USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 430 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 1 ARG N :NH3+ 173:sc= 0.689 (180deg=0.607) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.99! C(o=-3.4!,f=-2!) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -2.81 F(o=-4.8!,f=-2.8) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 34:sc= 0.601 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00699 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 18 GLN : amide:sc= -1.84! X(o=-1.8!,f=-1.7) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0915 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -0.98! (180deg=-1.69) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.06! C(o=-4.9!,f=-3.1!) USER MOD Single : A 28 THR OG1 : rot -100:sc= 1.39 USER MOD Single : A 31 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -2.13 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -7.09! C(o=-7.1!,f=-23!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.536 13.277 3.706 1.00 0.00 N ATOM 2 CA ARG A 1 2.286 13.079 2.252 1.00 0.00 C ATOM 3 C ARG A 1 0.918 12.410 2.057 1.00 0.00 C ATOM 4 O ARG A 1 0.192 12.181 3.005 1.00 0.00 O ATOM 5 CB ARG A 1 3.377 12.178 1.670 1.00 0.00 C ATOM 6 CG ARG A 1 3.911 12.784 0.369 1.00 0.00 C ATOM 7 CD ARG A 1 4.278 11.663 -0.617 1.00 0.00 C ATOM 8 NE ARG A 1 5.251 12.170 -1.629 1.00 0.00 N ATOM 9 CZ ARG A 1 6.103 13.111 -1.320 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.694 14.341 -1.174 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.366 12.820 -1.168 1.00 0.00 N ATOM 0 H1 ARG A 1 3.508 13.620 3.848 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.864 13.976 4.082 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.411 12.374 4.206 1.00 0.00 H new ATOM 0 HA ARG A 1 2.297 14.043 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.189 12.064 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.976 11.182 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.159 13.438 -0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.787 13.399 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.709 10.820 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.380 11.298 -1.115 1.00 0.00 H new ATOM 0 HE ARG A 1 5.251 11.778 -2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.708 14.569 -1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.360 15.075 -0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.686 11.859 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 1 8.033 13.553 -0.927 1.00 0.00 H new ATOM 27 N ILE A 2 0.558 12.087 0.841 1.00 0.00 N ATOM 28 CA ILE A 2 -0.764 11.427 0.609 1.00 0.00 C ATOM 29 C ILE A 2 -0.555 10.077 -0.063 1.00 0.00 C ATOM 30 O ILE A 2 -0.058 9.997 -1.164 1.00 0.00 O ATOM 31 CB ILE A 2 -1.634 12.301 -0.302 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.234 13.424 0.527 1.00 0.00 C ATOM 33 CG2 ILE A 2 -2.770 11.464 -0.905 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.232 14.574 0.639 1.00 0.00 C ATOM 0 H ILE A 2 1.117 12.250 0.004 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.259 11.291 1.570 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.022 12.707 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.157 13.776 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.494 13.057 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.383 12.093 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.349 10.646 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.387 11.057 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.666 15.378 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.321 14.217 1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.994 14.948 -0.357 1.00 0.00 H new ATOM 46 N CYS A 3 -0.947 9.012 0.571 1.00 0.00 N ATOM 47 CA CYS A 3 -0.766 7.687 -0.087 1.00 0.00 C ATOM 48 C CYS A 3 -2.107 6.951 -0.181 1.00 0.00 C ATOM 49 O CYS A 3 -3.075 7.349 0.422 1.00 0.00 O ATOM 50 CB CYS A 3 0.244 6.851 0.700 1.00 0.00 C ATOM 51 SG CYS A 3 1.880 7.615 0.567 1.00 0.00 S ATOM 0 H CYS A 3 -1.376 8.996 1.496 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.387 7.843 -1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.056 6.786 1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.272 5.833 0.312 1.00 0.00 H new ATOM 56 N TYR A 4 -2.181 5.880 -0.936 1.00 0.00 N ATOM 57 CA TYR A 4 -3.480 5.151 -1.044 1.00 0.00 C ATOM 58 C TYR A 4 -3.687 4.321 0.215 1.00 0.00 C ATOM 59 O TYR A 4 -2.741 3.836 0.805 1.00 0.00 O ATOM 60 CB TYR A 4 -3.483 4.236 -2.265 1.00 0.00 C ATOM 61 CG TYR A 4 -3.769 5.046 -3.503 1.00 0.00 C ATOM 62 CD1 TYR A 4 -4.970 5.756 -3.611 1.00 0.00 C ATOM 63 CD2 TYR A 4 -2.837 5.085 -4.545 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.239 6.504 -4.762 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.106 5.833 -5.696 