USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 9 MET CE :methyl 177:sc= -0.691 (180deg=-0.724) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.208 F(o=-2.6!,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 28:sc= 0.19 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -64:sc= 1.28 USER MOD Single : A 29 ASN : amide:sc=-0.00172 X(o=-0.0017,f=-0.0017) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 162:sc= 0.122 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-0.95) USER MOD Single : A 40 TYR OH : rot 18:sc= 1.47 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0108 F(o=-1.1,f=-0.011) USER MOD Single : A 70 ASN : amide:sc= -1.92! C(o=-1.9!,f=-10!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 1.07 (180deg=0.952) USER MOD Single : A 82 LYS NZ :NH3+ -126:sc= 0.09 (180deg=-0.135) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -140:sc= 0 USER MOD Single : A 86 MET CE :methyl 160:sc= -0.134 (180deg=-0.668) USER MOD Single : A 87 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.817 -14.922 7.348 1.00 30.21 N ATOM 38 CA VAL A 5 -12.442 -13.834 6.671 1.00 4.25 C ATOM 39 C VAL A 5 -13.950 -14.070 6.633 1.00 13.21 C ATOM 40 O VAL A 5 -14.400 -15.082 6.096 1.00 40.02 O ATOM 41 CB VAL A 5 -11.926 -13.724 5.229 1.00 4.13 C ATOM 42 CG1 VAL A 5 -12.346 -12.411 4.597 1.00 41.31 C ATOM 43 CG2 VAL A 5 -10.435 -13.907 5.164 1.00 30.00 C ATOM 0 HA VAL A 5 -12.210 -12.912 7.204 1.00 4.25 H new ATOM 0 HB VAL A 5 -12.380 -14.531 4.654 1.00 4.13 H new ATOM 0 HG11 VAL A 5 -11.967 -12.361 3.576 1.00 41.31 H new ATOM 0 HG12 VAL A 5 -13.434 -12.345 4.583 1.00 41.31 H new ATOM 0 HG13 VAL A 5 -11.940 -11.582 5.176 1.00 41.31 H new ATOM 0 HG21 VAL A 5 -10.103 -13.823 4.129 1.00 30.00 H new ATOM 0 HG22 VAL A 5 -9.948 -13.139 5.765 1.00 30.00 H new ATOM 0 HG23 VAL A 5 -10.172 -14.892 5.551 1.00 30.00 H new ATOM 53 N PRO A 6 -14.748 -13.169 7.218 1.00 15.33 N ATOM 54 CA PRO A 6 -16.201 -13.296 7.201 1.00 64.23 C ATOM 55 C PRO A 6 -16.740 -13.064 5.808 1.00 34.04 C ATOM 56 O PRO A 6 -16.131 -12.315 5.018 1.00 75.52 O ATOM 57 CB PRO A 6 -16.697 -12.166 8.110 1.00 22.24 C ATOM 58 CG PRO A 6 -15.487 -11.573 8.752 1.00 43.10 C ATOM 59 CD PRO A 6 -14.301 -11.966 7.928 1.00 24.41 C ATOM 0 HA PRO A 6 -16.521 -14.287 7.522 1.00 64.23 H new ATOM 0 HB2 PRO A 6 -17.238 -11.415 7.534 1.00 22.24 H new ATOM 0 HB3 PRO A 6 -17.387 -12.548 8.862 1.00 22.24 H new ATOM 0 HG2 PRO A 6 -15.574 -10.488 8.805 1.00 43.10 H new ATOM 0 HG3 PRO A 6 -15.380 -11.934 9.775 1.00 43.10 H new ATOM 0 HD2 PRO A 6 -14.017 -11.175 7.234 1.00 24.41 H new ATOM 0 HD3 PRO A 6 -13.431 -12.170 8.552 1.00 24.41 H new ATOM 67 N ALA A 7 -17.873 -13.667 5.491 1.00 74.34 N ATOM 68 CA ALA A 7 -18.499 -13.447 4.234 1.00 73.34 C ATOM 69 C ALA A 7 -19.231 -12.119 4.268 1.00 41.51 C ATOM 70 O ALA A 7 -20.460 -12.041 4.388 1.00 72.23 O ATOM 71 CB ALA A 7 -19.400 -14.594 3.830 1.00 45.41 C ATOM 0 H ALA A 7 -18.368 -14.315 6.104 1.00 74.34 H new ATOM 0 HA ALA A 7 -17.730 -13.402 3.463 1.00 73.34 H new ATOM 0 HB1 ALA A 7 -19.854 -14.377 2.863 1.00 45.41 H new ATOM 0 HB2 ALA A 7 -18.813 -15.510 3.758 1.00 45.41 H new ATOM 0 HB3 ALA A 7 -20.183 -14.723 4.578 1.00 45.41 H new ATOM 77 N ASP A 8 -18.424 -11.098 4.249 1.00 32.22 N ATOM 78 CA ASP A 8 -18.805 -9.706 4.304 1.00 20.11 C ATOM 79 C ASP A 8 -17.564 -8.880 4.021 1.00 44.32 C ATOM 80 O ASP A 8 -17.629 -7.785 3.477 1.00 54.25 O ATOM 81 CB ASP A 8 -19.355 -9.355 5.696 1.00 3.23 C ATOM 82 CG ASP A 8 -19.672 -7.888 5.852 1.00 43.03 C ATOM 83 OD1 ASP A 8 -20.707 -7.428 5.321 1.00 61.12 O ATOM 84 OD2 ASP A 8 -18.914 -7.178 6.519 1.00 71.34 O ATOM 0 H ASP A 8 -17.413 -11.218 4.191 1.00 32.22 H new ATOM 0 HA ASP A 8 -19.585 -9.500 3.571 1.00 20.11 H new ATOM 0 HB2 ASP A 8 -20.257 -9.938 5.882 1.00 3.23 H new ATOM 0 HB3 ASP A 8 -18.626 -9.646 6.453 1.00 3.23 H new ATOM 89 N MET A 9 -16.420 -9.449 4.370 1.00 24.33 N ATOM 90 CA MET A 9 -15.132 -8.811 4.166 1.00 3.12 C ATOM 91 C MET A 9 -14.352 -9.608 3.150 1.00 52.32 C ATOM 92 O MET A 9 -14.667 -10.778 2.897 1.00 33.04 O ATOM 93 CB MET A 9 -14.321 -8.795 5.478 1.00 3.33 C ATOM 94 CG MET A 9 -14.974 -8.059 6.637 1.00 55.30 C ATOM 95 SD MET A 9 -15.167 -6.287 6.351 1.00 22.22 S ATOM 96 CE MET A 9 -13.452 -5.769 6.293 1.00 12.31 C ATOM 0 H MET A 9 -16.361 -10.370 4.804 1.00 24.33 H new ATOM 0 HA MET A 9 -15.298 -7.789 3.827 1.00 3.12 H new ATOM 0 HB2 MET A 9 -14.134 -9.825 5.783 1.00 3.33 H new ATOM 0 HB3 MET A 9 -13.351 -8.339 5.280 1.00 3.33 H new ATOM 0 HG2 MET A 9 -15.954 -8.496 6.828 1.00 55.30 H new ATOM 0 HG3 MET A 9 -14.376 -8.211 7.536 1.00 55.30 H new ATOM 0 HE1 MET A 9 -13.401 -4.703 6.069 1.00 12.31 H new ATOM 0 HE2 MET A 9 -12.981 -5.960 7.257 1.00 12.31 H new ATOM 0 HE3 MET A 9 -12.929 -6.328 5.517 1.00 12.31 H new ATOM 106 N ILE A 10 -13.367 -8.994 2.565 1.00 53.15 N ATOM 107 CA ILE A 10 -12.458 -9.685 1.682 1.00 32.13 C ATOM 108 C ILE A 10 -11.027 -9.537 2.215 1.00 54.11 C ATOM 109 O ILE A 10 -10.657 -8.478 2.746 1.00 41.35 O ATOM 110 CB ILE A 10 -12.627 -9.255 0.160 1.00 51.01 C ATOM 111 CG1 ILE A 10 -12.539 -7.752 -0.075 1.00 62.44 C ATOM 112 CG2 ILE A 10 -13.903 -9.775 -0.442 1.00 54.10 C ATOM 113 CD1 ILE A 10 -11.154 -7.196 -0.137 1.00 50.34 C ATOM 0 H ILE A 10 -13.166 -8.001 2.682 1.00 53.15 H new ATOM 0 HA ILE A 10 -12.705 -10.747 1.679 1.00 32.13 H new ATOM 0 HB ILE A 10 -11.775 -9.716 -0.341 1.00 51.01 H new ATOM 0 HG12 ILE A 10 -13.050 -7.516 -1.009 1.00 62.44 H new ATOM 0 HG13 ILE A 10 -13.082 -7.244 0.722 1.00 62.44 H new ATOM 0 HG21 ILE A 10 -13.972 -9.455 -1.482 1.00 54.10 H new ATOM 0 HG22 ILE A 10 -13.909 -10.864 -0.397 1.00 54.10 H new ATOM 0 HG23 ILE A 10 -14.754 -9.384 0.115 1.00 54.10 H new ATOM 0 HD11 ILE A 10 -11.201 -6.120 -0.307 1.00 50.34 H new ATOM 0 HD12 ILE A 10 -10.641 -7.392 0.804 1.00 50.34 H new ATOM 0 HD13 ILE A 10 -10.608 -7.669 -0.953 1.00 50.34 H new ATOM 125 N ASN A 11 -10.247 -10.588 2.149 1.00 51.40 N ATOM 126 CA ASN A 11 -8.900 -10.532 2.693 1.00 34.24 C ATOM 127 C ASN A 11 -7.975 -10.168 1.582 1.00 64.42 C ATOM 128 O ASN A 11 -7.752 -10.951 0.660 1.00 44.11 O ATOM 129 CB ASN A 11 -8.511 -11.880 3.309 1.00 23.32 C ATOM 130 CG ASN A 11 -7.249 -11.875 4.201 1.00 24.45 C ATOM 131 OD1 ASN A 11 -6.303 -11.021 3.932 1.00 13.52 O flip ATOM 132 ND2 ASN A 11 -7.152 -12.656 5.137 1.00 23.53 N flip ATOM 0 H ASN A 11 -10.509 -11.481 1.733 1.00 51.40 H new ATOM 0 HA ASN A 11 -8.842 -9.787 3.486 1.00 34.24 H new ATOM 0 HB2 ASN A 11 -9.350 -12.242 3.902 1.00 23.32 H new ATOM 0 HB3 ASN A 11 -8.359 -12.596 2.502 1.00 23.32 H new ATOM 0 HD21 ASN A 11 -7.905 -13.317 5.330 1.00 23.53 H new ATOM 0 HD22 ASN A 11 -6.318 -12.647 5.725 1.00 23.53 H new ATOM 139 N LEU A 12 -7.446 -8.998 1.654 1.00 63.31 N ATOM 140 CA LEU A 12 -6.638 -8.493 0.598 1.00 63.32 C ATOM 141 C LEU A 12 -5.213 -8.269 1.033 1.00 1.52 C ATOM 142 O LEU A 12 -4.950 -7.697 2.095 1.00 41.10 O ATOM 143 CB LEU A 12 -7.255 -7.198 0.085 1.00 31.23 C ATOM 144 CG LEU A 12 -6.445 -6.392 -0.919 1.00 44.35 C ATOM 145 CD1 LEU A 12 -6.144 -7.176 -2.181 1.00 75.25 C ATOM 146 CD2 LEU A 12 -7.153 -5.103 -1.228 1.00 75.11 C ATOM 0 H LEU A 12 -7.560 -8.364 2.445 1.00 63.31 H new ATOM 0 HA LEU A 12 -6.607 -9.234 -0.201 1.00 63.32 H new ATOM 0 HB2 LEU A 12 -8.215 -7.439 -0.371 1.00 31.23 H new ATOM 0 HB3 LEU A 12 -7.461 -6.559 0.943 1.00 31.23 H new ATOM 0 HG LEU A 12 -5.480 -6.165 -0.466 1.00 44.35 H new ATOM 0 HD11 LEU A 12 -5.564 -6.556 -2.865 1.00 75.25 H new ATOM 0 HD12 LEU A 12 -5.572 -8.069 -1.927 1.00 75.25 H new ATOM 0 HD13 LEU A 12 -7.079 -7.468 -2.660 1.00 75.25 H new ATOM 0 HD21 LEU A 12 -6.568 -4.530 -1.948 1.00 75.11 H new ATOM 0 HD22 LEU A 12 -8.135 -5.319 -1.649 1.00 75.11 H new ATOM 0 HD23 LEU A 12 -7.270 -4.524 -0.312 1.00 75.11 H new ATOM 158 N ARG A 13 -4.309 -8.736 0.219 1.00 12.55 N ATOM 159 CA ARG A 13 -2.930 -8.491 0.414 1.00 11.31 C ATOM 160 C ARG A 13 -2.431 -7.574 -0.685 1.00 31.14 C ATOM 161 O ARG A 13 -2.514 -7.896 -1.873 1.00 41.32 O ATOM 162 CB ARG A 13 -2.166 -9.802 0.424 1.00 31.45 C ATOM 163 CG ARG A 13 -0.693 -9.652 0.711 1.00 54.44 C ATOM 164 CD ARG A 13 -0.090 -10.988 1.055 1.00 24.02 C ATOM 165 NE ARG A 13 -0.209 -11.976 -0.024 1.00 53.11 N ATOM 166 CZ ARG A 13 -0.775 -13.185 0.107 1.00 22.23 C ATOM 167 NH1 ARG A 13 -1.472 -13.494 1.203 1.00 13.00 N ATOM 168 NH2 ARG A 13 -0.685 -14.064 -0.882 1.00 22.52 N ATOM 0 H ARG A 13 -4.523 -9.301 -0.603 1.00 12.55 H new ATOM 0 HA ARG A 13 -2.770 -8.005 1.376 1.00 11.31 H new ATOM 0 HB2 ARG A 13 -2.606 -10.461 1.172 1.00 31.45 H new ATOM 0 HB3 ARG A 13 -2.289 -10.290 -0.543 1.00 31.45 H new ATOM 0 HG2 ARG A 13 -0.187 -9.230 -0.157 1.00 54.44 H new ATOM 0 HG3 ARG A 13 -0.545 -8.955 1.536 1.00 54.44 H new ATOM 0 HD2 ARG A 13 0.964 -10.851 1.298 1.00 24.02 H new ATOM 0 HD3 ARG A 13 -0.575 -11.378 1.950 1.00 24.02 H new ATOM 0 HE ARG A 13 0.166 -11.725 -0.939 1.00 53.11 H new ATOM 0 HH11 ARG A 13 -1.578 -12.808 1.950 1.00 13.00 H new ATOM 0 HH12 ARG A 13 -1.899 -14.416 1.293 1.00 13.00 H new ATOM 0 HH21 ARG A 13 -0.187 -13.819 -1.738 1.00 22.52 H new ATOM 0 HH22 ARG A 13 -1.114 -14.985 -0.787 1.00 22.52 H new ATOM 182 N LEU A 14 -1.916 -6.465 -0.273 1.00 42.41 N ATOM 183 CA LEU A 14 -1.389 -5.438 -1.150 1.00 73.01 C ATOM 184 C LEU A 14 0.119 -5.595 -1.216 1.00 14.25 C ATOM 185 O LEU A 14 0.796 -5.571 -0.178 1.00 32.14 O ATOM 186 CB LEU A 14 -1.753 -3.992 -0.621 1.00 73.03 C ATOM 187 CG LEU A 14 -3.247 -3.606 -0.513 1.00 55.41 C ATOM 188 CD1 LEU A 14 -3.959 -3.669 -1.843 1.00 75.00 C ATOM 189 CD2 LEU A 14 -3.986 -4.406 0.535 1.00 71.51 C ATOM 0 H LEU A 14 -1.841 -6.227 0.716 1.00 42.41 H new ATOM 0 HA LEU A 14 -1.831 -5.551 -2.140 1.00 73.01 H new ATOM 0 HB2 LEU A 14 -1.308 -3.878 0.367 1.00 73.03 H new ATOM 0 HB3 LEU A 14 -1.269 -3.267 -1.275 1.00 73.03 H new ATOM 0 HG LEU A 14 -3.254 -2.566 -0.187 1.00 55.41 H new ATOM 0 HD11 LEU A 14 -5.004 -3.389 -1.710 1.00 75.00 H new ATOM 0 HD12 LEU A 14 -3.485 -2.980 -2.542 1.00 75.00 H new ATOM 0 HD13 LEU A 14 -3.903 -4.683 -2.238 1.00 75.00 H new ATOM 0 HD21 LEU A 14 -5.029 -4.091 0.565 1.00 71.51 H new ATOM 0 HD22 LEU A 14 -3.934 -5.466 0.287 1.00 71.51 H new ATOM 0 HD23 LEU A 14 -3.529 -4.239 1.510 1.00 71.51 H new ATOM 201 N ILE A 15 0.656 -5.797 -2.397 1.00 74.10 N ATOM 202 CA ILE A 15 2.079 -5.941 -2.513 1.00 10.53 C ATOM 203 C ILE A 15 2.676 -4.663 -3.046 1.00 71.30 C ATOM 204 O ILE A 15 2.243 -4.148 -4.086 1.00 12.53 O ATOM 205 CB ILE A 15 2.512 -7.120 -3.422 1.00 73.12 C ATOM 206 CG1 ILE A 15 1.819 -8.423 -3.000 1.00 62.24 C ATOM 207 CG2 ILE A 15 4.033 -7.287 -3.352 1.00 42.34 C ATOM 208 CD1 ILE A 15 2.284 -9.642 -3.779 1.00 61.23 C ATOM 0 H ILE A 15 0.137 -5.864 -3.272 1.00 74.10 H new ATOM 0 HA ILE A 15 2.448 -6.160 -1.511 1.00 10.53 H new ATOM 0 HB ILE A 15 2.216 -6.897 -4.447 1.00 73.12 H new ATOM 0 HG12 ILE A 15 1.997 -8.592 -1.938 1.00 62.24 H new ATOM 0 HG13 ILE A 15 0.743 -8.310 -3.128 1.00 62.24 H new ATOM 0 HG21 ILE A 15 4.338 -8.116 -3.991 1.00 42.34 H new ATOM 0 HG22 ILE A 15 4.516 -6.371 -3.692 1.00 42.34 H new ATOM 0 HG23 ILE A 15 4.329 -7.494 -2.324 1.00 42.34 H new ATOM 0 HD11 ILE A 15 1.751 -10.525 -3.426 1.00 61.23 H new ATOM 0 HD12 ILE A 15 2.080 -9.495 -4.840 1.00 61.23 H new ATOM 0 HD13 ILE A 15 3.355 -9.782 -3.631 1.00 61.23 H new ATOM 220 N LEU A 16 3.647 -4.163 -2.340 1.00 43.33 N ATOM 221 CA LEU A 16 4.335 -2.954 -2.712 1.00 52.03 C ATOM 222 C LEU A 16 5.437 -3.263 -3.724 1.00 13.42 C ATOM 223 O LEU A 16 5.950 -4.388 -3.772 1.00 33.21 O ATOM 224 CB LEU A 16 4.946 -2.238 -1.470 1.00 72.35 C ATOM 225 CG LEU A 16 3.978 -1.619 -0.417 1.00 54.23 C ATOM 226 CD1 LEU A 16 3.107 -2.658 0.279 1.00 61.14 C ATOM 227 CD2 LEU A 16 4.758 -0.810 0.608 1.00 55.22 C ATOM 0 H LEU A 16 3.991 -4.586 -1.478 1.00 43.33 H new ATOM 0 HA LEU A 16 3.604 -2.284 -3.164 1.00 52.03 H new ATOM 0 HB2 LEU A 16 5.582 -2.956 -0.953 1.00 72.35 H new ATOM 0 HB3 LEU A 16 5.595 -1.441 -1.833 1.00 72.35 H new ATOM 0 HG LEU A 16 3.302 -0.962 -0.964 1.00 54.23 H new ATOM 0 HD11 LEU A 16 2.456 -2.163 1.000 1.00 61.14 H new ATOM 0 HD12 LEU A 16 2.499 -3.178 -0.461 1.00 61.14 H new ATOM 0 HD13 LEU A 16 3.742 -3.377 0.797 1.00 61.14 H new ATOM 0 HD21 LEU A 16 4.068 -0.384 1.337 1.00 55.22 H new ATOM 0 HD22 LEU A 16 5.470 -1.459 1.118 1.00 55.22 H new ATOM 0 HD23 LEU A 16 5.296 -0.007 0.105 1.00 55.22 H new ATOM 239 N VAL A 17 5.805 -2.265 -4.516 1.00 50.14 N ATOM 240 CA VAL A 17 6.873 -2.392 -5.514 1.00 40.40 C ATOM 241 C VAL A 17 8.231 -2.657 -4.865 1.00 63.43 C ATOM 242 O VAL A 17 9.153 -3.137 -5.508 1.00 61.50 O ATOM 243 CB VAL A 17 6.965 -1.149 -6.446 1.00 54.35 C ATOM 244 CG1 VAL A 17 5.694 -0.996 -7.259 1.00 70.42 C ATOM 245 CG2 VAL A 17 7.241 0.125 -5.646 1.00 12.35 C ATOM 0 H VAL A 17 5.374 -1.341 -4.489 1.00 50.14 H new ATOM 0 HA VAL A 17 6.607 -3.254 -6.126 1.00 40.40 H new ATOM 0 HB VAL A 17 7.800 -1.307 -7.129 1.00 54.35 H new ATOM 0 HG11 VAL A 17 5.778 -0.122 -7.904 1.00 70.42 H new ATOM 0 HG12 VAL A 17 5.544 -1.885 -7.871 1.00 70.42 H new ATOM 0 HG13 VAL A 17 4.845 -0.871 -6.587 1.00 70.42 H new ATOM 0 HG21 VAL A 17 7.300 0.976 -6.325 1.00 12.35 H new ATOM 0 HG22 VAL A 17 6.435 0.287 -4.930 1.00 12.35 H new ATOM 0 HG23 VAL A 17 8.185 0.022 -5.112 1.00 12.35 H new ATOM 255 N SER A 18 8.337 -2.350 -3.584 1.00 34.01 N ATOM 256 CA SER A 18 9.546 -2.590 -2.823 1.00 44.12 C ATOM 257 C SER A 18 9.616 -4.063 -2.375 1.00 30.02 C ATOM 258 O SER A 18 10.545 -4.475 -1.677 1.00 74.35 O ATOM 259 CB SER A 18 9.556 -1.660 -1.612 1.00 72.31 C ATOM 260 OG SER A 18 9.392 -0.308 -2.014 1.00 0.14 O ATOM 0 H SER A 18 7.584 -1.926 -3.043 1.00 34.01 H new ATOM 0 HA SER A 18 10.418 -2.388 -3.445 1.00 44.12 H new ATOM 0 HB2 SER A 18 8.756 -1.940 -0.926 1.00 72.31 H new ATOM 0 HB3 SER A 18 10.495 -1.772 -1.070 1.00 72.31 H new ATOM 0 HG SER A 18 9.399 0.271 -1.224 1.00 0.14 H new ATOM 266 N GLY A 19 8.619 -4.845 -2.779 1.00 43.43 N ATOM 267 CA GLY A 19 8.573 -6.247 -2.433 1.00 73.42 C ATOM 268 C GLY A 19 8.038 -6.462 -1.047 1.00 11.04 C ATOM 269 O GLY A 19 8.141 -7.549 -0.493 1.00 51.34 O ATOM 0 H GLY A 19 7.835 -4.523 -3.347 1.00 43.43 H new ATOM 0 HA2 GLY A 19 7.947 -6.778 -3.150 1.00 73.42 H new ATOM 0 HA3 GLY A 19 9.574 -6.673 -2.506 1.00 73.42 H new ATOM 273 N LYS A 20 7.469 -5.423 -0.489 1.00 40.45 N ATOM 274 CA LYS A 20 6.901 -5.487 0.833 1.00 52.14 C ATOM 275 C LYS A 20 5.466 -5.932 0.677 1.00 4.31 C ATOM 276 O LYS A 20 4.772 -5.448 -0.211 1.00 12.45 O ATOM 277 CB LYS A 20 6.916 -4.097 1.486 1.00 13.25 C ATOM 278 CG LYS A 20 8.269 -3.380 1.495 1.00 34.23 C ATOM 279 CD LYS A 20 9.343 -4.141 2.246 1.00 1.43 C ATOM 280 CE LYS A 20 10.631 -3.330 2.307 1.00 42.02 C ATOM 281 NZ LYS A 20 11.680 -3.992 3.115 1.00 74.30 N ATOM 0 H LYS A 20 7.387 -4.511 -0.938 1.00 40.45 H new ATOM 0 HA LYS A 20 7.473 -6.173 1.457 1.00 52.14 H new ATOM 0 HB2 LYS A 20 6.195 -3.465 0.968 1.00 13.25 H new ATOM 0 HB3 LYS A 20 6.572 -4.196 2.515 1.00 13.25 H new ATOM 0 HG2 LYS A 20 8.596 -3.222 0.467 1.00 34.23 H new ATOM 0 HG3 LYS A 20 8.148 -2.395 1.946 1.00 34.23 H new ATOM 0 HD2 LYS A 20 8.999 -4.364 3.256 1.00 1.43 H new ATOM 0 HD3 LYS A 20 9.531 -5.096 1.755 1.00 1.43 H new ATOM 0 HE2 LYS A 20 11.004 -3.169 1.295 1.00 42.02 H new ATOM 0 HE3 LYS A 20 10.418 -2.347 2.728 1.00 42.02 H new ATOM 0 HZ1 LYS A 20 12.535 -3.401 3.125 1.00 74.30 H new ATOM 0 HZ2 LYS A 20 11.338 -4.123 4.088 1.00 74.30 H new ATOM 0 HZ3 LYS A 20 11.905 -4.919 2.700 1.00 74.30 H new ATOM 295 N THR A 21 5.020 -6.832 1.484 1.00 33.05 N ATOM 296 CA THR A 21 3.666 -7.273 1.377 1.00 43.52 C ATOM 297 C THR A 21 2.888 -6.840 2.594 1.00 5.53 C ATOM 298 O THR A 21 3.319 -7.070 3.728 1.00 73.52 O ATOM 299 CB THR A 21 3.577 -8.802 1.214 1.00 31.43 C ATOM 300 OG1 THR A 21 4.218 -9.461 2.325 1.00 60.53 O ATOM 301 CG2 THR A 21 4.229 -9.253 -0.077 1.00 61.20 C ATOM 0 H THR A 21 5.566 -7.277 2.222 1.00 33.05 H new ATOM 0 HA THR A 21 3.236 -6.817 0.485 1.00 43.52 H new ATOM 