64.422 -7.689 -2.121 1.00 0.00 C ATOM 242 CZ PHE A 15 64.748 -6.573 -1.364 1.00 0.00 C ATOM 0 H PHE A 15 63.374 -5.394 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 15 60.604 -6.157 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.377 -6.253 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.992 -7.651 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 15 62.134 -4.607 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 15 63.088 -8.545 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 15 64.183 -4.578 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 15 65.045 -8.570 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 15 65.633 -6.575 -0.746 1.00 0.00 H new ATOM 252 N LYS A 16 59.746 -4.006 -5.184 1.00 0.00 N ATOM 253 CA LYS A 16 59.186 -2.688 -4.979 1.00 0.00 C ATOM 254 C LYS A 16 58.349 -2.677 -3.701 1.00 0.00 C ATOM 255 O LYS A 16 57.821 -3.696 -3.291 1.00 0.00 O ATOM 256 CB LYS A 16 58.278 -2.387 -6.171 1.00 0.00 C ATOM 257 CG LYS A 16 59.057 -2.088 -7.463 1.00 0.00 C ATOM 258 CD LYS A 16 58.161 -2.047 -8.698 1.00 0.00 C ATOM 259 CE LYS A 16 57.019 -1.022 -8.575 1.00 0.00 C ATOM 260 NZ LYS A 16 57.093 0.052 -9.550 1.00 0.00 N ATOM 0 H LYS A 16 59.117 -4.658 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 16 59.979 -1.945 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.618 -3.237 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 16 57.644 -1.534 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 16 59.570 -1.132 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 16 59.826 -2.848 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 16 58.766 -1.806 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 16 57.737 -3.037 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 16 56.065 -1.538 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 16 57.033 -0.593 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 56.295 0.704 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 57.988 0.569 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 57.050 -0.347 -10.510 1.00 0.00 H new ATOM 274 N ILE A 17 58.264 -1.455 -3.121 1.00 0.00 N ATOM 275 CA ILE A 17 57.529 -1.273 -1.873 1.00 0.00 C ATOM 276 C ILE A 17 56.527 -0.123 -2.026 1.00 0.00 C ATOM 277 O ILE A 17 56.651 0.710 -2.894 1.00 0.00 O ATOM 278 CB ILE A 17 58.519 -0.985 -0.745 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.623 -2.059 -0.676 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.768 -0.856 0.578 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.157 -3.483 -0.341 1.00 0.00 C ATOM 0 H ILE A 17 58.689 -0.607 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 17 56.975 -2.180 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 17 59.020 -0.039 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 17 60.139 -2.083 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.355 -1.752 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.477 -0.651 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 17 57.050 -0.039 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.241 -1.786 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 17 60.017 -4.152 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.671 -3.487 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.452 -3.823 -1.099 1.00 0.00 H new ATOM 293 N ARG A 18 55.524 -0.139 -1.110 1.00 0.00 N ATOM 294 CA ARG A 18 54.506 0.891 -1.060 1.00 0.00 C ATOM 295 C ARG A 18 54.738 1.845 0.131 1.00 0.00 C ATOM 296 O ARG A 18 53.989 1.856 1.098 1.00 0.00 O ATOM 297 CB ARG A 18 53.141 0.215 -0.903 1.00 0.00 C ATOM 298 CG ARG A 18 51.988 1.195 -1.160 1.00 0.00 C ATOM 299 CD ARG A 18 50.883 1.087 -0.107 1.00 0.00 C ATOM 300 NE ARG A 18 50.188 -0.189 -0.217 1.00 0.00 N ATOM 301 CZ ARG A 18 49.172 -0.380 -1.089 1.00 0.00 C ATOM 302 NH1 ARG A 18 48.767 0.595 -1.900 1.00 0.00 N ATOM 303 NH2 ARG A 18 48.567 -1.561 -1.136 1.00 0.00 N ATOM 0 H ARG A 18 55.417 -0.866 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 18 54.548 1.476 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.068 -0.622 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.052 -0.196 0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.376 2.213 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.566 1.004 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.313 1.188 0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.174 1.905 -0.232 1.00 0.00 H new ATOM 0 HE ARG A 18 50.477 -0.962 0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 18 49.225 1.506 -1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.999 0.431 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 18 48.870 -2.314 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 18 47.800 -1.715 -1.790 1.00 0.00 H new ATOM 317 N MET A 19 55.807 2.651 -0.008 1.00 0.00 N ATOM 318 CA MET A 19 56.154 3.624 1.021 1.00 0.00 C ATOM 319 C MET A 19 55.950 5.047 0.483 1.00 0.00 C ATOM 320 O MET A 19 55.520 5.238 -0.642 1.00 0.00 O ATOM 321 CB MET A 19 57.610 3.417 1.397 1.00 0.00 C ATOM 322 CG MET A 19 58.551 3.688 0.213 1.00 0.00 C ATOM 323 SD MET A 19 59.534 5.154 0.538 1.00 0.00 S ATOM 324 CE MET A 19 60.421 4.494 1.952 1.00 0.00 C ATOM 0 H MET A 19 56.432 2.642 -0.814 1.00 0.00 H new ATOM 0 HA MET A 19 55.518 3.490 1.896 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.869 4.077 2.225 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.753 2.395 1.748 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.204 2.830 0.052 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.971 3.823 -0.700 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.581 5.286 2.683 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.838 3.693 2.406 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.384 4.101 1.626 1.00 0.00 H new ATOM 334 N GLU A 20 56.309 6.022 1.358 1.00 0.00 N ATOM 335 CA GLU A 20 56.163 7.432 1.019 1.00 0.00 C ATOM 336 C GLU A 20 57.562 8.063 0.849 1.00 0.00 C ATOM 337 O GLU A 20 58.460 7.789 1.635 1.00 0.00 O ATOM 338 CB GLU A 20 55.349 8.156 2.111 1.00 0.00 C ATOM 339 CG GLU A 20 54.161 8.956 1.533 1.00 0.00 C ATOM 340 CD GLU A 20 54.223 10.442 1.908 1.00 0.00 C ATOM 341 OE1 GLU A 20 53.676 10.811 2.947 1.00 0.00 O ATOM 342 OE2 GLU A 20 54.812 11.214 1.153 1.00 0.00 O ATOM 0 H GLU A 20 56.694 5.846 2.286 1.00 0.00 H new ATOM 0 HA GLU A 20 55.621 7.533 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.975 7.423 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 20 56.005 8.832 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 20 54.153 8.857 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 53.227 8.530 1.898 1.00 0.00 H new ATOM 349 N PRO A 21 57.737 8.941 -0.192 1.00 0.00 N ATOM 350 CA PRO A 21 59.000 9.653 -0.397 1.00 0.00 C ATOM 351 C PRO A 21 59.416 10.622 0.720 1.00 0.00 C ATOM 352 O PRO A 21 60.526 11.133 0.736 1.00 0.00 O ATOM 353 CB PRO A 21 58.774 10.481 -1.676 1.00 0.00 C ATOM 354 CG PRO A 21 57.596 9.815 -2.363 1.00 0.00 C ATOM 355 CD PRO A 21 56.755 9.235 -1.227 1.00 0.00 C ATOM 0 HA PRO A 21 59.800 8.914 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.558 11.523 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.659 10.476 -2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.024 10.533 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 21 57.928 9.034 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.006 9.946 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.221 8.338 -1.540 1.00 0.00 H new ATOM 363 N ASP A 22 58.457 10.843 1.648 1.00 0.00 N ATOM 364 CA ASP A 22 58.676 11.725 2.778 1.00 0.00 C ATOM 365 C ASP A 22 59.139 10.953 4.016 1.00 0.00 C ATOM 366 O ASP A 22 59.821 11.512 4.870 