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.308 6.544 -5.805 1.00 0.00 C ATOM 67 OH TYR A 4 -4.575 7.279 -6.940 1.00 0.00 O ATOM 0 H TYR A 4 -1.409 5.486 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.287 5.875 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.519 3.736 -2.360 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.236 3.457 -2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.689 5.726 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.910 4.538 -4.461 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.166 7.051 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.387 5.862 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 4 -3.824 7.200 -7.565 1.00 0.00 H new ATOM 77 N ASN A 5 -4.910 4.189 0.650 1.00 0.00 N ATOM 78 CA ASN A 5 -5.180 3.421 1.897 1.00 0.00 C ATOM 79 C ASN A 5 -6.020 2.152 1.632 1.00 0.00 C ATOM 80 O ASN A 5 -5.954 1.198 2.378 1.00 0.00 O ATOM 81 CB ASN A 5 -5.931 4.351 2.869 1.00 0.00 C ATOM 82 CG ASN A 5 -6.796 3.539 3.832 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.316 2.441 4.335 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.916 3.908 4.127 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.735 4.581 0.195 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.231 3.089 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.216 4.951 3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.556 5.045 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.290 4.770 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.482 3.355 4.771 1.00 0.00 H new ATOM 91 N HIS A 6 -6.852 2.137 0.626 1.00 0.00 N ATOM 92 CA HIS A 6 -7.720 0.927 0.440 1.00 0.00 C ATOM 93 C HIS A 6 -6.921 -0.311 0.075 1.00 0.00 C ATOM 94 O HIS A 6 -5.721 -0.279 -0.107 1.00 0.00 O ATOM 95 CB HIS A 6 -8.804 1.152 -0.608 1.00 0.00 C ATOM 96 CG HIS A 6 -10.074 0.475 -0.171 1.00 0.00 C ATOM 97 ND1 HIS A 6 -10.774 -0.583 -0.698 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -10.786 0.884 0.944 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -11.903 -0.829 0.078 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -11.862 0.083 1.054 1.00 0.00 N flip ATOM 0 H HIS A 6 -6.971 2.883 -0.059 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.194 0.761 1.407 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.977 2.220 -0.744 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.481 0.756 -1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.525 1.697 1.605 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.651 -1.593 -0.076 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.561 0.162 1.792 1.00 0.00 H new ATOM 108 N LEU A 7 -7.609 -1.414 -0.006 1.00 0.00 N ATOM 109 CA LEU A 7 -6.938 -2.702 -0.335 1.00 0.00 C ATOM 110 C LEU A 7 -7.277 -3.169 -1.753 1.00 0.00 C ATOM 111 O LEU A 7 -7.976 -2.512 -2.498 1.00 0.00 O ATOM 112 CB LEU A 7 -7.325 -3.800 0.676 1.00 0.00 C ATOM 113 CG LEU A 7 -8.729 -3.579 1.263 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.718 -2.374 2.207 1.00 0.00 C ATOM 115 CD2 LEU A 7 -9.751 -3.356 0.139 1.00 0.00 C ATOM 0 H LEU A 7 -8.616 -1.479 0.143 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.864 -2.525 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.287 -4.773 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.594 -3.821 1.484 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.016 -4.469 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.716 -2.225 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.014 -2.555 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.416 -1.483 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.739 -3.201 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.467 -2.478 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.773 -4.230 -0.512 1.00 0.00 H new ATOM 127 N GLY A 8 -6.785 -4.326 -2.106 1.00 0.00 N ATOM 128 CA GLY A 8 -7.057 -4.905 -3.453 1.00 0.00 C ATOM 129 C GLY A 8 -6.543 -3.980 -4.558 1.00 0.00 C ATOM 130 O GLY A 8 -5.964 -2.943 -4.301 1.00 0.00 O ATOM 0 H GLY A 8 -6.196 -4.904 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.578 -5.880 -3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.128 -5.064 -3.575 1.00 0.00 H new ATOM 134 N THR A 9 -6.752 -4.360 -5.792 1.00 0.00 N ATOM 135 CA THR A 9 -6.278 -3.523 -6.929 1.00 0.00 C ATOM 136 C THR A 9 -7.274 -2.393 -7.196 1.00 0.00 C ATOM 137 O THR A 9 -6.927 -1.369 -7.750 1.00 0.00 O ATOM 138 CB THR A 9 -6.149 -4.391 -8.184 1.00 0.00 C ATOM 139 OG1 THR A 9 -5.577 -5.644 -7.836 1.00 0.00 O ATOM 140 CG2 THR A 9 -5.254 -3.684 -9.203 1.00 0.00 C ATOM 0 H THR A 9 -7.233 -5.219 -6.060 1.00 0.00 H new ATOM 0 HA THR A 9 -5.308 -3.095 -6.676 1.00 0.00 H new ATOM 0 HB THR A 9 -7.136 -4.552 -8.619 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.496 -6.201 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.162 -4.301 -10.097 