USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 680 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 55 SER OG : rot 180:sc= 0.0095 USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0185) USER MOD Single : A 4 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.924) USER MOD Single : A 7 THR OG1 : rot 70:sc= -2.03! USER MOD Single : A 9 SER OG : rot 39:sc= 0.664 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 21:sc= 0.495 USER MOD Single : A 20 HIS : no HE2:sc= -12.1! C(o=-12!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 74:sc= 0.696 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 152:sc= -5.49! USER MOD Single : A 58 THR OG1 : rot 179:sc= -4.64! USER MOD Single : A 59 SER OG : rot 70:sc= 0.459 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.15 USER MOD Single : A 72 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1) USER MOD Single : A 73 TYR OH : rot 82:sc= 0.837 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= -0.11 (180deg=-1.19) USER MOD Single : A 79 ASN : amide:sc= -8.74! C(o=-8.7!,f=-23!) USER MOD Single : A 93 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 19.034 -0.483 2.787 1.00 0.00 N ATOM 23 CA LYS A 2 17.892 -1.441 2.789 1.00 0.00 C ATOM 24 C LYS A 2 16.631 -0.735 3.300 1.00 0.00 C ATOM 25 O LYS A 2 16.697 0.066 4.210 1.00 0.00 O ATOM 26 CB LYS A 2 18.221 -2.621 3.706 1.00 0.00 C ATOM 27 CG LYS A 2 19.530 -3.273 3.254 1.00 0.00 C ATOM 28 CD LYS A 2 19.806 -4.510 4.111 1.00 0.00 C ATOM 29 CE LYS A 2 20.240 -4.075 5.512 1.00 0.00 C ATOM 30 NZ LYS A 2 19.139 -4.347 6.479 1.00 0.00 N ATOM 0 HA LYS A 2 17.719 -1.803 1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.310 -2.279 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.412 -3.351 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.465 -3.553 2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.352 -2.564 3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.911 -5.130 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.584 -5.118 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.140 -4.613 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.487 -3.013 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.361 -3.902 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.249 -3.956 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.038 -5.374 6.610 1.00 0.00 H new ATOM 44 N PRO A 3 15.515 -1.064 2.698 1.00 0.00 N ATOM 45 CA PRO A 3 14.250 -0.338 2.915 1.00 0.00 C ATOM 46 C PRO A 3 13.608 -0.760 4.240 1.00 0.00 C ATOM 47 O PRO A 3 12.909 -1.751 4.310 1.00 0.00 O ATOM 48 CB PRO A 3 13.381 -0.771 1.732 1.00 0.00 C ATOM 49 CG PRO A 3 13.957 -2.119 1.239 1.00 0.00 C ATOM 50 CD PRO A 3 15.410 -2.189 1.746 1.00 0.00 C ATOM 0 HA PRO A 3 14.383 0.742 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.340 -0.881 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.405 -0.024 0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.372 -2.954 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.923 -2.180 0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.617 -3.143 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.123 -2.087 0.928 1.00 0.00 H new ATOM 58 N LYS A 4 13.829 -0.016 5.290 1.00 0.00 N ATOM 59 CA LYS A 4 13.219 -0.386 6.596 1.00 0.00 C ATOM 60 C LYS A 4 11.755 0.051 6.603 1.00 0.00 C ATOM 61 O LYS A 4 11.418 1.111 7.093 1.00 0.00 O ATOM 62 CB LYS A 4 13.969 0.312 7.732 1.00 0.00 C ATOM 63 CG LYS A 4 14.797 -0.718 8.503 1.00 0.00 C ATOM 64 CD LYS A 4 14.425 -0.667 9.987 1.00 0.00 C ATOM 65 CE LYS A 4 14.494 -2.076 10.579 1.00 0.00 C ATOM 66 NZ LYS A 4 13.802 -2.097 11.899 1.00 0.00 N ATOM 0 H LYS A 4 14.403 0.827 5.299 1.00 0.00 H new ATOM 0 HA LYS A 4 13.282 -1.465 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.619 1.090 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.262 0.802 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.615 -1.717 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.860 -0.513 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.105 -0.003 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.421 -0.259 10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.027 -2.790 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.534 -2.382 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.333 -2.699 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.748 -1.130 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.841 -2.477 11.781 1.00 0.00 H new ATOM 80 N ILE A 5 10.886 -0.760 6.058 1.00 0.00 N ATOM 81 CA ILE A 5 9.437 -0.408 6.022 1.00 0.00 C ATOM 82 C ILE A 5 8.808 -0.735 7.375 1.00 0.00 C ATOM 83 O ILE A 5 8.773 -1.874 7.798 1.00 0.00 O ATOM 84 CB ILE A 5 8.756 -1.210 4.907 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.375 -0.623 4.607 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.602 -2.666 5.341 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.222 -0.421 3.098 1.00 0.00 C ATOM 0 H ILE A 5 11.121 -1.657 5.634 1.00 0.00 H new ATOM 0 HA ILE A 5 9.311 0.656 5.822 1.00 0.00 H new ATOM 0 HB ILE A 5 9.372 -1.159 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.597 -1.291 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.252 0.328 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.118 -3.233 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.585 -3.091 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.993 -2.714 6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.238 -0.003 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.992 0.264 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.327 -1.380 2.590 1.00 0.00 H new ATOM 99 N LEU A 6 8.324 0.262 8.067 1.00 0.00 N ATOM 100 CA LEU A 6 7.714 0.014 9.403 1.00 0.00 C ATOM 101 C LEU A 6 6.260 0.489 9.415 1.00 0.00 C ATOM 102 O LEU A 6 5.644 0.561 10.459 1.00 0.00 O ATOM 103 CB LEU A 6 8.502 0.776 10.469 1.00 0.00 C ATOM 104 CG LEU A 6 9.351 -0.206 11.276 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.629 -0.533 10.502 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.718 0.425 12.621 1.00 0.00 C ATOM 0 H LEU A 6 8.325 1.236 7.764 1.00 0.00 H new ATOM 0 HA LEU A 6 7.742 -1.055 9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.141 1.524 9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.818 1.310 11.129 1.00 0.00 H new ATOM 0 HG LEU A 6 8.785 -1.122 11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.234 -1.233 11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.369 -0.981 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.196 0.382 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.324 -0.274 13.198 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.284 1.341 12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.808 0.658 13.174 1.00 0.00 H new ATOM 118 N THR A 7 5.717 0.816 8.265 1.00 0.00 N ATOM 119 CA THR A 7 4.297 1.290 8.188 1.00 0.00 C ATOM 120 C THR A 7 3.455 0.673 9.310 1.00 0.00 C ATOM 121 O THR A 7 3.403 1.182 10.412 1.00 0.00 O ATOM 122 CB THR A 7 3.715 0.892 6.828 1.00 0.00 C ATOM 123 OG1 THR A 7 2.302 0.785 6.927 1.00 0.00 O ATOM 124 CG2 THR A 7 4.305 -0.450 6.391 1.00 0.00 C ATOM 0 H THR A 7 6.202 0.774 7.368 1.00 0.00 H new ATOM 0 HA THR A 7 4.277 2.374 8.303 1.00 0.00 H new ATOM 0 HB THR A 7 3.967 1.653 6.090 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.914 1.677 7.045 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.890 -0.732 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.388 -0.362 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.057 -1.214 7.128 1.00 0.00 H new ATOM 132 N ALA A 8 2.793 -0.411 9.039 1.00 0.00 N ATOM 133 CA ALA A 8 1.953 -1.060 10.080 1.00 0.00 C ATOM 134 C ALA A 8 1.349 -2.337 9.507 1.00 0.00 C ATOM 135 O ALA A 8 1.204 -3.334 10.184 1.00 0.00 O ATOM 136 CB ALA A 8 0.837 -0.103 10.487 1.00 0.00 C ATOM 0 H ALA A 8 2.797 -0.881 8.134 1.00 0.00 H new ATOM 0 HA ALA A 8 2.560 -1.304 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.216 -0.572 11.250 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.271 0.814 10.885 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.225 0.133 9.617 1.00 0.00 H new ATOM 142 N SER A 9 1.010 -2.299 8.256 1.00 0.00 N ATOM 143 CA SER A 9 0.419 -3.489 7.582 1.00 0.00 C ATOM 144 C SER A 9 -0.539 -4.219 8.522 1.00 0.00 C ATOM 145 O SER A 9 -0.139 -5.016 9.346 1.00 0.00 O ATOM 146 CB SER A 9 1.536 -4.439 7.156 1.00 0.00 C ATOM 147 OG SER A 9 2.421 -4.643 8.249 1.00 0.00 O ATOM 0 H SER A 9 1.118 -1.480 7.657 1.00 0.00 H new ATOM 0 HA SER A 9 -0.137 -3.155 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.116 -5.391 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.078 -4.024 6.307 1.00 0.00 H new ATOM 0 HG SER A 9 1.905 -4.706 9.080 1.00 0.00 H new ATOM 153 N ARG A 10 -1.808 -3.960 8.387 1.00 0.00 N ATOM 154 CA ARG A 10 -2.806 -4.638 9.253 1.00 0.00 C ATOM 155 C ARG A 10 -4.109 -4.795 8.480 1.00 0.00 C ATOM 156 O ARG A 10 -4.372 -5.810 7.863 1.00 0.00 O ATOM 157 CB ARG A 10 -3.054 -3.795 10.506 1.00 0.00 C ATOM 158 CG ARG A 10 -1.916 -4.015 11.506 1.00 0.00 C ATOM 159 CD ARG A 10 -2.444 -3.825 12.930 1.00 0.00 C ATOM 160 NE ARG A 10 -1.303 -3.829 13.888 1.00 0.00 N ATOM 161 CZ ARG A 10 -1.449 -3.314 15.079 1.00 0.00 C ATOM 162 NH1 ARG A 10 -1.498 -2.019 15.230 1.00 0.00 N ATOM 163 NH2 ARG A 10 -1.547 -4.096 16.120 1.00 0.00 N ATOM 0 H ARG A 10 -2.198 -3.304 7.710 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.431 -5.618 9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.119 -2.740 10.240 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.007 -4.069 10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.505 -5.018 11.390 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.105 -3.313 11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.991 -2.885 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.144 -4.622 13.179 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.408 -4.234 13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.422 -1.408 14.417 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.612 -1.618 16.161 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.509 -5.109 16.