1.00 0.00 O ATOM 367 CB ASP A 22 57.384 12.493 3.104 1.00 0.00 C ATOM 368 CG ASP A 22 57.151 13.673 2.139 1.00 0.00 C ATOM 369 OD1 ASP A 22 58.101 14.398 1.844 1.00 0.00 O ATOM 370 OD2 ASP A 22 56.017 13.864 1.701 1.00 0.00 O ATOM 0 H ASP A 22 57.531 10.416 1.622 1.00 0.00 H new ATOM 0 HA ASP A 22 59.463 12.426 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.535 11.811 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 22 57.433 12.866 4.127 1.00 0.00 H new ATOM 375 N GLU A 23 58.760 9.653 4.076 1.00 0.00 N ATOM 376 CA GLU A 23 59.179 8.800 5.182 1.00 0.00 C ATOM 377 C GLU A 23 60.709 8.770 5.297 1.00 0.00 C ATOM 378 O GLU A 23 61.429 9.122 4.376 1.00 0.00 O ATOM 379 CB GLU A 23 58.644 7.367 5.001 1.00 0.00 C ATOM 380 CG GLU A 23 57.288 7.175 5.697 1.00 0.00 C ATOM 381 CD GLU A 23 57.411 7.126 7.238 1.00 0.00 C ATOM 382 OE1 GLU A 23 58.467 6.754 7.752 1.00 0.00 O ATOM 383 OE2 GLU A 23 56.439 7.465 7.910 1.00 0.00 O ATOM 0 H GLU A 23 58.176 9.192 3.379 1.00 0.00 H new ATOM 0 HA GLU A 23 58.764 9.218 6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.542 7.148 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 23 59.364 6.656 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.621 7.990 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.830 6.251 5.343 1.00 0.00 H new ATOM 390 N THR A 24 61.129 8.336 6.503 1.00 0.00 N ATOM 391 CA THR A 24 62.548 8.290 6.809 1.00 0.00 C ATOM 392 C THR A 24 63.185 6.968 6.388 1.00 0.00 C ATOM 393 O THR A 24 64.220 6.618 6.917 1.00 0.00 O ATOM 394 CB THR A 24 62.833 8.612 8.291 1.00 0.00 C ATOM 395 OG1 THR A 24 61.686 8.406 9.077 1.00 0.00 O ATOM 396 CG2 THR A 24 63.339 10.046 8.473 1.00 0.00 C ATOM 0 H THR A 24 60.514 8.023 7.254 1.00 0.00 H new ATOM 0 HA THR A 24 63.018 9.074 6.215 1.00 0.00 H new ATOM 0 HB THR A 24 63.618 7.932 8.622 1.00 0.00 H new ATOM 0 HG1 THR A 24 61.889 8.614 10.013 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.528 10.234 9.530 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.262 10.180 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.587 10.746 8.109 1.00 0.00 H new ATOM 404 N VAL A 25 62.572 6.249 5.420 1.00 0.00 N ATOM 405 CA VAL A 25 63.152 4.986 4.961 1.00 0.00 C ATOM 406 C VAL A 25 62.921 3.857 5.987 1.00 0.00 C ATOM 407 O VAL A 25 62.889 2.705 5.622 1.00 0.00 O ATOM 408 CB VAL A 25 64.660 5.071 4.576 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.215 3.754 4.001 1.00 0.00 C ATOM 410 CG2 VAL A 25 64.979 6.243 3.638 1.00 0.00 C ATOM 0 H VAL A 25 61.703 6.518 4.959 1.00 0.00 H new ATOM 0 HA VAL A 25 62.621 4.752 4.039 1.00 0.00 H new ATOM 0 HB VAL A 25 65.171 5.258 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.269 3.881 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.109 2.961 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.660 3.488 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.045 6.246 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.409 6.136 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.710 7.181 4.123 1.00 0.00 H new ATOM 420 N LYS A 26 62.747 4.203 7.282 1.00 0.00 N ATOM 421 CA LYS A 26 62.517 3.181 8.285 1.00 0.00 C ATOM 422 C LYS A 26 61.281 2.343 7.986 1.00 0.00 C ATOM 423 O LYS A 26 61.261 1.134 8.181 1.00 0.00 O ATOM 424 CB LYS A 26 62.388 3.794 9.679 1.00 0.00 C ATOM 425 CG LYS A 26 61.899 2.817 10.749 1.00 0.00 C ATOM 426 CD LYS A 26 62.232 3.327 12.152 1.00 0.00 C ATOM 427 CE LYS A 26 63.726 3.184 12.480 1.00 0.00 C ATOM 428 NZ LYS A 26 64.365 4.431 12.876 1.00 0.00 N ATOM 0 H LYS A 26 62.763 5.160 7.635 1.00 0.00 H new ATOM 0 HA LYS A 26 63.387 2.525 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.357 4.191 9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.699 4.638 9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 26 60.822 2.679 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 26 62.360 1.842 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 26 61.942 4.374 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 26 61.646 2.775 12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 26 63.844 2.456 13.283 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.243 2.783 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 65.370 4.256 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 64.285 5.123 12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 63.898 4.806 13.726 1.00 0.00 H new ATOM 442 N VAL A 27 60.261 3.062 7.492 1.00 0.00 N ATOM 443 CA VAL A 27 59.029 2.397 7.124 1.00 0.00 C ATOM 444 C VAL A 27 59.290 1.333 6.047 1.00 0.00 C ATOM 445 O VAL A 27 58.708 0.266 6.042 1.00 0.00 O ATOM 446 CB VAL A 27 57.990 3.439 6.669 1.00 0.00 C ATOM 447 CG1 VAL A 27 57.964 3.674 5.144 1.00 0.00 C ATOM 448 CG2 VAL A 27 56.599 3.089 7.198 1.00 0.00 C ATOM 0 H VAL A 27 60.273 4.071 7.346 1.00 0.00 H new ATOM 0 HA VAL A 27 58.624 1.878 7.993 1.00 0.00 H new ATOM 0 HB VAL A 27 58.307 4.386 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 57.207 4.421 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.941 4.028 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 27 57.726 2.740 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.883 3.840 6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.302 2.110 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 27 56.619 3.067 8.288 1.00 0.00 H new ATOM 458 N LEU A 28 60.223 1.708 5.144 1.00 0.00 N ATOM 459 CA LEU A 28 60.596 0.848 4.045 1.00 0.00 C ATOM 460 C LEU A 28 61.233 -0.426 4.540 1.00 0.00 C ATOM 461 O LEU A 28 61.004 -1.506 4.018 1.00 0.00 O ATOM 462 CB LEU A 28 61.641 1.546 3.184 1.00 0.00 C ATOM 463 CG LEU A 28 62.059 0.778 1.955 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.874 0.500 1.067 1.00 0.00 C ATOM 465 CD2 LEU A 28 63.189 1.459 1.198 1.00 0.00 C ATOM 0 H LEU A 28 60.718 2.599 5.171 1.00 0.00 H new ATOM 0 HA LEU A 28 59.688 0.625 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.249 2.515 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.524 1.739 3.793 1.00 0.00 H new ATOM 0 HG LEU A 28 62.457 -0.179 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.201 -0.055 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.139 -0.089 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.424 1.443 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.451 0.864 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.868 2.451 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 28 64.059 1.550 1.848 1.00 0.00 H new ATOM 477 N LYS A 29 62.059 -0.216 5.576 1.00 0.00 N ATOM 478 CA LYS A 29 62.730 -1.323 6.199 1.00 0.00 C ATOM 479 C LYS A 29 61.691 -2.363 6.634 1.00 0.00 C ATOM 480 O LYS A 29 61.855 -3.543 6.408 1.00 0.00 O ATOM 481 CB LYS A 29 63.538 -0.815 7.387 1.00 0.00 C ATOM 482 CG LYS A 29 64.481 0.346 7.087 1.00 0.00 C ATOM 483 CD LYS A 29 65.893 -0.106 6.815 1.00 0.00 C ATOM 484 CE LYS A 29 66.886 1.039 6.646 1.00 0.00 C ATOM 485 NZ LYS A 29 68.011 0.954 7.587 1.00 0.00 N ATOM 0 H LYS A 29 62.264 0.698 5.980 1.00 0.00 H new ATOM 0 HA LYS A 29 63.415 -1.798 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.846 -0.506 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.124 -1.643 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.108 0.898 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.481 1.036 7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.224 -0.743 7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 29 65.901 -0.717 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.269 1.035 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.369 1.988 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.543 1.848 7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.649 