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.695 -2.723 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.267 -3.523 -8.770 1.00 0.00 H new ATOM 148 N LYS A 10 -8.508 -2.565 -6.809 1.00 0.00 N ATOM 149 CA LYS A 10 -9.513 -1.489 -7.046 1.00 0.00 C ATOM 150 C LYS A 10 -8.907 -0.146 -6.629 1.00 0.00 C ATOM 151 O LYS A 10 -7.885 -0.113 -5.973 1.00 0.00 O ATOM 152 CB LYS A 10 -10.771 -1.763 -6.211 1.00 0.00 C ATOM 153 CG LYS A 10 -10.402 -2.544 -4.948 1.00 0.00 C ATOM 154 CD LYS A 10 -11.538 -2.433 -3.929 1.00 0.00 C ATOM 155 CE LYS A 10 -11.253 -3.357 -2.744 1.00 0.00 C ATOM 156 NZ LYS A 10 -12.086 -4.587 -2.862 1.00 0.00 N ATOM 0 H LYS A 10 -8.863 -3.399 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.783 -1.464 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.249 -0.822 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.492 -2.329 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.221 -3.590 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.478 -2.153 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.633 -1.403 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.486 -2.703 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.196 -3.622 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.473 -2.844 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.893 -5.216 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.093 -4.326 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.855 -5.079 -3.749 1.00 0.00 H new ATOM 170 N PRO A 11 -9.559 0.923 -7.009 1.00 0.00 N ATOM 171 CA PRO A 11 -9.101 2.281 -6.668 1.00 0.00 C ATOM 172 C PRO A 11 -9.378 2.542 -5.184 1.00 0.00 C ATOM 173 O PRO A 11 -10.519 2.629 -4.777 1.00 0.00 O ATOM 174 CB PRO A 11 -9.942 3.185 -7.575 1.00 0.00 C ATOM 175 CG PRO A 11 -11.189 2.364 -7.972 1.00 0.00 C ATOM 176 CD PRO A 11 -10.810 0.881 -7.796 1.00 0.00 C ATOM 0 HA PRO A 11 -8.034 2.446 -6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.228 4.099 -7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.377 3.484 -8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.041 2.624 -7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.478 2.571 -9.002 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.591 0.328 -7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.660 0.390 -8.758 1.00 0.00 H new ATOM 184 N PRO A 12 -8.324 2.623 -4.411 1.00 0.00 N ATOM 185 CA PRO A 12 -8.425 2.825 -2.960 1.00 0.00 C ATOM 186 C PRO A 12 -8.725 4.286 -2.612 1.00 0.00 C ATOM 187 O PRO A 12 -8.954 5.108 -3.477 1.00 0.00 O ATOM 188 CB PRO A 12 -7.038 2.418 -2.444 1.00 0.00 C ATOM 189 CG PRO A 12 -6.074 2.548 -3.632 1.00 0.00 C ATOM 190 CD PRO A 12 -6.937 2.524 -4.908 1.00 0.00 C ATOM 0 HA PRO A 12 -9.237 2.249 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.727 3.060 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.050 1.396 -2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.504 3.475 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.353 1.730 -3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.691 3.354 -5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.782 1.607 -5.476 1.00 0.00 H new ATOM 198 N THR A 13 -8.716 4.614 -1.343 1.00 0.00 N ATOM 199 CA THR A 13 -8.988 6.016 -0.935 1.00 0.00 C ATOM 200 C THR A 13 -7.696 6.607 -0.382 1.00 0.00 C ATOM 201 O THR A 13 -7.168 6.146 0.611 1.00 0.00 O ATOM 202 CB THR A 13 -10.071 6.039 0.145 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.684 5.196 1.221 1.00 0.00 O ATOM 204 CG2 THR A 13 -11.391 5.541 -0.446 1.00 0.00 C ATOM 0 H THR A 13 -8.531 3.967 -0.576 1.00 0.00 H new ATOM 0 HA THR A 13 -9.335 6.598 -1.789 1.00 0.00 H new ATOM 0 HB THR A 13 -10.199 7.058 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.710 5.229 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.163 5.557 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.687 6.188 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.264 4.522 -0.812 1.00 0.00 H new ATOM 212 N THR A 14 -7.165 7.604 -1.025 1.00 0.00 N ATOM 213 CA THR A 14 -5.891 8.189 -0.538 1.00 0.00 C ATOM 214 C THR A 14 -5.991 8.500 0.951 1.00 0.00 C ATOM 215 O THR A 14 -7.037 8.833 1.472 1.00 0.00 O ATOM 216 CB THR A 14 -5.562 9.466 -1.306 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.764 10.152 -1.631 1.00 0.00 O ATOM 218 CG2 THR A 14 -4.811 9.102 -2.585 1.00 0.00 C ATOM 0 H THR A 14 -7.555 8.037 -1.862 1.00 0.00 H new ATOM 0 HA THR A 14 -5.095 7.462 -0.701 1.00 0.00 H new ATOM 0 HB THR A 14 -4.939 10.115 -0.690 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.550 10.972 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.573 10.010 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.889 8.581 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.435 8.455 -3.201 1.00 0.00 H new ATOM 226 N GLU A 15 -4.889 8.401 1.624 1.00 0.00 N ATOM 227 CA GLU A 15 -4.845 