USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 49 TYR OH : rot 180:sc= 0.694 USER MOD Set 1.2: A 67 THR OG1 : rot -50:sc= 0.839 USER MOD Set 1.3: A 70 SER OG : rot -112:sc= 2.3 USER MOD Set 2.1: A 26 THR OG1 : rot -170:sc= 0.753 USER MOD Set 2.2: A 28 SER OG : rot -63:sc= 0.842 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0.94 (180deg=0.892) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.756) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00523 K(o=-0.0052,f=-1.3) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -62:sc= 1.11 USER MOD Single : A 29 SER OG : rot -177:sc= 0.823 USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0.945 (180deg=0.943) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.91 K(o=0.91,f=-2.8!) USER MOD Single : A 39 ASN : amide:sc=-0.00499 K(o=-0.005,f=-0.92) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -140:sc= -0.121 (180deg=-1.75) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00683 X(o=-0.0068,f=0) USER MOD Single : A 62 ASN : amide:sc= 1.16 K(o=1.2,f=-5.1!) USER MOD Single : A 64 TYR OH : rot 170:sc= 0.615 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -7.965 13.297 9.475 1.00 0.00 N ATOM 38 CA ARG A 4 -6.519 13.200 9.311 1.00 0.00 C ATOM 39 C ARG A 4 -6.165 12.418 8.051 1.00 0.00 C ATOM 40 O ARG A 4 -5.883 11.220 8.109 1.00 0.00 O ATOM 41 CB ARG A 4 -5.838 12.619 10.542 1.00 0.00 C ATOM 42 CG ARG A 4 -6.067 13.396 11.828 1.00 0.00 C ATOM 43 CD ARG A 4 -5.344 12.856 13.007 1.00 0.00 C ATOM 44 NE ARG A 4 -5.570 13.591 14.241 1.00 0.00 N ATOM 45 CZ ARG A 4 -5.018 13.279 15.430 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.238 12.228 15.559 1.00 0.00 N ATOM 47 NH2 ARG A 4 -5.300 14.045 16.470 1.00 0.00 N ATOM 0 HA ARG A 4 -6.137 14.214 9.195 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.189 11.597 10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.766 12.564 10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.762 14.431 11.672 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.135 13.408 12.046 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.643 11.819 13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.275 12.852 12.792 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.190 14.400 14.204 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.043 11.635 14.752 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.828 12.006 16.466 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.920 14.847 16.359 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.897 13.834 17.383 1.00 0.00 H new ATOM 61 N LYS A 5 -6.180 13.102 6.911 1.00 0.00 N ATOM 62 CA LYS A 5 -5.952 12.453 5.626 1.00 0.00 C ATOM 63 C LYS A 5 -4.480 12.532 5.232 1.00 0.00 C ATOM 64 O LYS A 5 -3.781 13.479 5.595 1.00 0.00 O ATOM 65 CB LYS A 5 -6.824 13.086 4.541 1.00 0.00 C ATOM 66 CG LYS A 5 -8.321 12.979 4.796 1.00 0.00 C ATOM 67 CD LYS A 5 -8.762 11.526 4.895 1.00 0.00 C ATOM 68 CE LYS A 5 -10.279 11.409 4.952 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.717 10.034 5.317 1.00 0.00 N ATOM 0 H LYS A 5 -6.348 14.106 6.852 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.226 11.403 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.558 14.139 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.596 12.613 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.573 13.502 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.865 13.473 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.385 10.970 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.327 11.072 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.671 12.120 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.700 11.679 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.745 10.028 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.484 9.379 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.229 9.733 6.185 1.00 0.00 H new ATOM 83 N ILE A 6 -4.017 11.533 4.489 1.00 0.00 N ATOM 84 CA ILE A 6 -2.667 11.554 3.937 1.00 0.00 C ATOM 85 C ILE A 6 -2.656 11.063 2.494 1.00 0.00 C ATOM 86 O ILE A 6 -3.569 10.358 2.059 1.00 0.00 O ATOM 87 CB ILE A 6 -1.702 10.693 4.771 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.181 9.239 4.810 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.572 11.251 6.180 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.178 8.281 5.410 1.00 0.00 C ATOM 0 H ILE A 6 -4.556 10.699 4.255 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.330 12.590 3.967 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.720 10.720 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.107 9.187 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.415 8.916 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.886 10.630 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.187 12.270 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.550 11.254 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.589 7.272 5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.259 8.302 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.961 8.577 6.436 1.00 0.00 H new ATOM 102 N HIS A 7 -1.617 11.438 1.755 1.00 0.00 N ATOM 103 CA HIS A 7 -1.393 10.894 0.420 1.00 0.00 C ATOM 104 C HIS A 7 -0.270 9.861 0.436 1.00 0.00 C ATOM 105 O HIS A 7 0.733 10.030 1.129 1.00 0.00 O ATOM 106 CB HIS A 7 -1.063 12.014 -0.574 1.00 0.00 C ATOM 107 CG HIS A 7 -2.196 12.964 -0.807 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.251 12.673 -1.645 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.438 14.200 -0.311 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.094 13.691 -1.656 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.625 14.629 -0.855 1.00 0.00 N ATOM 0 H HIS A 7 -0.917 12.116 2.057 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.312 10.403 0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.202 12.572 -0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.772 11.569 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.815 14.746 0.382 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.011 13.746 -2.224 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.071 15.527 -0.670 1.00 0.00 H new ATOM 118 N VAL A 8 -0.446 8.789 -0.329 1.00 0.00 N ATOM 119 CA VAL A 8 0.539 7.715 -0.382 1.00 0.00 C ATOM 120 C VAL A 8 0.968 7.435 -1.818 1.00 0.00 C ATOM 121 O VAL A 8 0.133 7.307 -2.714 1.00 0.00 O ATOM 122 CB VAL A 8 -0.004 6.417 0.245 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.000 5.287 0.081 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.329 6.632 1.715 1.00 0.00 C ATOM 0 H VAL A 8 -1.263 8.641 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 8 1.402 8.050 0.194 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.922 6.140 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.601 4.377 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.187 5.117 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.934 5.555 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.711 5.705 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.574 6.932 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.083 7.414 1.810 1.00 0.00 H new ATOM 134 N THR A 9 2.276 7.336 -2.031 1.00 0.00 N ATOM 135 CA THR A 9 2.814 6.991 -3.341 1.00 0.00 C ATOM 136 C THR A 9 3.115 5.501 -3.437 1.00 0.00 C ATOM 137 O THR A 9 3.992 4.988 -2.740 1.00 0.00 O ATOM 138 CB THR A 9 4.097 7.784 -3.651 1.00 0.00 C ATOM 139 OG1 THR A 9 3.807 9.188 -3.649 1.00 0.00 O ATOM 140 CG2 THR A 9 4.654 7.387 -5.011 1.00 0.00 C ATOM 0 H THR A 9 2.983 7.490 -1.312 1.00 0.00 H new ATOM 0 HA THR A 9 2.050 7.253 -4.073 1.00 0.00 H new ATOM 0 HB THR A 9 4.839 7.558 -2.885 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.625 9.691 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.561 7.957 -5.213 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.887 6.322 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.913 7.597 -5.783 1.00 0.00 H new ATOM 148 N VAL A 10 2.383 4.808 -4.304 1.00 0.00 N ATOM 149 CA VAL A 10 2.510 3.361 -4.427 1.00 0.00 C ATOM 150 C VAL A 10 3.119 2.976 -5.771 1.00 0.00 C ATOM 151 O VAL A 10 2.575 3.302 -6.827 1.00 0.00 O ATOM 152 CB VAL A 10 1.148 2.660 -4.270 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.318 1.149 -4.323 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.482 3.074 -2.966 1.00 0.00 C ATOM 0 H VAL A 10 1.696 5.226 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 10 3.171 3.032 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 10 0.507 2.965 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.346 0.669 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.754 0.865 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.976 0.828 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.479 2.569 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.121 2.797 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.327 4.153 -2.963 1.00 0.00 H new ATOM 164 N LYS A 11 4.248 2.278 -5.726 1.00 0.00 N ATOM 165 CA LYS A 11 5.054 2.045 -6.919 1.00 0.00 C ATOM 166 C LYS A 11 5.025 0.572 -7.313 1.00 0.00 C ATOM 167 O LYS A 11 5.379 -0.301 -6.519 1.00 0.00 O ATOM 168 CB LYS A 11 6.495 2.504 -6.693 1.00 0.00 C ATOM 169 CG LYS A 11 6.654 