0 HB THR A 21 2.521 -9.071 1.187 1.00 31.43 H new ATOM 0 HG1 THR A 21 4.178 -8.883 3.116 1.00 60.53 H new ATOM 0 HG21 THR A 21 4.151 -10.337 -0.165 1.00 61.20 H new ATOM 0 HG22 THR A 21 3.726 -8.783 -0.922 1.00 61.20 H new ATOM 0 HG23 THR A 21 5.280 -8.964 -0.074 1.00 61.20 H new ATOM 309 N LYS A 22 1.769 -6.224 2.383 1.00 74.22 N ATOM 310 CA LYS A 22 0.960 -5.791 3.477 1.00 74.23 C ATOM 311 C LYS A 22 -0.407 -6.416 3.321 1.00 31.23 C ATOM 312 O LYS A 22 -0.937 -6.458 2.224 1.00 33.01 O ATOM 313 CB LYS A 22 0.877 -4.255 3.464 1.00 60.22 C ATOM 314 CG LYS A 22 0.171 -3.640 4.661 1.00 5.21 C ATOM 315 CD LYS A 22 0.837 -4.036 5.978 1.00 52.05 C ATOM 316 CE LYS A 22 2.303 -3.623 6.039 1.00 44.53 C ATOM 317 NZ LYS A 22 2.936 -4.041 7.305 1.00 74.43 N ATOM 0 H LYS A 22 1.393 -6.009 1.459 1.00 74.22 H new ATOM 0 HA LYS A 22 1.386 -6.097 4.432 1.00 74.23 H new ATOM 0 HB2 LYS A 22 1.888 -3.852 3.411 1.00 60.22 H new ATOM 0 HB3 LYS A 22 0.361 -3.942 2.556 1.00 60.22 H new ATOM 0 HG2 LYS A 22 0.172 -2.554 4.565 1.00 5.21 H new ATOM 0 HG3 LYS A 22 -0.872 -3.958 4.671 1.00 5.21 H new ATOM 0 HD2 LYS A 22 0.299 -3.576 6.806 1.00 52.05 H new ATOM 0 HD3 LYS A 22 0.761 -5.115 6.109 1.00 52.05 H new ATOM 0 HE2 LYS A 22 2.841 -4.065 5.200 1.00 44.53 H new ATOM 0 HE3 LYS A 22 2.381 -2.541 5.933 1.00 44.53 H new ATOM 0 HZ1 LYS A 22 3.932 -3.743 7.310 1.00 74.43 H new ATOM 0 HZ2 LYS A 22 2.438 -3.599 8.104 1.00 74.43 H new ATOM 0 HZ3 LYS A 22 2.884 -5.076 7.394 1.00 74.43 H new ATOM 331 N GLU A 23 -0.979 -6.897 4.390 1.00 31.02 N ATOM 332 CA GLU A 23 -2.241 -7.567 4.281 1.00 4.51 C ATOM 333 C GLU A 23 -3.155 -7.149 5.424 1.00 70.12 C ATOM 334 O GLU A 23 -2.736 -7.127 6.584 1.00 31.21 O ATOM 335 CB GLU A 23 -2.011 -9.069 4.323 1.00 62.34 C ATOM 336 CG GLU A 23 -3.179 -9.897 3.862 1.00 20.44 C ATOM 337 CD GLU A 23 -2.950 -11.361 4.111 1.00 64.50 C ATOM 338 OE1 GLU A 23 -2.239 -12.018 3.315 1.00 52.24 O ATOM 339 OE2 GLU A 23 -3.448 -11.879 5.123 1.00 13.44 O ATOM 0 H GLU A 23 -0.596 -6.838 5.334 1.00 31.02 H new ATOM 0 HA GLU A 23 -2.717 -7.296 3.339 1.00 4.51 H new ATOM 0 HB2 GLU A 23 -1.147 -9.308 3.703 1.00 62.34 H new ATOM 0 HB3 GLU A 23 -1.760 -9.356 5.344 1.00 62.34 H new ATOM 0 HG2 GLU A 23 -4.082 -9.576 4.382 1.00 20.44 H new ATOM 0 HG3 GLU A 23 -3.347 -9.730 2.798 1.00 20.44 H new ATOM 346 N PHE A 24 -4.366 -6.799 5.085 1.00 12.31 N ATOM 347 CA PHE A 24 -5.399 -6.419 6.038 1.00 65.30 C ATOM 348 C PHE A 24 -6.729 -6.885 5.528 1.00 72.12 C ATOM 349 O PHE A 24 -6.872 -7.177 4.330 1.00 64.34 O ATOM 350 CB PHE A 24 -5.495 -4.895 6.249 1.00 42.30 C ATOM 351 CG PHE A 24 -4.339 -4.231 6.933 1.00 64.42 C ATOM 352 CD1 PHE A 24 -4.207 -4.300 8.308 1.00 2.24 C ATOM 353 CD2 PHE A 24 -3.403 -3.523 6.210 1.00 52.44 C ATOM 354 CE1 PHE A 24 -3.158 -3.675 8.946 1.00 72.54 C ATOM 355 CE2 PHE A 24 -2.356 -2.891 6.843 1.00 31.02 C ATOM 356 CZ PHE A 24 -2.230 -2.969 8.213 1.00 73.22 C ATOM 0 H PHE A 24 -4.680 -6.766 4.115 1.00 12.31 H new ATOM 0 HA PHE A 24 -5.133 -6.881 6.989 1.00 65.30 H new ATOM 0 HB2 PHE A 24 -5.628 -4.425 5.274 1.00 42.30 H new ATOM 0 HB3 PHE A 24 -6.395 -4.689 6.828 1.00 42.30 H new ATOM 0 HD1 PHE A 24 -4.934 -4.850 8.888 1.00 2.24 H new ATOM 0 HD2 PHE A 24 -3.492 -3.463 5.135 1.00 52.44 H new ATOM 0 HE1 PHE A 24 -3.063 -3.739 10.020 1.00 72.54 H new ATOM 0 HE2 PHE A 24 -1.633 -2.334 6.265 1.00 31.02 H new ATOM 0 HZ PHE A 24 -1.406 -2.478 8.710 1.00 73.22 H new ATOM 366 N LEU A 25 -7.698 -6.995 6.401 1.00 22.43 N ATOM 367 CA LEU A 25 -9.030 -7.230 5.930 1.00 13.02 C ATOM 368 C LEU A 25 -9.577 -5.902 5.468 1.00 65.41 C ATOM 369 O LEU A 25 -9.575 -4.924 6.220 1.00 12.32 O ATOM 370 CB LEU A 25 -9.953 -7.789 7.031 1.00 41.44 C ATOM 371 CG LEU A 25 -9.617 -9.161 7.614 1.00 42.11 C ATOM 372 CD1 LEU A 25 -10.664 -9.552 8.645 1.00 44.21 C ATOM 373 CD2 LEU A 25 -9.549 -10.207 6.518 1.00 13.45 C ATOM 0 H LEU A 25 -7.592 -6.927 7.413 1.00 22.43 H new ATOM 0 HA LEU A 25 -8.996 -7.970 5.130 1.00 13.02 H new ATOM 0 HB2 LEU A 25 -9.969 -7.071 7.851 1.00 41.44 H new ATOM 0 HB3 LEU A 25 -10.965 -7.835 6.628 1.00 41.44 H new ATOM 0 HG LEU A 25 -8.641 -9.106 8.096 1.00 42.11 H new ATOM 0 HD11 LEU A 25 -10.420 -10.531 9.058 1.00 44.21 H new ATOM 0 HD12 LEU A 25 -10.679 -8.814 9.447 1.00 44.21 H new ATOM 0 HD13 LEU A 25 -11.645 -9.592 8.171 1.00 44.21 H new ATOM 0 HD21 LEU A 25 -9.309 -11.176 6.955 1.00 13.45 H new ATOM 0 HD22 LEU A 25 -10.512 -10.266 6.011 1.00 13.45 H new ATOM 0 HD23 LEU A 25 -8.777 -9.931 5.799 1.00 13.45 H new ATOM 385 N PHE A 26 -10.027 -5.856 4.266 1.00 61.03 N ATOM 386 CA PHE A 26 -10.610 -4.671 3.721 1.00 63.31 C ATOM 387 C PHE A 26 -11.999 -5.015 3.241 1.00 12.42 C ATOM 388 O PHE A 26 -12.336 -6.201 3.101 1.00 32.33 O ATOM 389 CB PHE A 26 -9.743 -4.058 2.581 1.00 61.15 C ATOM 390 CG PHE A 26 -8.395 -3.446 3.014 1.00 34.42 C ATOM 391 CD1 PHE A 26 -8.342 -2.168 3.557 1.00 31.15 C ATOM 392 CD2 PHE A 26 -7.190 -4.133 2.853 1.00 50.41 C ATOM 393 CE1 PHE A 26 -7.135 -1.592 3.933 1.00 43.14 C ATOM 394 CE2 PHE A 26 -5.991 -3.557 3.219 1.00 61.42 C ATOM 395 CZ PHE A 26 -5.958 -2.291 3.758 1.00 32.22 C ATOM 0 H PHE A 26 -10.003 -6.646 3.621 1.00 61.03 H new ATOM 0 HA PHE A 26 -10.661 -3.904 4.493 1.00 63.31 H new ATOM 0 HB2 PHE A 26 -9.546 -4.835 1.842 1.00 61.15 H new ATOM 0 HB3 PHE A 26 -10.327 -3.285 2.082 1.00 61.15 H new ATOM 0 HD1 PHE A 26 -9.258 -1.611 3.689 1.00 31.15 H new ATOM 0 HD2 PHE A 26 -7.197 -5.129 2.436 1.00 50.41 H new ATOM 0 HE1 PHE A 26 -7.118 -0.601 4.361 1.00 43.14 H new ATOM 0 HE2 PHE A 26 -5.070 -4.104 3.081 1.00 61.42 H new ATOM 0 HZ PHE A 26 -5.016 -1.847 4.043 1.00 32.22 H new ATOM 405 N SER A 27 -12.814 -4.042 3.023 1.00 11.25 N ATOM 406 CA SER A 27 -14.134 -4.329 2.586 1.00 73.21 C ATOM 407 C SER A 27 -14.123 -4.421 1.083 1.00 63.31 C ATOM 408 O SER A 27 -13.315 -3.762 0.435 1.00 4.24 O ATOM 409 CB SER A 27 -15.132 -3.254 3.074 1.00 25.40 C ATOM 410 OG SER A 27 -14.814 -1.965 2.570 1.00 20.42 O ATOM 0 H SER A 27 -12.593 -3.053 3.138 1.00 11.25 H new ATOM 0 HA SER A 27 -14.464 -5.277 3.011 1.00 73.21 H new ATOM 0 HB2 SER A 27 -16.140 -3.527 2.762 1.00 25.40 H new ATOM 0 HB3 SER A 27 -15.132 -3.227 4.164 1.00 25.40 H new ATOM 0 HG SER A 27 -13.943 -1.683 2.920 1.00 20.42 H new ATOM 416 N PRO A 28 -14.980 -5.252 0.493 1.00 31.14 N ATOM 417 CA PRO A 28 -15.098 -5.349 -0.967 1.00 44.30 C ATOM 418 C PRO A 28 -15.527 -4.002 -1.587 1.00 2.11 C ATOM 419 O PRO A 28 -15.392 -3.784 -2.798 1.00 13.11 O ATOM 420 CB PRO A 28 -16.172 -6.431 -1.162 1.00 3.24 C ATOM 421 CG PRO A 28 -16.900 -6.475 0.136 1.00 41.42 C ATOM 422 CD PRO A 28 -15.871 -6.205 1.174 1.00 31.10 C ATOM 0 HA PRO A 28 -14.156 -5.596 -1.457 1.00 44.30 H new ATOM 0 HB2 PRO A 28 -16.842 -6.181 -1.984 1.00 3.24 H new ATOM 0 HB3 PRO A 28 -15.724 -7.396 -1.398 1.00 3.24 H new ATOM 0 HG2 PRO A 28 -17.694 -5.729 0.167 1.00 41.42 H new ATOM 0 HG3 PRO A 28 -17.369 -7.447 0.291 1.00 41.42 H new ATOM 0 HD2 PRO A 28 -16.307 -5.779 2.078 1.00 31.10 H new ATOM 0 HD3 PRO A 28 -15.345 -7.112 1.471 1.00 31.10 H new ATOM 430 N ASN A 29 -16.009 -3.107 -0.719 1.00 63.23 N ATOM 431 CA ASN A 29 -16.435 -1.766 -1.095 1.00 15.21 C ATOM 432 C ASN A 29 -15.226 -0.825 -1.168 1.00 12.33 C ATOM 433 O ASN A 29 -15.292 0.241 -1.770 1.00 61.34 O ATOM 434 CB ASN A 29 -17.478 -1.242 -0.086 1.00 73.14 C ATOM 435 CG ASN A 29 -18.033 0.134 -0.434 1.00 54.40 C ATOM 436 OD1 ASN A 29 -18.992 0.248 -1.200 1.00 2.05 O ATOM 437 ND2 ASN A 29 -17.482 1.174 0.151 1.00 34.53 N ATOM 0 H ASN A 29 -16.113 -3.302 0.277 1.00 63.23 H new ATOM 0 HA ASN A 29 -16.897 -1.803 -2.082 1.00 15.21 H new ATOM 0 HB2 ASN A 29 -18.303 -1.952 -0.028 1.00 73.14 H new ATOM 0 HB3 ASN A 29 -17.023 -1.200 0.904 1.00 73.14 H new ATOM 0 HD21 ASN A 29 -17.847 2.110 -0.024 1.00 34.53 H new ATOM 0 HD22 ASN A 29 -16.689 1.045 0.780 1.00 34.53 H new ATOM 444 N ASP A 30 -14.120 -1.233 -0.553 1.00 63.11 N ATOM 445 CA ASP A 30 -12.882 -0.455 -0.617 1.00 22.43 C ATOM 446 C ASP A 30 -12.320 -0.465 -2.013 1.00 55.32 C ATOM 447 O ASP A 30 -12.602 -1.369 -2.806 1.00 20.13 O ATOM 448 CB ASP A 30 -11.794 -0.906 0.389 1.00 25.10 C ATOM 449 CG ASP A 30 -12.057 -0.506 1.821 1.00 0.00 C ATOM 450 OD1 ASP A 30 -11.946 0.698 2.133 1.00 4.41 O ATOM 451 OD2 ASP A 30 -12.331 -1.390 2.674 1.00 32.31 O ATOM 0 H ASP A 30 -14.053 -2.092 -0.007 1.00 63.11 H new ATOM 0 HA ASP A 30 -13.163 0.558 -0.331 1.00 22.43 H new ATOM 0 HB2 ASP A 30 -11.700 -1.991 0.340 1.00 25.10 H new ATOM 0 HB3 ASP A 30 -10.836 -0.489 0.079 1.00 25.10 H new ATOM 456 N SER A 31 -11.572 0.536 -2.329 1.00 31.30 N ATOM 457 CA SER A 31 -10.984 0.653 -3.619 1.00 34.53 C ATOM 458 C SER A 31 -9.483 0.327 -3.559 1.00 73.51 C ATOM 459 O SER A 31 -8.760 0.870 -2.739 1.00 11.12 O ATOM 460 CB SER A 31 -11.245 2.039 -4.144 1.00 22.13 C ATOM 461 OG SER A 31 -12.633 2.291 -4.207 1.00 74.21 O ATOM 0 H SER A 31 -11.349 1.303 -1.694 1.00 31.30 H new ATOM 0 HA SER A 31 -11.431 -0.067 -4.305 1.00 34.53 H new ATOM 0 HB2 SER A 31 -10.765 2.775 -3.499 1.00 22.13 H new ATOM 0 HB3 SER A 31 -10.804 2.148 -5.135 1.00 22.13 H new ATOM 0 HG SER A 31 -12.786 3.197 -4.549 1.00 74.21 H new ATOM 467 N ALA A 32 -9.045 -0.555 -4.448 1.00 11.40 N ATOM 468 CA ALA A 32 -7.672 -1.102 -4.487 1.00 13.11 C ATOM 469 C ALA A 32 -6.551 -0.050 -4.430 1.00 34.43 C ATOM 470 O ALA A 32 -5.638 -0.178 -3.626 1.00 25.32 O ATOM 471 CB ALA A 32 -7.516 -1.919 -5.733 1.00 54.31 C ATOM 0 H ALA A 32 -9.642 -0.927 -5.187 1.00 11.40 H new ATOM 0 HA ALA A 32 -7.559 -1.700 -3.583 1.00 13.11 H new ATOM 0 HB1 ALA A 32 -6.507 -2.329 -5.775 1.00 54.31 H new ATOM 0 HB2 ALA A 32 -8.239 -2.734 -5.726 1.00 54.31 H new ATOM 0 HB3 ALA A 32 -7.688 -1.289 -6.605 1.00 54.31 H new ATOM 477 N SER A 33 -6.609 0.975 -5.267 1.00 53.45 N ATOM 478 CA SER A 33 -5.526 1.959 -5.312 1.00 51.04 C ATOM 479 C SER A 33 -5.606 2.904 -4.115 1.00 52.23 C ATOM 480 O SER A 33 -4.592 3.455 -3.669 1.00 70.24 O ATOM 481 CB SER A 33 -5.557 2.727 -6.610 1.00 5.34 C ATOM 482 OG SER A 33 -5.611 1.843 -7.711 1.00 73.13 O ATOM 0 H SER A 33 -7.377 1.150 -5.915 1.00 53.45 H new ATOM 0 HA SER A 33 -4.576 1.427 -5.258 1.00 51.04 H new ATOM 0 HB2 SER A 33 -6.423 3.389 -6.626 1.00 5.34 H new ATOM 0 HB3 SER A 33 -4.671 3.358 -6.687 1.00 5.34 H new ATOM 0 HG SER A 33 -5.913 2.329 -8.507 1.00 73.13 H new ATOM 488 N ASP A 34 -6.816 3.083 -3.600 1.00 53.35 N ATOM 489 CA ASP A 34 -7.029 3.844 -2.366 1.00 33.35 C ATOM 490 C ASP A 34 -6.314 3.108 -1.257 1.00 60.41 C ATOM 491 O ASP A 34 -5.565 3.687 -0.465 1.00 44.33 O ATOM 492 CB ASP A 34 -8.535 3.930 -2.048 1.00 35.12 C ATOM 493 CG ASP A 34 -8.854 4.678 -0.760 1.00 33.23 C ATOM 494 OD1 ASP A 34 -8.880 4.044 0.328 1.00 41.11 O ATOM 495 OD2 ASP A 34 -9.127 5.903 -0.824 1.00 31.03 O ATOM 0 H ASP A 34 -7.670 2.712 -4.016 1.00 53.35 H new ATOM 0 HA ASP A 34 -6.646 4.859 -2.471 1.00 33.35 H new ATOM 0 HB2 ASP A 34 -9.044 4.422 -2.877 1.00 35.12 H new ATOM 0 HB3 ASP A 34 -8.940 2.920 -1.980 1.00 35.12 H new ATOM 500 N ILE A 35 -6.516 1.804 -1.251 1.00 74.22 N ATOM 501 CA ILE A 35 -5.887 0.934 -0.307 1.00 71.24 C ATOM 502 C ILE A 35 -4.374 0.918 -0.514 1.00 1.45 C ATOM 503 O ILE A 35 -3.635 0.934 0.440 1.00 12.35 O ATOM 504 CB ILE A 35 -6.413 -0.496 -0.408 1.00 43.33 C ATOM 505 CG1 ILE A 35 -7.915 -0.550 -0.189 1.00 63.11 C ATOM 506 CG2 ILE A 35 -5.727 -1.345 0.613 1.00 43.41 C ATOM 507 CD1 ILE A 35 -8.471 -1.940 -0.329 1.00 4.51 C ATOM 0 H ILE A 35 -7.129 1.326 -1.912 1.00 74.22 H new ATOM 0 HA ILE A 35 -6.124 1.323 0.683 1.00 71.24 H new ATOM 0 HB ILE A 35 -6.205 -0.870 -1.411 1.00 43.33 H new ATOM 0 HG12 ILE A 35 -8.147 -0.168 0.805 1.00 63.11 H new ATOM 0 HG13 ILE A 35 -8.407 0.108 -0.906 1.00 63.11 H new ATOM 0 HG21 ILE A 35 -6.099 -2.367 0.545 1.00 43.41 H new ATOM 0 HG22 ILE A 35 -4.652 -1.337 0.430 1.00 43.41 H new ATOM 0 HG23 ILE A 35 -5.929 -0.951 1.609 1.00 43.41 H new ATOM 0 HD11 ILE A 35 -9.548 -1.920 -0.162 1.00 4.51 H new ATOM 0 HD12 ILE A 35 -8.266 -2.315 -1.332 1.00 4.51 H new ATOM 0 HD13 ILE A 35 -8.003 -2.595 0.406 1.00 4.51 H new ATOM 519 N ALA A 36 -3.937 0.866 -1.767 1.00 75.35 N ATOM 520 CA ALA A 36 -2.522 0.932 -2.115 1.00 71.51 C ATOM 521 C ALA A 36 -1.844 2.108 -1.433 1.00 53.52 C ATOM 522 O ALA A 36 -0.839 1.938 -0.775 1.00 63.02 O ATOM 523 CB ALA A 36 -2.353 1.059 -3.615 1.00 24.44 C ATOM 0 H ALA A 36 -4.556 0.777 -2.573 1.00 75.35 H new ATOM 0 HA ALA A 36 -2.054 0.009 -1.771 1.00 71.51 H new ATOM 0 HB1 ALA A 36 -1.292 1.107 -3.859 1.00 24.44 H new ATOM 0 HB2 ALA A 36 -2.799 0.194 -4.106 1.00 24.44 H new ATOM 0 HB3 ALA A 36 -2.846 1.967 -3.961 1.00 24.44 H new ATOM 529 N LYS A 37 -2.431 3.283 -1.548 1.00 3.24 N ATOM 530 CA LYS A 37 -1.856 4.485 -0.955 1.00 3.15 C ATOM 531 C LYS A 37 -1.856 4.310 0.592 1.00 2.34 C ATOM 532 O LYS A 37 -0.898 4.674 1.287 1.00 73.04 O ATOM 533 CB LYS A 37 -2.719 5.696 -1.369 1.00 41.40 C ATOM 534 CG LYS A 37 -1.980 7.034 -1.545 1.00 31.00 C ATOM 535 CD LYS A 37 -1.242 7.517 -0.309 1.00 33.30 C ATOM 536 CE LYS A 37 -0.535 8.838 -0.603 1.00 53.31 C ATOM 537 NZ LYS A 37 0.327 9.282 0.503 1.00 64.35 N ATOM 0 H LYS A 37 -3.308 3.436 -2.047 1.00 3.24 H new ATOM 0 HA LYS A 37 -0.834 4.648 -1.297 1.00 3.15 H new ATOM 0 HB2 LYS A 37 -3.218 5.455 -2.308 1.00 41.40 H new ATOM 0 HB3 LYS A 37 -3.499 5.832 -0.620 1.00 41.40 H new ATOM 0 HG2 LYS A 37 -1.266 6.935 -2.363 1.00 31.00 H new ATOM 0 HG3 LYS A 37 -2.701 7.796 -1.842 1.00 31.00 H new ATOM 0 HD2 LYS A 37 -1.943 7.646 0.515 1.00 33.30 H new ATOM 0 HD3 LYS A 37 -0.515 6.768 0.006 1.00 33.30 H new ATOM 0 HE2 LYS A 37 0.067 8.730 -1.505 1.00 53.31 H new ATOM 0 HE3 LYS A 37 -1.281 9.606 -0.807 1.00 53.31 H new ATOM 0 HZ1 LYS A 37 0.781 10.182 0.249 1.00 64.35 H new ATOM 0 HZ2 LYS A 37 -0.248 9.414 1.360 1.00 64.35 H new ATOM 0 HZ3 LYS A 37 1.058 8.564 0.683 1.00 64.35 H new ATOM 551 N HIS A 38 -2.934 3.700 1.087 1.00 0.33 N ATOM 552 CA HIS A 38 -3.141 3.411 2.513 1.00 43.54 C ATOM 553 C HIS A 38 -2.034 2.472 3.047 1.00 72.34 C ATOM 554 O HIS A 38 -1.374 2.772 4.040 1.00 11.31 O ATOM 555 CB HIS A 38 -4.511 2.715 2.678 1.00 14.53 C ATOM 556 CG HIS A 38 -4.952 2.412 4.087 1.00 65.22 C ATOM 557 ND1 HIS A 38 -4.303 1.527 4.936 1.00 23.35 N ATOM 558 CD2 HIS A 38 -6.002 2.876 4.781 1.00 11.04 C ATOM 559 CE1 HIS A 38 -4.948 1.473 6.078 1.00 53.11 C ATOM 560 NE2 HIS A 38 -5.976 2.281 6.008 1.00 11.34 N ATOM 0 H HIS A 38 -3.705 3.385 0.498 1.00 0.33 H new ATOM 0 HA HIS A 38 -3.109 4.344 3.075 1.00 43.54 H new ATOM 0 HB2 HIS A 38 -5.270 3.343 2.212 1.00 14.53 H new ATOM 0 HB3 HIS A 38 -4.486 1.779 2.121 1.00 14.53 H new ATOM 0 HD2 HIS A 38 -6.734 3.590 4.432 1.00 11.04 H new ATOM 0 HE1 HIS A 38 -4.677 0.866 6.929 1.00 53.11 H new ATOM 0 HE2 HIS A 38 -6.652 2.441 6.755 1.00 11.34 H new ATOM 569 N VAL A 39 -1.867 1.332 2.375 1.00 55.10 N ATOM 570 CA VAL A 39 -0.901 0.318 2.759 1.00 72.52 C ATOM 571 C VAL A 39 0.537 0.771 2.524 1.00 61.13 C ATOM 572 O VAL A 39 1.442 0.386 3.275 1.00 20.43 O ATOM 573 CB VAL A 39 -1.188 -1.056 2.105 1.00 62.11 C ATOM 574 CG1 VAL A 39 -2.544 -1.608 2.601 1.00 4.52 C ATOM 575 CG2 VAL A 39 -1.205 -0.927 0.623 1.00 22.45 C ATOM 0 H VAL A 39 -2.406 1.091 1.543 1.00 55.10 H new ATOM 0 HA VAL A 39 -1.018 0.180 3.834 1.00 72.52 H new ATOM 0 HB VAL A 39 -0.397 -1.750 2.390 1.00 62.11 H new ATOM 0 HG11 VAL A 39 -2.736 -2.574 2.135 1.00 4.52 H new ATOM 0 HG12 VAL A 39 -2.514 -1.727 3.684 1.00 4.52 H new ATOM 0 HG13 VAL A 39 -3.340 -0.912 2.334 1.00 4.52 H new ATOM 0 HG21 VAL A 39 -1.408 -1.900 0.175 1.00 22.45 H new ATOM 0 HG22 VAL A 39 -1.983 -0.223 0.328 1.00 22.45 H new ATOM 0 HG23 VAL A 39 -0.237 -0.564 0.278 1.00 22.45 H new ATOM 585 N TYR A 40 0.752 1.593 1.493 1.00 51.43 N ATOM 586 CA TYR A 40 2.069 2.183 1.243 1.00 3.24 C ATOM 587 C TYR A 40 2.513 3.123 2.353 1.00 72.05 C ATOM 588 O TYR A 40 3.632 2.990 2.859 1.00 70.41 O ATOM 589 CB TYR A 40 2.153 2.891 -0.115 1.00 15.14 C ATOM 590 CG TYR A 40 2.605 2.018 -1.267 1.00 74.15 C ATOM 591 CD1 TYR A 40 1.747 