8.691 3.079 1.00 0.00 C ATOM 228 C GLU A 15 -3.560 9.463 3.349 1.00 0.00 C ATOM 229 O GLU A 15 -2.493 9.075 2.916 1.00 0.00 O ATOM 230 CB GLU A 15 -4.849 7.380 3.874 1.00 0.00 C ATOM 231 CG GLU A 15 -3.485 6.691 3.755 1.00 0.00 C ATOM 232 CD GLU A 15 -2.546 7.220 4.842 1.00 0.00 C ATOM 233 OE1 GLU A 15 -2.907 7.127 6.004 1.00 0.00 O ATOM 234 OE2 GLU A 15 -1.481 7.703 4.496 1.00 0.00 O ATOM 0 H GLU A 15 -3.994 8.125 1.219 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.714 9.273 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.074 7.581 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.633 6.721 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.601 5.612 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.058 6.876 2.769 1.00 0.00 H new ATOM 241 N THR A 16 -3.648 10.565 4.024 1.00 0.00 N ATOM 242 CA THR A 16 -2.421 11.361 4.275 1.00 0.00 C ATOM 243 C THR A 16 -1.551 10.677 5.328 1.00 0.00 C ATOM 244 O THR A 16 -2.015 10.267 6.373 1.00 0.00 O ATOM 245 CB THR A 16 -2.812 12.759 4.768 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.206 12.788 5.040 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.478 13.801 3.701 1.00 0.00 C ATOM 0 H THR A 16 -4.509 10.950 4.412 1.00 0.00 H new ATOM 0 HA THR A 16 -1.856 11.441 3.346 1.00 0.00 H new ATOM 0 HB THR A 16 -2.255 12.989 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.459 13.680 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.759 14.791 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.408 13.780 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.029 13.576 2.788 1.00 0.00 H new ATOM 255 N CYS A 17 -0.285 10.571 5.053 1.00 0.00 N ATOM 256 CA CYS A 17 0.654 9.936 6.015 1.00 0.00 C ATOM 257 C CYS A 17 1.953 10.729 6.000 1.00 0.00 C ATOM 258 O CYS A 17 2.359 11.236 4.975 1.00 0.00 O ATOM 259 CB CYS A 17 0.943 8.505 5.576 1.00 0.00 C ATOM 260 SG CYS A 17 0.127 7.341 6.689 1.00 0.00 S ATOM 0 H CYS A 17 0.146 10.902 4.190 1.00 0.00 H new ATOM 0 HA CYS A 17 0.219 9.926 7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.593 8.351 4.555 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.018 8.326 5.574 1.00 0.00 H new ATOM 265 N GLN A 18 2.619 10.849 7.109 1.00 0.00 N ATOM 266 CA GLN A 18 3.886 11.621 7.097 1.00 0.00 C ATOM 267 C GLN A 18 4.877 10.952 6.170 1.00 0.00 C ATOM 268 O GLN A 18 5.643 11.599 5.483 1.00 0.00 O ATOM 269 CB GLN A 18 4.515 11.659 8.473 1.00 0.00 C ATOM 270 CG GLN A 18 5.783 12.512 8.383 1.00 0.00 C ATOM 271 CD GLN A 18 5.447 13.858 7.722 1.00 0.00 C ATOM 272 OE1 GLN A 18 5.238 14.844 8.400 1.00 0.00 O ATOM 273 NE2 GLN A 18 5.392 13.936 6.414 1.00 0.00 N ATOM 0 H GLN A 18 2.347 10.454 8.009 1.00 0.00 H new ATOM 0 HA GLN A 18 3.652 12.633 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.821 12.082 9.199 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.756 10.651 8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.195 12.676 9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.545 11.990 7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.568 13.107 5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.174 14.825 5.965 1.00 0.00 H new ATOM 282 N GLU A 19 4.886 9.659 6.156 1.00 0.00 N ATOM 283 CA GLU A 19 5.859 8.966 5.275 1.00 0.00 C ATOM 284 C GLU A 19 5.489 9.282 3.836 1.00 0.00 C ATOM 285 O GLU A 19 4.396 9.004 3.384 1.00 0.00 O ATOM 286 CB GLU A 19 5.841 7.441 5.467 1.00 0.00 C ATOM 287 CG GLU A 19 5.082 7.059 6.741 1.00 0.00 C ATOM 288 CD GLU A 19 5.701 7.784 7.938 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.645 8.529 7.731 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.221 7.581 9.041 1.00 0.00 O ATOM 0 H GLU A 19 4.274 9.056 6.705 1.00 0.00 H new ATOM 0 HA GLU A 19 6.861 9.315 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.373 6.967 4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.863 7.065 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.030 7.326 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.124 5.981 6.893 1.00 0.00 H new ATOM 297 N ASP A 20 6.392 9.862 3.111 1.00 0.00 N ATOM 298 CA ASP A 20 6.081 10.198 1.694 1.00 0.00 C ATOM 299 C ASP A 20 6.030 8.908 0.899 1.00 0.00 C ATOM 300 O ASP A 20 5.553 8.874 -0.218 1.00 0.00 O ATOM 301 CB ASP A 20 7.129 11.139 1.069 1.00 0.00 C ATOM 302 CG ASP A 20 8.303 11.364 2.026 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.211 12.264 2.845 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.272 10.629 1.925 1.00 0.00 O ATOM 0 H ASP A 20 7.326 10.119 3.430 1.00 0.00 H new ATOM 0 HA ASP A 20 5.124 10.719 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.494 10.714 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.665 12.095 0.825 1.00 0.00 H new ATOM 309 N SER A 21 6.501 7.839 1.474 1.00 0.00 N ATOM 310 CA SER A 21 6.476 6.546 0.760 1.00 0.00 C ATOM 311 C SER A 21 5.078 5.948 0.884 1.00 0.00 