4.007 -6.510 1.00 0.00 C ATOM 170 CD LYS A 11 8.114 4.389 -6.316 1.00 0.00 C ATOM 171 CE LYS A 11 8.321 5.889 -6.468 1.00 0.00 C ATOM 172 NZ LYS A 11 9.741 6.280 -6.260 1.00 0.00 N ATOM 0 H LYS A 11 4.627 1.863 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 11 4.627 2.628 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.891 1.999 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.102 2.187 -7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.253 4.526 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.073 4.334 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.446 4.073 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.730 3.860 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.001 6.200 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.691 6.416 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.887 7.252 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.970 6.229 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.360 5.633 -6.788 1.00 0.00 H new ATOM 186 N PHE A 12 4.605 0.302 -8.545 1.00 0.00 N ATOM 187 CA PHE A 12 4.701 -1.039 -9.109 1.00 0.00 C ATOM 188 C PHE A 12 5.774 -1.100 -10.191 1.00 0.00 C ATOM 189 O PHE A 12 6.226 -0.079 -10.710 1.00 0.00 O ATOM 190 CB PHE A 12 3.351 -1.470 -9.688 1.00 0.00 C ATOM 191 CG PHE A 12 2.198 -1.243 -8.753 1.00 0.00 C ATOM 192 CD1 PHE A 12 1.851 0.040 -8.358 1.00 0.00 C ATOM 193 CD2 PHE A 12 1.459 -2.311 -8.270 1.00 0.00 C ATOM 194 CE1 PHE A 12 0.792 0.252 -7.497 1.00 0.00 C ATOM 195 CE2 PHE A 12 0.397 -2.105 -7.409 1.00 0.00 C ATOM 196 CZ PHE A 12 0.062 -0.822 -7.023 1.00 0.00 C ATOM 0 H PHE A 12 4.195 0.995 -9.172 1.00 0.00 H new ATOM 0 HA PHE A 12 4.980 -1.723 -8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.171 -0.924 -10.614 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.396 -2.528 -9.946 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.415 0.883 -8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.716 -3.316 -8.570 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.534 1.256 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.170 -2.946 -7.039 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.768 -0.658 -6.352 1.00 0.00 H new ATOM 206 N PRO A 13 6.193 -2.325 -10.540 1.00 0.00 N ATOM 207 CA PRO A 13 7.162 -2.553 -11.616 1.00 0.00 C ATOM 208 C PRO A 13 6.633 -2.116 -12.977 1.00 0.00 C ATOM 209 O PRO A 13 7.403 -1.754 -13.867 1.00 0.00 O ATOM 210 CB PRO A 13 7.422 -4.061 -11.565 1.00 0.00 C ATOM 211 CG PRO A 13 6.202 -4.627 -10.923 1.00 0.00 C ATOM 212 CD PRO A 13 5.771 -3.600 -9.911 1.00 0.00 C ATOM 0 HA PRO A 13 8.070 -1.965 -11.480 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.573 -4.472 -12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.318 -4.290 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.418 -4.807 -11.659 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.417 -5.583 -10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.695 -3.629 -9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.254 -3.755 -8.946 1.00 0.00 H new ATOM 220 N SER A 14 5.312 -2.148 -13.131 1.00 0.00 N ATOM 221 CA SER A 14 4.685 -1.858 -14.416 1.00 0.00 C ATOM 222 C SER A 14 4.215 -0.408 -14.476 1.00 0.00 C ATOM 223 O SER A 14 4.110 0.179 -15.552 1.00 0.00 O ATOM 224 CB SER A 14 3.525 -2.804 -14.658 1.00 0.00 C ATOM 225 OG SER A 14 2.498 -2.626 -13.722 1.00 0.00 O ATOM 0 H SER A 14 4.656 -2.372 -12.382 1.00 0.00 H new ATOM 0 HA SER A 14 5.426 -2.005 -15.202 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.132 -2.646 -15.662 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.881 -3.833 -14.614 1.00 0.00 H new ATOM 0 HG SER A 14 1.769 -3.252 -13.913 1.00 0.00 H new ATOM 231 N LYS A 15 3.930 0.164 -13.311 1.00 0.00 N ATOM 232 CA LYS A 15 3.327 1.488 -13.234 1.00 0.00 C ATOM 233 C LYS A 15 3.393 2.036 -11.811 1.00 0.00 C ATOM 234 O LYS A 15 3.404 1.274 -10.844 1.00 0.00 O ATOM 235 CB LYS A 15 1.877 1.447 -13.718 1.00 0.00 C ATOM 236 CG LYS A 15 1.171 2.796 -13.706 1.00 0.00 C ATOM 237 CD LYS A 15 -0.219 2.698 -14.314 1.00 0.00 C ATOM 238 CE LYS A 15 -0.890 4.062 -14.388 1.00 0.00 C ATOM 239 NZ LYS A 15 -2.254 3.981 -14.979 1.00 0.00 N ATOM 0 H LYS A 15 4.108 -0.271 -12.405 1.00 0.00 H new ATOM 0 HA LYS A 15 3.894 2.154 -13.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.857 1.049 -14.733 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.317 0.752 -13.092 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.097 3.161 -12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.763 3.523 -14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.151 2.270 -15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.832 2.021 -13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.953 4.490 -13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.276 4.736 -14.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.675 4.931 -15.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.192 3.597 -15.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.849 3.358 -14.396 1.00 0.00 H new ATOM 253 N GLN A 16 3.435 3.358 -11.693 1.00 0.00 N ATOM 254 CA GLN A 16 3.405 4.010 -10.389 1.00 0.00 C ATOM 255 C GLN A 16 2.312 5.070 -10.335 1.00 0.00 C ATOM 256 O GLN A 16 1.979 5.686 -11.348 1.00 0.00 O ATOM 257 CB GLN A 16 4.762 4.647 -10.074 1.00 0.00 C ATOM 258 CG GLN A 16 5.939 3.694 -10.193 1.00 0.00 C ATOM 259 CD GLN A 16 7.272 4.398 -10.029 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.334 5.627 -9.937 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.350 3.623 -9.996 1.00 0.00 N ATOM 0 H GLN A 16 3.490 3.999 -12.484 1.00 0.00 H new ATOM 0 HA GLN A 16 3.188 3.248 -9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.921 5.489 -10.748 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.736 5.050 -9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.848 2.913 -9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.908 3.202 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.253 2.611 -10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.275 4.040 -9.891 1.00 0.00 H new ATOM 270 N PHE A 17 1.755 5.281 -9.147 1.00 0.00 N ATOM 271 CA PHE A 17 0.697 6.267 -8.961 1.00 0.00 C ATOM 272 C PHE A 17 0.496 6.575 -7.480 1.00 0.00 C ATOM 273 O PHE A 17 1.033 5.888 -6.612 1.00 0.00 O ATOM 274 CB PHE A 17 -0.610 5.773 -9.582 1.00 0.00 C ATOM 275 CG PHE A 17 -1.097 4.471 -9.014 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.844 4.442 -7.846 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.808 3.270 -9.646 1.00 0.00 C ATOM 278 CE1 PHE A 17 -2.292 3.245 -7.321 1.00 0.00 C ATOM 279 CE2 PHE A 17 -1.256 2.072 -9.125 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.998 2.060 -7.962 1.00 0.00 C ATOM 0 H PHE A 17 2.019 4.782 -8.298 1.00 0.00 H new ATOM 0 HA PHE A 17 0.998 7.186 -9.464 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.379 6.532 -9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.471 5.660 -10.657 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.079 5.367 -7.340 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.226 3.272 -10.556 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.872 3.237 -6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.025 1.145 -9.628 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.348 1.123 -7.554 1.00 0.00 H new ATOM 290 N THR A 18 -0.282 7.617 -7.201 1.00 0.00 N ATOM 291 CA THR A 18 -0.556 8.019 -5.826 1.00 0.00 C ATOM 292 C THR A 18 -2.019 7.791 -5.468 1.00 0.00 C ATOM 293 O THR A 18 -2.892 7.804 -6.336 1.00 0.00 O ATOM 294 CB THR A 18 -0.205 9.500 -5.590 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.012 10.326 -6.439 1.00 0.00 O ATOM 296 CG2 THR A 18 1.264 9.754 -5.889 1.00 0.00 C ATOM 0 H THR A 18 -0.733 8.197 -7.908 1.00 0.00 H new ATOM 0 HA THR A 18 0.073 7.400 -5.186 1.00 0.00 H new ATOM 0 HB THR A 18 -0.399 9.742 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.789 11.268 -6.287 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.494 10.805 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.880 9.136 -5.236 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.472 9.503 -6.929 1.00 0.00 H new ATOM 304 N VAL A 19 -2.283 7.580 -4.181 1.00 0.00 N ATOM 305 CA VAL A 19 -3.647 7.395 -3.701 1.00 0.00 C ATOM 306 C VAL A 19 -3.935 8.298 -2.507 1.00 0.00 C ATOM 307 O VAL A 19 -3.018 8.768 -1.835 1.00 0.00 O ATOM 308 CB VAL A 19 -3.911 5.932 -3.301 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.772 5.017 -4.509 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.961 5.501 -2.195 1.00 0.00 C ATOM 0 H VAL A 19 -1.570 7.533 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.310 7.661 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.932 5.857 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.962 3.987 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.492 5.311 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.762 5.097 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.163 4.464 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.932 5.592 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.106 6.138 -1.322 1.00 0.00 H new ATOM 320 N GLU A 20 -5.217 8.536 -2.248 1.00 0.00 N ATOM 321 CA GLU A 