0.781 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.639 0.173 7.308 1.00 0.00 H new ATOM 499 N GLU A 30 60.591 -1.842 7.231 1.00 0.00 N ATOM 500 CA GLU A 30 59.523 -2.709 7.701 1.00 0.00 C ATOM 501 C GLU A 30 58.896 -3.538 6.567 1.00 0.00 C ATOM 502 O GLU A 30 58.572 -4.705 6.745 1.00 0.00 O ATOM 503 CB GLU A 30 58.438 -1.892 8.418 1.00 0.00 C ATOM 504 CG GLU A 30 58.948 -1.264 9.725 1.00 0.00 C ATOM 505 CD GLU A 30 57.799 -1.116 10.737 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.383 -2.129 11.300 1.00 0.00 O ATOM 507 OE2 GLU A 30 57.332 0.002 10.951 1.00 0.00 O ATOM 0 H GLU A 30 60.436 -0.846 7.389 1.00 0.00 H new ATOM 0 HA GLU A 30 59.973 -3.408 8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 30 58.081 -1.104 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.586 -2.536 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.737 -1.885 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.387 -0.288 9.519 1.00 0.00 H new ATOM 514 N LYS A 31 58.752 -2.876 5.404 1.00 0.00 N ATOM 515 CA LYS A 31 58.134 -3.509 4.249 1.00 0.00 C ATOM 516 C LYS A 31 59.030 -4.576 3.599 1.00 0.00 C ATOM 517 O LYS A 31 58.631 -5.719 3.443 1.00 0.00 O ATOM 518 CB LYS A 31 57.817 -2.437 3.222 1.00 0.00 C ATOM 519 CG LYS A 31 56.408 -1.856 3.330 1.00 0.00 C ATOM 520 CD LYS A 31 56.137 -1.212 4.683 1.00 0.00 C ATOM 521 CE LYS A 31 54.818 -0.441 4.728 1.00 0.00 C ATOM 522 NZ LYS A 31 54.491 0.217 3.469 1.00 0.00 N ATOM 0 H LYS A 31 59.055 -1.914 5.251 1.00 0.00 H new ATOM 0 HA LYS A 31 57.232 -4.014 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.540 -1.627 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.948 -2.856 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.265 -1.114 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.679 -2.648 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.125 -1.986 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 31 56.955 -0.534 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.013 -1.127 4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.870 0.308 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 53.693 0.868 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 55.317 0.751 3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 54.229 -0.498 2.761 1.00 0.00 H new ATOM 536 N ILE A 32 60.249 -4.145 3.208 1.00 0.00 N ATOM 537 CA ILE A 32 61.247 -5.031 2.624 1.00 0.00 C ATOM 538 C ILE A 32 61.514 -6.242 3.529 1.00 0.00 C ATOM 539 O ILE A 32 61.660 -7.365 3.065 1.00 0.00 O ATOM 540 CB ILE A 32 62.551 -4.249 2.363 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.373 -3.295 1.189 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.746 -5.156 2.091 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.359 -2.137 1.183 1.00 0.00 C ATOM 0 H ILE A 32 60.556 -3.176 3.293 1.00 0.00 H new ATOM 0 HA ILE A 32 60.862 -5.407 1.676 1.00 0.00 H new ATOM 0 HB ILE A 32 62.760 -3.692 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.478 -3.854 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.359 -2.896 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.633 -4.547 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.915 -5.803 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.546 -5.768 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 32 63.169 -1.502 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.239 -1.552 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.376 -2.525 1.132 1.00 0.00 H new ATOM 555 N GLU A 33 61.571 -5.940 4.838 1.00 0.00 N ATOM 556 CA GLU A 33 61.792 -6.977 5.828 1.00 0.00 C ATOM 557 C GLU A 33 60.570 -7.897 5.932 1.00 0.00 C ATOM 558 O GLU A 33 60.681 -9.076 6.189 1.00 0.00 O ATOM 559 CB GLU A 33 62.089 -6.352 7.196 1.00 0.00 C ATOM 560 CG GLU A 33 62.826 -7.291 8.153 1.00 0.00 C ATOM 561 CD GLU A 33 61.955 -7.854 9.282 1.00 0.00 C ATOM 562 OE1 GLU A 33 61.138 -8.734 9.020 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.115 -7.412 10.419 1.00 0.00 O ATOM 0 H GLU A 33 61.468 -4.999 5.218 1.00 0.00 H new ATOM 0 HA GLU A 33 62.650 -7.570 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.686 -5.452 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.151 -6.042 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.240 -8.121 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.668 -6.755 8.592 1.00 0.00 H new ATOM 570 N ALA A 34 59.386 -7.294 5.706 1.00 0.00 N ATOM 571 CA ALA A 34 58.159 -8.073 5.718 1.00 0.00 C ATOM 572 C ALA A 34 58.047 -8.993 4.492 1.00 0.00 C ATOM 573 O ALA A 34 57.403 -10.034 4.534 1.00 0.00 O ATOM 574 CB ALA A 34 56.952 -7.136 5.788 1.00 0.00 C ATOM 0 H ALA A 34 59.266 -6.298 5.519 1.00 0.00 H new ATOM 0 HA ALA A 34 58.180 -8.712 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.035 -7.724 5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.008 -6.538 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 34 56.952 -6.477 4.920 1.00 0.00 H new ATOM 580 N GLU A 35 58.714 -8.559 3.408 1.00 0.00 N ATOM 581 CA GLU A 35 58.716 -9.331 2.186 1.00 0.00 C ATOM 582 C GLU A 35 59.635 -10.550 2.341 1.00 0.00 C ATOM 583 O GLU A 35 59.275 -11.665 1.982 1.00 0.00 O ATOM 584 CB GLU A 35 59.171 -8.417 1.052 1.00 0.00 C ATOM 585 CG GLU A 35 59.514 -9.184 -0.235 1.00 0.00 C ATOM 586 CD GLU A 35 60.488 -8.429 -1.109 1.00 0.00 C ATOM 587 OE1 GLU A 35 60.876 -7.315 -0.758 1.00 0.00 O ATOM 588 OE2 GLU A 35 60.853 -8.999 -2.133 1.00 0.00 O ATOM 0 H GLU A 35 59.246 -7.690 3.367 1.00 0.00 H new ATOM 0 HA GLU A 35 57.719 -9.708 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.385 -7.693 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.045 -7.852 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 35 59.938 -10.154 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.599 -9.376 -0.796 1.00 0.00 H new ATOM 595 N LYS A 36 60.845 -10.265 2.865 1.00 0.00 N ATOM 596 CA LYS A 36 61.867 -11.291 2.966 1.00 0.00 C ATOM 597 C LYS A 36 61.911 -11.883 4.376 1.00 0.00 C ATOM 598 O LYS A 36 61.626 -13.052 4.586 1.00 0.00 O ATOM 599 CB LYS A 36 63.213 -10.710 2.539 1.00 0.00 C ATOM 600 CG LYS A 36 63.862 -11.512 1.398 1.00 0.00 C ATOM 601 CD LYS A 36 63.935 -13.029 1.591 1.00 0.00 C ATOM 602 CE LYS A 36 64.991 -13.670 0.677 1.00 0.00 C ATOM 603 NZ LYS A 36 65.098 -12.999 -0.607 1.00 0.00 N ATOM 0 H LYS A 36 61.121 -9.347 3.215 1.00 0.00 H new ATOM 0 HA LYS A 36 61.625 -12.114 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.075 -9.677 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.886 -10.692 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.309 -11.310 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.875 -11.137 1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 64.171 -13.252 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 36 62.960 -13.469 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 36 65.960 -13.649 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 36 64.739 -14.718 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 65.563 -13.630 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 64.148 -12.755 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 65.661 -12.131 -0.499 1.00 0.00 H new ATOM 617 N GLY A 37 62.292 -10.998 5.320 1.00 0.00 N ATOM 618 CA GLY A 37 62.354 -11.366 6.724 1.00 0.00 C ATOM 619 C GLY A 37 63.561 -10.701 7.370 1.00 0.00 C ATOM 620 O GLY A 37 64.338 -10.015 6.729 1.00 0.00 O ATOM 0 H GLY A 37 62.557 -10.033 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.440 -11.058 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.425 -12.449 6.824 1.00 0.00 H new ATOM 624 N ARG A 38 63.666 -10.971 8.692 1.00 0.00 N ATOM 625 CA ARG A 38 64.779 -10.441 9.465 1.00 0.00 C ATOM 