C ATOM 312 O SER A 21 4.419 6.100 1.890 1.00 0.00 O ATOM 313 CB SER A 21 7.485 5.593 1.403 1.00 0.00 C ATOM 314 OG SER A 21 8.270 6.306 2.349 1.00 0.00 O ATOM 0 H SER A 21 6.903 7.810 2.411 1.00 0.00 H new ATOM 0 HA SER A 21 6.731 6.695 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.964 4.770 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.126 5.154 0.638 1.00 0.00 H new ATOM 0 HG SER A 21 8.916 5.697 2.763 1.00 0.00 H new ATOM 320 N CYS A 22 4.628 5.252 -0.118 1.00 0.00 N ATOM 321 CA CYS A 22 3.290 4.619 -0.044 1.00 0.00 C ATOM 322 C CYS A 22 3.520 3.142 -0.268 1.00 0.00 C ATOM 323 O CYS A 22 4.141 2.754 -1.235 1.00 0.00 O ATOM 324 CB CYS A 22 2.369 5.175 -1.127 1.00 0.00 C ATOM 325 SG CYS A 22 2.567 6.970 -1.217 1.00 0.00 S ATOM 0 H CYS A 22 5.134 5.094 -0.990 1.00 0.00 H new ATOM 0 HA CYS A 22 2.812 4.816 0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.607 4.723 -2.090 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.332 4.923 -0.904 1.00 0.00 H new ATOM 330 N TYR A 23 3.076 2.308 0.613 1.00 0.00 N ATOM 331 CA TYR A 23 3.350 0.869 0.412 1.00 0.00 C ATOM 332 C TYR A 23 2.094 0.115 0.031 1.00 0.00 C ATOM 333 O TYR A 23 1.068 0.190 0.676 1.00 0.00 O ATOM 334 CB TYR A 23 3.993 0.256 1.665 1.00 0.00 C ATOM 335 CG TYR A 23 2.966 -0.076 2.731 1.00 0.00 C ATOM 336 CD1 TYR A 23 2.157 0.922 3.296 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.841 -1.397 3.170 1.00 0.00 C ATOM 338 CE1 TYR A 23 1.228 0.591 4.290 1.00 0.00 C ATOM 339 CE2 TYR A 23 1.911 -1.726 4.164 1.00 0.00 C ATOM 340 CZ TYR A 23 1.105 -0.732 4.723 1.00 0.00 C ATOM 341 OH TYR A 23 0.189 -1.056 5.704 1.00 0.00 O ATOM 0 H TYR A 23 2.545 2.551 1.449 1.00 0.00 H new ATOM 0 HA TYR A 23 4.055 0.779 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.533 -0.650 1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.726 0.952 2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.251 1.945 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.464 -2.167 2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.605 1.360 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.817 -2.749 4.498 1.00 0.00 H new ATOM 0 HH TYR A 23 0.232 -2.018 5.887 1.00 0.00 H new ATOM 351 N LYS A 24 2.196 -0.614 -1.034 1.00 0.00 N ATOM 352 CA LYS A 24 1.047 -1.428 -1.508 1.00 0.00 C ATOM 353 C LYS A 24 1.538 -2.869 -1.664 1.00 0.00 C ATOM 354 O LYS A 24 2.379 -3.173 -2.486 1.00 0.00 O ATOM 355 CB LYS A 24 0.524 -0.841 -2.816 1.00 0.00 C ATOM 356 CG LYS A 24 -0.185 -1.893 -3.667 1.00 0.00 C ATOM 357 CD LYS A 24 0.029 -1.542 -5.135 1.00 0.00 C ATOM 358 CE LYS A 24 -1.243 -0.919 -5.703 1.00 0.00 C ATOM 359 NZ LYS A 24 -1.541 -1.527 -7.033 1.00 0.00 N ATOM 0 H LYS A 24 3.037 -0.684 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 24 0.217 -1.418 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.165 -0.025 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.354 -0.416 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.211 -2.886 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.249 -1.917 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.863 -0.847 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.291 -2.437 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.077 -1.083 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.120 0.159 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.567 -1.511 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.061 -0.984 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.203 -2.510 -7.049 1.00 0.00 H new ATOM 373 N ASN A 25 1.048 -3.740 -0.829 1.00 0.00 N ATOM 374 CA ASN A 25 1.502 -5.164 -0.844 1.00 0.00 C ATOM 375 C ASN A 25 0.310 -6.096 -1.041 1.00 0.00 C ATOM 376 O ASN A 25 -0.830 -5.675 -1.065 1.00 0.00 O ATOM 377 CB ASN A 25 2.165 -5.484 0.509 1.00 0.00 C ATOM 378 CG ASN A 25 1.562 -4.583 1.592 1.00 0.00 C ATOM 379 OD1 ASN A 25 1.736 -3.291 1.515 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 0.931 -5.059 2.513 1.00 0.00 N flip ATOM 0 H ASN A 25 0.342 -3.526 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 25 2.207 -5.309 -1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.011 -6.532 0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.242 -5.326 0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.796 -6.068 2.571 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.535 -4.450 3.229 1.00 0.00 H new ATOM 387 N ILE A 26 0.571 -7.367 -1.168 1.00 0.00 N ATOM 388 CA ILE A 26 -0.534 -8.344 -1.348 1.00 0.00 C ATOM 389 C ILE A 26 -0.601 -9.260 -0.123 1.00 0.00 C ATOM 390 O ILE A 26 -1.484 -10.086 0.000 1.00 0.00 O ATOM 391 CB ILE A 26 -0.271 -9.185 -2.598 1.00 0.00 C ATOM 392 CG1 ILE A 26 0.908 -10.124 -2.340 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.060 -8.265 -3.773 1.00 0.00 C ATOM 394 CD1 ILE A 26 0.392 -11.452 -1.790 1.00 0.00 C ATOM 0 H ILE A 26 1.507 -7.771 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.479 -7.812 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.159 -9.771 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.462 -10.292 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.600 -9.669 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.247 -8.865 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.779 -7.594 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.948 -7.679 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.233 -12.121 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.143 -11.276 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.283 -11.908 -2.514 1.00 0.00 H new ATOM 406 N TRP A 27 0.331 -9.122 0.782 1.00 0.00 N ATOM 407 CA TRP A 27 0.333 -9.988 1.998 1.00 0.00 C ATOM 408 C TRP A 27 -0.312 -9.244 3.166 1.00 0.00 C ATOM 409 O TRP A 27 0.182 -8.228 3.616 1.00 0.00 O ATOM 410 CB TRP A 27 1.771 -10.346 2.392 1.00 0.00 C ATOM 411 CG TRP A 27 2.709 -10.075 1.257 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.363 -8.908 1.054 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.107 -10.961 0.171 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.138 -9.022 -0.086 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.013 -10.268 -0.667 1.00 0.00 C ATOM 416 CE3 TRP A 27 2.773 -12.286 -0.165 1.00 0.00 C ATOM 417 CZ2 TRP A 27 4.568 -10.868 -1.798 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.329 -12.892 -1.303 1.00 0.00 C ATOM 419 CH2 TRP A 27 4.225 -12.185 -2.118 1.00 0.00 C ATOM 0 H TRP A 27 1.093 -8.446 0.732 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.227 -10.896 1.773 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.070 -9.766 3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.826 -11.398 2.674 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.292 -8.031 1.680 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.730 -8.276 -0.453 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.085 -12.840 0.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.258 -10.319 -2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.065 -13.909 -1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.649 -12.657 -2.992 1.00 0.00 H new ATOM 430 N THR A 28 -1.401 -9.746 3.673 1.00 0.00 N ATOM 431 CA THR A 28 -2.059 -9.070 4.821 1.00 0.00 C ATOM 432 C THR A 28 -2.956 -10.073 5.557 1.00 0.00 C ATOM 433 O THR A 28 -2.756 -10.357 6.721 1.00 0.00 O ATOM 434 CB THR A 28 -2.879 -7.881 4.311 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.739 -7.419 5.342 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.710 -8.301 3.098 1.00 0.00 C ATOM 0 H THR A 28 -1.863 -10.593 3.343 1.00 0.00 H new ATOM 0 HA THR A 28 -1.306 -8.700 5.517 1.00 0.00 H new ATOM 0 HB THR A 28 -2.201 -7.080 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.642 -7.771 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.290 -7.450 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.047 -8.646 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.386 -9.107 3.382 1.00 0.00 H new ATOM 444 N PHE A 29 -3.929 -10.625 4.885 1.00 0.00 N ATOM 445 CA PHE A 29 -4.824 -11.620 5.540 1.00 0.00 C ATOM 446 C PHE A 29 -4.605 -12.984 4.885 1.00 0.00 C ATOM 447 O PHE A 29 -4.032 -13.884 5.466 1.00 0.00 O ATOM 448 CB PHE A 29 -6.283 -11.195 5.359 1.00 0.00 C ATOM 449 CG PHE A 29 -6.493 -9.826 5.959 1.00 0.00 C ATOM 450 CD1 PHE A 29 -6.516 -9.666 7.350 1.00 0.00 C ATOM 451 CD2 PHE A 29 -6.669 -8.716 5.124 1.00 0.00 C ATOM 452 CE1 PHE A 29 -6.715 -8.396 7.905 1.00 0.00 C ATOM 453 CE2 PHE A 29 -6.870 -7.447 5.680 1.00 0.00 C ATOM 454 CZ PHE A 29 -6.892 -7.287 7.071 1.00 0.00 C ATOM 0 H PHE A 29 -4.143 -10.429 3.907 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.598 -11.678 6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.539 -11.181 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.944 -11.918 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.380 -10.522 7.994 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.650 -8.839 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.732 -8.273 8.978 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.008 -6.591 5.036 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.046 -6.308 7.500 1.00 0.00 H new ATOM 464 N ASP A 30 -5.055 -13.135 3.669 1.00 0.00 N ATOM 465 CA ASP A 30 -4.878 -14.427 2.952 1.00 0.00 C ATOM 466 C ASP A 30 -4.385 -14.146 1.531 1.00 0.00 C ATOM 467 O ASP A 30 -3.283 -14.504 1.162 1.00 0.00 O ATOM 468 CB ASP A 30 -6.215 -15.168 2.893 1.00 0.00 C ATOM 469 CG ASP A 30 -7.024 -14.866 4.156 1.00 0.00 C ATOM 470 OD1 ASP A 30 -7.441 -13.730 4.311 1.00 0.00 O ATOM 471 OD2 ASP A 30 -7.212 -15.775 4.947 1.00 0.00 O ATOM 0 H ASP A 30 -5.541 -12.412 3.139 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.150 -15.043 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.774 -14.861 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.044 -16.241 2.806 1.00 0.00 H new ATOM 476 N ASN A 31 -5.194 -13.502 0.729 1.00 0.00 N ATOM 477 CA ASN A 31 -4.771 -13.189 -0.667 1.00 0.00 C ATOM 478 C ASN A 31 -5.455 -11.900 -1.135 1.00 0.00 C ATOM 479 O ASN A 31 -6.447 -11.932 -1.835 1.00 0.00 O ATOM 480 CB ASN A 31 -5.162 -14.345 -1.592 1.00 0.00 C ATOM 481 CG ASN A 31 -4.060 -14.562 -2.629 1.00 0.00 C ATOM 482 OD1 ASN A 31 -3.516 -15.643 -2.738 1.00 0.00 O ATOM 483 ND2 ASN A 31 -3.704 -13.573 -3.401 1.00 0.00 N ATOM 0 H ASN A 31 -6.128 -13.180 0.981 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.690 -13.053 -0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.314 -15.255 -1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.106 -14.123 -2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.969 -13.707 -4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.160 -12.665 -3.310 1.00 0.00 H new ATOM 490 N ILE A 32 -4.934 -10.766 -0.749 1.00 0.00 N ATOM 491 CA ILE A 32 -5.554 -9.475 -1.165 1.00 0.00 C ATOM 492 C ILE A 32 -4.449 -8.436 -1.393 1.00 0.00 C ATOM 493 O ILE A 32 -3.291 -8.777 -1.515 1.00 0.00 O ATOM 494 CB ILE A 32 -6.506 -8.984 -0.064 1.00 0.00 C ATOM 495 CG1 ILE A 32 -5.983 -9.431 1.305 1.00 0.00 C ATOM 496 CG2 ILE A 32 -7.907 -9.554 -0.297 1.00 0.00 C ATOM 497 CD1 ILE A 32 -6.263 -10.923 1.524 1.00 0.00 C ATOM 0 H ILE A 32 -4.104 -10.678 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.116 -9.618 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.556 -7.896 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.912 -9.242 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.459 -8.846 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.578 -9.202 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.278 -9.223 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.865 -10.643 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.885 -11.225 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.337 -11.102 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.766 -11.504 0.748 1.00 0.00 H new ATOM 509 N ILE A 33 -4.795 -7.176 -1.449 1.00 0.00 N ATOM 510 CA ILE A 33 -3.761 -6.118 -1.666 1.00 0.00 C ATOM 511 C ILE A 33 -4.044 -4.945 -0.730 1.00 0.00 C ATOM 512 O ILE A 33 -5.172 -4.712 -0.351 1.00 0.00 O ATOM 513 CB ILE A 33 -3.820 -5.633 -3.115 1.00 0.00 C ATOM 514 CG1 ILE A 33 -4.100 -6.823 -4.031 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.484 -4.992 -3.500 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.854 -7.707 -4.119 1.00 0.00 C ATOM 0 H ILE A 33 -5.751 -6.833 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.771 -6.526 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.614 -4.894 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.941 -7.400 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.380 -6.472 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.530 -4.648 -4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.284 -4.145 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.685 -5.726 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.055 -8.556 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.024 -7.127 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.594 -8.069 -3.124 1.00 0.00 H new ATOM 528 N ARG A 34 -3.049 -4.196 -0.346 1.00 0.00 N ATOM 529 CA ARG A 34 -3.333 -3.048 0.560 1.00 0.00 C ATOM 530 C ARG A 34 -2.418 -1.864 0.288 1.00 0.00 C ATOM 531 O ARG A 34 -1.234 -1.899 0.547 1.00 0.00 O ATOM 532 CB ARG A 34 -3.191 -3.457 2.016 1.00 0.00 C ATOM 533 CG ARG A 34 -4.192 -2.636 2.831 1.00 0.00 C ATOM 534 CD ARG A 34 -4.668 -3.450 4.035 1.00 0.00 C ATOM 535 NE ARG A 34 -3.936 -3.005 5.254 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.642 -3.867 6.187 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.600 -4.641 6.053 1.00 0.00 N ATOM 538 NH2 ARG A 34 -4.388 -3.954 7.255 1.00 0.00 N ATOM 0 H ARG A 34 -2.073 -4.323 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.361 -2.745 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.385 -4.523 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.175 -3.277 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.728 -1.709 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.042 -2.359 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.741 -3.320 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.495 -4.512 3.861 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.665 -2.027 5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.017 -4.571 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.369 -5.316 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.201 -3.347 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.157 -4.629 7.985 1.00 0.00 H new ATOM 552 N ARG A 35 -2.988 -0.797 -0.189 1.00 0.00 N ATOM 553 CA ARG A 35 -2.201 