20 -5.629 9.334 -1.098 1.00 0.00 C ATOM 322 C GLU A 20 -6.257 8.454 -0.021 1.00 0.00 C ATOM 323 O GLU A 20 -7.280 7.809 -0.251 1.00 0.00 O ATOM 324 CB GLU A 20 -6.610 10.427 -1.527 1.00 0.00 C ATOM 325 CG GLU A 20 -7.067 11.341 -0.399 1.00 0.00 C ATOM 326 CD GLU A 20 -8.022 12.389 -0.897 1.00 0.00 C ATOM 327 OE1 GLU A 20 -8.320 12.387 -2.067 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.542 13.122 -0.088 1.00 0.00 O ATOM 0 H GLU A 20 -5.988 8.188 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.740 9.806 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.142 11.034 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.486 9.957 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.548 10.749 0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.201 11.822 0.056 1.00 0.00 H new ATOM 335 N VAL A 21 -5.636 8.434 1.154 1.00 0.00 N ATOM 336 CA VAL A 21 -6.070 7.553 2.232 1.00 0.00 C ATOM 337 C VAL A 21 -6.090 8.289 3.567 1.00 0.00 C ATOM 338 O VAL A 21 -5.666 9.441 3.660 1.00 0.00 O ATOM 339 CB VAL A 21 -5.161 6.315 2.352 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.247 5.468 1.091 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.723 6.734 2.615 1.00 0.00 C ATOM 0 H VAL A 21 -4.831 9.017 1.384 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.080 7.226 1.985 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.504 5.715 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.599 4.598 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.276 5.139 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.928 6.060 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.095 5.847 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.369 7.355 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.673 7.301 3.545 1.00 0.00 H new ATOM 351 N ASP A 22 -6.586 7.615 4.599 1.00 0.00 N ATOM 352 CA ASP A 22 -6.598 8.178 5.945 1.00 0.00 C ATOM 353 C ASP A 22 -5.515 7.542 6.810 1.00 0.00 C ATOM 354 O ASP A 22 -5.298 6.331 6.759 1.00 0.00 O ATOM 355 CB ASP A 22 -7.971 7.988 6.594 1.00 0.00 C ATOM 356 CG ASP A 22 -8.239 8.906 7.781 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.455 8.899 8.700 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.132 9.714 7.690 1.00 0.00 O ATOM 0 H ASP A 22 -6.985 6.679 4.530 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.392 9.245 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.741 8.154 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.064 6.953 6.923 1.00 0.00 H new ATOM 363 N ARG A 23 -4.837 8.367 7.602 1.00 0.00 N ATOM 364 CA ARG A 23 -3.722 7.899 8.416 1.00 0.00 C ATOM 365 C ARG A 23 -4.211 6.981 9.531 1.00 0.00 C ATOM 366 O ARG A 23 -3.456 6.155 10.047 1.00 0.00 O ATOM 367 CB ARG A 23 -2.887 9.048 8.962 1.00 0.00 C ATOM 368 CG ARG A 23 -3.495 9.772 10.153 1.00 0.00 C ATOM 369 CD ARG A 23 -2.778 11.010 10.550 1.00 0.00 C ATOM 370 NE ARG A 23 -1.411 10.798 10.996 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.466 11.757 11.049 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.723 12.984 10.653 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.735 11.426 11.490 1.00 0.00 N ATOM 0 H ARG A 23 -5.041 9.362 7.697 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.066 7.320 7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.909 8.662 9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.722 9.770 8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.529 10.025 9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.517 9.091 11.004 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.768 11.696 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.336 11.498 11.349 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.149 9.857 11.290 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.649 13.222 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.004 13.698 10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.926 10.466 11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.471 12.130 11.542 1.00 0.00 H new ATOM 387 N THR A 24 -5.480 7.130 9.899 1.00 0.00 N ATOM 388 CA THR A 24 -6.049 6.368 11.004 1.00 0.00 C ATOM 389 C THR A 24 -6.710 5.087 10.505 1.00 0.00 C ATOM 390 O THR A 24 -7.106 4.233 11.297 1.00 0.00 O ATOM 391 CB THR A 24 -7.084 7.196 11.788 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.227 7.446 10.960 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.482 8.521 12.229 1.00 0.00 C ATOM 0 H THR A 24 -6.133 7.771 9.448 1.00 0.00 H new ATOM 0 HA THR A 24 -5.224 6.113 11.669 1.00 0.00 H new ATOM 0 HB THR A 24 -7.384 6.633 12.672 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.956 7.970 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.227 9.093 12.782 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.620 8.334 12.869 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.167 9.087 11.352 1.00 0.00 H new ATOM 401 N GLU A 25 -6.825 4.960 9.187 1.00 0.00 N ATOM 402 CA GLU A 25 -7.310 3.727 8.577 1.00 0.00 C ATOM 403 C GLU A 25 -6.205 2.676 8.526 1.00 0.00 C ATOM 404 O GLU A 25 -5.018 3.004 8.541 1.00 0.00 O ATOM 405 CB GLU A 25 -7.848 3.998 7.171 1.00 0.00 C ATOM 406 CG GLU A 25 -9.204 4.690 7.139 1.00 0.00 C ATOM 407 CD GLU A 25 -10.321 3.712 7.375 1.00 0.00 C ATOM 408 OE1 GLU A 25 -10.088 2.533 7.257 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.378 4.134 7.784 1.00 0.00 O ATOM 0 H GLU A 25 -6.589 5.696 8.521 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.123 3.342 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.127 4.613 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.924 3.052 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.234 5.471 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.343 5.178 6.175 1.00 0.00 H new ATOM 416 N THR A 26 -6.604 1.410 8.464 1.00 0.00 N ATOM 417 CA THR A 26 -5.651 0.308 8.429 1.00 0.00 C ATOM 418 C THR A 26 -5.043 0.152 7.039 1.00 0.00 C ATOM 419 O THR A 26 -5.570 0.674 6.058 1.00 0.00 O ATOM 420 CB THR A 26 -6.307 -1.021 8.845 1.00 0.00 C ATOM 421 OG1 THR A 26 -7.348 -1.354 7.916 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.897 -0.911 10.242 1.00 0.00 C ATOM 0 H THR A 26 -7.582 1.122 8.437 1.00 0.00 H new ATOM 0 HA THR A 26 -4.863 0.550 9.142 1.00 0.00 H new ATOM 0 HB THR A 26 -5.545 -1.801 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.867 -2.109 8.263 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.356 -1.860 10.519 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.107 -0.669 10.953 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.652 -0.125 10.257 1.00 0.00 H new ATOM 430 N VAL A 27 -3.929 -0.572 6.964 1.00 0.00 N ATOM 431 CA VAL A 27 -3.215 -0.744 5.706 1.00 0.00 C ATOM 432 C VAL A 27 -4.069 -1.490 4.686 1.00 0.00 C ATOM 433 O VAL A 27 -3.839 -1.395 3.481 1.00 0.00 O ATOM 434 CB VAL A 27 -1.890 -1.504 5.908 1.00 0.00 C ATOM 435 CG1 VAL A 27 -2.159 -2.972 6.207 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.003 -1.367 4.680 1.00 0.00 C ATOM 0 H VAL A 27 -3.503 -1.048 7.760 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.995 0.255 5.329 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.369 -1.066 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.213 -3.494 6.347 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.757 -3.055 7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.701 -3.420 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.072 -1.910 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.518 -1.779 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.783 -0.314 4.506 1.00 0.00 H new ATOM 446 N SER A 28 -5.056 -2.232 5.178 1.00 0.00 N ATOM 447 CA SER A 28 -5.959 -2.975 4.309 1.00 0.00 C ATOM 448 C SER A 28 -6.823 -2.027 3.484 1.00 0.00 C ATOM 449 O SER A 28 -7.261 -2.367 2.384 1.00 0.00 O ATOM 450 CB SER A 28 -6.829 -3.906 5.131 1.00 0.00 C ATOM 451 OG SER A 28 -7.793 -3.208 5.871 1.00 0.00 O ATOM 0 H SER A 28 -5.250 -2.334 6.174 1.00 0.00 H new ATOM 0 HA SER A 28 -5.360 -3.571 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.324 -4.617 4.470 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.201 -4.485 5.808 1.00 0.00 H new ATOM 0 HG SER A 28 -7.348 -2.627 6.522 1.00 0.00 H new ATOM 457 N SER A 29 -7.062 -0.836 4.020 1.00 0.00 N ATOM 458 CA SER A 29 -7.756 0.212 3.281 1.00 0.00 C ATOM 459 C SER A 29 -6.894 0.729 2.134 1.00 0.00 C ATOM 460 O SER A 29 -7.394 1.013 1.044 1.00 0.00 O ATOM 461 CB SER A 29 -8.137 1.346 4.211 1.00 0.00 C ATOM 462 OG SER A 29 -9.074 0.947 5.173 1.00 0.00 O ATOM 0 H SER A 29 -6.785 -0.572 4.965 1.00 0.00 H new ATOM 0 HA SER A 29 -8.666 -0.213 2.857 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.243 1.721 4.710 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.546 2.171 3.628 1.00 0.00 H new ATOM 0 HG SER A 29 -9.325 1.717 5.725 1.00 0.00 H new ATOM 468 N LEU A 30 -5.595 0.848 2.385 1.00 0.00 N ATOM 469 CA LEU A 30 -4.636 1.165 1.332 1.00 0.00 C ATOM 470 C LEU A 30 -4.608 0.066 0.274 1.00 0.00 C ATOM 471 O LEU A 30 -4.540 0.345 -0.924 1.00 0.00 O ATOM 472 CB LEU A 30 -3.239 1.369 1.929 1.00 0.00 C ATOM 473 CG LEU A 30 -2.124 1.629 0.908 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.396 2.925 0.156 