626 C ARG A 38 66.110 -11.151 9.142 1.00 0.00 C ATOM 627 O ARG A 38 67.174 -10.740 9.580 1.00 0.00 O ATOM 628 CB ARG A 38 64.470 -10.549 10.965 1.00 0.00 C ATOM 629 CG ARG A 38 64.514 -11.986 11.529 1.00 0.00 C ATOM 630 CD ARG A 38 64.566 -12.018 13.060 1.00 0.00 C ATOM 631 NE ARG A 38 63.725 -10.973 13.628 1.00 0.00 N ATOM 632 CZ ARG A 38 63.926 -10.467 14.864 1.00 0.00 C ATOM 633 NH1 ARG A 38 64.893 -10.934 15.650 1.00 0.00 N ATOM 634 NH2 ARG A 38 63.147 -9.482 15.298 1.00 0.00 N ATOM 0 H ARG A 38 63.005 -11.539 9.222 1.00 0.00 H new ATOM 0 HA ARG A 38 64.900 -9.394 9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 38 65.184 -9.935 11.515 1.00 0.00 H new ATOM 0 HB3 ARG A 38 63.481 -10.130 11.150 1.00 0.00 H new ATOM 0 HG2 ARG A 38 63.635 -12.533 11.188 1.00 0.00 H new ATOM 0 HG3 ARG A 38 65.386 -12.503 11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 38 64.235 -12.993 13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 38 65.594 -11.886 13.396 1.00 0.00 H new ATOM 0 HE ARG A 38 62.953 -10.609 13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 38 65.498 -11.687 15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 38 65.029 -10.539 16.580 1.00 0.00 H new ATOM 0 HH21 ARG A 38 62.407 -9.116 14.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 63.289 -9.092 16.230 1.00 0.00 H new ATOM 648 N ASP A 39 65.987 -12.258 8.378 1.00 0.00 N ATOM 649 CA ASP A 39 67.145 -13.055 8.011 1.00 0.00 C ATOM 650 C ASP A 39 67.736 -12.564 6.696 1.00 0.00 C ATOM 651 O ASP A 39 68.944 -12.595 6.489 1.00 0.00 O ATOM 652 CB ASP A 39 66.735 -14.541 7.909 1.00 0.00 C ATOM 653 CG ASP A 39 67.169 -15.389 9.126 1.00 0.00 C ATOM 654 OD1 ASP A 39 67.684 -14.845 10.104 1.00 0.00 O ATOM 655 OD2 ASP A 39 66.989 -16.604 9.076 1.00 0.00 O ATOM 0 H ASP A 39 65.100 -12.606 8.013 1.00 0.00 H new ATOM 0 HA ASP A 39 67.911 -12.952 8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.652 -14.604 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.171 -14.968 7.006 1.00 0.00 H new ATOM 660 N ALA A 40 66.823 -12.108 5.824 1.00 0.00 N ATOM 661 CA ALA A 40 67.265 -11.610 4.544 1.00 0.00 C ATOM 662 C ALA A 40 67.688 -10.150 4.674 1.00 0.00 C ATOM 663 O ALA A 40 68.836 -9.802 4.424 1.00 0.00 O ATOM 664 CB ALA A 40 66.147 -11.797 3.539 1.00 0.00 C ATOM 0 H ALA A 40 65.816 -12.079 5.985 1.00 0.00 H new ATOM 0 HA ALA A 40 68.136 -12.164 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.467 -11.425 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 40 65.902 -12.856 3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.266 -11.245 3.867 1.00 0.00 H new ATOM 670 N PHE A 41 66.690 -9.324 5.064 1.00 0.00 N ATOM 671 CA PHE A 41 66.904 -7.891 5.181 1.00 0.00 C ATOM 672 C PHE A 41 66.270 -7.405 6.501 1.00 0.00 C ATOM 673 O PHE A 41 65.140 -6.944 6.518 1.00 0.00 O ATOM 674 CB PHE A 41 66.307 -7.116 3.991 1.00 0.00 C ATOM 675 CG PHE A 41 66.341 -7.848 2.691 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.536 -8.310 2.157 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.155 -8.084 2.014 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.532 -9.072 1.003 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.153 -8.796 0.839 1.00 0.00 C ATOM 680 CZ PHE A 41 66.333 -9.323 0.352 1.00 0.00 C ATOM 0 H PHE A 41 65.747 -9.634 5.297 1.00 0.00 H new ATOM 0 HA PHE A 41 67.977 -7.701 5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.273 -6.862 4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.848 -6.177 3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.471 -8.074 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.226 -7.705 2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.457 -9.469 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.230 -8.943 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.322 -9.933 -0.539 1.00 0.00 H new ATOM 690 N PRO A 42 67.041 -7.509 7.617 1.00 0.00 N ATOM 691 CA PRO A 42 66.594 -6.996 8.908 1.00 0.00 C ATOM 692 C PRO A 42 66.756 -5.483 8.913 1.00 0.00 C ATOM 693 O PRO A 42 67.842 -4.992 8.640 1.00 0.00 O ATOM 694 CB PRO A 42 67.575 -7.602 9.910 1.00 0.00 C ATOM 695 CG PRO A 42 68.850 -7.865 9.101 1.00 0.00 C ATOM 696 CD PRO A 42 68.379 -8.085 7.661 1.00 0.00 C ATOM 0 HA PRO A 42 65.555 -7.238 9.130 1.00 0.00 H new ATOM 0 HB2 PRO A 42 67.766 -6.920 10.738 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.182 -8.523 10.340 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.537 -7.021 9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.382 -8.739 9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.044 -7.597 6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.362 -9.145 7.407 1.00 0.00 H new ATOM 704 N VAL A 43 65.634 -4.776 9.212 1.00 0.00 N ATOM 705 CA VAL A 43 65.578 -3.309 9.255 1.00 0.00 C ATOM 706 C VAL A 43 66.815 -2.628 9.871 1.00 0.00 C ATOM 707 O VAL A 43 67.208 -1.533 9.506 1.00 0.00 O ATOM 708 CB VAL A 43 64.301 -2.846 9.984 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.031 -3.315 9.267 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.274 -3.288 11.446 1.00 0.00 C ATOM 0 H VAL A 43 64.742 -5.221 9.430 1.00 0.00 H new ATOM 0 HA VAL A 43 65.562 -2.992 8.212 1.00 0.00 H new ATOM 0 HB VAL A 43 64.323 -1.756 9.964 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.155 -2.967 9.814 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.013 -2.908 8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.021 -4.404 9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.355 -2.937 11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.316 -4.376 11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.132 -2.867 11.969 1.00 0.00 H new ATOM 720 N ALA A 44 67.418 -3.367 10.823 1.00 0.00 N ATOM 721 CA ALA A 44 68.632 -2.930 11.464 1.00 0.00 C ATOM 722 C ALA A 44 69.759 -2.677 10.438 1.00 0.00 C ATOM 723 O ALA A 44 70.212 -1.552 10.253 1.00 0.00 O ATOM 724 CB ALA A 44 69.029 -3.970 12.521 1.00 0.00 C ATOM 0 H ALA A 44 67.069 -4.267 11.152 1.00 0.00 H new ATOM 0 HA ALA A 44 68.462 -1.973 11.957 1.00 0.00 H new ATOM 0 HB1 ALA A 44 69.947 -3.654 13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.232 -4.061 13.259 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.190 -4.935 12.040 1.00 0.00 H new ATOM 730 N GLY A 45 70.166 -3.781 9.775 1.00 0.00 N ATOM 731 CA GLY A 45 71.249 -3.712 8.811 1.00 0.00 C ATOM 732 C GLY A 45 70.789 -3.343 7.399 1.00 0.00 C ATOM 733 O GLY A 45 71.606 -3.257 6.493 1.00 0.00 O ATOM 0 H GLY A 45 69.760 -4.709 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 45 71.980 -2.977 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.757 -4.676 8.778 1.00 0.00 H new ATOM 737 N GLN A 46 69.455 -3.154 7.243 1.00 0.00 N ATOM 738 CA GLN A 46 68.889 -2.896 5.931 1.00 0.00 C ATOM 739 C GLN A 46 69.384 -1.544 5.403 1.00 0.00 C ATOM 740 O GLN A 46 68.785 -0.532 5.636 1.00 0.00 O ATOM 741 CB GLN A 46 67.365 -2.845 6.014 1.00 0.00 C ATOM 742 CG GLN A 46 66.663 -4.199 5.934 1.00 0.00 C ATOM 743 CD GLN A 46 65.653 -4.203 4.791 1.00 0.00 C ATOM 744 OE1 GLN A 46 65.991 -3.915 3.651 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.421 -4.566 5.176 1.00 0.00 N ATOM 0 H GLN A 46 68.777 -3.178 8.005 1.00 0.00 H new ATOM 0 HA GLN A 46 69.200 -3.699 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.084 -2.363 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.994 -2.213 5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.398 -4.989 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.158 -4.411 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.237 -4.788 6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.668 -4.620 4.490 1.00 0.00 H new ATOM 754 N LYS A 47 