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.661 -3.694 17.051 1.00 0.00 H new ATOM 177 N LYS A 11 -4.918 -3.787 8.506 1.00 0.00 N ATOM 178 CA LYS A 11 -6.213 -3.847 7.775 1.00 0.00 C ATOM 179 C LYS A 11 -6.659 -2.432 7.404 1.00 0.00 C ATOM 180 O LYS A 11 -5.961 -1.467 7.643 1.00 0.00 O ATOM 181 CB LYS A 11 -7.275 -4.498 8.664 1.00 0.00 C ATOM 182 CG LYS A 11 -6.738 -5.819 9.219 1.00 0.00 C ATOM 183 CD LYS A 11 -7.803 -6.470 10.105 1.00 0.00 C ATOM 184 CE LYS A 11 -9.141 -6.487 9.364 1.00 0.00 C ATOM 185 NZ LYS A 11 -10.116 -7.326 10.117 1.00 0.00 N ATOM 0 H LYS A 11 -4.742 -2.914 9.004 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.087 -4.438 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.539 -3.828 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.185 -4.675 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.472 -6.488 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.829 -5.642 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.505 -7.486 10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.900 -5.919 11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.524 -5.472 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.006 -6.882 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.026 -7.338 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.751 -8.297 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.252 -6.930 11.069 1.00 0.00 H new ATOM 199 N ILE A 12 -7.818 -2.303 6.819 1.00 0.00 N ATOM 200 CA ILE A 12 -8.311 -0.954 6.428 1.00 0.00 C ATOM 201 C ILE A 12 -9.836 -0.977 6.341 1.00 0.00 C ATOM 202 O ILE A 12 -10.401 -1.248 5.300 1.00 0.00 O ATOM 203 CB ILE A 12 -7.729 -0.577 5.063 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.215 -0.396 5.185 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.353 0.729 4.572 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.915 0.750 6.152 1.00 0.00 C ATOM 0 H ILE A 12 -8.445 -3.075 6.595 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.000 -0.221 7.172 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.949 -1.373 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.755 -1.317 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.783 -0.183 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.933 0.990 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.432 0.605 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.139 1.525 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.836 0.879 6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.362 1.670 5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.333 0.518 7.132 1.00 0.00 H new ATOM 218 N LYS A 13 -10.509 -0.691 7.422 1.00 0.00 N ATOM 219 CA LYS A 13 -11.998 -0.688 7.389 1.00 0.00 C ATOM 220 C LYS A 13 -12.466 0.535 6.602 1.00 0.00 C ATOM 221 O LYS A 13 -12.758 1.574 7.161 1.00 0.00 O ATOM 222 CB LYS A 13 -12.547 -0.624 8.815 1.00 0.00 C ATOM 223 CG LYS A 13 -14.071 -0.504 8.764 1.00 0.00 C ATOM 224 CD LYS A 13 -14.652 -0.782 10.151 1.00 0.00 C ATOM 225 CE LYS A 13 -14.259 0.347 11.105 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.333 -0.143 12.510 1.00 0.00 N ATOM 0 H LYS A 13 -10.093 -0.460 8.324 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.361 -1.599 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.259 -1.518 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.121 0.229 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.357 0.494 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.478 -1.210 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.738 -0.862 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.282 -1.736 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.249 0.692 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.924 1.200 10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.066 0.624 13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.304 -0.452 12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.681 -0.944 12.633 1.00 0.00 H new ATOM 240 N ILE A 14 -12.521 0.424 5.305 1.00 0.00 N ATOM 241 CA ILE A 14 -12.947 1.580 4.470 1.00 0.00 C ATOM 242 C ILE A 14 -14.471 1.624 4.363 1.00 0.00 C ATOM 243 O ILE A 14 -15.142 0.609 4.358 1.00 0.00 O ATOM 244 CB ILE A 14 -12.333 1.441 3.078 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.809 1.294 3.229 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.679 2.677 2.240 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.078 1.762 1.965 1.00 0.00 C ATOM 0 H ILE A 14 -12.288 -0.422 4.785 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.606 2.506 4.934 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.731 0.562 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.468 1.876 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.560 0.252 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.241 2.578 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.762 2.765 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.281 3.568 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.003 1.646 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.402 1.162 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.309 2.811 1.779 1.00 0.00 H new ATOM 259 N LYS A 15 -15.019 2.804 4.275 1.00 0.00 N ATOM 260 CA LYS A 15 -16.495 2.945 4.165 1.00 0.00 C ATOM 261 C LYS A 15 -16.905 2.797 2.695 1.00 0.00 C ATOM 262 O LYS A 15 -16.349 3.430 1.819 1.00 0.00 O ATOM 263 CB LYS A 15 -16.896 4.325 4.689 1.00 0.00 C ATOM 264 CG LYS A 15 -16.761 4.358 6.212 1.00 0.00 C ATOM 265 CD LYS A 15 -17.898 5.189 6.809 1.00 0.00 C ATOM 266 CE LYS A 15 -17.324 6.465 7.428 1.00 0.00 C ATOM 267 NZ LYS A 15 -17.117 6.259 8.889 1.00 0.00 N ATOM 0 H LYS A 15 -14.502 3.683 4.275 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.996 2.175 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.264 5.092 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.923 4.550 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.789 3.344 6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.798 4.785 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.624 5.441 6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.427 4.611 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.379 6.721 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.003 7.301 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.727 7.126 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.027 6.034 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.453 5.473 9.038 1.00 0.00 H new ATOM 281 N ALA A 16 -17.861 1.952 2.416 1.00 0.00 N ATOM 282 CA ALA A 16 -18.296 1.743 1.002 1.00 0.00 C ATOM 283 C ALA A 16 -18.467 3.081 0.282 1.00 0.00 C ATOM 284 O ALA A 16 -18.905 4.059 0.855 1.00 0.00 O ATOM 285 CB ALA A 16 -19.625 0.990 0.977 1.00 0.00 C ATOM 0 H ALA A 16 -18.362 1.395 3.108 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.528 1.162 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.939 0.840 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.504 0.022 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.382 1.570 1.505 1.00 0.00 H new ATOM 291 N GLY A 17 -18.129 3.116 -0.981 1.00 0.00 N ATOM 292 CA GLY A 17 -18.269 4.373 -1.770 1.00 0.00 C ATOM 293 C GLY A 17 -17.814 5.546 -0.916 1.00 0.00 C ATOM 294 O GLY A 17 -18.614 6.345 -0.470 1.00 0.00 O ATOM 0 H GLY A 17 -17.759 2.321 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.671 4.315 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.305 4.511 -2.078 1.00 0.00 H new ATOM 298 N PHE A 18 -16.540 5.654 -0.657 1.00 0.00 N ATOM 299 CA PHE A 18 -16.081 6.779 0.200 1.00 0.00 C ATOM 300 C PHE A 18 -14.585 7.043 -0.017 1.00 0.00 C ATOM 301 O PHE A 18 -13.979 6.513 -0.932 1.00 0.00 O ATOM 302 CB PHE A 18 -16.438 6.418 1.656 1.00 0.00 C ATOM 303 CG PHE A 18 -15.245 6.347 2.576 1.00 0.00 C ATOM 304 CD1 PHE A 18 -14.118 5.595 2.231 1.00 0.00 C ATOM 305 CD2 PHE A 18 -15.300 7.004 3.807 1.00 0.00 C ATOM 306 CE1 PHE A 18 -13.045 5.504 3.122 1.00 0.00 C ATOM 307 CE2 PHE A 18 -14.231 6.912 4.695 1.00 0.00 C ATOM 308 CZ PHE A 18 -13.102 6.161 4.357 1.00 0.00 C ATOM 0 H PHE A 18 -15.811 5.025 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.578 7.714 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -17.139 7.158 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.951 5.456 1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -14.077 5.086 1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.172 7.584 4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.171 4.927 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.275 7.422 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.275 6.088 5.047 1.00 0.00 H new ATOM 318 N THR A 19 -13.993 7.883 0.794 1.00 0.00 N ATOM 319 CA THR A 19 -12.548 8.206 0.605 1.00 0.00 C ATOM 320 C THR A 19 -11.698 7.695 1.774 1.00 0.00 C ATOM 321 O THR A 19 -11.982 7.952 2.926 1.00 0.00 O ATOM 322 CB THR A 19 -12.387 9.724 0.488 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.767 10.334 1.714 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.275 10.246 -0.642 1.00 0.00 C ATOM 0 H THR A 19 -14.446 8.357 1.575 1.00 0.00 H new ATOM 0 HA THR A 19 -12.203 7.712 -0.303 1.00 0.00 H new ATOM 0 HB THR A 19 -11.347 9.965 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.718 9.674 2.437 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.160 11.327 -0.725 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.982 9.777 -1.581 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.316 10.007 -0.426 1.00 0.00 H new ATOM 332 N HIS A 20 -10.643 6.983 1.469 1.00 0.00 N ATOM 333 CA HIS A 20 -9.740 6.450 2.538 1.00 0.00 C ATOM 334 C HIS A 20 -8.335 7.037 2.357 1.00 0.00 C ATOM 335 O HIS A 20 -7.997 7.544 1.305 1.00 0.00 O ATOM 336 CB HIS A 20 -9.656 4.932 2.396 1.00 0.00 C ATOM 337 CG HIS A 20 -9.504 4.274 3.735 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.559 4.141 4.621 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.432 3.661 4.331 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.107 3.466 5.690 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.814 3.154 5.569 1.00 0.00 N ATOM 0 H HIS A 20 -10.365 6.745 0.517 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.131 6.721 3.519 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.554 4.559 1.904 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.811 4.669 1.760 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.507 