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.783 1.693 1.624 1.00 0.00 C ATOM 0 H LEU A 30 -5.181 0.730 3.310 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.950 2.091 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.277 2.209 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.978 0.485 2.511 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.097 0.814 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.599 3.101 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.349 2.849 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.435 3.754 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.009 1.878 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.800 2.500 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.596 0.747 2.132 1.00 0.00 H new ATOM 487 N LYS A 31 -4.663 -1.183 0.723 1.00 0.00 N ATOM 488 CA LYS A 31 -4.689 -2.322 -0.185 1.00 0.00 C ATOM 489 C LYS A 31 -5.963 -2.318 -1.026 1.00 0.00 C ATOM 490 O LYS A 31 -5.942 -2.679 -2.202 1.00 0.00 O ATOM 491 CB LYS A 31 -4.575 -3.633 0.596 1.00 0.00 C ATOM 492 CG LYS A 31 -3.213 -3.868 1.234 1.00 0.00 C ATOM 493 CD LYS A 31 -3.160 -5.210 1.947 1.00 0.00 C ATOM 494 CE LYS A 31 -1.792 -5.457 2.566 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.701 -6.800 3.200 1.00 0.00 N ATOM 0 H LYS A 31 -4.690 -1.432 1.712 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.834 -2.239 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.335 -3.644 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.796 -4.462 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.439 -3.830 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.999 -3.068 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.924 -5.241 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.391 -6.008 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.025 -5.366 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.588 -4.689 3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.743 -6.941 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.393 -6.866 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.903 -7.533 2.491 1.00 0.00 H new ATOM 509 N ASP A 32 -7.068 -1.906 -0.414 1.00 0.00 N ATOM 510 CA ASP A 32 -8.331 -1.767 -1.130 1.00 0.00 C ATOM 511 C ASP A 32 -8.213 -0.737 -2.249 1.00 0.00 C ATOM 512 O ASP A 32 -8.704 -0.949 -3.358 1.00 0.00 O ATOM 513 CB ASP A 32 -9.454 -1.375 -0.166 1.00 0.00 C ATOM 514 CG ASP A 32 -9.928 -2.501 0.740 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.579 -3.630 0.485 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.502 -2.213 1.763 1.00 0.00 O ATOM 0 H ASP A 32 -7.115 -1.663 0.575 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.573 -2.731 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.111 -0.547 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.302 -1.010 -0.745 1.00 0.00 H new ATOM 521 N LYS A 33 -7.559 0.380 -1.950 1.00 0.00 N ATOM 522 CA LYS A 33 -7.326 1.420 -2.945 1.00 0.00 C ATOM 523 C LYS A 33 -6.488 0.890 -4.102 1.00 0.00 C ATOM 524 O LYS A 33 -6.760 1.183 -5.266 1.00 0.00 O ATOM 525 CB LYS A 33 -6.640 2.630 -2.307 1.00 0.00 C ATOM 526 CG LYS A 33 -7.527 3.430 -1.363 1.00 0.00 C ATOM 527 CD LYS A 33 -8.647 4.133 -2.116 1.00 0.00 C ATOM 528 CE LYS A 33 -9.499 4.979 -1.181 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.624 5.637 -1.898 1.00 0.00 N ATOM 0 H LYS A 33 -7.181 0.588 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.294 1.732 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.762 2.288 -1.759 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.284 3.290 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.953 2.766 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.925 4.167 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.222 4.765 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.274 3.393 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.895 4.351 -0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.875 5.738 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.180 6.204 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.246 6.256 -2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.234 4.912 -2.327 1.00 0.00 H new ATOM 543 N ILE A 34 -5.465 0.104 -3.775 1.00 0.00 N ATOM 544 CA ILE A 34 -4.655 -0.557 -4.790 1.00 0.00 C ATOM 545 C ILE A 34 -5.493 -1.534 -5.611 1.00 0.00 C ATOM 546 O ILE A 34 -5.333 -1.634 -6.829 1.00 0.00 O ATOM 547 CB ILE A 34 -3.468 -1.310 -4.162 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.461 -0.322 -3.570 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.799 -2.204 -5.196 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.433 -0.965 -2.669 1.00 0.00 C ATOM 0 H ILE A 34 -5.179 -0.089 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.269 0.224 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.844 -1.940 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.948 0.190 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.001 0.438 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.962 -2.729 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.521 -2.930 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.435 -1.594 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.755 -0.202 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.936 -1.453 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.866 -1.705 -3.234 1.00 0.00 H new ATOM 562 N HIS A 35 -6.386 -2.249 -4.938 1.00 0.00 N ATOM 563 CA HIS A 35 -7.233 -3.234 -5.600 1.00 0.00 C ATOM 564 C HIS A 35 -8.216 -2.554 -6.550 1.00 0.00 C ATOM 565 O HIS A 35 -8.555 -3.099 -7.601 1.00 0.00 O ATOM 566 CB HIS A 35 -7.994 -4.076 -4.570 1.00 0.00 C ATOM 567 CG HIS A 35 -8.914 -5.087 -5.181 1.00 0.00 C ATOM 568 ND1 HIS A 35 -8.465 -6.100 -6.003 1.00 0.00 N ATOM 569 CD2 HIS A 35 -10.255 -5.240 -5.093 1.00 0.00 C ATOM 570 CE1 HIS A 35 -9.493 -6.834 -6.393 1.00 0.00 C ATOM 571 NE2 HIS A 35 -10.590 -6.333 -5.854 1.00 0.00 N ATOM 0 H HIS A 35 -6.543 -2.165 -3.934 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.588 -3.893 -6.181 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.275 -4.590 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.573 -3.412 -3.928 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.493 -6.258 -6.268 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.935 -4.619 -4.529 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.444 -7.696 -7.042 1.00 0.00 H new ATOM 578 N ILE A 36 -8.669 -1.364 -6.172 1.00 0.00 N ATOM 579 CA ILE A 36 -9.585 -0.595 -7.007 1.00 0.00 C ATOM 580 C ILE A 36 -8.884 -0.079 -8.258 1.00 0.00 C ATOM 581 O ILE A 36 -9.413 -0.179 -9.366 1.00 0.00 O ATOM 582 CB ILE A 36 -10.187 0.594 -6.237 1.00 0.00 C ATOM 583 CG1 ILE A 36 -11.135 0.096 -5.144 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.913 1.532 -7.190 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.526 1.161 -4.144 1.00 0.00 C ATOM 0 H ILE A 36 -8.417 -0.911 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.390 -1.270 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.376 1.147 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.037 -0.300 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.662 -0.731 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.333 2.367 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.211 1.910 -7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.716 0.992 -7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.199 0.733 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.632 1.541 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.029 1.978 -4.661 1.00 0.00 H new ATOM 597 N VAL A 37 -7.689 0.474 -8.076 1.00 0.00 N ATOM 598 CA VAL A 37 -6.962 1.105 -9.172 1.00 0.00 C ATOM 599 C VAL A 37 -6.365 0.060 -10.108 1.00 0.00 C ATOM 600 O VAL A 37 -6.468 0.177 -11.329 1.00 0.00 O ATOM 601 CB VAL A 37 -5.837 2.018 -8.652 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.994 2.536 -9.808 1.00 0.00 C ATOM 603 CG2 VAL A 37 -6.417 3.178 -7.856 1.00 0.00 C ATOM 0 H VAL A 37 -7.203 0.498 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.683 1.711 -9.721 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.196 1.433 -7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.204 3.180 -9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.550 1.695 -10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.624 3.105 -10.491 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.608 3.813 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.080 3.762 -8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.980 2.791 -7.006 1.00 0.00 H new ATOM 613 N GLU A 38 -5.741 -0.960 -9.528 1.00 0.00 N ATOM 614 CA GLU A 38 -5.087 -2.000 -10.312 1.00 0.00 C ATOM 615 C GLU A 38 -5.985 -3.227 -10.445 1.00 0.00 C ATOM 616 O GLU A 38 -6.711 -3.582 -9.517 1.00 0.00 O ATOM 617 CB GLU A 38 -3.750 -2.391 -9.678 1.00 0.00 C ATOM 618 CG GLU A 38 -2.680 -1.311 -9.754 1.00 0.00 C ATOM 619 CD GLU A 38 -2.337 -0.981 -11.180 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.967 -1.873 -11.904 1.00 0.00 O ATOM 621 OE2 GLU A 38 -2.551 0.140 -11.576 1.00 0.00 O ATOM 0 H GLU A 38 -5.675 -1.088 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.899 -1.602 -11.309 