70.505 -1.579 4.668 1.00 0.00 N ATOM 755 CA LYS A 47 71.033 -0.350 4.104 1.00 0.00 C ATOM 756 C LYS A 47 70.552 -0.300 2.664 1.00 0.00 C ATOM 757 O LYS A 47 70.135 -1.300 2.127 1.00 0.00 O ATOM 758 CB LYS A 47 72.564 -0.345 4.188 1.00 0.00 C ATOM 759 CG LYS A 47 73.093 0.696 5.167 1.00 0.00 C ATOM 760 CD LYS A 47 73.320 0.090 6.552 1.00 0.00 C ATOM 761 CE LYS A 47 73.804 1.133 7.556 1.00 0.00 C ATOM 762 NZ LYS A 47 72.696 1.764 8.256 1.00 0.00 N ATOM 0 H LYS A 47 71.042 -2.421 4.460 1.00 0.00 H new ATOM 0 HA LYS A 47 70.688 0.528 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.911 -1.333 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.978 -0.151 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 47 74.029 1.110 4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 47 72.386 1.522 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 47 72.392 -0.356 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.053 -0.714 6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 47 74.469 0.660 8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 47 74.387 1.894 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 73.055 2.546 8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 72.014 2.134 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 72.226 1.064 8.865 1.00 0.00 H new ATOM 776 N LEU A 48 70.612 0.930 2.109 1.00 0.00 N ATOM 777 CA LEU A 48 70.174 1.147 0.737 1.00 0.00 C ATOM 778 C LEU A 48 71.156 2.132 0.089 1.00 0.00 C ATOM 779 O LEU A 48 71.737 2.946 0.772 1.00 0.00 O ATOM 780 CB LEU A 48 68.724 1.646 0.744 1.00 0.00 C ATOM 781 CG LEU A 48 67.670 0.595 1.153 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.511 0.531 2.687 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.301 0.862 0.528 1.00 0.00 C ATOM 0 H LEU A 48 70.954 1.763 2.588 1.00 0.00 H new ATOM 0 HA LEU A 48 70.179 0.229 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.652 2.494 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.479 2.015 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 48 68.040 -0.359 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.762 -0.218 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.465 0.261 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.194 1.505 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.598 0.093 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.940 1.840 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.387 0.844 -0.558 1.00 0.00 H new ATOM 795 N ILE A 49 71.357 1.964 -1.254 1.00 0.00 N ATOM 796 CA ILE A 49 72.335 2.783 -1.977 1.00 0.00 C ATOM 797 C ILE A 49 71.697 3.486 -3.190 1.00 0.00 C ATOM 798 O ILE A 49 71.284 2.835 -4.133 1.00 0.00 O ATOM 799 CB ILE A 49 73.550 1.977 -2.506 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.931 0.760 -1.665 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.772 2.864 -2.770 1.00 0.00 C ATOM 802 CD1 ILE A 49 74.100 1.080 -0.194 1.00 0.00 C ATOM 0 H ILE A 49 70.861 1.283 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 49 72.681 3.506 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 49 73.201 1.578 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 49 73.164 -0.006 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.861 0.339 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.594 2.251 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.520 3.619 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 49 75.072 3.355 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.370 0.173 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.887 1.824 -0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 49 73.164 1.474 0.203 1.00 0.00 H new ATOM 814 N TYR A 50 71.645 4.838 -3.118 1.00 0.00 N ATOM 815 CA TYR A 50 71.033 5.616 -4.191 1.00 0.00 C ATOM 816 C TYR A 50 72.070 6.579 -4.754 1.00 0.00 C ATOM 817 O TYR A 50 72.525 7.481 -4.070 1.00 0.00 O ATOM 818 CB TYR A 50 69.844 6.424 -3.654 1.00 0.00 C ATOM 819 CG TYR A 50 68.879 6.775 -4.759 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.869 5.898 -5.139 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.973 7.999 -5.408 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.962 6.233 -6.125 1.00 0.00 C ATOM 823 CE2 TYR A 50 68.054 8.349 -6.392 1.00 0.00 C ATOM 824 CZ TYR A 50 67.043 7.470 -6.739 1.00 0.00 C ATOM 825 OH TYR A 50 66.105 7.833 -7.677 1.00 0.00 O ATOM 0 H TYR A 50 72.013 5.390 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 50 70.680 4.937 -4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.327 5.849 -2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.206 7.336 -3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.792 4.936 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.766 8.685 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 50 66.193 5.533 -6.415 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.130 9.307 -6.885 1.00 0.00 H new ATOM 0 HH TYR A 50 65.514 8.518 -7.300 1.00 0.00 H new ATOM 835 N ALA A 51 72.397 6.346 -6.043 1.00 0.00 N ATOM 836 CA ALA A 51 73.348 7.205 -6.739 1.00 0.00 C ATOM 837 C ALA A 51 74.777 7.040 -6.175 1.00 0.00 C ATOM 838 O ALA A 51 75.566 7.977 -6.148 1.00 0.00 O ATOM 839 CB ALA A 51 72.884 8.681 -6.715 1.00 0.00 C ATOM 0 H ALA A 51 72.019 5.583 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 51 73.381 6.891 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.611 9.300 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.914 8.765 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.799 9.019 -5.682 1.00 0.00 H new ATOM 845 N GLY A 52 75.051 5.801 -5.702 1.00 0.00 N ATOM 846 CA GLY A 52 76.343 5.513 -5.093 1.00 0.00 C ATOM 847 C GLY A 52 76.427 5.912 -3.604 1.00 0.00 C ATOM 848 O GLY A 52 77.375 5.559 -2.916 1.00 0.00 O ATOM 0 H GLY A 52 74.404 5.013 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.550 4.447 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 77.121 6.039 -5.646 1.00 0.00 H new ATOM 852 N LYS A 53 75.394 6.659 -3.143 1.00 0.00 N ATOM 853 CA LYS A 53 75.317 7.124 -1.760 1.00 0.00 C ATOM 854 C LYS A 53 74.607 6.059 -0.918 1.00 0.00 C ATOM 855 O LYS A 53 74.009 5.179 -1.464 1.00 0.00 O ATOM 856 CB LYS A 53 74.503 8.422 -1.714 1.00 0.00 C ATOM 857 CG LYS A 53 75.357 9.643 -1.412 1.00 0.00 C ATOM 858 CD LYS A 53 76.117 10.134 -2.649 1.00 0.00 C ATOM 859 CE LYS A 53 75.937 11.638 -2.852 1.00 0.00 C ATOM 860 NZ LYS A 53 76.960 12.210 -3.710 1.00 0.00 N ATOM 0 H LYS A 53 74.605 6.947 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 53 76.319 7.301 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 53 74.000 8.564 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.726 8.331 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 53 74.722 10.445 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.068 9.401 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 53 77.177 9.904 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 53 75.763 9.601 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 53 74.955 11.828 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 53 75.959 12.137 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 76.793 13.231 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 77.896 12.054 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 76.924 11.755 -4.644 1.00 0.00 H new ATOM 874 N ILE A 54 74.696 6.213 0.431 1.00 0.00 N ATOM 875 CA ILE A 54 74.071 5.278 1.374 1.00 0.00 C ATOM 876 C ILE A 54 72.958 6.015 2.127 1.00 0.00 C ATOM 877 O ILE A 54 73.027 7.194 2.327 1.00 0.00 O ATOM 878 CB ILE A 54 75.123 4.778 2.391 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.851 3.538 1.850 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.574 