4.492 4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.443 3.584 3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.715 3.207 6.544 1.00 0.00 H new ATOM 349 N ASN A 21 -7.507 6.955 3.366 1.00 0.00 N ATOM 350 CA ASN A 21 -6.120 7.493 3.239 1.00 0.00 C ATOM 351 C ASN A 21 -5.128 6.461 3.785 1.00 0.00 C ATOM 352 O ASN A 21 -4.935 6.336 4.978 1.00 0.00 O ATOM 353 CB ASN A 21 -5.990 8.798 4.028 1.00 0.00 C ATOM 354 CG ASN A 21 -7.338 9.522 4.051 1.00 0.00 C ATOM 355 OD1 ASN A 21 -8.049 9.475 5.035 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.722 10.193 3.000 1.00 0.00 N ATOM 0 H ASN A 21 -7.731 6.540 4.270 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.904 7.692 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.662 8.588 5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.231 9.435 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.619 10.678 3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.125 10.232 2.174 1.00 0.00 H new ATOM 363 N LEU A 22 -4.510 5.713 2.914 1.00 0.00 N ATOM 364 CA LEU A 22 -3.540 4.672 3.354 1.00 0.00 C ATOM 365 C LEU A 22 -2.148 5.287 3.523 1.00 0.00 C ATOM 366 O LEU A 22 -1.654 5.975 2.650 1.00 0.00 O ATOM 367 CB LEU A 22 -3.498 3.596 2.277 1.00 0.00 C ATOM 368 CG LEU A 22 -2.589 2.443 2.693 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.118 1.167 2.048 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.159 2.691 2.204 1.00 0.00 C ATOM 0 H LEU A 22 -4.637 5.780 1.904 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.846 4.249 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.505 3.222 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.141 4.026 1.341 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.579 2.357 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.484 0.327 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.137 0.983 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.112 1.278 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.521 1.861 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.155 2.773 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.781 3.616 2.639 1.00 0.00 H new ATOM 382 N GLU A 23 -1.510 5.039 4.637 1.00 0.00 N ATOM 383 CA GLU A 23 -0.150 5.609 4.862 1.00 0.00 C ATOM 384 C GLU A 23 0.864 4.476 5.068 1.00 0.00 C ATOM 385 O GLU A 23 0.548 3.436 5.610 1.00 0.00 O ATOM 386 CB GLU A 23 -0.175 6.501 6.106 1.00 0.00 C ATOM 387 CG GLU A 23 -0.983 5.816 7.211 1.00 0.00 C ATOM 388 CD GLU A 23 -2.393 6.408 7.256 1.00 0.00 C ATOM 389 OE1 GLU A 23 -2.526 7.594 7.004 1.00 0.00 O ATOM 390 OE2 GLU A 23 -3.317 5.664 7.543 1.00 0.00 O ATOM 0 H GLU A 23 -1.872 4.467 5.400 1.00 0.00 H new ATOM 0 HA GLU A 23 0.142 6.197 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.842 6.692 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.617 7.468 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.034 4.743 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.490 5.951 8.174 1.00 0.00 H new ATOM 397 N VAL A 24 2.082 4.678 4.640 1.00 0.00 N ATOM 398 CA VAL A 24 3.129 3.626 4.807 1.00 0.00 C ATOM 399 C VAL A 24 4.506 4.302 4.832 1.00 0.00 C ATOM 400 O VAL A 24 4.663 5.412 4.364 1.00 0.00 O ATOM 401 CB VAL A 24 3.051 2.638 3.635 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.366 1.860 3.506 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.910 1.650 3.878 1.00 0.00 C ATOM 0 H VAL A 24 2.399 5.531 4.179 1.00 0.00 H new ATOM 0 HA VAL A 24 2.971 3.082 5.739 1.00 0.00 H new ATOM 0 HB VAL A 24 2.873 3.197 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.296 1.163 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.185 2.557 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.553 1.306 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.853 0.948 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.093 1.103 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.969 2.194 3.958 1.00 0.00 H new ATOM 413 N ASP A 25 5.507 3.653 5.375 1.00 0.00 N ATOM 414 CA ASP A 25 6.852 4.294 5.419 1.00 0.00 C ATOM 415 C ASP A 25 7.963 3.245 5.408 1.00 0.00 C ATOM 416 O ASP A 25 7.836 2.179 5.980 1.00 0.00 O ATOM 417 CB ASP A 25 6.968 5.141 6.687 1.00 0.00 C ATOM 418 CG ASP A 25 7.793 6.395 6.393 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.981 6.256 6.155 1.00 0.00 O ATOM 420 OD2 ASP A 25 7.222 7.472 6.411 1.00 0.00 O ATOM 0 H ASP A 25 5.450 2.720 5.784 1.00 0.00 H new ATOM 0 HA ASP A 25 6.963 4.922 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.976 5.421 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.439 4.562 7.481 1.00 0.00 H new ATOM 425 N PHE A 26 9.066 3.551 4.770 1.00 0.00 N ATOM 426 CA PHE A 26 10.195 2.579 4.739 1.00 0.00 C ATOM 427 C PHE A 26 11.491 3.293 4.353 1.00 0.00 C ATOM 428 O PHE A 26 11.531 4.083 3.432 1.00 0.00 O ATOM 429 CB PHE A 26 9.896 1.448 3.749 1.00 0.00 C ATOM 430 CG PHE A 26 9.785 1.984 2.344 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.936 2.140 1.563 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.528 2.305 1.814 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.831 2.618 0.252 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.425 2.785 0.504 1.00 0.00 C ATOM 435 CZ PHE A 26 9.576 2.940 -0.277 1.00 0.00 C ATOM 0 H PHE A 26 9.230 4.427 4.273 1.00 0.00 H new ATOM 0 HA PHE A 26 10.314 2.147 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.686 0.699 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.967 0.950 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.904 1.892 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.640 2.182 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.718 2.738 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.457 3.036 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.496 3.308 -1.289 1.00 0.00 H new ATOM 445 N ILE A 27 12.549 3.026 5.072 1.00 0.00 N ATOM 446 CA ILE A 27 13.850 3.695 4.773 1.00 0.00 C ATOM 447 C ILE A 27 14.629 2.893 3.730 1.00 0.00 C ATOM 448 O ILE A 27 15.465 2.075 4.058 1.00 0.00 O ATOM 449 CB ILE A 27 14.669 3.796 6.061 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.098 4.916 6.926 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.130 4.110 5.728 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.607 4.671 7.165 1.00 0.00 C ATOM 0 H ILE A 27 12.569 2.372 5.855 1.00 0.00 H new ATOM 0 HA ILE A 27 13.659 4.692 4.377 1.00 0.00 H new ATOM 0 HB ILE A 27 14.620 2.848 6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.627 4.959 7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.245 5.878 6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.706 4.180 6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.540 3.316 5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.186 5.058 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.201 5.472 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.084 4.650 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.472 3.716 7.674 1.00 0.00 H new ATOM 464 N GLY A 28 14.372 3.131 2.476 1.00 0.00 N ATOM 465 CA GLY A 28 15.103 2.386 1.411 1.00 0.00 C ATOM 466 C GLY A 28 15.834 3.371 0.498 1.00 0.00 C ATOM 467 O GLY A 28 15.465 4.524 0.391 1.00 0.00 O ATOM 0 H GLY A 28 13.688 3.809 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.816 1.696 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.404 1.786 0.828 1.00 0.00 H new ATOM 471 N ALA A 29 16.869 2.927 -0.164 1.00 0.00 N ATOM 472 CA ALA A 29 17.618 3.841 -1.072 1.00 0.00 C ATOM 473 C ALA A 29 18.885 3.140 -1.578 1.00 0.00 C ATOM 474 O ALA A 29 19.224 2.069 -1.114 1.00 0.00 O ATOM 475 CB ALA A 29 17.993 5.113 -0.308 1.00 0.00 C ATOM 0 H ALA A 29 17.227 1.973 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 29 16.994 4.104 -1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.541 5.785 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.087 5.607 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.618 4.853 0.546 1.00 0.00 H new ATOM 481 N PRO A 30 19.540 3.761 -2.528 1.00 0.00 N ATOM 482 CA PRO A 30 19.121 5.060 -3.085 1.00 0.00 C ATOM 483 C PRO A 30 17.921 4.882 -4.012 1.00 0.00 C ATOM 484 O PRO A 30 17.795 3.890 -4.702 1.00 0.00 O ATOM 485 CB PRO A 30 20.345 5.533 -3.869 1.00 0.00 C ATOM 486 CG PRO A 30 21.160 4.266 -4.192 1.00 0.00 C ATOM 487 CD PRO A 30 20.762 3.209 -3.146 1.00 0.00 C ATOM 0 HA PRO A 30 18.812 5.771 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.048 6.049 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.935 6.237 -3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.945 3.913 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.230 4.471 -4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.573 2.241 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.551 3.061 -2.408 1.00 0.00 H new ATOM 495 N ASP A 31 17.052 5.851 -4.025 1.00 0.00 N ATOM 496 CA ASP A 31 15.838 5.795 -4.892 1.00 0.00 C ATOM 497 C ASP A 31 15.344 4.348 -5.032 1.00 0.00 C ATOM 498 O ASP A 31 15.607 3.700 -6.025 1.00 0.00 O ATOM 499 CB ASP A 31 16.174 6.356 -6.275 1.00 0.00 C ATOM 500 CG ASP A 31 15.809 7.841 -6.327 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.707 8.174 -5.924 1.00 0.00 O ATOM 502 OD2 ASP A 31 16.639 8.619 -6.768 1.00 0.00 O ATOM 0 H ASP A 31 17.131 6.697 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 31 15.050 6.392 -4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.236 6.224 -6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.627 5.809 -7.043 1.00 0.00 H new ATOM 507 N PRO A 32 14.642 3.890 -4.028 1.00 0.00 N ATOM 508 CA PRO A 32 14.090 2.523 -3.999 1.00 0.00 C ATOM 509 C PRO A 32 12.815 2.446 -4.838 1.00 0.00 C ATOM 510 O PRO A 32 12.537 3.301 -5.655 1.00 0.00 O ATOM 511 CB PRO A 32 13.762 2.302 -2.521 1.00 0.00 C ATOM 512 CG PRO A 32 13.590 3.708 -1.902 1.00 0.00 C ATOM 513 CD PRO A 32 14.333 4.690 -2.827 1.00 0.00 C ATOM 0 HA PRO A 32 14.776 1.778 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.852 1.713 -2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.561 1.753 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.535 3.971 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.001 3.740 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.714 5.553 -3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.240 