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.918 -2.646 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.378 -3.290 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.030 -0.413 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.785 -1.646 -9.230 1.00 0.00 H new ATOM 628 N ASN A 39 -5.930 -3.870 -11.608 1.00 0.00 N ATOM 629 CA ASN A 39 -6.767 -5.033 -11.877 1.00 0.00 C ATOM 630 C ASN A 39 -6.115 -6.308 -11.352 1.00 0.00 C ATOM 631 O ASN A 39 -5.785 -7.213 -12.120 1.00 0.00 O ATOM 632 CB ASN A 39 -7.071 -5.168 -13.358 1.00 0.00 C ATOM 633 CG ASN A 39 -7.955 -4.076 -13.897 1.00 0.00 C ATOM 634 OD1 ASN A 39 -8.783 -3.508 -13.176 1.00 0.00 O ATOM 635 ND2 ASN A 39 -7.839 -3.837 -15.178 1.00 0.00 N ATOM 0 H ASN A 39 -5.315 -3.605 -12.378 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.710 -4.883 -11.351 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.133 -5.171 -13.913 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.550 -6.131 -13.535 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.449 -3.154 -15.627 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.138 -4.334 -15.728 1.00 0.00 H new ATOM 642 N THR A 40 -5.932 -6.374 -10.037 1.00 0.00 N ATOM 643 CA THR A 40 -5.293 -7.524 -9.410 1.00 0.00 C ATOM 644 C THR A 40 -5.780 -7.712 -7.979 1.00 0.00 C ATOM 645 O THR A 40 -5.966 -6.752 -7.229 1.00 0.00 O ATOM 646 CB THR A 40 -3.759 -7.386 -9.407 1.00 0.00 C ATOM 647 OG1 THR A 40 -3.169 -8.605 -8.937 1.00 0.00 O ATOM 648 CG2 THR A 40 -3.328 -6.239 -8.506 1.00 0.00 C ATOM 0 H THR A 40 -6.218 -5.643 -9.385 1.00 0.00 H new ATOM 0 HA THR A 40 -5.568 -8.397 -10.001 1.00 0.00 H new ATOM 0 HB THR A 40 -3.426 -7.180 -10.424 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.193 -8.517 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.241 -6.157 -8.516 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.766 -5.308 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.668 -6.429 -7.488 1.00 0.00 H new ATOM 656 N PRO A 41 -5.993 -8.977 -7.586 1.00 0.00 N ATOM 657 CA PRO A 41 -6.467 -9.320 -6.242 1.00 0.00 C ATOM 658 C PRO A 41 -5.427 -9.024 -5.167 1.00 0.00 C ATOM 659 O PRO A 41 -4.224 -9.129 -5.409 1.00 0.00 O ATOM 660 CB PRO A 41 -6.782 -10.816 -6.333 1.00 0.00 C ATOM 661 CG PRO A 41 -5.925 -11.309 -7.448 1.00 0.00 C ATOM 662 CD PRO A 41 -5.876 -10.179 -8.442 1.00 0.00 C ATOM 0 HA PRO A 41 -7.333 -8.726 -5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.552 -11.328 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.839 -10.988 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.926 -11.564 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.344 -12.210 -7.897 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.946 -10.181 -9.010 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.690 -10.241 -9.164 1.00 0.00 H new ATOM 670 N ILE A 42 -5.897 -8.653 -3.981 1.00 0.00 N ATOM 671 CA ILE A 42 -5.008 -8.272 -2.891 1.00 0.00 C ATOM 672 C ILE A 42 -4.122 -9.440 -2.470 1.00 0.00 C ATOM 673 O ILE A 42 -2.970 -9.251 -2.079 1.00 0.00 O ATOM 674 CB ILE A 42 -5.795 -7.769 -1.667 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.455 -6.423 -1.974 1.00 0.00 C ATOM 676 CG2 ILE A 42 -4.882 -7.655 -0.456 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.437 -5.969 -0.917 1.00 0.00 C ATOM 0 H ILE A 42 -6.890 -8.608 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.383 -7.461 -3.265 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.578 -8.492 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.679 -5.665 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.972 -6.492 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.455 -7.298 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.458 -8.633 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.077 -6.952 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.863 -5.008 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.235 -6.706 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.922 -5.866 0.038 1.00 0.00 H new ATOM 689 N LYS A 43 -4.666 -10.648 -2.552 1.00 0.00 N ATOM 690 CA LYS A 43 -3.933 -11.848 -2.166 1.00 0.00 C ATOM 691 C LYS A 43 -2.754 -12.089 -3.104 1.00 0.00 C ATOM 692 O LYS A 43 -1.760 -12.709 -2.720 1.00 0.00 O ATOM 693 CB LYS A 43 -4.858 -13.065 -2.158 1.00 0.00 C ATOM 694 CG LYS A 43 -5.900 -13.056 -1.048 1.00 0.00 C ATOM 695 CD LYS A 43 -6.790 -14.288 -1.112 1.00 0.00 C ATOM 696 CE LYS A 43 -7.823 -14.285 0.004 1.00 0.00 C ATOM 697 NZ LYS A 43 -8.718 -15.472 -0.062 1.00 0.00 N ATOM 0 H LYS A 43 -5.615 -10.823 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.547 -11.697 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.369 -13.124 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.252 -13.966 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.402 -13.015 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.513 -12.158 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.295 -14.324 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.177 -15.186 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.315 -14.267 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.421 -13.376 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.407 -15.431 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.223 -15.476 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.151 -16.340 0.023 1.00 0.00 H new ATOM 711 N ARG A 44 -2.869 -11.595 -4.332 1.00 0.00 N ATOM 712 CA ARG A 44 -1.804 -11.740 -5.317 1.00 0.00 C ATOM 713 C ARG A 44 -0.821 -10.575 -5.230 1.00 0.00 C ATOM 714 O ARG A 44 0.384 -10.755 -5.396 1.00 0.00 O ATOM 715 CB ARG A 44 -2.345 -11.913 -6.728 1.00 0.00 C ATOM 716 CG ARG A 44 -1.289 -12.182 -7.789 1.00 0.00 C ATOM 717 CD ARG A 44 -1.838 -12.463 -9.141 1.00 0.00 C ATOM 718 NE ARG A 44 -2.484 -11.327 -9.777 1.00 0.00 N ATOM 719 CZ ARG A 44 -3.254 -11.402 -10.880 1.00 0.00 C ATOM 720 NH1 ARG A 44 -3.447 -12.550 -11.494 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.793 -10.288 -11.344 1.00 0.00 N ATOM 0 H ARG A 44 -3.689 -11.091 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.263 -12.656 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.059 -12.737 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.895 -11.013 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.625 -11.320 -7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.681 -13.030 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.029 -12.811 -9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.557 -13.278 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.344 -10.407 -9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.011 -13.400 -11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.033 -12.590 -12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.621 -9.402 -10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.380 -10.314 -12.177 1.00 0.00 H new ATOM 735 N MET A 45 -1.347 -9.382 -4.970 1.00 0.00 N ATOM 736 CA MET A 45 -0.512 -8.197 -4.812 1.00 0.00 C ATOM 737 C MET A 45 0.261 -8.250 -3.498 1.00 0.00 C ATOM 738 O MET A 45 -0.321 -8.471 -2.435 1.00 0.00 O ATOM 739 CB MET A 45 -1.368 -6.934 -4.874 1.00 0.00 C ATOM 740 CG MET A 45 -0.581 -5.634 -4.792 1.00 0.00 C ATOM 741 SD MET A 45 -0.188 -5.165 -3.096 1.00 0.00 S ATOM 742 CE MET A 45 -1.811 -4.722 -2.483 1.00 0.00 C ATOM 0 H MET A 45 -2.347 -9.211 -4.864 1.00 0.00 H new ATOM 0 HA MET A 45 0.208 -8.174 -5.630 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.937 -6.941 -5.803 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.090 -6.959 -4.058 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.344 -5.737 -5.360 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.156 -4.836 -5.262 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.732 -3.837 -1.851 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.472 -4.510 -3.323 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.218 -5.549 -1.901 1.00 0.00 H new ATOM 752 N GLN A 46 1.571 -8.045 -3.579 1.00 0.00 N ATOM 753 CA GLN A 46 2.413 -8.010 -2.388 1.00 0.00 C ATOM 754 C GLN A 46 2.826 -6.579 -2.055 1.00 0.00 C ATOM 755 O GLN A 46 3.434 -5.891 -2.875 1.00 0.00 O ATOM 756 CB GLN A 46 3.659 -8.877 -2.585 1.00 0.00 C ATOM 757 CG GLN A 46 4.573 -8.937 -1.373 1.00 0.00 C ATOM 758 CD GLN A 46 5.728 -9.902 -1.567 1.00 0.00 C ATOM 759 OE1 GLN A 46 5.836 -10.563 -2.603 1.00 0.00 O ATOM 760 NE2 GLN A 46 6.596 -9.992 -0.566 1.00 0.00 N ATOM 0 H GLN A 46 2.073 -7.901 -4.455 1.00 0.00 H new ATOM 0 HA GLN A 46 1.832 -8.408 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.347 -9.889 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.225 -8.493 -3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.966 -7.941 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.994 -9.238 -0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.468 -9.426 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.391 -10.627 -0.636 1.00 0.00 H new ATOM 769 N LEU A 47 2.493 -6.139 -0.847 1.00 0.00 N ATOM 770 CA LEU A 47 2.693 -4.747 -0.458 1.00 0.00 C ATOM 771 C LEU A 47 3.664 -4.646 0.715 1.00 0.00 C ATOM 772 O LEU A 47 3.410 -5.184 1.793 1.00 0.00 O ATOM 773 CB LEU A 47 1.352 -4.096 -0.101 1.00 0.00 C ATOM 774 CG LEU A 47 