4.514 3.816 1.00 0.00 C ATOM 881 CD1 ILE A 54 75.202 2.231 2.323 1.00 0.00 C ATOM 0 H ILE A 54 75.198 6.980 0.878 1.00 0.00 H new ATOM 0 HA ILE A 54 73.663 4.426 0.831 1.00 0.00 H new ATOM 0 HB ILE A 54 75.829 5.601 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.853 3.567 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.892 3.561 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.383 4.167 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.158 5.436 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.795 3.753 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 54 75.752 1.383 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 54 75.224 2.187 3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 54 74.168 2.193 1.979 1.00 0.00 H new ATOM 893 N LEU A 55 71.972 5.187 2.569 1.00 0.00 N ATOM 894 CA LEU A 55 70.817 5.656 3.307 1.00 0.00 C ATOM 895 C LEU A 55 70.406 4.586 4.338 1.00 0.00 C ATOM 896 O LEU A 55 70.400 3.400 4.068 1.00 0.00 O ATOM 897 CB LEU A 55 69.646 5.939 2.353 1.00 0.00 C ATOM 898 CG LEU A 55 69.474 4.946 1.206 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.993 4.854 0.834 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.304 5.301 -0.043 1.00 0.00 C ATOM 0 H LEU A 55 71.977 4.179 2.412 1.00 0.00 H new ATOM 0 HA LEU A 55 71.074 6.583 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.724 5.958 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.778 6.935 1.931 1.00 0.00 H new ATOM 0 HG LEU A 55 69.845 3.984 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.867 4.146 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.421 4.515 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.634 5.835 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.133 4.553 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 55 70.004 6.282 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.362 5.319 0.217 1.00 0.00 H new ATOM 912 N SER A 56 70.063 5.124 5.532 1.00 0.00 N ATOM 913 CA SER A 56 69.610 4.327 6.668 1.00 0.00 C ATOM 914 C SER A 56 68.125 4.628 6.922 1.00 0.00 C ATOM 915 O SER A 56 67.521 5.489 6.314 1.00 0.00 O ATOM 916 CB SER A 56 70.495 4.661 7.885 1.00 0.00 C ATOM 917 OG SER A 56 69.992 4.203 9.116 1.00 0.00 O ATOM 0 H SER A 56 70.097 6.125 5.722 1.00 0.00 H new ATOM 0 HA SER A 56 69.701 3.259 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.484 4.230 7.728 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.623 5.742 7.939 1.00 0.00 H new ATOM 0 HG SER A 56 70.610 4.452 9.835 1.00 0.00 H new ATOM 923 N ASP A 57 67.590 3.845 7.878 1.00 0.00 N ATOM 924 CA ASP A 57 66.208 3.925 8.319 1.00 0.00 C ATOM 925 C ASP A 57 65.826 5.281 8.926 1.00 0.00 C ATOM 926 O ASP A 57 64.660 5.588 9.080 1.00 0.00 O ATOM 927 CB ASP A 57 65.944 2.793 9.337 1.00 0.00 C ATOM 928 CG ASP A 57 66.791 2.808 10.626 1.00 0.00 C ATOM 929 OD1 ASP A 57 67.590 3.720 10.831 1.00 0.00 O ATOM 930 OD2 ASP A 57 66.636 1.883 11.420 1.00 0.00 O ATOM 0 H ASP A 57 68.127 3.129 8.367 1.00 0.00 H new ATOM 0 HA ASP A 57 65.582 3.812 7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 57 64.892 2.829 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.106 1.839 8.835 1.00 0.00 H new ATOM 935 N ASP A 58 66.847 6.084 9.275 1.00 0.00 N ATOM 936 CA ASP A 58 66.553 7.357 9.904 1.00 0.00 C ATOM 937 C ASP A 58 66.591 8.514 8.895 1.00 0.00 C ATOM 938 O ASP A 58 66.188 9.628 9.215 1.00 0.00 O ATOM 939 CB ASP A 58 67.547 7.581 11.054 1.00 0.00 C ATOM 940 CG ASP A 58 66.916 8.412 12.187 1.00 0.00 C ATOM 941 OD1 ASP A 58 65.892 7.992 12.727 1.00 0.00 O ATOM 942 OD2 ASP A 58 67.453 9.468 12.519 1.00 0.00 O ATOM 0 H ASP A 58 67.836 5.877 9.135 1.00 0.00 H new ATOM 0 HA ASP A 58 65.538 7.332 10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.875 6.618 11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.434 8.091 10.677 1.00 0.00 H new ATOM 947 N VAL A 59 67.098 8.214 7.677 1.00 0.00 N ATOM 948 CA VAL A 59 67.284 9.252 6.670 1.00 0.00 C ATOM 949 C VAL A 59 66.027 9.359 5.793 1.00 0.00 C ATOM 950 O VAL A 59 65.367 8.354 5.571 1.00 0.00 O ATOM 951 CB VAL A 59 68.506 8.949 5.780 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.661 8.330 6.574 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.168 8.061 4.577 1.00 0.00 C ATOM 0 H VAL A 59 67.377 7.278 7.384 1.00 0.00 H new ATOM 0 HA VAL A 59 67.456 10.197 7.185 1.00 0.00 H new ATOM 0 HB VAL A 59 68.825 9.918 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.499 8.134 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 59 69.975 9.020 7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.332 7.394 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.070 7.884 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.771 7.108 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.423 8.558 3.956 1.00 0.00 H new ATOM 963 N PRO A 60 65.715 10.551 5.237 1.00 0.00 N ATOM 964 CA PRO A 60 64.547 10.740 4.382 1.00 0.00 C ATOM 965 C PRO A 60 64.774 10.178 2.971 1.00 0.00 C ATOM 966 O PRO A 60 65.849 10.308 2.413 1.00 0.00 O ATOM 967 CB PRO A 60 64.322 12.256 4.358 1.00 0.00 C ATOM 968 CG PRO A 60 65.454 12.864 5.199 1.00 0.00 C ATOM 969 CD PRO A 60 66.498 11.770 5.381 1.00 0.00 C ATOM 0 HA PRO A 60 63.677 10.204 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.345 12.638 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.347 12.513 4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.885 13.731 4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.079 13.206 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.287 11.835 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.980 11.829 6.357 1.00 0.00 H new ATOM 977 N ILE A 61 63.720 9.542 2.426 1.00 0.00 N ATOM 978 CA ILE A 61 63.770 9.057 1.049 1.00 0.00 C ATOM 979 C ILE A 61 63.968 10.221 0.062 1.00 0.00 C ATOM 980 O ILE A 61 64.621 10.090 -0.962 1.00 0.00 O ATOM 981 CB ILE A 61 62.463 8.323 0.719 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.258 7.120 1.645 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.375 7.898 -0.752 1.00 0.00 C ATOM 984 CD1 ILE A 61 62.930 5.835 1.138 1.00 0.00 C ATOM 0 H ILE A 61 62.843 9.358 2.913 1.00 0.00 H new ATOM 0 HA ILE A 61 64.615 8.376 0.953 1.00 0.00 H new ATOM 0 HB ILE A 61 61.657 9.036 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.651 7.361 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.189 6.940 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.430 7.384 -0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.431 8.780 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 61 63.202 7.227 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.744 5.025 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.520 5.570 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.004 5.997 1.047 1.00 0.00 H new ATOM 996 N ARG A 62 63.367 11.367 0.438 1.00 0.00 N ATOM 997 CA ARG A 62 63.485 12.566 -0.370 1.00 0.00 C ATOM 998 C ARG A 62 64.952 13.022 -0.473 1.00 0.00 C ATOM 999 O ARG A 62 65.367 13.576 -1.485 1.00 0.00 O ATOM 1000 CB ARG A 62 62.565 13.662 0.201 1.00 0.00 C ATOM 1001 CG ARG A 62 63.105 15.097 0.058 1.00 0.00 C ATOM 1002 CD ARG A 62 62.014 16.133 -0.153 1.00 0.00 C ATOM 1003 NE ARG A 62 62.617 17.338 -0.702 1.00 0.00 N ATOM 1004 CZ ARG A 62 61.862 18.371 -1.121 1.00 0.00 C ATOM 1005 NH1 ARG A 62 60.538 18.325 -1.019 1.00 0.00 N ATOM 1006 NH2 ARG A 62 62.450 19.444 -1.643 1.00 0.00 N ATOM 0 H ARG A 62 62.807 11.474 1.284 1.00 0.00 H new ATOM 0 HA ARG A 62 63.160 12.352 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.598 13.601 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 62 62.392 13.457 1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.673 