5.071 -2.358 1.00 0.00 H new ATOM 521 N THR A 33 12.035 1.426 -4.627 1.00 0.00 N ATOM 522 CA THR A 33 10.766 1.278 -5.390 1.00 0.00 C ATOM 523 C THR A 33 9.701 0.683 -4.467 1.00 0.00 C ATOM 524 O THR A 33 10.009 0.085 -3.456 1.00 0.00 O ATOM 525 CB THR A 33 10.991 0.346 -6.583 1.00 0.00 C ATOM 526 OG1 THR A 33 12.022 0.873 -7.406 1.00 0.00 O ATOM 527 CG2 THR A 33 9.698 0.231 -7.392 1.00 0.00 C ATOM 0 H THR A 33 12.223 0.683 -3.954 1.00 0.00 H new ATOM 0 HA THR A 33 10.437 2.251 -5.755 1.00 0.00 H new ATOM 0 HB THR A 33 11.282 -0.641 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.168 0.276 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.858 -0.433 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.908 -0.174 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.405 1.217 -7.752 1.00 0.00 H new ATOM 535 N ALA A 34 8.452 0.839 -4.802 1.00 0.00 N ATOM 536 CA ALA A 34 7.379 0.276 -3.935 1.00 0.00 C ATOM 537 C ALA A 34 6.103 0.102 -4.756 1.00 0.00 C ATOM 538 O ALA A 34 5.388 1.047 -5.022 1.00 0.00 O ATOM 539 CB ALA A 34 7.113 1.221 -2.763 1.00 0.00 C ATOM 0 H ALA A 34 8.127 1.330 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 34 7.697 -0.692 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.328 0.805 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.025 1.340 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.797 2.192 -3.143 1.00 0.00 H new ATOM 545 N THR A 35 5.815 -1.103 -5.163 1.00 0.00 N ATOM 546 CA THR A 35 4.589 -1.341 -5.970 1.00 0.00 C ATOM 547 C THR A 35 3.410 -1.624 -5.040 1.00 0.00 C ATOM 548 O THR A 35 3.454 -2.517 -4.215 1.00 0.00 O ATOM 549 CB THR A 35 4.812 -2.544 -6.892 1.00 0.00 C ATOM 550 OG1 THR A 35 3.769 -2.598 -7.856 1.00 0.00 O ATOM 551 CG2 THR A 35 4.813 -3.831 -6.066 1.00 0.00 C ATOM 0 H THR A 35 6.377 -1.932 -4.971 1.00 0.00 H new ATOM 0 HA THR A 35 4.372 -0.457 -6.570 1.00 0.00 H new ATOM 0 HB THR A 35 5.772 -2.441 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.910 -3.366 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.972 -4.685 -6.724 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.613 -3.788 -5.327 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.855 -3.938 -5.558 1.00 0.00 H new ATOM 559 N TRP A 36 2.350 -0.873 -5.172 1.00 0.00 N ATOM 560 CA TRP A 36 1.163 -1.104 -4.307 1.00 0.00 C ATOM 561 C TRP A 36 0.305 -2.208 -4.937 1.00 0.00 C ATOM 562 O TRP A 36 -0.329 -2.033 -5.972 1.00 0.00 O ATOM 563 CB TRP A 36 0.366 0.194 -4.174 1.00 0.00 C ATOM 564 CG TRP A 36 0.809 0.913 -2.934 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.598 2.016 -2.906 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.519 0.592 -1.540 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.790 2.396 -1.591 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.148 1.551 -0.713 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.227 -0.423 -0.920 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.042 1.504 0.677 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.334 -0.475 0.478 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.296 0.486 1.274 1.00 0.00 C ATOM 0 H TRP A 36 2.257 -0.110 -5.842 1.00 0.00 H new ATOM 0 HA TRP A 36 1.474 -1.417 -3.310 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.522 0.823 -5.050 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.701 -0.023 -4.123 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.009 2.516 -3.770 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.341 3.205 -1.305 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.722 -1.169 -1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.533 2.249 1.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.907 -1.263 0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.206 0.441 2.349 1.00 0.00 H new ATOM 583 N THR A 37 0.293 -3.363 -4.338 1.00 0.00 N ATOM 584 CA THR A 37 -0.511 -4.466 -4.921 1.00 0.00 C ATOM 585 C THR A 37 -1.756 -4.718 -4.079 1.00 0.00 C ATOM 586 O THR A 37 -1.930 -4.172 -3.006 1.00 0.00 O ATOM 587 CB THR A 37 0.312 -5.754 -5.020 1.00 0.00 C ATOM 588 OG1 THR A 37 1.506 -5.621 -4.263 1.00 0.00 O ATOM 589 CG2 THR A 37 0.666 -6.024 -6.483 1.00 0.00 C ATOM 0 H THR A 37 0.798 -3.589 -3.481 1.00 0.00 H new ATOM 0 HA THR A 37 -0.810 -4.166 -5.925 1.00 0.00 H new ATOM 0 HB THR A 37 -0.274 -6.585 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.295 -5.670 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.252 -6.941 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.249 -6.133 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.248 -5.191 -6.876 1.00 0.00 H new ATOM 597 N VAL A 38 -2.641 -5.522 -4.587 1.00 0.00 N ATOM 598 CA VAL A 38 -3.907 -5.791 -3.868 1.00 0.00 C ATOM 599 C VAL A 38 -4.135 -7.302 -3.720 1.00 0.00 C ATOM 600 O VAL A 38 -5.177 -7.822 -4.064 1.00 0.00 O ATOM 601 CB VAL A 38 -5.017 -5.152 -4.699 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.368 -6.058 -5.877 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.248 -4.907 -3.837 1.00 0.00 C ATOM 0 H VAL A 38 -2.539 -6.008 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.885 -5.376 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.666 -4.193 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.161 -5.597 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.486 -6.200 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.708 -7.024 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.031 -4.451 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.605 -5.855 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.990 -4.239 -3.015 1.00 0.00 H new ATOM 650 N ALA A 43 -2.258 -9.726 -7.567 1.00 0.00 N ATOM 651 CA ALA A 43 -3.296 -8.675 -7.635 1.00 0.00 C ATOM 652 C ALA A 43 -2.623 -7.312 -7.455 1.00 0.00 C ATOM 653 O ALA A 43 -1.577 -7.211 -6.845 1.00 0.00 O ATOM 654 CB ALA A 43 -4.302 -8.907 -6.508 1.00 0.00 C ATOM 0 HA ALA A 43 -3.811 -8.705 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.074 -8.139 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.761 -9.889 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.789 -8.859 -5.547 1.00 0.00 H new ATOM 660 N ALA A 44 -3.196 -6.262 -7.977 1.00 0.00 N ATOM 661 CA ALA A 44 -2.553 -4.925 -7.819 1.00 0.00 C ATOM 662 C ALA A 44 -3.622 -3.841 -7.677 1.00 0.00 C ATOM 663 O ALA A 44 -4.762 -4.036 -8.049 1.00 0.00 O ATOM 664 CB ALA A 44 -1.690 -4.629 -9.047 1.00 0.00 C ATOM 0 H ALA A 44 -4.071 -6.270 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.932 -4.932 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.219 -3.653 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.920 -5.394 -9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.315 -4.629 -9.940 1.00 0.00 H new ATOM 670 N LEU A 45 -3.268 -2.685 -7.165 1.00 0.00 N ATOM 671 CA LEU A 45 -4.301 -1.605 -7.048 1.00 0.00 C ATOM 672 C LEU A 45 -3.688 -0.262 -7.445 1.00 0.00 C ATOM 673 O LEU A 45 -2.511 -0.026 -7.261 1.00 0.00 O ATOM 674 CB LEU A 45 -4.898 -1.546 -5.626 1.00 0.00 C ATOM 675 CG LEU A 45 -3.895 -1.016 -4.599 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.559 -1.695 -4.791 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.724 0.495 -4.753 1.00 0.00 C ATOM 0 H LEU A 45 -2.334 -2.446 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.121 -1.834 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.782 -0.908 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.226 -2.542 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.274 -1.230 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.849 -1.314 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.675 -2.771 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.188 -1.491 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.008 0.857 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.358 0.720 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.684 0.987 -4.598 1.00 0.00 H new ATOM 728 N LEU A 49 -7.916 3.984 -7.487 1.00 0.00 N ATOM 729 CA LEU A 49 -7.668 4.865 -6.321 1.00 0.00 C ATOM 730 C LEU A 49 -6.545 5.843 -6.654 1.00 0.00 C ATOM 731 O LEU A 49 -6.186 6.037 -7.799 1.00 0.00 O ATOM 732 CB LEU A 49 -7.253 4.050 -5.091 1.00 0.00 C ATOM 733 CG LEU A 49 -7.094 2.571 -5.431 1.00 0.00 C ATOM 734 CD1 LEU A 49 -6.090 1.942 -4.469 1.00 0.00 C ATOM 735 CD2 LEU A 49 -8.445 1.883 -5.265 1.00 0.00 C ATOM 0 HA LEU A 49 -8.592 5.399 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.314 4.437 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.001 4.166 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.740 2.458 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.972 0.885 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.128 2.446 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.452 2.046 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.346 0.824 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.784 1.991 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.171 2.341 -5.936 1.00 0.00 H new ATOM 747 N LEU A 50 -5.991 6.460 -5.650 1.00 0.00 N ATOM 748 CA LEU A 50 -4.882 7.438 -5.887 1.00 0.00 C ATOM 749 C LEU A 50 -3.617 6.936 -5.187 1.00 0.00 C ATOM 750 O LEU A 50 -3.269 7.384 -4.115 1.00 0.00 O ATOM 751 CB LEU A 50 -5.275 8.800 -5.309 1.00 0.00 C ATOM 752 CG LEU A 50 -5.770 9.720 -6.423 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.786 8.974 -7.289 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.434 10.950 -5.796 1.00 0.00 C ATOM 0 H LEU A 50 -6.255 6.333 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.698 7.536 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.055 8.674 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.419 9.251 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.930 10.032 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.139 9.631 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.314 8.095 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.630 8.663 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.791 11.613 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.275 10.634 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.709 11.479 -5.178 1.00 0.00 H new ATOM 766 N VAL A 51 -2.935 5.994 -5.769 1.00 0.00 N ATOM 767 CA VAL A 51 -1.719 5.449 -5.105 1.00 0.00 C ATOM 768 C VAL A 51 -0.512 