1.422 -2.601 0.237 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.779 -1.800 -1.009 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.087 -2.145 0.807 1.00 0.00 C ATOM 0 H LEU A 47 2.083 -6.725 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 47 3.126 -4.214 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.666 -4.231 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.925 -4.625 0.751 1.00 0.00 H new ATOM 0 HG LEU A 47 2.198 -2.433 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.826 -0.740 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.748 -2.127 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.019 -1.959 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.138 -1.083 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.699 -2.314 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.135 -2.711 1.712 1.00 0.00 H new ATOM 788 N TYR A 48 4.776 -3.952 0.497 1.00 0.00 N ATOM 789 CA TYR A 48 5.788 -3.787 1.533 1.00 0.00 C ATOM 790 C TYR A 48 6.323 -2.359 1.549 1.00 0.00 C ATOM 791 O TYR A 48 6.382 -1.694 0.514 1.00 0.00 O ATOM 792 CB TYR A 48 6.937 -4.777 1.324 1.00 0.00 C ATOM 793 CG TYR A 48 7.526 -4.748 -0.069 1.00 0.00 C ATOM 794 CD1 TYR A 48 6.949 -5.474 -1.100 1.00 0.00 C ATOM 795 CD2 TYR A 48 8.657 -3.995 -0.348 1.00 0.00 C ATOM 796 CE1 TYR A 48 7.481 -5.452 -2.374 1.00 0.00 C ATOM 797 CE2 TYR A 48 9.198 -3.965 -1.620 1.00 0.00 C ATOM 798 CZ TYR A 48 8.607 -4.696 -2.630 1.00 0.00 C ATOM 799 OH TYR A 48 9.143 -4.670 -3.898 1.00 0.00 O ATOM 0 H TYR A 48 4.999 -3.495 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 48 5.320 -3.990 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.725 -4.561 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.578 -5.784 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.068 -6.067 -0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.122 -3.423 0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.019 -6.023 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.078 -3.373 -1.822 1.00 0.00 H new ATOM 0 HH TYR A 48 9.932 -4.089 -3.908 1.00 0.00 H new ATOM 809 N TYR A 49 6.713 -1.892 2.731 1.00 0.00 N ATOM 810 CA TYR A 49 7.106 -0.500 2.913 1.00 0.00 C ATOM 811 C TYR A 49 8.492 -0.403 3.543 1.00 0.00 C ATOM 812 O TYR A 49 8.816 -1.141 4.474 1.00 0.00 O ATOM 813 CB TYR A 49 6.079 0.238 3.776 1.00 0.00 C ATOM 814 CG TYR A 49 6.534 1.605 4.234 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.867 2.590 3.317 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.628 1.908 5.585 1.00 0.00 C ATOM 817 CE1 TYR A 49 7.283 3.841 3.730 1.00 0.00 C ATOM 818 CE2 TYR A 49 7.042 3.154 6.010 1.00 0.00 C ATOM 819 CZ TYR A 49 7.369 4.119 5.079 1.00 0.00 C ATOM 820 OH TYR A 49 7.782 5.364 5.497 1.00 0.00 O ATOM 0 H TYR A 49 6.765 -2.458 3.578 1.00 0.00 H new ATOM 0 HA TYR A 49 7.143 -0.028 1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.153 0.344 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.850 -0.370 4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.800 2.375 2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.373 1.156 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.539 4.596 3.002 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.110 3.373 7.065 1.00 0.00 H new ATOM 0 HH TYR A 49 7.786 5.395 6.476 1.00 0.00 H new ATOM 830 N SER A 50 9.306 0.514 3.029 1.00 0.00 N ATOM 831 CA SER A 50 10.609 0.795 3.617 1.00 0.00 C ATOM 832 C SER A 50 10.539 0.755 5.141 1.00 0.00 C ATOM 833 O SER A 50 9.672 1.384 5.749 1.00 0.00 O ATOM 834 CB SER A 50 11.118 2.143 3.144 1.00 0.00 C ATOM 835 OG SER A 50 12.363 2.461 3.701 1.00 0.00 O ATOM 0 H SER A 50 9.085 1.075 2.206 1.00 0.00 H new ATOM 0 HA SER A 50 11.306 0.023 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.198 2.139 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.396 2.916 3.407 1.00 0.00 H new ATOM 0 HG SER A 50 12.656 3.336 3.370 1.00 0.00 H new ATOM 841 N GLY A 51 11.455 0.010 5.751 1.00 0.00 N ATOM 842 CA GLY A 51 11.403 -0.202 7.186 1.00 0.00 C ATOM 843 C GLY A 51 10.576 -1.415 7.562 1.00 0.00 C ATOM 844 O GLY A 51 11.069 -2.543 7.537 1.00 0.00 O ATOM 0 H GLY A 51 12.232 -0.451 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.416 -0.324 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.984 0.683 7.666 1.00 0.00 H new ATOM 848 N ILE A 52 9.315 -1.184 7.911 1.00 0.00 N ATOM 849 CA ILE A 52 8.429 -2.263 8.329 1.00 0.00 C ATOM 850 C ILE A 52 7.610 -2.788 7.154 1.00 0.00 C ATOM 851 O ILE A 52 6.971 -2.018 6.438 1.00 0.00 O ATOM 852 CB ILE A 52 7.473 -1.809 9.448 1.00 0.00 C ATOM 853 CG1 ILE A 52 8.267 -1.360 10.678 1.00 0.00 C ATOM 854 CG2 ILE A 52 6.509 -2.928 9.811 1.00 0.00 C ATOM 855 CD1 ILE A 52 7.427 -0.671 11.728 1.00 0.00 C ATOM 0 H ILE A 52 8.884 -0.259 7.913 1.00 0.00 H new ATOM 0 HA ILE A 52 9.064 -3.062 8.711 1.00 0.00 H new ATOM 0 HB ILE A 52 6.892 -0.961 9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.749 -2.229 11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.061 -0.684 10.360 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.841 -2.590 10.603 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.923 -3.202 8.934 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.072 -3.795 10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.059 -0.383 12.568 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.966 0.218 11.299 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.649 -1.351 12.076 1.00 0.00 H new ATOM 867 N GLU A 53 7.635 -4.104 6.963 1.00 0.00 N ATOM 868 CA GLU A 53 6.850 -4.737 5.911 1.00 0.00 C ATOM 869 C GLU A 53 5.365 -4.738 6.264 1.00 0.00 C ATOM 870 O GLU A 53 4.985 -5.054 7.392 1.00 0.00 O ATOM 871 CB GLU A 53 7.336 -6.167 5.665 1.00 0.00 C ATOM 872 CG GLU A 53 6.612 -6.894 4.541 1.00 0.00 C ATOM 873 CD GLU A 53 7.159 -8.279 4.344 1.00 0.00 C ATOM 874 OE1 GLU A 53 8.049 -8.654 5.069 1.00 0.00 O ATOM 875 OE2 GLU A 53 6.614 -9.004 3.545 1.00 0.00 O ATOM 0 H GLU A 53 8.190 -4.751 7.523 1.00 0.00 H new ATOM 0 HA GLU A 53 6.985 -4.159 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.402 -6.141 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.221 -6.740 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.547 -6.950 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.711 -6.327 3.615 1.00 0.00 H new ATOM 882 N LEU A 54 4.531 -4.381 5.293 1.00 0.00 N ATOM 883 CA LEU A 54 3.108 -4.184 5.542 1.00 0.00 C ATOM 884 C LEU A 54 2.349 -5.504 5.437 1.00 0.00 C ATOM 885 O LEU A 54 1.470 -5.661 4.590 1.00 0.00 O ATOM 886 CB LEU A 54 2.534 -3.156 4.558 1.00 0.00 C ATOM 887 CG LEU A 54 3.265 -1.808 4.522 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.589 -0.873 3.528 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.275 -1.198 5.915 1.00 0.00 C ATOM 0 H LEU A 54 4.816 -4.222 4.327 1.00 0.00 H new ATOM 0 HA LEU A 54 2.987 -3.804 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.550 -3.587 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.489 -2.978 4.812 1.00 0.00 H new ATOM 0 HG LEU A 54 4.295 -1.962 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.116 0.081 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.613 -1.320 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.554 -0.710 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.795 -0.240 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.250 -1.046 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.788 -1.870 6.603 1.00 0.00 H new ATOM 901 N ALA A 55 2.694 -6.449 6.305 1.00 0.00 N ATOM 902 CA ALA A 55 2.142 -7.796 6.227 1.00 0.00 C ATOM 903 C ALA A 55 0.958 -7.960 7.174 1.00 0.00 C ATOM 904 O ALA A 55 0.206 -8.929 7.080 1.00 0.00 O ATOM 905 CB ALA A 55 3.217 -8.825 6.539 1.00 0.00 C ATOM 0 H ALA A 55 3.353 -6.307 7.070 1.00 0.00 H new ATOM 0 HA ALA A 55 1.784 -7.957 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.791 -9.826 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.030 -8.731 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.602 -8.656 7.545 1.00 0.00 H new ATOM 911 N ASP A 56 0.800 -7.006 8.086 1.00 0.00 N ATOM 912 CA ASP A 56 -0.263 -7.069 9.081 1.00 0.00 C ATOM 913 C ASP A 56 -1.421 -6.150 8.699 1.00 0.00 C ATOM 914 O ASP A 56 -1.288 -4.927 8.725 1.00 0.00 O ATOM 915 CB ASP A 56 0.272 -6.695 10.465 1.00 0.00 C ATOM 916 CG ASP A 56 -0.753 -6.803 11.587 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.906 -7.013 11.293 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.355 -6.833 12.726 1.00 0.00 O ATOM 0 H ASP A 56 1.395 -6.180 8.156 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.632 -8.094 9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.119 -7.340 10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.649 -5.673 10.431 1.00 0.00 H new ATOM 923 N ASP A 57 -2.552 -6.749 8.343 1.00 0.00 N ATOM 924 CA ASP A 57 -3.688 -5.993 7.829 1.00 0.00 C ATOM 925 C ASP A 57 -4.240 -5.050 8.893 1.00 0.00 C ATOM 926 O ASP A 57 -4.777 -3.987 8.578 1.00 0.00 O ATOM 927 CB ASP A 57 -4.786 -6.939 7.340 1.00 0.00 C ATOM 928 CG ASP A 57 -4.459 -7.668 6.044 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.504 -7.298 5.402 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.063 -8.681 5.786 1.00 0.00 O ATOM 