15.355 0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.799 15.134 -0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 62 61.253 15.748 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 62 61.516 16.355 0.791 1.00 0.00 H new ATOM 0 HE ARG A 62 63.633 17.401 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 62 60.085 17.502 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 62 59.974 19.112 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 62 63.466 19.480 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 62 61.885 20.231 -1.963 1.00 0.00 H new ATOM 1020 N ASP A 63 65.703 12.755 0.617 1.00 0.00 N ATOM 1021 CA ASP A 63 67.115 13.121 0.647 1.00 0.00 C ATOM 1022 C ASP A 63 67.905 12.429 -0.482 1.00 0.00 C ATOM 1023 O ASP A 63 68.919 12.934 -0.945 1.00 0.00 O ATOM 1024 CB ASP A 63 67.713 12.783 2.024 1.00 0.00 C ATOM 1025 CG ASP A 63 69.205 13.158 2.138 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.556 14.292 1.823 1.00 0.00 O ATOM 1027 OD2 ASP A 63 70.005 12.313 2.533 1.00 0.00 O ATOM 0 H ASP A 63 65.357 12.299 1.461 1.00 0.00 H new ATOM 0 HA ASP A 63 67.193 14.195 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 63 67.151 13.307 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.596 11.716 2.213 1.00 0.00 H new ATOM 1032 N TYR A 64 67.370 11.261 -0.893 1.00 0.00 N ATOM 1033 CA TYR A 64 67.990 10.467 -1.935 1.00 0.00 C ATOM 1034 C TYR A 64 67.080 10.358 -3.154 1.00 0.00 C ATOM 1035 O TYR A 64 67.246 9.457 -3.944 1.00 0.00 O ATOM 1036 CB TYR A 64 68.277 9.058 -1.399 1.00 0.00 C ATOM 1037 CG TYR A 64 69.224 9.097 -0.240 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.738 9.385 1.027 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.583 8.865 -0.408 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.597 9.478 2.106 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.435 8.932 0.683 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.944 9.234 1.942 1.00 0.00 C ATOM 1043 OH TYR A 64 71.773 9.279 3.045 1.00 0.00 O ATOM 0 H TYR A 64 66.513 10.861 -0.511 1.00 0.00 H new ATOM 0 HA TYR A 64 68.917 10.956 -2.233 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.343 8.587 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.698 8.443 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.679 9.538 1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.975 8.633 -1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.212 9.742 3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.491 8.747 0.550 1.00 0.00 H new ATOM 0 HH TYR A 64 72.120 8.381 3.230 1.00 0.00 H new ATOM 1053 N ARG A 65 66.103 11.286 -3.278 1.00 0.00 N ATOM 1054 CA ARG A 65 65.175 11.340 -4.406 1.00 0.00 C ATOM 1055 C ARG A 65 64.742 9.958 -4.959 1.00 0.00 C ATOM 1056 O ARG A 65 64.700 9.755 -6.163 1.00 0.00 O ATOM 1057 CB ARG A 65 65.785 12.187 -5.542 1.00 0.00 C ATOM 1058 CG ARG A 65 64.731 13.044 -6.254 1.00 0.00 C ATOM 1059 CD ARG A 65 65.188 13.519 -7.634 1.00 0.00 C ATOM 1060 NE ARG A 65 65.017 12.444 -8.604 1.00 0.00 N ATOM 1061 CZ ARG A 65 65.157 12.650 -9.932 1.00 0.00 C ATOM 1062 NH1 ARG A 65 65.478 13.851 -10.408 1.00 0.00 N ATOM 1063 NH2 ARG A 65 64.968 11.640 -10.776 1.00 0.00 N ATOM 0 H ARG A 65 65.944 12.019 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 65 64.266 11.799 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 65 66.562 12.834 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 65 66.266 11.529 -6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 65 63.811 12.468 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 65 64.496 13.910 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 65 64.611 14.392 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 65 66.233 13.825 -7.596 1.00 0.00 H new ATOM 0 HE ARG A 65 64.785 11.509 -8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 65 65.622 14.632 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 65 65.580 13.991 -11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 65 64.719 10.717 -10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 65 65.072 11.788 -11.780 1.00 0.00 H new ATOM 1077 N ILE A 66 64.467 9.021 -4.014 1.00 0.00 N ATOM 1078 CA ILE A 66 64.221 7.635 -4.396 1.00 0.00 C ATOM 1079 C ILE A 66 62.820 7.512 -5.001 1.00 0.00 C ATOM 1080 O ILE A 66 61.838 7.258 -4.322 1.00 0.00 O ATOM 1081 CB ILE A 66 64.407 6.639 -3.234 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.482 7.130 -2.252 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.664 5.205 -3.711 1.00 0.00 C ATOM 1084 CD1 ILE A 66 66.066 6.070 -1.338 1.00 0.00 C ATOM 0 H ILE A 66 64.414 9.207 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 66 64.971 7.367 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 66 63.461 6.601 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.294 7.579 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 66 65.052 7.920 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.787 4.551 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.819 4.863 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.570 5.180 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.814 6.523 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.272 5.635 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.533 5.289 -1.938 1.00 0.00 H new ATOM 1096 N ASP A 67 62.818 7.723 -6.329 1.00 0.00 N ATOM 1097 CA ASP A 67 61.587 7.696 -7.088 1.00 0.00 C ATOM 1098 C ASP A 67 61.399 6.269 -7.607 1.00 0.00 C ATOM 1099 O ASP A 67 62.347 5.519 -7.704 1.00 0.00 O ATOM 1100 CB ASP A 67 61.647 8.742 -8.213 1.00 0.00 C ATOM 1101 CG ASP A 67 62.795 8.499 -9.216 1.00 0.00 C ATOM 1102 OD1 ASP A 67 62.583 7.775 -10.182 1.00 0.00 O ATOM 1103 OD2 ASP A 67 63.880 9.044 -9.025 1.00 0.00 O ATOM 0 H ASP A 67 63.655 7.911 -6.881 1.00 0.00 H new ATOM 0 HA ASP A 67 60.725 7.958 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 67 60.699 8.741 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 67 61.763 9.732 -7.772 1.00 0.00 H new ATOM 1108 N GLU A 68 60.120 5.959 -7.922 1.00 0.00 N ATOM 1109 CA GLU A 68 59.747 4.642 -8.431 1.00 0.00 C ATOM 1110 C GLU A 68 60.508 4.256 -9.714 1.00 0.00 C ATOM 1111 O GLU A 68 61.007 3.144 -9.838 1.00 0.00 O ATOM 1112 CB GLU A 68 58.231 4.592 -8.670 1.00 0.00 C ATOM 1113 CG GLU A 68 57.742 5.589 -9.743 1.00 0.00 C ATOM 1114 CD GLU A 68 56.216 5.777 -9.777 1.00 0.00 C ATOM 1115 OE1 GLU A 68 55.508 5.147 -8.990 1.00 0.00 O ATOM 1116 OE2 GLU A 68 55.750 6.561 -10.602 1.00 0.00 O ATOM 0 H GLU A 68 59.339 6.609 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 68 60.029 3.910 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 68 57.952 3.582 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.716 4.799 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.213 6.556 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 68 58.077 5.246 -10.722 1.00 0.00 H new ATOM 1123 N LYS A 69 60.589 5.244 -10.643 1.00 0.00 N ATOM 1124 CA LYS A 69 61.293 5.096 -11.916 1.00 0.00 C ATOM 1125 C LYS A 69 62.729 4.581 -11.731 1.00 0.00 C ATOM 1126 O LYS A 69 63.271 3.882 -12.571 1.00 0.00 O ATOM 1127 CB LYS A 69 61.294 6.443 -12.681 1.00 0.00 C ATOM 1128 CG LYS A 69 60.378 6.473 -13.912 1.00 0.00 C ATOM 1129 CD LYS A 69 58.999 5.863 -13.633 1.00 0.00 C ATOM 1130 CE LYS A 69 57.852 6.549 -14.375 1.00 0.00 C ATOM 1131 NZ LYS A 69 56.597 6.416 -13.647 1.00 0.00 N ATOM 0 H LYS A 69 60.163 6.162 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 69 60.759 4.348 -12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 69 60.990 7.236 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.313 6.667 -12.996 1.00 0.00 H new ATOM 0 HG2 LYS A 69 60.255 7.504 -14.244 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.854 5.929 -14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 69 59.017 4.809 -13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 69 58.803 5.909 -12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 69 58.085 7.605 -14.513 1.00 0.00 H new ATOM 0 HE3 LYS A 69 57.747 6.113 -15.