1.132 -1.901 1.00 35.21 C ATOM 592 CD2 TYR A 40 3.913 2.097 -1.721 1.00 70.22 C ATOM 593 CE1 TYR A 40 2.181 0.354 -2.954 1.00 12.30 C ATOM 594 CE2 TYR A 40 4.352 1.326 -2.767 1.00 63.43 C ATOM 595 CZ TYR A 40 3.487 0.456 -3.379 1.00 73.43 C ATOM 596 OH TYR A 40 3.929 -0.313 -4.420 1.00 20.40 O ATOM 0 H TYR A 40 0.034 1.864 0.821 1.00 51.43 H new ATOM 0 HA TYR A 40 2.758 1.339 1.224 1.00 3.24 H new ATOM 0 HB2 TYR A 40 1.172 3.303 -0.354 1.00 15.14 H new ATOM 0 HB3 TYR A 40 2.839 3.733 -0.027 1.00 15.14 H new ATOM 0 HD1 TYR A 40 0.724 1.050 -1.565 1.00 35.21 H new ATOM 0 HD2 TYR A 40 4.599 2.779 -1.241 1.00 70.22 H new ATOM 0 HE1 TYR A 40 1.502 -0.330 -3.441 1.00 12.30 H new ATOM 0 HE2 TYR A 40 5.374 1.404 -3.107 1.00 63.43 H new ATOM 0 HH TYR A 40 3.161 -0.658 -4.921 1.00 20.40 H new ATOM 870 N LEU A 58 -2.039 6.368 -9.000 1.00 3.32 N ATOM 871 CA LEU A 58 -2.910 5.373 -8.396 1.00 32.22 C ATOM 872 C LEU A 58 -3.282 4.351 -9.429 1.00 10.32 C ATOM 873 O LEU A 58 -4.103 4.615 -10.302 1.00 32.50 O ATOM 874 CB LEU A 58 -4.197 5.959 -7.743 1.00 20.45 C ATOM 875 CG LEU A 58 -4.057 6.784 -6.442 1.00 23.21 C ATOM 876 CD1 LEU A 58 -3.386 8.114 -6.672 1.00 23.32 C ATOM 877 CD2 LEU A 58 -5.417 6.972 -5.783 1.00 1.34 C ATOM 0 HA LEU A 58 -2.344 4.922 -7.581 1.00 32.22 H new ATOM 0 HB2 LEU A 58 -4.686 6.591 -8.484 1.00 20.45 H new ATOM 0 HB3 LEU A 58 -4.872 5.128 -7.537 1.00 20.45 H new ATOM 0 HG LEU A 58 -3.412 6.218 -5.770 1.00 23.21 H new ATOM 0 HD11 LEU A 58 -3.313 8.653 -5.727 1.00 23.32 H new ATOM 0 HD12 LEU A 58 -2.387 7.952 -7.076 1.00 23.32 H new ATOM 0 HD13 LEU A 58 -3.973 8.700 -7.379 1.00 23.32 H new ATOM 0 HD21 LEU A 58 -5.301 7.554 -4.869 1.00 1.34 H new ATOM 0 HD22 LEU A 58 -6.083 7.498 -6.467 1.00 1.34 H new ATOM 0 HD23 LEU A 58 -5.842 5.998 -5.541 1.00 1.34 H new ATOM 889 N ARG A 59 -2.627 3.221 -9.371 1.00 63.34 N ATOM 890 CA ARG A 59 -2.865 2.134 -10.277 1.00 43.44 C ATOM 891 C ARG A 59 -2.792 0.844 -9.523 1.00 75.34 C ATOM 892 O ARG A 59 -2.120 0.749 -8.488 1.00 74.30 O ATOM 893 CB ARG A 59 -1.857 2.117 -11.430 1.00 4.13 C ATOM 894 CG ARG A 59 -1.904 3.326 -12.344 1.00 15.13 C ATOM 895 CD ARG A 59 -3.247 3.445 -13.021 1.00 51.12 C ATOM 896 NE ARG A 59 -3.414 4.722 -13.718 1.00 35.04 N ATOM 897 CZ ARG A 59 -4.192 4.902 -14.780 1.00 33.42 C ATOM 898 NH1 ARG A 59 -4.771 3.861 -15.360 1.00 73.14 N ATOM 899 NH2 ARG A 59 -4.384 6.114 -15.263 1.00 61.13 N ATOM 0 H ARG A 59 -1.901 3.030 -8.680 1.00 63.34 H new ATOM 0 HA ARG A 59 -3.856 2.266 -10.711 1.00 43.44 H new ATOM 0 HB2 ARG A 59 -0.853 2.035 -11.013 1.00 4.13 H new ATOM 0 HB3 ARG A 59 -2.028 1.222 -12.028 1.00 4.13 H new ATOM 0 HG2 ARG A 59 -1.703 4.229 -11.768 1.00 15.13 H new ATOM 0 HG3 ARG A 59 -1.120 3.247 -13.097 1.00 15.13 H new ATOM 0 HD2 ARG A 59 -3.365 2.628 -13.733 1.00 51.12 H new ATOM 0 HD3 ARG A 59 -4.036 3.335 -12.277 1.00 51.12 H new ATOM 0 HE ARG A 59 -2.898 5.528 -13.364 1.00 35.04 H new ATOM 0 HH11 ARG A 59 -4.619 2.922 -14.991 1.00 73.14 H new ATOM 0 HH12 ARG A 59 -5.368 3.998 -16.175 1.00 73.14 H new ATOM 0 HH21 ARG A 59 -3.935 6.916 -14.821 1.00 61.13 H new ATOM 0 HH22 ARG A 59 -4.982 6.249 -16.078 1.00 61.13 H new ATOM 913 N LEU A 60 -3.449 -0.136 -10.040 1.00 12.34 N ATOM 914 CA LEU A 60 -3.552 -1.394 -9.386 1.00 13.51 C ATOM 915 C LEU A 60 -3.326 -2.507 -10.366 1.00 0.30 C ATOM 916 O LEU A 60 -3.696 -2.402 -11.531 1.00 53.23 O ATOM 917 CB LEU A 60 -4.936 -1.481 -8.717 1.00 73.01 C ATOM 918 CG LEU A 60 -6.145 -1.259 -9.639 1.00 75.44 C ATOM 919 CD1 LEU A 60 -6.541 -2.505 -10.406 1.00 35.01 C ATOM 920 CD2 LEU A 60 -7.301 -0.697 -8.899 1.00 31.45 C ATOM 0 H LEU A 60 -3.934 -0.086 -10.936 1.00 12.34 H new ATOM 0 HA LEU A 60 -2.786 -1.492 -8.617 1.00 13.51 H new ATOM 0 HB2 LEU A 60 -5.033 -2.463 -8.254 1.00 73.01 H new ATOM 0 HB3 LEU A 60 -4.976 -0.745 -7.914 1.00 73.01 H new ATOM 0 HG LEU A 60 -5.828 -0.525 -10.380 1.00 75.44 H new ATOM 0 HD11 LEU A 60 -7.400 -2.285 -11.039 1.00 35.01 H new ATOM 0 HD12 LEU A 60 -5.707 -2.831 -11.027 1.00 35.01 H new ATOM 0 HD13 LEU A 60 -6.801 -3.297 -9.704 1.00 35.01 H new ATOM 0 HD21 LEU A 60 -8.137 -0.554 -9.584 1.00 31.45 H new ATOM 0 HD22 LEU A 60 -7.595 -1.385 -8.107 1.00 31.45 H new ATOM 0 HD23 LEU A 60 -7.022 0.262 -8.462 1.00 31.45 H new ATOM 932 N ILE A 61 -2.707 -3.540 -9.911 1.00 54.23 N ATOM 933 CA ILE A 61 -2.461 -4.700 -10.698 1.00 52.02 C ATOM 934 C ILE A 61 -3.177 -5.865 -10.076 1.00 45.20 C ATOM 935 O ILE A 61 -2.944 -6.212 -8.906 1.00 31.54 O ATOM 936 CB ILE A 61 -0.950 -4.999 -10.775 1.00 63.44 C ATOM 937 CG1 ILE A 61 -0.231 -3.856 -11.468 1.00 1.42 C ATOM 938 CG2 ILE A 61 -0.683 -6.315 -11.499 1.00 43.41 C ATOM 939 CD1 ILE A 61 1.280 -3.954 -11.420 1.00 12.33 C ATOM 0 H ILE A 61 -2.349 -3.604 -8.958 1.00 54.23 H new ATOM 0 HA ILE A 61 -2.826 -4.530 -11.711 1.00 52.02 H new ATOM 0 HB ILE A 61 -0.568 -5.096 -9.759 1.00 63.44 H new ATOM 0 HG12 ILE A 61 -0.549 -3.820 -12.510 1.00 1.42 H new ATOM 0 HG13 ILE A 61 -0.538 -2.916 -11.008 1.00 1.42 H new ATOM 0 HG21 ILE A 61 0.391 -6.498 -11.537 1.00 43.41 H new ATOM 0 HG22 ILE A 61 -1.171 -7.130 -10.964 1.00 43.41 H new ATOM 0 HG23 ILE A 61 -1.078 -6.259 -12.513 1.00 43.41 H new ATOM 0 HD11 ILE A 61 1.717 -3.100 -11.937 1.00 12.33 H new ATOM 0 HD12 ILE A 61 1.612 -3.958 -10.382 1.00 12.33 H new ATOM 0 HD13 ILE A 61 1.600 -4.875 -11.907 1.00 12.33 H new ATOM 951 N TYR A 62 -4.024 -6.478 -10.830 1.00 74.43 N ATOM 952 CA TYR A 62 -4.749 -7.597 -10.344 1.00 33.32 C ATOM 953 C TYR A 62 -4.076 -8.821 -10.886 1.00 11.15 C ATOM 954 O TYR A 62 -4.354 -9.273 -12.000 1.00 73.43 O ATOM 955 CB TYR A 62 -6.240 -7.500 -10.738 1.00 31.33 C ATOM 956 CG TYR A 62 -7.141 -8.622 -10.228 1.00 11.11 C ATOM 957 CD1 TYR A 62 -7.029 -9.101 -8.932 1.00 5.23 C ATOM 958 CD2 TYR A 62 -8.111 -9.186 -11.053 1.00 24.24 C ATOM 959 CE1 TYR A 62 -7.849 -10.111 -8.471 1.00 62.21 C ATOM 960 CE2 TYR A 62 -8.941 -10.196 -10.598 1.00 63.03 C ATOM 961 CZ TYR A 62 -8.805 -10.653 -9.305 1.00 24.03 C ATOM 962 OH TYR A 62 -9.630 -11.664 -8.838 1.00 14.53 O ATOM 0 H TYR A 62 -4.231 -6.218 -11.794 1.00 74.43 H new ATOM 0 HA TYR A 62 -4.743 -7.636 -9.255 1.00 33.32 H new ATOM 0 HB2 TYR A 62 -6.631 -6.551 -10.371 1.00 31.33 H new ATOM 0 HB3 TYR A 62 -6.307 -7.473 -11.826 1.00 31.33 H new ATOM 0 HD1 TYR A 62 -6.287 -8.677 -8.272 1.00 5.23 H new ATOM 0 HD2 TYR A 62 -8.218 -8.829 -12.067 1.00 24.24 H new ATOM 0 HE1 TYR A 62 -7.743 -10.476 -7.460 1.00 62.21 H new ATOM 0 HE2 TYR A 62 -9.689 -10.622 -11.251 1.00 63.03 H new ATOM 0 HH TYR A 62 -10.249 -11.935 -9.548 1.00 14.53 H new ATOM 972 N GLN A 63 -3.088 -9.260 -10.105 1.00 12.53 N ATOM 973 CA GLN A 63 -2.213 -10.335 -10.355 1.00 2.24 C ATOM 974 C GLN A 63 -1.226 -10.035 -11.501 1.00 43.41 C ATOM 975 O GLN A 63 -0.012 -9.948 -11.276 1.00 23.33 O ATOM 976 CB GLN A 63 -2.916 -11.642 -10.570 1.00 41.50 C ATOM 977 CG GLN A 63 -1.911 -12.708 -10.662 1.00 63.02 C ATOM 978 CD GLN A 63 -2.467 -14.028 -11.147 1.00 63.04 C ATOM 979 OE1 GLN A 63 -2.901 -14.867 -10.349 1.00 45.02 O ATOM 980 NE2 GLN A 63 -2.469 -14.225 -12.445 1.00 4.12 N ATOM 0 H GLN A 63 -2.888 -8.812 -9.211 1.00 12.53 H new ATOM 0 HA GLN A 63 -1.632 -10.446 -9.439 1.00 2.24 H new ATOM 0 HB2 GLN A 63 -3.603 -11.841 -9.748 1.00 41.50 H new ATOM 0 HB3 GLN A 63 -3.512 -11.605 -11.482 1.00 41.50 H new ATOM 0 HG2 GLN A 63 -1.116 -12.389 -11.337 1.00 63.02 H new ATOM 0 HG3 GLN A 63 -1.458 -12.853 -9.681 1.00 63.02 H new ATOM 0 HE21 GLN A 63 -2.102 -13.508 -13.070 1.00 4.12 H new ATOM 0 HE22 GLN A 63 -2.838 -15.095 -12.828 1.00 4.12 H new ATOM 989 N GLY A 64 -1.738 -9.869 -12.701 1.00 74.40 N ATOM 990 CA GLY A 64 -0.876 -9.653 -13.832 1.00 72.11 C ATOM 991 C GLY A 64 -1.059 -8.302 -14.487 1.00 35.01 C ATOM 992 O GLY A 64 -0.078 -7.637 -14.815 1.00 32.45 O ATOM 0 H GLY A 64 -2.736 -9.880 -12.913 1.00 74.40 H new ATOM 0 HA2 GLY A 64 0.161 -9.754 -13.512 1.00 72.11 H new ATOM 0 HA3 GLY A 64 -1.059 -10.433 -14.571 1.00 72.11 H new ATOM 996 N ARG A 65 -2.287 -7.880 -14.677 1.00 61.31 N ATOM 997 CA ARG A 65 -2.531 -6.613 -15.369 1.00 10.52 C ATOM 998 C ARG A 65 -3.239 -5.545 -14.534 1.00 35.10 C ATOM 999 O ARG A 65 -3.869 -5.845 -13.509 1.00 1.11 O ATOM 1000 CB ARG A 65 -3.183 -6.805 -16.765 1.00 43.01 C ATOM 1001 CG ARG A 65 -4.400 -7.752 -16.851 1.00 43.41 C ATOM 1002 CD ARG A 65 -5.530 -7.391 -15.901 1.00 63.14 C ATOM 1003 NE ARG A 65 -6.728 -8.204 -16.144 1.00 65.03 N ATOM 1004 CZ ARG A 65 -7.241 -9.127 -15.312 1.00 32.13 C ATOM 1005 NH1 ARG A 65 -6.591 -9.489 -14.205 1.00 4.10 N ATOM 1006 NH2 ARG A 65 -8.391 -9.700 -15.610 1.00 2.21 N ATOM 0 H ARG A 65 -3.125 -8.376 -14.373 1.00 61.31 H new ATOM 0 HA ARG A 65 -1.533 -6.208 -15.536 1.00 10.52 H new ATOM 0 HB2 ARG A 65 -3.490 -5.826 -17.132 1.00 43.01 H new ATOM 0 HB3 ARG A 65 -2.418 -7.175 -17.447 1.00 43.01 H new ATOM 0 HG2 ARG A 65 -4.781 -7.746 -17.872 1.00 43.41 H new ATOM 0 HG3 ARG A 65 -4.072 -8.770 -16.639 1.00 43.41 H new ATOM 0 HD2 ARG A 65 -5.198 -7.531 -14.872 1.00 63.14 H new ATOM 0 HD3 ARG A 65 -5.778 -6.336 -16.015 1.00 63.14 H new ATOM 0 HE ARG A 65 -7.217 -8.055 -17.027 1.00 65.03 H new ATOM 0 HH11 ARG A 65 -5.692 -9.064 -13.980 1.00 4.10 H new ATOM 0 HH12 ARG A 65 -6.993 -10.191 -13.584 1.00 4.10 H new ATOM 0 HH21 ARG A 65 -8.883 -9.442 -16.465 1.00 2.21 H new ATOM 0 HH22 ARG A 65 -8.788 -10.401 -14.985 1.00 2.21 H new ATOM 1020 N PHE A 66 -3.137 -4.306 -15.003 1.00 35.51 N ATOM 1021 CA PHE A 66 -3.730 -3.145 -14.350 1.00 72.31 C ATOM 1022 C PHE A 66 -5.190 -3.038 -14.792 1.00 24.23 C ATOM 1023 O PHE A 66 -5.464 -2.886 -15.986 1.00 10.40 O ATOM 1024 CB PHE A 66 -2.995 -1.843 -14.782 1.00 61.22 C ATOM 1025 CG PHE A 66 -1.497 -1.796 -14.558 1.00 52.30 C ATOM 1026 CD1 PHE A 66 -0.627 -2.465 -15.410 1.00 20.14 C ATOM 1027 CD2 PHE A 66 -0.964 -1.060 -13.519 1.00 50.51 C ATOM 1028 CE1 PHE A 66 0.738 -2.401 -15.222 1.00 12.23 C ATOM 1029 CE2 PHE A 66 0.401 -0.990 -13.331 1.00 2.24 C ATOM 1030 CZ PHE A 66 1.252 -1.660 -14.183 1.00 24.31 C ATOM 0 H PHE A 66 -2.633 -4.077 -15.860 1.00 35.51 H new ATOM 0 HA PHE A 66 -3.649 -3.263 -13.269 1.00 72.31 H new ATOM 0 HB2 PHE A 66 -3.185 -1.682 -15.843 1.00 61.22 H new ATOM 0 HB3 PHE A 66 -3.445 -1.006 -14.248 1.00 61.22 H new ATOM 0 HD1 PHE A 66 -1.025 -3.043 -16.231 1.00 20.14 H new ATOM 0 HD2 PHE A 66 -1.623 -0.533 -12.845 1.00 50.51 H new ATOM 0 HE1 PHE A 66 1.402 -2.931 -15.889 1.00 12.23 H new ATOM 0 HE2 PHE A 66 0.803 -0.409 -12.514 1.00 2.24 H new ATOM 0 HZ PHE A 66 2.320 -1.604 -14.035 1.00 24.31 H new ATOM 1040 N LEU A 67 -6.119 -3.151 -13.860 1.00 32.32 N ATOM 1041 CA LEU A 67 -7.557 -3.068 -14.224 1.00 54.44 C ATOM 1042 C LEU A 67 -8.082 -1.652 -14.413 1.00 71.34 C ATOM 1043 O LEU A 67 -8.742 -1.359 -15.413 1.00 22.21 O ATOM 1044 CB LEU A 67 -8.474 -3.838 -13.259 1.00 30.54 C ATOM 1045 CG LEU A 67 -8.396 -5.360 -13.291 1.00 33.13 C ATOM 1046 CD1 LEU A 67 -9.361 -5.941 -12.279 1.00 10.25 C ATOM 1047 CD2 LEU A 67 -8.739 -5.875 -14.676 1.00 63.43 C ATOM 0 H LEU A 67 -5.932 -3.297 -12.868 1.00 32.32 H new ATOM 0 HA LEU A 67 -7.592 -3.555 -15.199 1.00 54.44 H new ATOM 0 HB2 LEU A 67 -8.249 -3.509 -12.244 1.00 30.54 H new ATOM 0 HB3 LEU A 67 -9.504 -3.548 -13.467 1.00 30.54 H new ATOM 0 HG LEU A 67 -7.380 -5.666 -13.042 1.00 33.13 H new ATOM 0 HD11 LEU A 67 -9.303 -7.029 -12.304 1.00 10.25 H new ATOM 0 HD12 LEU A 67 -9.100 -5.587 -11.282 1.00 10.25 H new ATOM 0 HD13 LEU A 67 -10.376 -5.626 -12.522 1.00 10.25 H new ATOM 0 HD21 LEU A 67 -8.679 -6.963 -14.685 1.00 63.43 H new ATOM 0 HD22 LEU A 67 -9.750 -5.565 -14.939 1.00 63.43 H new ATOM 0 HD23 LEU A 67 -8.034 -5.467 -15.401 1.00 63.43 H new ATOM 1059 N HIS A 68 -7.777 -0.771 -13.487 1.00 1.53 N ATOM 1060 CA HIS A 68 -8.329 0.572 -13.504 1.00 71.00 C ATOM 1061 C HIS A 68 -7.512 1.404 -12.531 1.00 21.21 C ATOM 1062 O HIS A 68 -6.738 0.848 -11.763 1.00 62.40 O ATOM 1063 CB HIS A 68 -9.824 0.489 -13.057 1.00 15.21 C ATOM 1064 CG HIS A 68 -10.673 1.724 -13.274 1.00 13.40 C ATOM 1065 ND1 HIS A 68 -10.737 2.886 -12.603 1.00 61.01 N flip ATOM 1066 CD2 HIS A 68 -11.628 1.812 -14.258 1.00 32.13 C flip ATOM 1067 CE1 HIS A 68 -11.714 3.642 -13.178 1.00 44.40 C flip ATOM 1068 NE2 HIS A 68 -12.238 2.974 -14.177 1.00 42.01 N flip ATOM 0 H HIS A 68 -7.147 -0.958 -12.707 1.00 1.53 H new ATOM 0 HA HIS A 68 -8.288 1.026 -14.494 1.00 71.00 H new ATOM 0 HB2 HIS A 68 -10.291 -0.341 -13.587 1.00 15.21 H new ATOM 0 HB3 HIS A 68 -9.848 0.243 -11.995 1.00 15.21 H new ATOM 0 HD2 HIS A 68 -11.844 1.044 -14.986 1.00 32.13 H new ATOM 0 HE1 HIS A 68 -12.009 4.632 -12.862 1.00 44.40 H new ATOM 0 HE2 HIS A 68 -12.989 3.299 -14.786 1.00 42.01 H new ATOM 1077 N GLY A 69 -7.670 2.712 -12.574 1.00 54.43 N ATOM 1078 CA GLY A 69 -6.953 3.599 -11.670 1.00 21.05 C ATOM 1079 C GLY A 69 -7.309 3.412 -10.197 1.00 65.41 C ATOM 1080 O GLY A 69 -6.545 3.791 -9.340 1.00 74.42 O ATOM 0 H GLY A 69 -8.291 3.189 -13.228 1.00 54.43 H new ATOM 0 HA2 GLY A 69 -5.882 3.440 -11.796 1.00 21.05 H new ATOM 0 HA3 GLY A 69 -7.158 4.631 -11.954 1.00 21.05 H new ATOM 1084 N ASN A 70 -8.457 2.790 -9.912 1.00 72.22 N ATOM 1085 CA ASN A 70 -8.924 2.593 -8.545 1.00 41.22 C ATOM 1086 C ASN A 70 -10.285 1.900 -8.583 1.00 10.44 C ATOM 1087 O ASN A 70 -11.321 2.540 -8.559 1.00 34.43 O ATOM 1088 CB ASN A 70 -9.031 3.931 -7.769 1.00 53.33 C ATOM 1089 CG ASN A 70 -9.266 3.727 -6.293 1.00 31.24 C ATOM 1090 OD1 ASN A 70 -8.823 2.729 -5.718 1.00 24.43 O ATOM 1091 ND2 ASN A 70 -9.935 4.657 -5.664 1.00 14.11 N ATOM 0 H ASN A 70 -9.083 2.412 -10.623 1.00 72.22 H new ATOM 0 HA ASN A 70 -8.197 1.974 -8.020 1.00 41.22 H new ATOM 0 HB2 ASN A 70 -8.115 4.504 -7.912 1.00 53.33 H new ATOM 0 HB3 ASN A 70 -9.846 4.524 -8.185 1.00 53.33 H new ATOM 0 HD21 ASN A 70 -10.107 4.572 -4.662 1.00 14.11 H new ATOM 0 HD22 ASN A 70 -10.285 5.467 -6.175 1.00 14.11 H new ATOM 1098 N VAL A 71 -10.257 0.603 -8.764 1.00 24.42 N ATOM 1099 CA VAL A 71 -11.462 -0.213 -8.833 1.00 35.11 C ATOM 1100 C VAL A 71 -11.648 -0.947 -7.494 1.00 3.35 C ATOM 1101 O VAL A 71 -10.658 -1.194 -6.782 1.00 70.34 O ATOM 1102 CB VAL A 71 -11.407 -1.196 -10.076 1.00 33.12 C ATOM 1103 CG1 VAL A 71 -10.244 -2.150 -10.025 1.00 22.42 C ATOM 1104 CG2 VAL A 71 -12.688 -1.951 -10.270 1.00 22.13 C ATOM 0 H VAL A 71 -9.393 0.071 -8.870 1.00 24.42 H new ATOM 0 HA VAL A 71 -12.335 0.420 -8.991 1.00 35.11 H new ATOM 0 HB VAL A 71 -11.261 -0.547 -10.939 1.00 33.12 H new ATOM 0 HG11 VAL A 71 -10.264 -2.795 -10.904 1.00 22.42 H new ATOM 0 HG12 VAL A 71 -9.311 -1.586 -10.009 1.00 22.42 H new ATOM 0 HG13 VAL A 71 -10.314 -2.761 -9.125 1.00 22.42 H new ATOM 0 HG21 VAL A 71 -12.595 -2.609 -11.134 1.00 22.13 H new ATOM 0 HG22 VAL A 71 -12.898 -2.546 -9.381 1.00 22.13 H new ATOM 0 HG23 VAL A 71 -13.504 -1.247 -10.436 1.00 22.13 H new ATOM 1114 N THR A 72 -12.880 -1.247 -7.128 1.00 62.44 N ATOM 1115 CA THR A 72 -13.155 -1.904 -5.865 1.00 32.10 C ATOM 1116 C THR A 72 -12.864 -3.400 -5.947 1.00 74.00 C ATOM 1117 O THR A 72 -12.852 -3.981 -7.041 1.00 70.32 O ATOM 1118 CB THR A 72 -14.615 -1.667 -5.422 1.00 42.44 C ATOM 1119 OG1 THR A 72 -15.516 -2.105 -6.449 1.00 22.23 O ATOM 1120 CG2 THR A 72 -14.854 -0.192 -5.134 1.00 53.11 C ATOM 0 H THR A 72 -13.708 -1.045 -7.689 1.00 62.44 H new ATOM 0 HA THR A 72 -12.493 -1.466 -5.118 1.00 32.10 H new ATOM 0 HB THR A 72 -14.795 -2.238 -4.511 1.00 42.44 H new ATOM 0 HG1 THR A 72 -16.440 -1.953 -6.160 1.00 22.23 H new ATOM 0 HG21 THR A 72 -15.888 -0.045 -4.823 1.00 53.11 H new ATOM 0 HG22 THR A 72 -14.186 0.136 -4.338 1.00 53.11 H new ATOM 0 HG23 THR A 72 -14.659 0.391 -6.034 1.00 53.11 H new ATOM 1128 N LEU A 73 -12.629 -4.027 -4.798 1.00 44.24 N ATOM 1129 CA LEU A 73 -12.309 -5.438 -4.754 1.00 34.30 C ATOM 1130 C LEU A 73 -13.511 -6.278 -5.170 1.00 52.11 C ATOM 1131 O LEU A 73 -13.357 -7.346 -5.761 1.00 41.03 O ATOM 1132 CB LEU A 73 -11.827 -5.860 -3.365 1.00 41.34 C ATOM 1133 CG LEU A 73 -10.607 -5.124 -2.785 1.00 60.51 C ATOM 1134 CD1 LEU A 73 -9.486 -4.984 -3.782 