6.372 -5.288 1.00 0.00 C ATOM 769 O VAL A 51 -0.135 6.720 -6.389 1.00 0.00 O ATOM 770 CB VAL A 51 -1.407 4.077 -5.689 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.272 3.428 -4.895 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.658 3.215 -5.578 1.00 0.00 C ATOM 0 H VAL A 51 -3.164 5.578 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.918 5.372 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.103 4.173 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.050 2.447 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.617 4.056 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.573 3.318 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.457 2.227 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.942 3.119 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.472 3.681 -6.133 1.00 0.00 H new ATOM 782 N ASP A 52 0.110 6.742 -4.199 1.00 0.00 N ATOM 783 CA ASP A 52 1.315 7.612 -4.266 1.00 0.00 C ATOM 784 C ASP A 52 2.425 6.928 -3.466 1.00 0.00 C ATOM 785 O ASP A 52 2.161 6.121 -2.596 1.00 0.00 O ATOM 786 CB ASP A 52 1.008 8.987 -3.660 1.00 0.00 C ATOM 787 CG ASP A 52 -0.080 8.853 -2.592 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.154 8.378 -2.924 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.178 9.230 -1.461 1.00 0.00 O ATOM 0 H ASP A 52 -0.171 6.474 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 52 1.621 7.758 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.911 9.411 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.681 9.674 -4.441 1.00 0.00 H new ATOM 794 N ALA A 53 3.663 7.208 -3.747 1.00 0.00 N ATOM 795 CA ALA A 53 4.734 6.520 -2.979 1.00 0.00 C ATOM 796 C ALA A 53 6.048 7.303 -3.053 1.00 0.00 C ATOM 797 O ALA A 53 6.346 7.949 -4.037 1.00 0.00 O ATOM 798 CB ALA A 53 4.921 5.118 -3.559 1.00 0.00 C ATOM 0 H ALA A 53 3.977 7.868 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 53 4.445 6.457 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.704 4.598 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.987 4.562 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.205 5.193 -4.609 1.00 0.00 H new ATOM 804 N LYS A 54 6.834 7.248 -2.006 1.00 0.00 N ATOM 805 CA LYS A 54 8.131 7.989 -2.004 1.00 0.00 C ATOM 806 C LYS A 54 9.295 7.035 -1.699 1.00 0.00 C ATOM 807 O LYS A 54 9.125 5.937 -1.208 1.00 0.00 O ATOM 808 CB LYS A 54 8.076 9.136 -0.976 1.00 0.00 C ATOM 809 CG LYS A 54 9.356 9.200 -0.129 1.00 0.00 C ATOM 810 CD LYS A 54 9.298 10.420 0.792 1.00 0.00 C ATOM 811 CE LYS A 54 10.588 11.230 0.652 1.00 0.00 C ATOM 812 NZ LYS A 54 10.275 12.683 0.766 1.00 0.00 N ATOM 0 H LYS A 54 6.633 6.723 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 54 8.298 8.416 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.935 10.084 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.214 8.999 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.460 8.290 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.231 9.261 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.438 11.040 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.167 10.102 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.299 10.938 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.058 11.022 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.151 13.235 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.611 12.955 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.844 12.874 1.693 1.00 0.00 H new ATOM 826 N SER A 55 10.479 7.473 -2.002 1.00 0.00 N ATOM 827 CA SER A 55 11.694 6.635 -1.774 1.00 0.00 C ATOM 828 C SER A 55 11.757 6.104 -0.336 1.00 0.00 C ATOM 829 O SER A 55 11.933 4.924 -0.113 1.00 0.00 O ATOM 830 CB SER A 55 12.940 7.477 -2.052 1.00 0.00 C ATOM 831 OG SER A 55 12.751 8.783 -1.523 1.00 0.00 O ATOM 0 H SER A 55 10.665 8.391 -2.405 1.00 0.00 H new ATOM 0 HA SER A 55 11.647 5.779 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.816 7.012 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.126 7.530 -3.125 1.00 0.00 H new ATOM 0 HG SER A 55 13.548 9.325 -1.698 1.00 0.00 H new ATOM 837 N SER A 56 11.652 6.957 0.643 1.00 0.00 N ATOM 838 CA SER A 56 11.751 6.474 2.053 1.00 0.00 C ATOM 839 C SER A 56 10.363 6.235 2.649 1.00 0.00 C ATOM 840 O SER A 56 10.203 6.174 3.853 1.00 0.00 O ATOM 841 CB SER A 56 12.483 7.522 2.892 1.00 0.00 C ATOM 842 OG SER A 56 12.730 8.674 2.096 1.00 0.00 O ATOM 0 H SER A 56 11.503 7.960 0.533 1.00 0.00 H new ATOM 0 HA SER A 56 12.298 5.531 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.885 7.789 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.423 7.115 3.264 1.00 0.00 H new ATOM 0 HG SER A 56 13.198 9.348 2.632 1.00 0.00 H new ATOM 848 N THR A 57 9.354 6.099 1.839 1.00 0.00 N ATOM 849 CA THR A 57 7.999 5.873 2.418 1.00 0.00 C ATOM 850 C THR A 57 6.993 5.681 1.295 1.00 0.00 C ATOM 851 O THR A 57 7.356 5.471 0.161 1.00 0.00 O ATOM 852 CB THR A 57 7.613 7.105 3.251 1.00 0.00 C ATOM 853 OG1 THR A 57 6.495 6.812 4.076 1.00 0.00 O ATOM 854 CG2 THR A 57 7.260 8.255 2.314 1.00 0.00 C ATOM 0 H THR A 57 9.403 6.133 0.821 1.00 0.00 H new ATOM 0 HA THR A 57 8.004 4.983 3.047 1.00 0.00 H new ATOM 0 HB THR A 57 8.456 7.384 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.523 7.376 4.877 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.985 9.131 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.121 8.492 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.421 7.965 1.682 1.00 0.00 H new ATOM 862 N THR A 58 5.731 5.766 1.598 1.00 0.00 N ATOM 863 CA THR A 58 4.710 5.614 0.537 1.00 0.00 C ATOM 864 C THR A 58 3.320 5.692 1.156 1.00 0.00 C ATOM 865 O THR A 58 3.124 5.383 2.313 1.00 0.00 O ATOM 866 CB THR A 58 4.874 4.265 -0.170 1.00 0.00 C ATOM 867 OG1 THR A 58 4.091 4.258 -1.350 1.00 0.00 O ATOM 868 CG2 THR A 58 4.401 3.143 0.747 1.00 0.00 C ATOM 0 H THR A 58 5.365 5.934 2.535 1.00 0.00 H new ATOM 0 HA THR A 58 4.837 6.415 -0.192 1.00 0.00 H new ATOM 0 HB THR A 58 5.924 4.114 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.207 3.403 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.519 2.185 0.241 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.994 3.146 1.661 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.351 3.295 0.996 1.00 0.00 H new ATOM 876 N SER A 59 2.352 6.090 0.388 1.00 0.00 N ATOM 877 CA SER A 59 0.969 6.176 0.916 1.00 0.00 C ATOM 878 C SER A 59 0.020 6.170 -0.262 1.00 0.00 C ATOM 879 O SER A 59 0.336 6.657 -1.328 1.00 0.00 O ATOM 880 CB SER A 59 0.793 7.459 1.729 1.00 0.00 C ATOM 881 OG SER A 59 1.540 8.505 1.121 1.00 0.00 O ATOM 0 H SER A 59 2.460 6.361 -0.589 1.00 0.00 H new ATOM 0 HA SER A 59 0.762 5.331 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.262 7.730 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.130 7.303 2.754 1.00 0.00 H new ATOM 0 HG SER A 59 1.117 8.760 0.274 1.00 0.00 H new ATOM 887 N ILE A 60 -1.128 5.599 -0.111 1.00 0.00 N ATOM 888 CA ILE A 60 -2.032 5.555 -1.271 1.00 0.00 C ATOM 889 C ILE A 60 -3.421 6.068 -0.890 1.00 0.00 C ATOM 890 O ILE A 60 -3.679 6.404 0.250 1.00 0.00 O ATOM 891 CB ILE A 60 -2.004 4.130 -1.839 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.765 3.153 -0.947 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.538 3.677 -1.890 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.674 1.749 -1.556 1.00 0.00 C ATOM 0 H ILE A 60 -1.474 5.169 0.747 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.704 6.225 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.472 4.137 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.345 3.155 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.808 3.458 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.484 2.665 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.029 4.352 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.117 3.693 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.215 1.043 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.114 1.756 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.628 1.448 -1.623 1.00 0.00 H new ATOM 906 N PHE A 61 -4.276 6.244 -1.857 1.00 0.00 N ATOM 907 CA PHE A 61 -5.598 6.868 -1.571 1.00 0.00 C ATOM 908 C PHE A 61 -6.781 6.020 -2.016 1.00 0.00 C ATOM 909 O PHE A 61 -6.693 5.247 -2.939 1.00 0.00 O ATOM 910 CB PHE A 61 -5.634 8.163 -2.363 1.00 0.00 C ATOM 911 CG PHE A 61 -5.336 9.312 -1.464 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.189 9.289 -0.674 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.198 10.404 -1.430 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.897 10.363 0.157 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.917 11.482 -0.601 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.762 11.469 0.199 1.00 0.00 C ATOM 0 H PHE A 61 -4.118 5.984 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.691 7.000 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.906 8.125 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.614 8.293 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.527 8.436 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.084 10.413 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.007 10.348 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.586 12.330 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.540 12.306 0.844 1.00 0.00 H new ATOM 926 N PHE A 62 -7.911 6.219 -1.382 1.00 0.00 N ATOM 927 CA PHE A 62 -9.143 5.481 -1.773 1.00 0.00 C ATOM 928 C PHE A 62 -10.334 6.450 -1.782 1.00 0.00 C ATOM 929 O PHE A 62 -11.368 6.132 -1.235 1.00 0.00 O ATOM 930 CB PHE A 62 -9.481 4.383 -0.761 1.00 0.00 C ATOM 931 CG PHE A 62 -8.336 3.422 -0.547 1.00 0.00 C ATOM 932 CD1 PHE A 62 -7.081 3.881 -0.128 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.547 2.053 -0.749 1.00 0.00 C ATOM 934 CE1 PHE A 62 -6.040 2.969 0.084 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.506 1.144 -0.538 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.253 1.601 -0.122 1.00 0.00 C ATOM 0 H PHE A 62 -8.029 6.868 -0.604 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.963 5.043 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.750 4.841 0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.355 3.831 -1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.916 4.936 0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.516 