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 55.924 7.135 -13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 56.200 5.469 -13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 56.770 6.549 -12.630 1.00 0.00 H new ATOM 1145 N ASN A 70 63.282 4.962 -10.560 1.00 0.00 N ATOM 1146 CA ASN A 70 64.596 4.527 -10.148 1.00 0.00 C ATOM 1147 C ASN A 70 64.426 3.485 -9.034 1.00 0.00 C ATOM 1148 O ASN A 70 63.381 3.343 -8.432 1.00 0.00 O ATOM 1149 CB ASN A 70 65.370 5.760 -9.668 1.00 0.00 C ATOM 1150 CG ASN A 70 66.894 5.565 -9.788 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.519 6.019 -10.735 1.00 0.00 O ATOM 1152 ND2 ASN A 70 67.438 4.857 -8.786 1.00 0.00 N ATOM 0 H ASN A 70 62.818 5.576 -9.891 1.00 0.00 H new ATOM 0 HA ASN A 70 65.154 4.066 -10.963 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.068 6.629 -10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.111 5.969 -8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 70 68.440 4.665 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 70 66.850 4.510 -8.028 1.00 0.00 H new ATOM 1159 N PHE A 71 65.546 2.769 -8.807 1.00 0.00 N ATOM 1160 CA PHE A 71 65.593 1.820 -7.722 1.00 0.00 C ATOM 1161 C PHE A 71 66.926 1.933 -6.971 1.00 0.00 C ATOM 1162 O PHE A 71 67.966 2.187 -7.549 1.00 0.00 O ATOM 1163 CB PHE A 71 65.339 0.417 -8.294 1.00 0.00 C ATOM 1164 CG PHE A 71 66.500 -0.196 -9.011 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.558 -0.725 -8.282 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.525 -0.248 -10.398 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.656 -1.257 -8.929 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.616 -0.805 -11.050 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.685 -1.296 -10.314 1.00 0.00 C ATOM 0 H PHE A 71 66.402 2.840 -9.357 1.00 0.00 H new ATOM 0 HA PHE A 71 64.816 2.030 -6.987 1.00 0.00 H new ATOM 0 HB2 PHE A 71 65.046 -0.244 -7.478 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.494 0.469 -8.981 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.521 -0.720 -7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 71 65.696 0.145 -10.969 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.488 -1.641 -8.358 1.00 0.00 H new ATOM 0 HE2 PHE A 71 67.633 -0.856 -12.129 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.543 -1.710 -10.823 1.00 0.00 H new ATOM 1179 N VAL A 72 66.805 1.697 -5.646 1.00 0.00 N ATOM 1180 CA VAL A 72 67.967 1.683 -4.770 1.00 0.00 C ATOM 1181 C VAL A 72 68.397 0.230 -4.507 1.00 0.00 C ATOM 1182 O VAL A 72 67.614 -0.689 -4.573 1.00 0.00 O ATOM 1183 CB VAL A 72 67.585 2.421 -3.477 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.334 1.501 -2.295 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.661 3.380 -3.021 1.00 0.00 C ATOM 0 H VAL A 72 65.918 1.517 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 72 68.819 2.188 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 72 66.668 2.942 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.070 2.096 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.516 0.820 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.236 0.926 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.342 3.876 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.583 2.830 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.835 4.127 -3.796 1.00 0.00 H new ATOM 1195 N VAL A 73 69.691 0.089 -4.174 1.00 0.00 N ATOM 1196 CA VAL A 73 70.250 -1.231 -3.921 1.00 0.00 C ATOM 1197 C VAL A 73 70.342 -1.463 -2.400 1.00 0.00 C ATOM 1198 O VAL A 73 71.124 -0.826 -1.727 1.00 0.00 O ATOM 1199 CB VAL A 73 71.645 -1.365 -4.593 1.00 0.00 C ATOM 1200 CG1 VAL A 73 71.708 -2.558 -5.546 1.00 0.00 C ATOM 1201 CG2 VAL A 73 72.070 -0.123 -5.382 1.00 0.00 C ATOM 0 H VAL A 73 70.350 0.861 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 73 69.599 -1.991 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 73 72.330 -1.503 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 73 72.700 -2.614 -5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 73 71.507 -3.476 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 73 70.962 -2.436 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 73 73.053 -0.290 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 73 71.346 0.071 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 73 72.114 0.736 -4.712 1.00 0.00 H new ATOM 1211 N VAL A 74 69.521 -2.414 -1.897 1.00 0.00 N ATOM 1212 CA VAL A 74 69.534 -2.686 -0.459 1.00 0.00 C ATOM 1213 C VAL A 74 70.739 -3.584 -0.093 1.00 0.00 C ATOM 1214 O VAL A 74 70.746 -4.771 -0.364 1.00 0.00 O ATOM 1215 CB VAL A 74 68.181 -3.218 0.094 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.004 -2.861 -0.812 1.00 0.00 C ATOM 1217 CG2 VAL A 74 68.153 -4.716 0.441 1.00 0.00 C ATOM 0 H VAL A 74 68.872 -2.978 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 74 69.663 -1.730 0.048 1.00 0.00 H new ATOM 0 HB VAL A 74 68.074 -2.695 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.082 -3.254 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 74 66.929 -1.777 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 74 67.160 -3.296 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 74 67.166 -4.984 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.372 -5.301 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 74 68.902 -4.927 1.205 1.00 0.00 H new ATOM 1227 N MET A 75 71.750 -2.960 0.544 1.00 0.00 N ATOM 1228 CA MET A 75 72.909 -3.721 0.990 1.00 0.00 C ATOM 1229 C MET A 75 72.757 -4.002 2.491 1.00 0.00 C ATOM 1230 O MET A 75 72.504 -3.108 3.263 1.00 0.00 O ATOM 1231 CB MET A 75 74.173 -2.905 0.695 1.00 0.00 C ATOM 1232 CG MET A 75 75.414 -3.421 1.434 1.00 0.00 C ATOM 1233 SD MET A 75 76.859 -2.426 1.029 1.00 0.00 S ATOM 1234 CE MET A 75 78.001 -3.728 0.531 1.00 0.00 C ATOM 0 H MET A 75 71.780 -1.962 0.751 1.00 0.00 H new ATOM 0 HA MET A 75 72.986 -4.674 0.466 1.00 0.00 H new ATOM 0 HB2 MET A 75 74.365 -2.920 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.999 -1.865 0.973 1.00 0.00 H new ATOM 0 HG2 MET A 75 75.239 -3.395 2.510 1.00 0.00 H new ATOM 0 HG3 MET A 75 75.596 -4.462 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 75 78.955 -3.285 0.245 1.00 0.00 H new ATOM 0 HE2 MET A 75 78.154 -4.415 1.363 1.00 0.00 H new ATOM 0 HE3 MET A 75 77.585 -4.272 -0.317 1.00 0.00 H new ATOM 1244 N VAL A 76 72.936 -5.298 2.848 1.00 0.00 N ATOM 1245 CA VAL A 76 72.841 -5.695 4.252 1.00 0.00 C ATOM 1246 C VAL A 76 73.914 -6.757 4.541 1.00 0.00 C ATOM 1247 O VAL A 76 74.292 -7.530 3.680 1.00 0.00 O ATOM 1248 CB VAL A 76 71.437 -6.252 4.582 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.151 -6.169 6.092 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.331 -5.573 3.757 1.00 0.00 C ATOM 0 H VAL A 76 73.140 -6.056 2.197 1.00 0.00 H new ATOM 0 HA VAL A 76 73.004 -4.819 4.880 1.00 0.00 H new ATOM 0 HB VAL A 76 71.433 -7.304 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.157 -6.567 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.894 -6.752 6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.199 -5.129 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.364 -5.999 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.327 -4.503 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.517 -5.735 2.695 1.00 0.00 H new