1.00 15.32 C ATOM 1135 CD2 LEU A 73 -10.963 -3.809 -2.139 1.00 72.40 C ATOM 0 H LEU A 73 -12.656 -3.572 -3.885 1.00 44.24 H new ATOM 0 HA LEU A 73 -11.497 -5.611 -5.461 1.00 34.30 H new ATOM 0 HB2 LEU A 73 -12.657 -5.737 -2.669 1.00 41.34 H new ATOM 0 HB3 LEU A 73 -11.594 -6.924 -3.398 1.00 41.34 H new ATOM 0 HG LEU A 73 -10.233 -5.762 -1.985 1.00 60.51 H new ATOM 0 HD11 LEU A 73 -8.651 -4.457 -3.319 1.00 15.32 H new ATOM 0 HD12 LEU A 73 -9.158 -5.973 -4.102 1.00 15.32 H new ATOM 0 HD13 LEU A 73 -9.836 -4.420 -4.647 1.00 15.32 H new ATOM 0 HD21 LEU A 73 -10.060 -3.339 -1.749 1.00 72.40 H new ATOM 0 HD22 LEU A 73 -11.424 -3.153 -2.878 1.00 72.40 H new ATOM 0 HD23 LEU A 73 -11.663 -3.983 -1.322 1.00 72.40 H new ATOM 1147 N GLY A 74 -14.707 -5.791 -4.860 1.00 1.11 N ATOM 1148 CA GLY A 74 -15.916 -6.461 -5.298 1.00 44.34 C ATOM 1149 C GLY A 74 -15.998 -6.482 -6.814 1.00 10.11 C ATOM 1150 O GLY A 74 -16.324 -7.504 -7.421 1.00 12.04 O ATOM 0 H GLY A 74 -14.861 -4.944 -4.313 1.00 1.11 H new ATOM 0 HA2 GLY A 74 -15.932 -7.481 -4.914 1.00 44.34 H new ATOM 0 HA3 GLY A 74 -16.789 -5.952 -4.889 1.00 44.34 H new ATOM 1154 N ALA A 75 -15.629 -5.358 -7.426 1.00 11.54 N ATOM 1155 CA ALA A 75 -15.623 -5.206 -8.876 1.00 42.22 C ATOM 1156 C ALA A 75 -14.525 -6.068 -9.523 1.00 43.22 C ATOM 1157 O ALA A 75 -14.538 -6.303 -10.738 1.00 12.33 O ATOM 1158 CB ALA A 75 -15.463 -3.742 -9.254 1.00 31.00 C ATOM 0 H ALA A 75 -15.324 -4.523 -6.925 1.00 11.54 H new ATOM 0 HA ALA A 75 -16.581 -5.557 -9.259 1.00 42.22 H new ATOM 0 HB1 ALA A 75 -15.460 -3.645 -10.340 1.00 31.00 H new ATOM 0 HB2 ALA A 75 -16.291 -3.167 -8.840 1.00 31.00 H new ATOM 0 HB3 ALA A 75 -14.523 -3.364 -8.854 1.00 31.00 H new ATOM 1164 N LEU A 76 -13.578 -6.531 -8.706 1.00 31.21 N ATOM 1165 CA LEU A 76 -12.499 -7.417 -9.159 1.00 63.23 C ATOM 1166 C LEU A 76 -12.991 -8.867 -9.201 1.00 74.23 C ATOM 1167 O LEU A 76 -12.244 -9.778 -9.585 1.00 72.11 O ATOM 1168 CB LEU A 76 -11.347 -7.383 -8.182 1.00 25.24 C ATOM 1169 CG LEU A 76 -10.662 -6.078 -7.898 1.00 43.31 C ATOM 1170 CD1 LEU A 76 -9.594 -6.320 -6.896 1.00 70.10 C ATOM 1171 CD2 LEU A 76 -10.057 -5.521 -9.127 1.00 0.25 C ATOM 0 H LEU A 76 -13.535 -6.304 -7.712 1.00 31.21 H new ATOM 0 HA LEU A 76 -12.186 -7.076 -10.146 1.00 63.23 H new ATOM 0 HB2 LEU A 76 -11.711 -7.775 -7.232 1.00 25.24 H new ATOM 0 HB3 LEU A 76 -10.590 -8.078 -8.544 1.00 25.24 H new ATOM 0 HG LEU A 76 -11.394 -5.364 -7.522 1.00 43.31 H new ATOM 0 HD11 LEU A 76 -9.083 -5.383 -6.675 1.00 70.10 H new ATOM 0 HD12 LEU A 76 -10.036 -6.716 -5.982 1.00 70.10 H new ATOM 0 HD13 LEU A 76 -8.878 -7.039 -7.294 1.00 70.10 H new ATOM 0 HD21 LEU A 76 -9.567 -4.575 -8.895 1.00 0.25 H new ATOM 0 HD22 LEU A 76 -9.323 -6.223 -9.522 1.00 0.25 H new ATOM 0 HD23 LEU A 76 -10.835 -5.353 -9.872 1.00 0.25 H new ATOM 1183 N LYS A 77 -14.246 -9.061 -8.803 1.00 50.10 N ATOM 1184 CA LYS A 77 -14.896 -10.371 -8.730 1.00 4.41 C ATOM 1185 C LYS A 77 -14.299 -11.201 -7.605 1.00 34.54 C ATOM 1186 O LYS A 77 -13.730 -12.278 -7.827 1.00 4.24 O ATOM 1187 CB LYS A 77 -14.906 -11.183 -10.073 1.00 64.25 C ATOM 1188 CG LYS A 77 -15.613 -10.525 -11.275 1.00 43.52 C ATOM 1189 CD LYS A 77 -14.870 -9.300 -11.774 1.00 24.51 C ATOM 1190 CE LYS A 77 -15.586 -8.619 -12.915 1.00 55.35 C ATOM 1191 NZ LYS A 77 -14.882 -7.388 -13.326 1.00 21.34 N ATOM 0 H LYS A 77 -14.855 -8.295 -8.515 1.00 50.10 H new ATOM 0 HA LYS A 77 -15.944 -10.158 -8.521 1.00 4.41 H new ATOM 0 HB2 LYS A 77 -13.873 -11.386 -10.355 1.00 64.25 H new ATOM 0 HB3 LYS A 77 -15.380 -12.146 -9.885 1.00 64.25 H new ATOM 0 HG2 LYS A 77 -15.701 -11.250 -12.084 1.00 43.52 H new ATOM 0 HG3 LYS A 77 -16.626 -10.242 -10.989 1.00 43.52 H new ATOM 0 HD2 LYS A 77 -14.746 -8.594 -10.953 1.00 24.51 H new ATOM 0 HD3 LYS A 77 -13.871 -9.591 -12.098 1.00 24.51 H new ATOM 0 HE2 LYS A 77 -15.657 -9.301 -13.762 1.00 55.35 H new ATOM 0 HE3 LYS A 77 -16.605 -8.376 -12.615 1.00 55.35 H new ATOM 0 HZ1 LYS A 77 -15.491 -6.836 -13.963 1.00 21.34 H new ATOM 0 HZ2 LYS A 77 -14.656 -6.820 -12.485 1.00 21.34 H new ATOM 0 HZ3 LYS A 77 -14.002 -7.640 -13.820 1.00 21.34 H new ATOM 1205 N LEU A 78 -14.361 -10.662 -6.419 1.00 21.51 N ATOM 1206 CA LEU A 78 -13.920 -11.359 -5.228 1.00 61.43 C ATOM 1207 C LEU A 78 -15.095 -11.733 -4.376 1.00 22.02 C ATOM 1208 O LEU A 78 -15.909 -10.868 -4.023 1.00 21.31 O ATOM 1209 CB LEU A 78 -12.921 -10.532 -4.384 1.00 71.13 C ATOM 1210 CG LEU A 78 -11.426 -10.613 -4.750 1.00 14.21 C ATOM 1211 CD1 LEU A 78 -11.171 -10.241 -6.181 1.00 32.34 C ATOM 1212 CD2 LEU A 78 -10.618 -9.719 -3.828 1.00 75.44 C ATOM 0 H LEU A 78 -14.719 -9.723 -6.244 1.00 21.51 H new ATOM 0 HA LEU A 78 -13.402 -12.255 -5.569 1.00 61.43 H new ATOM 0 HB2 LEU A 78 -13.222 -9.486 -4.440 1.00 71.13 H new ATOM 0 HB3 LEU A 78 -13.028 -10.840 -3.344 1.00 71.13 H new ATOM 0 HG LEU A 78 -11.114 -11.650 -4.623 1.00 14.21 H new ATOM 0 HD11 LEU A 78 -10.104 -10.313 -6.391 1.00 32.34 H new ATOM 0 HD12 LEU A 78 -11.717 -10.920 -6.836 1.00 32.34 H new ATOM 0 HD13 LEU A 78 -11.507 -9.219 -6.357 1.00 32.34 H new ATOM 0 HD21 LEU A 78 -9.563 -9.782 -4.093 1.00 75.44 H new ATOM 0 HD22 LEU A 78 -10.957 -8.688 -3.931 1.00 75.44 H new ATOM 0 HD23 LEU A 78 -10.753 -10.044 -2.796 1.00 75.44 H new ATOM 1224 N PRO A 79 -15.239 -13.017 -4.057 1.00 31.41 N ATOM 1225 CA PRO A 79 -16.254 -13.455 -3.146 1.00 54.22 C ATOM 1226 C PRO A 79 -15.823 -13.115 -1.729 1.00 12.13 C ATOM 1227 O PRO A 79 -14.618 -13.007 -1.445 1.00 5.01 O ATOM 1228 CB PRO A 79 -16.314 -14.979 -3.333 1.00 22.21 C ATOM 1229 CG PRO A 79 -15.318 -15.319 -4.394 1.00 52.13 C ATOM 1230 CD PRO A 79 -14.421 -14.129 -4.555 1.00 23.24 C ATOM 0 HA PRO A 79 -17.222 -12.986 -3.323 1.00 54.22 H new ATOM 0 HB2 PRO A 79 -16.078 -15.493 -2.401 1.00 22.21 H new ATOM 0 HB3 PRO A 79 -17.315 -15.294 -3.626 1.00 22.21 H new ATOM 0 HG2 PRO A 79 -14.742 -16.200 -4.113 1.00 52.13 H new ATOM 0 HG3 PRO A 79 -15.820 -15.553 -5.333 1.00 52.13 H new ATOM 0 HD2 PRO A 79 -13.501 -14.239 -3.982 1.00 23.24 H new ATOM 0 HD3 PRO A 79 -14.132 -13.981 -5.596 1.00 23.24 H new ATOM 1238 N PHE A 80 -16.764 -12.957 -0.847 1.00 50.12 N ATOM 1239 CA PHE A 80 -16.440 -12.589 0.501 1.00 64.04 C ATOM 1240 C PHE A 80 -15.820 -13.781 1.204 1.00 60.41 C ATOM 1241 O PHE A 80 -16.066 -14.946 0.825 1.00 52.51 O ATOM 1242 CB PHE A 80 -17.675 -12.187 1.278 1.00 52.43 C ATOM 1243 CG PHE A 80 -18.592 -11.205 0.629 1.00 53.11 C ATOM 1244 CD1 PHE A 80 -18.115 -10.123 -0.089 1.00 33.45 C ATOM 1245 CD2 PHE A 80 -19.953 -11.392 0.733 1.00 34.04 C ATOM 1246 CE1 PHE A 80 -18.992 -9.239 -0.690 1.00 73.43 C ATOM 1247 CE2 PHE A 80 -20.835 -10.517 0.137 1.00 33.44 C ATOM 1248 CZ PHE A 80 -20.356 -9.437 -0.578 1.00 5.20 C ATOM 0 H PHE A 80 -17.760 -13.076 -1.034 1.00 50.12 H new ATOM 0 HA PHE A 80 -15.752 -11.745 0.461 1.00 64.04 H new ATOM 0 HB2 PHE A 80 -18.246 -13.089 1.498 1.00 52.43 H new ATOM 0 HB3 PHE A 80 -17.354 -11.771 2.233 1.00 52.43 H new ATOM 0 HD1 PHE A 80 -17.050 -9.968 -0.181 1.00 33.45 H new ATOM 0 HD2 PHE A 80 -20.334 -12.236 1.289 1.00 34.04 H new ATOM 0 HE1 PHE A 80 -18.612 -8.395 -1.246 1.00 73.43 H new ATOM 0 HE2 PHE A 80 -21.899 -10.676 0.229 1.00 33.44 H new ATOM 0 HZ PHE A 80 -21.044 -8.750 -1.048 1.00 5.20 H new ATOM 1258 N GLY A 81 -15.023 -13.511 2.200 1.00 25.14 N ATOM 1259 CA GLY A 81 -14.410 -14.568 2.961 1.00 62.20 C ATOM 1260 C GLY A 81 -13.265 -15.226 2.239 1.00 13.22 C ATOM 1261 O GLY A 81 -12.775 -16.265 2.663 1.00 53.22 O ATOM 0 H GLY A 81 -14.781 -12.568 2.505 1.00 25.14 H new ATOM 0 HA2 GLY A 81 -14.051 -14.165 3.908 1.00 62.20 H new ATOM 0 HA3 GLY A 81 -15.162 -15.320 3.199 1.00 62.20 H new ATOM 1265 N LYS A 82 -12.841 -14.637 1.150 1.00 32.10 N ATOM 1266 CA LYS A 82 -11.766 -15.195 0.367 1.00 11.23 C ATOM 1267 C LYS A 82 -10.540 -14.316 0.487 1.00 34.40 C ATOM 1268 O LYS A 82 -10.651 -13.111 0.755 1.00 43.25 O ATOM 1269 CB LYS A 82 -12.191 -15.325 -1.099 1.00 62.24 C ATOM 1270 CG LYS A 82 -13.468 -16.132 -1.305 1.00 