0 H ASP A 57 -2.707 -7.756 8.401 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.341 -5.395 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.985 -7.677 8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.704 -6.368 7.200 1.00 0.00 H new ATOM 935 N TYR A 58 -4.104 -5.444 10.155 1.00 0.00 N ATOM 936 CA TYR A 58 -4.853 -4.818 11.237 1.00 0.00 C ATOM 937 C TYR A 58 -4.111 -3.599 11.778 1.00 0.00 C ATOM 938 O TYR A 58 -4.640 -2.853 12.603 1.00 0.00 O ATOM 939 CB TYR A 58 -5.111 -5.823 12.362 1.00 0.00 C ATOM 940 CG TYR A 58 -6.030 -6.959 11.970 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.407 -6.797 11.985 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.517 -8.191 11.589 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.251 -7.831 11.629 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.352 -9.232 11.230 1.00 0.00 C ATOM 945 CZ TYR A 58 -7.720 -9.047 11.252 1.00 0.00 C ATOM 946 OH TYR A 58 -8.555 -10.081 10.897 1.00 0.00 O ATOM 0 H TYR A 58 -3.481 -6.195 10.453 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.811 -4.487 10.837 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.158 -6.237 12.692 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.542 -5.297 13.214 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.827 -5.847 12.280 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.447 -8.339 11.573 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.321 -7.688 11.646 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.937 -10.184 10.934 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.020 -10.866 10.658 1.00 0.00 H new ATOM 956 N ARG A 59 -2.885 -3.404 11.307 1.00 0.00 N ATOM 957 CA ARG A 59 -2.086 -2.253 11.709 1.00 0.00 C ATOM 958 C ARG A 59 -2.468 -1.017 10.899 1.00 0.00 C ATOM 959 O ARG A 59 -2.818 -1.116 9.724 1.00 0.00 O ATOM 960 CB ARG A 59 -0.592 -2.534 11.631 1.00 0.00 C ATOM 961 CG ARG A 59 -0.056 -3.445 12.724 1.00 0.00 C ATOM 962 CD ARG A 59 1.405 -3.701 12.644 1.00 0.00 C ATOM 963 NE ARG A 59 1.906 -4.645 13.631 1.00 0.00 N ATOM 964 CZ ARG A 59 2.210 -4.331 14.905 1.00 0.00 C ATOM 965 NH1 ARG A 59 2.102 -3.096 15.342 1.00 0.00 N ATOM 966 NH2 ARG A 59 2.643 -5.294 15.699 1.00 0.00 N ATOM 0 H ARG A 59 -2.423 -4.028 10.646 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.310 -2.052 12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.371 -2.983 10.663 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.056 -1.586 11.672 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.283 -3.002 13.694 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.583 -4.398 12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.642 -4.076 11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.934 -2.755 12.763 1.00 0.00 H new ATOM 0 HE ARG A 59 2.036 -5.613 13.337 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.784 -2.359 14.713 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.336 -2.875 16.310 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.739 -6.245 15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.881 -5.087 16.669 1.00 0.00 H new ATOM 980 N ASN A 60 -2.400 0.148 11.537 1.00 0.00 N ATOM 981 CA ASN A 60 -2.799 1.394 10.896 1.00 0.00 C ATOM 982 C ASN A 60 -1.653 1.971 10.069 1.00 0.00 C ATOM 983 O ASN A 60 -0.483 1.685 10.324 1.00 0.00 O ATOM 984 CB ASN A 60 -3.281 2.413 11.912 1.00 0.00 C ATOM 985 CG ASN A 60 -4.521 1.992 12.651 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.581 1.774 12.052 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.417 1.956 13.955 1.00 0.00 N ATOM 0 H ASN A 60 -2.072 0.254 12.497 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.630 1.166 10.229 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.485 2.598 12.633 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.476 3.357 11.402 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.234 1.740 14.526 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.519 2.144 14.400 1.00 0.00 H new ATOM 994 N LEU A 61 -2.000 2.785 9.077 1.00 0.00 N ATOM 995 CA LEU A 61 -0.999 3.483 8.275 1.00 0.00 C ATOM 996 C LEU A 61 -0.151 4.405 9.146 1.00 0.00 C ATOM 997 O LEU A 61 1.070 4.456 9.007 1.00 0.00 O ATOM 998 CB LEU A 61 -1.677 4.279 7.154 1.00 0.00 C ATOM 999 CG LEU A 61 -2.350 3.432 6.067 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.132 4.327 5.116 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.292 2.639 5.313 1.00 0.00 C ATOM 0 H LEU A 61 -2.965 2.978 8.809 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.340 2.739 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.427 4.934 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.932 4.920 6.683 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.048 2.735 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.606 3.716 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.897 4.868 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.454 5.039 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.770 2.037 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.583 3.326 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.764 1.985 6.007 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.809 5.130 10.048 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.106 5.937 11.039 1.00 0.00 C ATOM 1015 C ASN A 62 0.712 5.055 11.977 1.00 0.00 C ATOM 1016 O ASN A 62 1.796 5.437 12.415 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.065 6.803 11.832 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.382 7.820 12.704 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.270 8.749 12.215 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.462 7.604 13.993 1.00 0.00 N ATOM 0 H ASN A 62 -1.826 5.174 10.112 1.00 0.00 H new ATOM 0 HA ASN A 62 0.574 6.596 10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.731 7.319 11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.688 6.162 12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.028 8.217 14.644 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.014 6.822 14.346 1.00 0.00 H new ATOM 1027 N GLU A 63 0.184 3.873 12.281 1.00 0.00 N ATOM 1028 CA GLU A 63 0.872 2.931 13.155 1.00 0.00 C ATOM 1029 C GLU A 63 2.180 2.462 12.527 1.00 0.00 C ATOM 1030 O GLU A 63 3.154 2.184 13.229 1.00 0.00 O ATOM 1031 CB GLU A 63 -0.026 1.732 13.466 1.00 0.00 C ATOM 1032 CG GLU A 63 0.554 0.760 14.484 1.00 0.00 C ATOM 1033 CD GLU A 63 -0.421 -0.339 14.805 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.502 -0.324 14.269 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -0.044 -1.256 15.498 1.00 0.00 O ATOM 0 H GLU A 63 -0.718 3.546 11.935 1.00 0.00 H new ATOM 0 HA GLU A 63 1.104 3.445 14.088 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.984 2.097 13.835 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.226 1.193 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.476 0.329 14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.814 1.297 15.396 1.00 0.00 H new ATOM 1042 N TYR A 64 2.196 2.376 11.201 1.00 0.00 N ATOM 1043 CA TYR A 64 3.394 1.973 10.477 1.00 0.00 C ATOM 1044 C TYR A 64 4.387 3.128 10.382 1.00 0.00 C ATOM 1045 O TYR A 64 5.562 2.927 10.078 1.00 0.00 O ATOM 1046 CB TYR A 64 3.031 1.472 9.077 1.00 0.00 C ATOM 1047 CG TYR A 64 2.556 0.036 9.044 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.411 -1.003 9.377 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.255 -0.276 8.677 1.00 0.00 C ATOM 1050 CE1 TYR A 64 2.983 -2.317 9.349 1.00 0.00 C ATOM 1051 CE2 TYR A 64 0.816 -1.585 8.646 1.00 0.00 C ATOM 1052 CZ TYR A 64 1.684 -2.604 8.981 1.00 0.00 C ATOM 1053 OH TYR A 64 1.253 -3.910 8.951 1.00 0.00 O ATOM 0 H TYR A 64 1.392 2.580 10.607 1.00 0.00 H new ATOM 0 HA TYR A 64 3.865 1.160 11.030 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.251 2.112 8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.902 1.571 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.429 -0.782 9.663 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.574 0.519 8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.661 -3.115 9.614 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.201 -1.810 8.361 1.00 0.00 H new ATOM 0 HH TYR A 64 0.281 -3.931 8.831 1.00 0.00 H new ATOM 1063 N GLY A 65 3.903 4.338 10.642 1.00 0.00 N ATOM 1064 CA GLY A 65 4.728 5.521 10.469 1.00 0.00 C ATOM 1065 C GLY A 65 4.718 6.033 9.043 1.00 0.00 C ATOM 1066 O GLY A 65 5.655 6.705 8.612 1.00 0.00 O ATOM 0 H GLY A 65 2.955 4.521 10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.374 6.307 11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.753 5.291 10.762 1.00 0.00 H new ATOM 1070 N ILE A 66 3.658 5.713 8.308 1.00 0.00 N ATOM 1071 CA ILE A 66 3.559 6.089 6.903 1.00 0.00 C ATOM 1072 C ILE A 66 3.078 7.529 6.753 1.00 0.00 C ATOM 1073 O ILE A 66 2.038 7.908 7.295 1.00 0.00 O ATOM 1074 CB ILE A 66 2.608 5.155 6.134 1.00 0.00 C ATOM 1075 CG1 ILE A 66 3.163 3.728 6.113 1.00 0.00 C ATOM 1076 CG2 ILE A 66 2.392 5.665 4.718 1.00 0.00 C ATOM 1077 CD1 ILE A 66 2.162 2.689 5.660 1.00 0.00 C ATOM 0 H ILE A 66 2.855 5.194 8.663 1.00 0.00 H new ATOM 0 HA ILE A 66 4.559 5.998 6.480 1.00 0.00 H new ATOM 0 HB ILE A 66 1.645 5.143 6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.030 