1.698 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.072 3.321 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.670 0.088 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.449 0.899 0.041 1.00 0.00 H new ATOM 946 N PRO A 63 -10.171 7.590 -2.406 1.00 0.00 N ATOM 947 CA PRO A 63 -11.247 8.596 -2.502 1.00 0.00 C ATOM 948 C PRO A 63 -12.410 8.029 -3.308 1.00 0.00 C ATOM 949 O PRO A 63 -13.503 8.560 -3.316 1.00 0.00 O ATOM 950 CB PRO A 63 -10.575 9.784 -3.197 1.00 0.00 C ATOM 951 CG PRO A 63 -9.340 9.203 -3.913 1.00 0.00 C ATOM 952 CD PRO A 63 -8.926 7.979 -3.082 1.00 0.00 C ATOM 0 HA PRO A 63 -11.671 8.887 -1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.253 10.257 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.286 10.548 -2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.577 8.920 -4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.534 9.935 -3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.543 7.176 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.141 8.225 -2.367 1.00 0.00 H new ATOM 960 N SER A 64 -12.178 6.932 -3.963 1.00 0.00 N ATOM 961 CA SER A 64 -13.254 6.281 -4.755 1.00 0.00 C ATOM 962 C SER A 64 -13.300 4.794 -4.393 1.00 0.00 C ATOM 963 O SER A 64 -13.111 3.941 -5.238 1.00 0.00 O ATOM 964 CB SER A 64 -12.955 6.429 -6.249 1.00 0.00 C ATOM 965 OG SER A 64 -14.155 6.752 -6.939 1.00 0.00 O ATOM 0 H SER A 64 -11.278 6.452 -3.985 1.00 0.00 H new ATOM 0 HA SER A 64 -14.212 6.751 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.210 7.209 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.535 5.503 -6.641 1.00 0.00 H new ATOM 0 HG SER A 64 -13.966 6.849 -7.896 1.00 0.00 H new ATOM 971 N ALA A 65 -13.542 4.464 -3.146 1.00 0.00 N ATOM 972 CA ALA A 65 -13.583 3.026 -2.771 1.00 0.00 C ATOM 973 C ALA A 65 -15.023 2.536 -2.759 1.00 0.00 C ATOM 974 O ALA A 65 -15.927 3.226 -2.316 1.00 0.00 O ATOM 975 CB ALA A 65 -12.979 2.821 -1.386 1.00 0.00 C ATOM 0 H ALA A 65 -13.710 5.122 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.006 2.462 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.016 1.763 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.942 3.158 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.546 3.395 -0.653 1.00 0.00 H new ATOM 981 N LYS A 66 -15.225 1.339 -3.234 1.00 0.00 N ATOM 982 CA LYS A 66 -16.589 0.743 -3.270 1.00 0.00 C ATOM 983 C LYS A 66 -16.600 -0.521 -2.410 1.00 0.00 C ATOM 984 O LYS A 66 -15.583 -0.934 -1.890 1.00 0.00 O ATOM 985 CB LYS A 66 -16.948 0.378 -4.712 1.00 0.00 C ATOM 986 CG LYS A 66 -16.917 1.635 -5.583 1.00 0.00 C ATOM 987 CD LYS A 66 -18.288 2.313 -5.552 1.00 0.00 C ATOM 988 CE LYS A 66 -18.591 2.917 -6.924 1.00 0.00 C ATOM 989 NZ LYS A 66 -19.989 2.582 -7.317 1.00 0.00 N ATOM 0 H LYS A 66 -14.489 0.738 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.316 1.460 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.245 -0.360 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.938 -0.076 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.152 2.322 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.652 1.374 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.057 1.589 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.303 3.091 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.460 3.999 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.891 2.531 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.195 2.993 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.099 1.549 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.650 2.970 -6.614 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.733 -1.146 -2.259 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.784 -2.385 -1.435 1.00 0.00 C ATOM 1005 C ARG A 67 -16.755 -3.385 -1.968 1.00 0.00 C ATOM 1006 O ARG A 67 -16.041 -4.019 -1.217 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.184 -2.998 -1.510 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.542 -3.290 -2.970 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.931 -3.927 -3.038 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.747 -3.231 -4.071 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.638 -3.570 -5.327 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -20.466 -3.844 -5.830 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -22.703 -3.635 -6.079 1.00 0.00 N ATOM 0 H ARG A 67 -18.621 -0.855 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.556 -2.143 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.221 -3.917 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.914 -2.315 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.524 -2.368 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.802 -3.958 -3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.845 -4.986 -3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.421 -3.861 -2.067 1.00 0.00 H new ATOM 0 HE ARG A 67 -22.391 -2.489 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.634 -3.793 -5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.381 -4.109 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.619 -3.421 -5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.619 -3.900 -7.060 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.676 -3.530 -3.263 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.702 -4.483 -3.851 1.00 0.00 C ATOM 1029 C ALA A 68 -14.283 -4.103 -3.428 1.00 0.00 C ATOM 1030 O ALA A 68 -13.418 -4.947 -3.303 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.804 -4.439 -5.375 1.00 0.00 C ATOM 0 H ALA A 68 -17.249 -3.025 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.926 -5.489 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.089 -5.139 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.813 -4.716 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.583 -3.431 -5.726 1.00 0.00 H new ATOM 1037 N ASP A 69 -14.034 -2.840 -3.206 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.667 -2.417 -2.792 1.00 0.00 C ATOM 1039 C ASP A 69 -12.149 -3.371 -1.716 1.00 0.00 C ATOM 1040 O ASP A 69 -10.958 -3.546 -1.548 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.716 -0.993 -2.232 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.521 -0.196 -2.757 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -11.617 0.324 -3.857 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.529 -0.117 -2.050 1.00 0.00 O ATOM 0 H ASP A 69 -14.716 -2.086 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.001 -2.441 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.647 -0.508 -2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.699 -1.019 -1.142 1.00 0.00 H new ATOM 1049 N SER A 70 -13.036 -3.994 -0.989 1.00 0.00 N ATOM 1050 CA SER A 70 -12.596 -4.940 0.073 1.00 0.00 C ATOM 1051 C SER A 70 -11.643 -5.974 -0.531 1.00 0.00 C ATOM 1052 O SER A 70 -12.062 -6.977 -1.073 1.00 0.00 O ATOM 1053 CB SER A 70 -13.817 -5.652 0.656 1.00 0.00 C ATOM 1054 OG SER A 70 -13.385 -6.723 1.484 1.00 0.00 O ATOM 0 H SER A 70 -14.046 -3.888 -1.085 1.00 0.00 H new ATOM 0 HA SER A 70 -12.084 -4.390 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.420 -4.951 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.450 -6.030 -0.147 1.00 0.00 H new ATOM 0 HG SER A 70 -14.165 -7.181 1.861 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.363 -5.737 -0.441 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.384 -6.706 -1.009 1.00 0.00 C ATOM 1062 C GLY A 71 -8.137 -6.753 -0.124 1.00 0.00 C ATOM 1063 O GLY A 71 -8.090 -6.159 0.939 1.00 0.00 O ATOM 0 H GLY A 71 -9.953 -4.914 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.834 -7.697 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.112 -6.412 -2.023 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.120 -7.448 -0.556 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.878 -7.525 0.256 1.00 0.00 C ATOM 1069 C ASN A 72 -4.867 -6.527 -0.298 1.00 0.00 C ATOM 1070 O ASN A 72 -4.091 -6.838 -1.180 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.303 -8.941 0.179 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.215 -9.904 0.941 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -6.720 -9.575 1.997 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.451 -11.089 0.448 1.00 0.00 N ATOM 0 H ASN A 72 -7.098 -7.964 -1.435 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.098 -7.288 1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.215 -9.253 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.299 -8.961 0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.058 -11.738 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.028 -11.366 -0.438 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.871 -5.327 0.209 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.911 -4.313 -0.294 1.00 0.00 C ATOM 1083 C TYR A 73 -2.515 -4.668 0.205 1.00 0.00 C ATOM 1084 O TYR A 73 -2.125 -4.327 1.303 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.334 -2.929 0.196 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.500 -2.468 -0.644 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.757 -3.062 -0.482 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.321 -1.462 -1.599 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.835 -2.649 -1.275 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.399 -1.048 -2.392 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.656 -1.642 -2.231 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.718 -1.235 -3.012 1.00 0.00 O ATOM 0 H TYR A 73 -5.497 -5.007 0.948 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.902 -4.302 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.615 -2.968 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.505 -2.227 0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.896 -3.839 0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.351 -1.004 -1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.805 -3.107 -1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.260 -0.270 -3.128 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.262 -0.589 -2.514 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.766 -5.366 -0.603 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.393 -5.771 -0.197 1.00 0.00 C ATOM 1104 C LYS A 74 0.617 -4.982 -1.019 1.00 0.00 C ATOM 1105 O LYS A 74 0.612 -5.042 -2.227 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.206 -7.266 -0.472 1.00 0.00 C ATOM 1107 CG LYS A 74 -0.075 -8.021 0.849 1.00 0.00 C ATOM 1108 CD LYS A 74 1.303 -8.680 0.926 1.00 0.00 C ATOM 1109 CE LYS A 74 1.451 -9.684 -0.218 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.953 -10.980 0.321 1.00 0.00 N ATOM 0 H LYS A 74 -2.049 -5.675 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.246 -5.572 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.054 -7.650 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.683 -7.425 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.210 -7.336 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.856 -8.777 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.084 -7.923 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.424 -9.184 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.491 -9.831 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.141 -9.298 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.054 -11.663 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.877 -10.833 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.279 -11.349 1.021 1.00 0.00 H new ATOM 1124 N LEU A 75 1.478 -4.241 -0.385 1.00 0.00 N ATOM 1125 CA LEU A 75 2.474 -3.451 -1.159 1.00 0.00 C ATOM 1126 C LEU A 75 3.879 -4.001 -0.892 1.00 0.00 C ATOM 1127 O LEU A 75 4.179 -4.479 0.182 1.00 0.00 O ATOM 1128 CB LEU A 75 2.362 -1.970 -0.753 1.00 0.00 C ATOM 1129 CG LEU A 75 3.729 -1.283 -0.764 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.575 0.152 -1.260 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.302 -1.270 0.654 1.00 0.00 C ATOM 0 H LEU A 75 1.537 -4.147 0.629 1.00 0.00 H new ATOM 0 HA LEU A 75 2.279 -3.532 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.688 -1.454 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.924 -1.896 0.242 1.00 0.00 H new ATOM 0 HG LEU A 75 4.403 -1.826 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.549 0.641 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.164 0.146 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.901 0.696 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.276 -0.781 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.627 -0.726 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.412 -2.294 1.011 1.00 0.00 H new ATOM 1143 N LYS A 76 4.740 -3.937 -1.872 1.00 0.00 N ATOM 1144 CA LYS A 76 6.125 -4.455 -1.686 1.00 0.00 C ATOM 1145 C LYS A 76 7.131 -3.400 -2.150 1.00 0.00 C ATOM 1146 O LYS A 76 6.964 -2.783 -3.184 1.00 0.00 O ATOM 1147 CB LYS A 76 6.305 -5.728 -2.517 1.00 0.00 C ATOM 1148 CG LYS A 76 7.050 -6.780 -1.692 1.00 0.00 C ATOM 1149 CD LYS A 76 7.702 -7.797 -2.631 1.00 0.00 C ATOM 1150 CE LYS A 76 6.617 -8.652 -3.291 1.00 0.00 C ATOM 1151 NZ LYS A 76 7.253 -9.662 -4.185 1.00 0.00 N ATOM 0 H LYS A 76 4.543 -3.548 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 76 6.292 -4.678 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.333 -6.114 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.861 -5.504 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.809 -6.302 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.359 -7.284 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.287 -7.282 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.392 -8.432 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.019 -9.151 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.939 -8.019 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.515 -10.242 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.805 -9.176 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.882 -10.273 -3.626 1.00 0.00 H new ATOM 1165 N VAL A 77 8.178 -3.188 -1.399 1.00 0.00 N ATOM 1166 CA VAL A 77 9.191 -2.175 -1.810 1.00 0.00 C ATOM 1167 C VAL A 77 10.566 -2.848 -1.891 1.00 0.00 C ATOM 1168 O VAL A 77 10.809 -3.848 -1.249 1.00 0.00 O ATOM 1169 CB VAL A 77 9.201 -1.017 -0.796 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.786 -0.804 -0.253 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.135 -1.330 0.375 1.00 0.00 C ATOM 0 H VAL A 77 8.375 -3.671 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 77 8.942 -1.768 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 77 9.553 -0.119 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.792 0.016 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.113 -0.561 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.444 -1.715 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.127 -0.498 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.796 -2.235 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.148 -1.480 0.002 1.00 0.00 H new ATOM 1181 N LYS A 78 11.463 -2.326 -2.684 1.00 0.00 N ATOM 1182 CA LYS A 78 12.806 -2.966 -2.796 1.00 0.00 C ATOM 1183 C LYS A 78 13.841 -1.951 -3.285 1.00 0.00 C ATOM 1184 O LYS A 78 13.534 -0.806 -3.542 1.00 0.00 O ATOM 1185 CB LYS A 78 12.744 -4.132 -3.787 1.00 0.00 C ATOM 1186 CG LYS A 78 11.335 -4.730 -3.807 1.00 0.00 C ATOM 1187 CD LYS A 78 11.240 -5.774 -4.921 1.00 0.00 C ATOM 1188 CE LYS A 78 10.936 -5.078 -6.249 1.00 0.00 C ATOM 1189 NZ LYS A 78 12.200 -4.902 -7.018 1.00 0.00 N ATOM 0 H LYS A 78 11.326 -1.492 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 78 13.098 -3.332 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.015 -3.787 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.468 -4.897 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.109 -5.188 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.597 -3.944 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.175 -6.329 -4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.458 -6.497 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.225 -5.669 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.471 -4.109 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.312 -3.901 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.007 -5.200 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.165 -5.482 -7.881 1.00 0.00 H new ATOM 1203 N ASN A 79 15.071 -2.373 -3.418 1.00 0.00 N ATOM 1204 CA ASN A 79 16.136 -1.446 -3.893 1.00 0.00 C ATOM 1205 C ASN A 79 17.457 -2.210 -4.017 1.00 0.00 C ATOM 1206 O ASN A 79 18.067 -2.578 -3.034 1.00 0.00 O ATOM 1207 CB ASN A 79 16.304 -0.300 -2.894 1.00 0.00 C ATOM 1208 CG ASN A 79 16.391 -0.864 -1.476 1.00 0.00 C ATOM 1209 OD1 ASN A 79 15.566 -1.660 -1.075 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.364 -0.483 -0.695 1.00 0.00 N ATOM 0 H ASN A 79 15.383 -3.323 -3.217 1.00 0.00 H new ATOM 0 HA ASN A 79 15.855 -1.040 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 79 17.205 0.269 -3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 79 15.463 0.389 -2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 79 17.432 -0.854 0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.057 0.186 -1.032 1.00 0.00 H new ATOM 1217 N GLU A 80 17.904 -2.445 -5.220 1.00 0.00 N ATOM 1218 CA GLU A 80 19.185 -3.179 -5.413 1.00 0.00 C ATOM 1219 C GLU A 80 19.066 -4.598 -4.847 1.00 0.00 C ATOM 1220 O GLU A 80 18.709 -5.523 -5.550 1.00 0.00 O ATOM 1221 CB GLU A 80 20.309 -2.426 -4.702 1.00 0.00 C ATOM 1222 CG GLU A 80 21.624 -3.189 -4.874 1.00 0.00 C ATOM 1223 CD GLU A 80 22.777 -2.350 -4.321 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.519 -1.241 -3.884 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.898 -2.832 -4.343 1.00 0.00 O ATOM 0 H GLU A 80 17.435 -2.159 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 80 19.409 -3.245 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.404 -1.421 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.075 -2.318 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.573 -4.145 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.794 -3.410 -5.928 1.00 0.00 H new ATOM 1232 N LEU A 81 19.369 -4.787 -3.589 1.00 0.00 N ATOM 1233 CA LEU A 81 19.275 -6.156 -3.005 1.00 0.00 C ATOM 1234 C LEU A 81 18.457 -6.126 -1.712 1.00 0.00 C ATOM 1235 O LEU A 81 18.152 -7.152 -1.137 1.00 0.00 O ATOM 1236 CB LEU A 81 20.681 -6.681 -2.706 1.00 0.00 C ATOM 1237 CG LEU A 81 21.504 -5.582 -2.032 1.00 0.00 C ATOM 1238 CD1 LEU A 81 21.036 -5.406 -0.587 1.00 0.00 C ATOM 1239 CD2 LEU A 81 22.982 -5.976 -2.045 1.00 0.00 C ATOM 0 H LEU A 81 19.675 -4.057 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 81 18.781 -6.813 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.624 -7.556 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.166 -6.999 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 81 21.371 -4.644 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.623 -4.623 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.982 -5.127 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.169 -6.342 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.571 -5.194 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.113 -6.913 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.316 -6.102 -3.075 1.00 0.00 H new ATOM 1251 N GLY A 82 18.090 -4.963 -1.252 1.00 0.00 N ATOM 1252 CA GLY A 82 17.284 -4.880 0.000 1.00 0.00 C ATOM 1253 C GLY A 82 15.806 -4.767 -0.371 1.00 0.00 C ATOM 1254 O GLY A 82 15.447 -4.066 -1.296 1.00 0.00 O ATOM 0 H GLY A 82 18.312 -4.067 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.452 -5.764 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.592 -4.017 0.590 1.00 0.00 H new ATOM 1258 N GLU A 83 14.940 -5.455 0.325 1.00 0.00 N ATOM 1259 CA GLU A 83 13.496 -5.370 -0.029 1.00 0.00 C ATOM 1260 C GLU A 83 12.613 -5.698 1.175 1.00 0.00 C ATOM 1261 O GLU A 83 12.889 -6.597 1.946 1.00 0.00 O ATOM 1262 CB GLU A 83 13.193 -6.356 -1.159 1.00 0.00 C ATOM 1263 CG GLU A 83 13.663 -7.754 -0.755 1.00 0.00 C ATOM 1264 CD GLU A 83 14.551 -8.332 -1.859 1.00 0.00 C ATOM 1265 OE1 GLU A 83 14.429 -7.882 -2.986 1.00 0.00 O ATOM 1266 OE2 GLU A 83 15.339 -9.213 -1.557 1.00 0.00 O ATOM 0 H GLU A 83 15.167 -6.063 1.112 1.00 0.00 H new ATOM 0 HA GLU A 83 13.280 -4.350 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.124 -6.367 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.695 -6.042 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.215 -7.707 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.804 -8.404 -0.587 1.00 0.00 H new ATOM 1273 N ASP A 84 11.536 -4.976 1.320 1.00 0.00 N ATOM 1274 CA ASP A 84 10.594 -5.227 2.445 1.00 0.00 C ATOM 1275 C ASP A 84 9.168 -5.269 1.885 1.00 0.00 C ATOM 1276 O ASP A 84 8.965 -5.216 0.686 1.00 0.00 O ATOM 1277 CB ASP A 84 10.711 -4.104 3.477 1.00 0.00 C ATOM 1278 CG ASP A 84 12.081 -4.176 4.155 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.018 -4.612 3.508 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.169 -3.791 5.309 1.00 0.00 O ATOM 0 H ASP A 84 11.266 -4.214 0.698 1.00 0.00 H new ATOM 0 HA ASP A 84 10.833 -6.174 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.583 -3.136 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.920 -4.195 4.221 1.00 0.00 H new ATOM 1285 N GLU A 85 8.177 -5.366 2.729 1.00 0.00 N ATOM 1286 CA GLU A 85 6.779 -5.417 2.211 1.00 0.00 C ATOM 1287 C GLU A 85 5.783 -5.195 3.350 1.00 0.00 C ATOM 1288 O GLU A 85 5.977 -5.651 4.459 1.00 0.00 O ATOM 1289 CB GLU A 85 6.529 -6.789 1.579 1.00 0.00 C ATOM 1290 CG GLU A 85 5.033 -6.970 1.311 1.00 0.00 C ATOM 1291 CD GLU A 85 4.485 -8.089 2.198 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.154 -9.101 2.322 1.00 0.00 O ATOM 1293 OE2 GLU A 85 3.405 -7.915 2.740 1.00 0.00 O ATOM 0 H GLU A 85 8.272 -5.412 3.744 1.00 0.00 H new ATOM 0 HA GLU A 85 6.645 -4.632 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.088 -6.878 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.887 -7.576 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.502 -6.040 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.868 -7.211 0.261 1.00 0.00 H new ATOM 1300 N ALA A 86 4.710 -4.504 3.076 1.00 0.00 N ATOM 1301 CA ALA A 86 3.689 -4.257 4.130 1.00 0.00 C ATOM 1302 C ALA A 86 2.345 -4.836 3.679 1.00 0.00 C ATOM 1303 O ALA A 86 1.872 -4.561 2.592 1.00 0.00 O ATOM 1304 CB ALA A 86 3.540 -2.753 4.356 1.00 0.00 C ATOM 0 H ALA A 86 4.497 -4.099 2.164 1.00 0.00 H new ATOM 0 HA ALA A 86 4.003 -4.735 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.792 -2.573 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.496 -2.336 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.226 -2.275 3.428 1.00 0.00 H new ATOM 1310 N ILE A 87 1.728 -5.639 4.503 1.00 0.00 N ATOM 1311 CA ILE A 87 0.419 -6.237 4.119 1.00 0.00 C ATOM 1312 C ILE A 87 -0.721 -5.381 4.671 1.00 0.00 C ATOM 1313 O ILE A 87 -0.700 -4.960 5.808 1.00 0.00 O ATOM 1314 CB ILE A 87 0.320 -7.656 4.686 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -0.938 -8.349 4.131 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.264 -7.598 6.216 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.170 -8.007 4.979 1.00 0.00 C ATOM 0 H ILE A 87 2.074 -5.906 5.425 1.00 0.00 H new ATOM 0 HA ILE A 87 0.344 -6.275 3.032 1.00 0.00 H new ATOM 0 HB ILE A 87 1.198 -8.229 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.104 -8.039 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.788 -9.429 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.194 -8.609 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.167 -7.120 6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.609 -7.023 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.046 -8.508 4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.010 -8.340 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.331 -6.929 4.969 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.718 -5.122 3.870 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.860 -4.293 4.347 1.00 0.00 C ATOM 1331 C PHE A 88 -4.182 -4.947 3.935 1.00 0.00 C ATOM 1332 O PHE A 88 -4.605 -4.850 2.799 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.781 -2.895 3.721 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.400 -2.316 3.927 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.084 -1.666 5.126 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.438 -2.426 2.917 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.195 -1.128 5.315 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.841 -1.888 3.105 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.157 -1.239 4.305 1.00 0.00 C ATOM 0 H PHE A 88 -1.791 -5.449 2.906 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.811 -4.214 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.006 -2.951 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.529 -2.243 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.827 -1.579 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.682 -2.926 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.439 -0.627 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.583 -1.973 2.325 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.143 -0.824 4.451 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.852 -5.594 4.850 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.155 -6.224 4.496 1.00 0.00 C ATOM 1351 C GLU A 89 -7.212 -5.123 4.479 1.00 0.00 C ATOM 1352 O GLU A 89 -7.652 -4.659 5.511 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.524 -7.280 5.542 1.00 0.00 C ATOM 1354 CG GLU A 89 -6.082 -8.661 5.052 1.00 0.00 C ATOM 1355 CD GLU A 89 -5.591 -9.490 6.239 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -4.568 -9.135 6.802 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -6.245 -10.467 6.566 1.00 0.00 O ATOM 0 H GLU A 89 -4.556 -5.713 5.819 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.092 -6.711 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.043 -7.049 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.600 -7.272 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.913 -9.167 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.288 -8.559 4.312 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.601 -4.673 3.319 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.599 -3.572 3.260 1.00 0.00 C ATOM 1366 C VAL A 90 -9.998 -4.125 2.996 1.00 0.00 C ATOM 1367 O VAL A 90 -10.225 -4.860 2.058 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.206 -2.597 2.146 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.044 -1.322 2.256 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.721 -2.245 2.279 1.00 0.00 C ATOM 0 H VAL A 90 -7.274 -5.017 2.416 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.612 -3.053 4.218 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.386 -3.063 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.761 -0.631 1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.101 -1.572 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.868 -0.853 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.439 -1.551 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.543 -1.781 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.123 -3.153 2.196 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.939 -3.759 3.821 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.336 -4.237 3.633 1.00 0.00 C ATOM 1382 C ILE A 91 -13.233 -3.017 3.402 1.00 0.00 C ATOM 1383 O ILE A 91 -12.807 -1.892 3.564 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.784 -5.003 4.886 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.249 -6.436 4.816 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.313 -5.040 4.966 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.097 -6.603 5.809 1.00 0.00 C ATOM 0 H ILE A 91 -10.798 -3.145 4.623 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.402 -4.907 2.776 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.394 -4.499 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.046 -7.144 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.906 -6.658 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.618 -5.586 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.700 -4.022 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.712 -5.538 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.718 -7.624 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.297 -5.906 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.454 -6.399 6.818 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.461 -3.217 3.014 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.349 -2.048 2.772 1.00 0.00 C ATOM 1401 C VAL A 92 -16.750 -2.335 3.307 1.00 0.00 C ATOM 1402 O VAL A 92 -17.302 -3.397 3.102 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.417 -1.776 1.274 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.874 -0.337 1.037 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.027 -1.976 0.672 1.00 0.00 C ATOM 0 H VAL A 92 -14.885 -4.131 2.855 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.948 -1.175 3.288 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.125 -2.459 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -15.923 -0.142 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.860 -0.191 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.165 0.351 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.064 -1.784 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.325 -1.286 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.699 -3.001 0.846 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.329 -1.388 3.991 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.698 -1.597 4.542 1.00 0.00 C ATOM 1417 C GLN A 93 -19.587 -0.409 4.165 1.00 0.00 C ATOM 1418 O GLN A 93 -20.475 -0.595 3.349 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.624 -1.714 6.066 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.453 -2.620 6.452 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.592 -3.036 7.917 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -17.780 -4.198 8.216 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.506 -2.128 8.851 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.365 0.665 4.699 1.00 0.00 O ATOM 0 H GLN A 93 -16.914 -0.478 4.193 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.119 -2.513 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.496 -0.727 6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.557 -2.121 6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -17.436 -3.502 5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -16.509 -2.097 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.348 -1.152 8.600 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.597 -2.395 9.831 1.00 0.00 H new