22.41 C ATOM 1271 CD LYS A 82 -13.338 -17.564 -0.815 1.00 12.45 C ATOM 1272 CE LYS A 82 -14.660 -18.311 -0.932 1.00 2.01 C ATOM 1273 NZ LYS A 82 -15.719 -17.704 -0.084 1.00 25.10 N ATOM 0 H LYS A 82 -13.226 -13.766 0.783 1.00 32.10 H new ATOM 0 HA LYS A 82 -11.527 -16.189 0.744 1.00 11.23 H new ATOM 0 HB2 LYS A 82 -12.332 -14.328 -1.515 1.00 62.24 H new ATOM 0 HB3 LYS A 82 -11.383 -15.793 -1.661 1.00 62.24 H new ATOM 0 HG2 LYS A 82 -14.290 -15.645 -0.780 1.00 22.41 H new ATOM 0 HG3 LYS A 82 -13.724 -16.136 -2.364 1.00 22.41 H new ATOM 0 HD2 LYS A 82 -12.573 -18.081 -1.395 1.00 12.45 H new ATOM 0 HD3 LYS A 82 -13.007 -17.567 0.224 1.00 12.45 H new ATOM 0 HE2 LYS A 82 -14.985 -18.312 -1.972 1.00 2.01 H new ATOM 0 HE3 LYS A 82 -14.515 -19.352 -0.642 1.00 2.01 H new ATOM 0 HZ1 LYS A 82 -16.127 -18.432 0.536 1.00 25.10 H new ATOM 0 HZ2 LYS A 82 -15.307 -16.946 0.497 1.00 25.10 H new ATOM 0 HZ3 LYS A 82 -16.465 -17.308 -0.691 1.00 25.10 H new ATOM 1287 N THR A 83 -9.394 -14.905 0.312 1.00 55.13 N ATOM 1288 CA THR A 83 -8.156 -14.187 0.379 1.00 34.44 C ATOM 1289 C THR A 83 -7.611 -13.991 -1.026 1.00 21.41 C ATOM 1290 O THR A 83 -7.554 -14.929 -1.819 1.00 62.41 O ATOM 1291 CB THR A 83 -7.134 -14.937 1.258 1.00 12.33 C ATOM 1292 OG1 THR A 83 -7.704 -15.168 2.561 1.00 54.23 O ATOM 1293 CG2 THR A 83 -5.846 -14.132 1.411 1.00 51.34 C ATOM 0 H THR A 83 -9.291 -15.901 0.118 1.00 55.13 H new ATOM 0 HA THR A 83 -8.334 -13.213 0.835 1.00 34.44 H new ATOM 0 HB THR A 83 -6.896 -15.885 0.775 1.00 12.33 H new ATOM 0 HG1 THR A 83 -7.057 -15.646 3.121 1.00 54.23 H new ATOM 0 HG21 THR A 83 -5.144 -14.684 2.035 1.00 51.34 H new ATOM 0 HG22 THR A 83 -5.404 -13.963 0.429 1.00 51.34 H new ATOM 0 HG23 THR A 83 -6.070 -13.173 1.878 1.00 51.34 H new ATOM 1301 N THR A 84 -7.261 -12.779 -1.346 1.00 22.51 N ATOM 1302 CA THR A 84 -6.737 -12.454 -2.646 1.00 30.42 C ATOM 1303 C THR A 84 -5.563 -11.469 -2.534 1.00 3.32 C ATOM 1304 O THR A 84 -5.552 -10.582 -1.670 1.00 43.42 O ATOM 1305 CB THR A 84 -7.861 -11.904 -3.560 1.00 42.42 C ATOM 1306 OG1 THR A 84 -8.891 -12.907 -3.686 1.00 64.32 O ATOM 1307 CG2 THR A 84 -7.340 -11.549 -4.950 1.00 12.12 C ATOM 0 H THR A 84 -7.330 -11.983 -0.712 1.00 22.51 H new ATOM 0 HA THR A 84 -6.352 -13.365 -3.103 1.00 30.42 H new ATOM 0 HB THR A 84 -8.254 -10.994 -3.106 1.00 42.42 H new ATOM 0 HG1 THR A 84 -9.219 -12.925 -4.609 1.00 64.32 H new ATOM 0 HG21 THR A 84 -8.159 -11.167 -5.559 1.00 12.12 H new ATOM 0 HG22 THR A 84 -6.566 -10.787 -4.865 1.00 12.12 H new ATOM 0 HG23 THR A 84 -6.922 -12.439 -5.420 1.00 12.12 H new ATOM 1315 N VAL A 85 -4.577 -11.663 -3.375 1.00 15.30 N ATOM 1316 CA VAL A 85 -3.387 -10.859 -3.385 1.00 13.02 C ATOM 1317 C VAL A 85 -3.354 -9.965 -4.640 1.00 2.22 C ATOM 1318 O VAL A 85 -3.790 -10.375 -5.720 1.00 14.11 O ATOM 1319 CB VAL A 85 -2.125 -11.765 -3.317 1.00 3.33 C ATOM 1320 CG1 VAL A 85 -2.063 -12.733 -4.496 1.00 51.23 C ATOM 1321 CG2 VAL A 85 -0.866 -10.937 -3.236 1.00 41.35 C ATOM 0 H VAL A 85 -4.582 -12.398 -4.083 1.00 15.30 H new ATOM 0 HA VAL A 85 -3.392 -10.213 -2.507 1.00 13.02 H new ATOM 0 HB VAL A 85 -2.201 -12.359 -2.406 1.00 3.33 H new ATOM 0 HG11 VAL A 85 -1.168 -13.349 -4.414 1.00 51.23 H new ATOM 0 HG12 VAL A 85 -2.946 -13.372 -4.489 1.00 51.23 H new ATOM 0 HG13 VAL A 85 -2.031 -12.169 -5.428 1.00 51.23 H new ATOM 0 HG21 VAL A 85 0.001 -11.596 -3.190 1.00 41.35 H new ATOM 0 HG22 VAL A 85 -0.791 -10.301 -4.118 1.00 41.35 H new ATOM 0 HG23 VAL A 85 -0.897 -10.315 -2.342 1.00 41.35 H new ATOM 1331 N MET A 86 -2.871 -8.750 -4.487 1.00 12.21 N ATOM 1332 CA MET A 86 -2.785 -7.804 -5.581 1.00 40.20 C ATOM 1333 C MET A 86 -1.458 -7.110 -5.568 1.00 23.53 C ATOM 1334 O MET A 86 -0.814 -6.996 -4.528 1.00 13.24 O ATOM 1335 CB MET A 86 -3.898 -6.755 -5.528 1.00 22.05 C ATOM 1336 CG MET A 86 -5.292 -7.303 -5.700 1.00 52.04 C ATOM 1337 SD MET A 86 -6.544 -6.016 -5.649 1.00 22.43 S ATOM 1338 CE MET A 86 -6.123 -5.048 -7.095 1.00 62.35 C ATOM 0 H MET A 86 -2.526 -8.389 -3.598 1.00 12.21 H new ATOM 0 HA MET A 86 -2.900 -8.376 -6.502 1.00 40.20 H new ATOM 0 HB2 MET A 86 -3.843 -6.235 -4.572 1.00 22.05 H new ATOM 0 HB3 MET A 86 -3.716 -6.013 -6.305 1.00 22.05 H new ATOM 0 HG2 MET A 86 -5.357 -7.832 -6.651 1.00 52.04 H new ATOM 0 HG3 MET A 86 -5.492 -8.032 -4.915 1.00 52.04 H new ATOM 0 HE1 MET A 86 -6.984 -4.452 -7.397 1.00 62.35 H new ATOM 0 HE2 MET A 86 -5.288 -4.387 -6.860 1.00 62.35 H new ATOM 0 HE3 MET A 86 -5.840 -5.715 -7.909 1.00 62.35 H new ATOM 1348 N HIS A 87 -1.039 -6.664 -6.716 1.00 51.02 N ATOM 1349 CA HIS A 87 0.205 -5.929 -6.835 1.00 64.23 C ATOM 1350 C HIS A 87 -0.133 -4.478 -7.051 1.00 22.43 C ATOM 1351 O HIS A 87 -0.985 -4.162 -7.864 1.00 51.23 O ATOM 1352 CB HIS A 87 1.071 -6.443 -7.986 1.00 2.04 C ATOM 1353 CG HIS A 87 1.549 -7.865 -7.842 1.00 74.22 C ATOM 1354 ND1 HIS A 87 2.781 -8.187 -7.319 1.00 71.12 N ATOM 1355 CD2 HIS A 87 0.962 -9.057 -8.169 1.00 21.31 C ATOM 1356 CE1 HIS A 87 2.929 -9.495 -7.324 1.00 61.11 C ATOM 1357 NE2 HIS A 87 1.844 -10.041 -7.831 1.00 2.43 N ATOM 0 H HIS A 87 -1.539 -6.793 -7.595 1.00 51.02 H new ATOM 0 HA HIS A 87 0.784 -6.065 -5.922 1.00 64.23 H new ATOM 0 HB2 HIS A 87 0.503 -6.359 -8.913 1.00 2.04 H new ATOM 0 HB3 HIS A 87 1.940 -5.792 -8.085 1.00 2.04 H new ATOM 0 HD2 HIS A 87 -0.014 -9.193 -8.611 1.00 21.31 H new ATOM 0 HE1 HIS A 87 3.797 -10.031 -6.971 1.00 61.11 H new ATOM 0 HE2 HIS A 87 1.688 -11.042 -7.952 1.00 2.43 H new ATOM 1366 N LEU A 88 0.476 -3.600 -6.313 1.00 10.23 N ATOM 1367 CA LEU A 88 0.145 -2.195 -6.416 1.00 34.01 C ATOM 1368 C LEU A 88 1.360 -1.386 -6.754 1.00 73.12 C ATOM 1369 O LEU A 88 2.458 -1.680 -6.292 1.00 12.01 O ATOM 1370 CB LEU A 88 -0.495 -1.668 -5.113 1.00 24.42 C ATOM 1371 CG LEU A 88 -1.858 -2.267 -4.678 1.00 12.23 C ATOM 1372 CD1 LEU A 88 -2.916 -2.090 -5.748 1.00 40.33 C ATOM 1373 CD2 LEU A 88 -1.732 -3.721 -4.278 1.00 71.02 C ATOM 0 H LEU A 88 1.203 -3.822 -5.633 1.00 10.23 H new ATOM 0 HA LEU A 88 -0.584 -2.090 -7.220 1.00 34.01 H new ATOM 0 HB2 LEU A 88 0.215 -1.831 -4.302 1.00 24.42 H new ATOM 0 HB3 LEU A 88 -0.621 -0.590 -5.215 1.00 24.42 H new ATOM 0 HG LEU A 88 -2.179 -1.709 -3.798 1.00 12.23 H new ATOM 0 HD11 LEU A 88 -3.856 -2.523 -5.405 1.00 40.33 H new ATOM 0 HD12 LEU A 88 -3.057 -1.028 -5.948 1.00 40.33 H new ATOM 0 HD13 LEU A 88 -2.597 -2.592 -6.661 1.00 40.33 H new ATOM 0 HD21 LEU A 88 -2.709 -4.102 -3.980 1.00 71.02 H new ATOM 0 HD22 LEU A 88 -1.359 -4.300 -5.123 1.00 71.02 H new ATOM 0 HD23 LEU A 88 -1.038 -3.810 -3.442 1.00 71.02 H new ATOM 1385 N VAL A 89 1.175 -0.371 -7.543 1.00 1.53 N ATOM 1386 CA VAL A 89 2.264 0.477 -7.940 1.00 11.41 C ATOM 1387 C VAL A 89 2.056 1.890 -7.430 1.00 65.22 C ATOM 1388 O VAL A 89 0.941 2.418 -7.455 1.00 73.22 O ATOM 1389 CB VAL A 89 2.497 0.481 -9.484 1.00 11.40 C ATOM 1390 CG1 VAL A 89 2.945 -0.891 -9.967 1.00 54.51 C ATOM 1391 CG2 VAL A 89 1.239 0.887 -10.219 1.00 22.15 C ATOM 0 H VAL A 89 0.269 -0.106 -7.930 1.00 1.53 H new ATOM 0 HA VAL A 89 3.164 0.062 -7.486 1.00 11.41 H new ATOM 0 HB VAL A 89 3.282 1.207 -9.696 1.00 11.40 H new ATOM 0 HG11 VAL A 89 3.101 -0.864 -11.045 1.00 54.51 H new ATOM 0 HG12 VAL A 89 3.877 -1.165 -9.472 1.00 54.51 H new ATOM 0 HG13 VAL A 89 2.178 -1.628 -9.730 1.00 54.51 H new ATOM 0 HG21 VAL A 89 1.427 0.882 -11.293 1.00 22.15 H new ATOM 0 HG22 VAL A 89 0.439 0.183 -9.988 1.00 22.15 H new ATOM 0 HG23 VAL A 89 0.943 1.889 -9.907 1.00 22.15 H new ATOM 1401 N ALA A 90 3.111 2.469 -6.929 1.00 52.24 N ATOM 1402 CA ALA A 90 3.081 3.811 -6.428 1.00 33.44 C ATOM 1403 C ALA A 90 4.271 4.563 -6.965 1.00 40.51 C ATOM 1404 O ALA A 90 5.387 4.024 -7.018 1.00 55.33 O ATOM 1405 CB ALA A 90 3.078 3.818 -4.911 1.00 22.14 C ATOM 0 H ALA A 90 4.023 2.017 -6.857 1.00 52.24 H new ATOM 0 HA ALA A 90 2.166 4.301 -6.761 1.00 33.44 H new ATOM 0 HB1 ALA A 90 3.055 4.847 -4.552 1.00 22.14 H new ATOM 0 HB2 ALA A 90 2.199 3.287 -4.546 1.00 22.14 H new ATOM 0 HB3 ALA A 90 3.978 3.325 -4.543 1.00 22.14 H new