3.695 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.513 3.470 7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.717 4.993 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.956 6.663 4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.348 5.705 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.629 1.704 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.305 2.692 6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.830 2.921 4.648 1.00 0.00 H new ATOM 1089 N THR A 67 3.840 8.328 6.012 1.00 0.00 N ATOM 1090 CA THR A 67 3.601 9.763 5.945 1.00 0.00 C ATOM 1091 C THR A 67 3.047 10.165 4.583 1.00 0.00 C ATOM 1092 O THR A 67 2.815 9.317 3.722 1.00 0.00 O ATOM 1093 CB THR A 67 4.887 10.563 6.222 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.811 10.379 5.141 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.533 10.102 7.519 1.00 0.00 C ATOM 0 H THR A 67 4.628 8.005 5.450 1.00 0.00 H new ATOM 0 HA THR A 67 2.867 9.996 6.716 1.00 0.00 H new ATOM 0 HB THR A 67 4.628 11.618 6.312 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.904 9.422 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.441 10.678 7.698 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.838 10.253 8.345 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.784 9.044 7.444 1.00 0.00 H new ATOM 1103 N GLU A 68 2.838 11.465 4.393 1.00 0.00 N ATOM 1104 CA GLU A 68 2.321 11.979 3.131 1.00 0.00 C ATOM 1105 C GLU A 68 3.386 11.913 2.040 1.00 0.00 C ATOM 1106 O GLU A 68 3.088 12.076 0.855 1.00 0.00 O ATOM 1107 CB GLU A 68 1.825 13.417 3.297 1.00 0.00 C ATOM 1108 CG GLU A 68 0.579 13.555 4.160 1.00 0.00 C ATOM 1109 CD GLU A 68 0.214 15.000 4.366 1.00 0.00 C ATOM 1110 OE1 GLU A 68 0.921 15.846 3.875 1.00 0.00 O ATOM 1111 OE2 GLU A 68 -0.830 15.255 4.918 1.00 0.00 O ATOM 0 H GLU A 68 3.019 12.180 5.097 1.00 0.00 H new ATOM 0 HA GLU A 68 1.481 11.352 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.624 14.016 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.618 13.833 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.252 13.031 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.749 13.079 5.126 1.00 0.00 H new ATOM 1118 N PHE A 69 4.628 11.674 2.447 1.00 0.00 N ATOM 1119 CA PHE A 69 5.749 11.659 1.514 1.00 0.00 C ATOM 1120 C PHE A 69 6.311 10.248 1.363 1.00 0.00 C ATOM 1121 O PHE A 69 7.220 10.014 0.567 1.00 0.00 O ATOM 1122 CB PHE A 69 6.845 12.620 1.978 1.00 0.00 C ATOM 1123 CG PHE A 69 6.390 14.047 2.097 1.00 0.00 C ATOM 1124 CD1 PHE A 69 6.225 14.835 0.968 1.00 0.00 C ATOM 1125 CD2 PHE A 69 6.125 14.605 3.340 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.807 16.147 1.075 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.707 15.917 3.450 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.549 16.688 2.317 1.00 0.00 C ATOM 0 H PHE A 69 4.884 11.488 3.417 1.00 0.00 H new ATOM 0 HA PHE A 69 5.385 11.989 0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.222 12.287 2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.678 12.571 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.426 14.417 -0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.247 14.007 4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.682 16.749 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.504 16.339 4.423 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.224 17.714 2.403 1.00 0.00 H new ATOM 1138 N SER A 70 5.764 9.314 2.133 1.00 0.00 N ATOM 1139 CA SER A 70 6.262 7.943 2.143 1.00 0.00 C ATOM 1140 C SER A 70 5.962 7.247 0.819 1.00 0.00 C ATOM 1141 O SER A 70 4.887 7.419 0.246 1.00 0.00 O ATOM 1142 CB SER A 70 5.653 7.173 3.298 1.00 0.00 C ATOM 1143 OG SER A 70 6.182 7.572 4.533 1.00 0.00 O ATOM 0 H SER A 70 4.976 9.481 2.758 1.00 0.00 H new ATOM 0 HA SER A 70 7.344 7.971 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.573 7.320 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.829 6.107 3.156 1.00 0.00 H new ATOM 0 HG SER A 70 6.721 6.845 4.908 1.00 0.00 H new ATOM 1149 N GLU A 71 6.920 6.461 0.340 1.00 0.00 N ATOM 1150 CA GLU A 71 6.720 5.652 -0.856 1.00 0.00 C ATOM 1151 C GLU A 71 6.664 4.167 -0.506 1.00 0.00 C ATOM 1152 O GLU A 71 7.535 3.653 0.197 1.00 0.00 O ATOM 1153 CB GLU A 71 7.830 5.914 -1.876 1.00 0.00 C ATOM 1154 CG GLU A 71 7.875 7.340 -2.404 1.00 0.00 C ATOM 1155 CD GLU A 71 9.060 7.551 -3.304 1.00 0.00 C ATOM 1156 OE1 GLU A 71 9.808 6.623 -3.500 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.156 8.606 -3.888 1.00 0.00 O ATOM 0 H GLU A 71 7.844 6.367 0.762 1.00 0.00 H new ATOM 0 HA GLU A 71 5.766 5.937 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.791 5.679 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.702 5.232 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.957 7.557 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.921 8.038 -1.568 1.00 0.00 H new ATOM 1164 N ILE A 72 5.636 3.487 -0.999 1.00 0.00 N ATOM 1165 CA ILE A 72 5.435 2.076 -0.691 1.00 0.00 C ATOM 1166 C ILE A 72 5.507 1.222 -1.952 1.00 0.00 C ATOM 1167 O ILE A 72 4.870 1.528 -2.960 1.00 0.00 O ATOM 1168 CB ILE A 72 4.081 1.836 0.004 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.969 2.697 1.265 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.912 0.364 0.343 1.00 0.00 C ATOM 1171 CD1 ILE A 72 2.610 2.640 1.923 1.00 0.00 C ATOM 0 H ILE A 72 4.929 3.890 -1.614 1.00 0.00 H new ATOM 0 HA ILE A 72 6.237 1.785 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 72 3.283 2.124 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.724 2.374 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.195 3.732 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.951 0.212 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.950 -0.227 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.714 0.050 1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.608 3.275 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.852 2.991 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.389 1.613 2.212 1.00 0.00 H new ATOM 1183 N VAL A 73 6.287 0.148 -1.888 1.00 0.00 N ATOM 1184 CA VAL A 73 6.673 -0.590 -3.085 1.00 0.00 C ATOM 1185 C VAL A 73 5.908 -1.905 -3.189 1.00 0.00 C ATOM 1186 O VAL A 73 5.753 -2.626 -2.204 1.00 0.00 O ATOM 1187 CB VAL A 73 8.184 -0.883 -3.107 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.560 -1.646 -4.369 1.00 0.00 C ATOM 1189 CG2 VAL A 73 8.979 0.411 -3.012 1.00 0.00 C ATOM 0 H VAL A 73 6.664 -0.231 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 73 6.424 0.041 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 73 8.427 -1.502 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.632 -1.845 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.016 -2.590 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.302 -1.050 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.045 0.185 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.731 1.053 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.731 0.923 -2.082 1.00 0.00 H new ATOM 1199 N VAL A 74 5.429 -2.211 -4.391 1.00 0.00 N ATOM 1200 CA VAL A 74 4.616 -3.401 -4.610 1.00 0.00 C ATOM 1201 C VAL A 74 5.354 -4.422 -5.470 1.00 0.00 C ATOM 1202 O VAL A 74 5.981 -4.069 -6.469 1.00 0.00 O ATOM 1203 CB VAL A 74 3.273 -3.053 -5.281 1.00 0.00 C ATOM 1204 CG1 VAL A 74 2.500 -4.320 -5.616 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.446 -2.148 -4.380 1.00 0.00 C ATOM 0 H VAL A 74 5.590 -1.651 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 74 4.419 -3.832 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 74 3.480 -2.520 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.554 -4.055 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.087 -4.935 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.304 -4.879 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.501 -1.912 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.249 -2.656 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.995 -1.226 -4.188 1.00 0.00 H new ATOM 1215 N PHE A 75 5.273 -5.688 -5.075 1.00 0.00 N ATOM 1216 CA PHE A 75 5.779 -6.778 -5.901 1.00 0.00 C ATOM 1217 C PHE A 75 4.629 -7.578 -6.507 1.00 0.00 C ATOM 1218 O PHE A 75 3.679 -7.945 -5.814 1.00 0.00 O ATOM 1219 CB PHE A 75 6.687 -7.696 -5.079 1.00 0.00 C ATOM 1220 CG PHE A 75 7.237 -8.857 -5.857 1.00 0.00 C ATOM 1221 CD1 PHE A 75 8.323 -8.691 -6.705 1.00 0.00 C ATOM 1222 CD2 PHE A 75 6.672 -10.118 -5.743 1.00 0.00 C ATOM 1223 CE1 PHE A 75 8.830 -9.758 -7.421 1.00 0.00 C ATOM 1224 CE2 PHE A 75 7.178 -11.187 -6.457 1.00 0.00 C ATOM 1225 CZ PHE A 75 8.258 -11.007 -7.297 1.00 0.00 C ATOM 0 H PHE A 75 4.862 -5.984 -4.190 1.00 0.00 H new ATOM 0 HA PHE A 75 6.362 -6.345 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.516 -7.111 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.127 -8.076 -4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.777 -7.716 -6.806 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.826 -10.266 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.675 -9.614 -8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.728 -12.164 -6.358 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.654 -11.842 -7.856 1.00 0.00 H new