0.432 -0.443 1.00 0.00 C ATOM 554 C ARG A 35 -2.176 1.252 0.840 1.00 0.00 C ATOM 555 O ARG A 35 -3.203 1.661 1.341 1.00 0.00 O ATOM 556 CB ARG A 35 -2.862 1.246 -1.552 1.00 0.00 C ATOM 557 CG ARG A 35 -3.106 0.353 -2.766 1.00 0.00 C ATOM 558 CD ARG A 35 -4.481 -0.308 -2.640 1.00 0.00 C ATOM 559 NE ARG A 35 -5.112 -0.430 -3.986 1.00 0.00 N ATOM 560 CZ ARG A 35 -4.375 -0.641 -5.041 1.00 0.00 C ATOM 561 NH1 ARG A 35 -4.082 -1.861 -5.400 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.921 0.368 -5.730 1.00 0.00 N ATOM 0 H ARG A 35 -3.980 -0.726 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.188 0.173 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.805 1.662 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.226 2.087 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.056 0.943 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.329 -0.408 -2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.380 -1.294 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.119 0.282 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.124 -0.348 -4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.430 -2.650 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.506 -2.025 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.142 1.322 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.344 0.204 -6.555 1.00 0.00 H new ATOM 576 N GLY A 36 -1.020 1.481 1.383 1.00 0.00 N ATOM 577 CA GLY A 36 -0.933 2.268 2.641 1.00 0.00 C ATOM 578 C GLY A 36 0.129 3.356 2.491 1.00 0.00 C ATOM 579 O GLY A 36 0.405 3.825 1.406 1.00 0.00 O ATOM 0 H GLY A 36 -0.127 1.157 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.900 2.718 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.682 1.613 3.475 1.00 0.00 H new ATOM 583 N CYS A 37 0.718 3.761 3.576 1.00 0.00 N ATOM 584 CA CYS A 37 1.755 4.822 3.513 1.00 0.00 C ATOM 585 C CYS A 37 3.022 4.333 4.212 1.00 0.00 C ATOM 586 O CYS A 37 2.982 3.892 5.344 1.00 0.00 O ATOM 587 CB CYS A 37 1.231 6.067 4.217 1.00 0.00 C ATOM 588 SG CYS A 37 0.376 5.584 5.739 1.00 0.00 S ATOM 0 H CYS A 37 0.525 3.400 4.510 1.00 0.00 H new ATOM 0 HA CYS A 37 1.985 5.057 2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.056 6.741 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.550 6.610 3.561 1.00 0.00 H new ATOM 593 N GLY A 38 4.142 4.388 3.548 1.00 0.00 N ATOM 594 CA GLY A 38 5.395 3.906 4.178 1.00 0.00 C ATOM 595 C GLY A 38 5.464 2.402 3.971 1.00 0.00 C ATOM 596 O GLY A 38 4.459 1.727 3.977 1.00 0.00 O ATOM 0 H GLY A 38 4.241 4.746 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.261 4.394 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.407 4.147 5.241 1.00 0.00 H new ATOM 600 N CYS A 39 6.625 1.861 3.780 1.00 0.00 N ATOM 601 CA CYS A 39 6.704 0.393 3.559 1.00 0.00 C ATOM 602 C CYS A 39 6.184 -0.326 4.790 1.00 0.00 C ATOM 603 O CYS A 39 6.202 0.194 5.889 1.00 0.00 O ATOM 604 CB CYS A 39 8.141 -0.031 3.293 1.00 0.00 C ATOM 605 SG CYS A 39 8.705 0.728 1.761 1.00 0.00 S ATOM 0 H CYS A 39 7.515 2.360 3.766 1.00 0.00 H new ATOM 0 HA CYS A 39 6.098 0.133 2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.782 0.272 4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.206 -1.117 3.221 1.00 0.00 H new ATOM 610 N PHE A 40 5.700 -1.512 4.606 1.00 0.00 N ATOM 611 CA PHE A 40 5.145 -2.276 5.758 1.00 0.00 C ATOM 612 C PHE A 40 6.260 -2.598 6.765 1.00 0.00 C ATOM 613 O PHE A 40 7.413 -2.275 6.555 1.00 0.00 O ATOM 614 CB PHE A 40 4.490 -3.564 5.250 1.00 0.00 C ATOM 615 CG PHE A 40 5.331 -4.199 4.165 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.690 -3.892 4.045 1.00 0.00 C ATOM 617 CD2 PHE A 40 4.741 -5.107 3.280 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.458 -4.488 3.044 1.00 0.00 C ATOM 619 CE2 PHE A 40 5.511 -5.710 2.281 1.00 0.00 C ATOM 620 CZ PHE A 40 6.872 -5.400 2.164 1.00 0.00 C ATOM 0 H PHE A 40 5.662 -1.992 3.707 1.00 0.00 H new ATOM 0 HA PHE A 40 4.391 -1.672 6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.364 -4.264 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.495 -3.344 4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.146 -3.192 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.691 -5.342 3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.506 -4.244 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.057 -6.414 1.600 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.468 -5.866 1.393 1.00 0.00 H new ATOM 630 N THR A 41 5.917 -3.190 7.879 1.00 0.00 N ATOM 631 CA THR A 41 6.948 -3.486 8.920 1.00 0.00 C ATOM 632 C THR A 41 7.794 -4.726 8.581 1.00 0.00 C ATOM 633 O THR A 41 8.996 -4.704 8.759 1.00 0.00 O ATOM 634 CB THR A 41 6.265 -3.693 10.277 1.00 0.00 C ATOM 635 OG1 THR A 41 5.420 -2.585 10.554 1.00 0.00 O ATOM 636 CG2 THR A 41 7.330 -3.808 11.369 1.00 0.00 C ATOM 0 H THR A 41 4.968 -3.482 8.114 1.00 0.00 H new ATOM 0 HA THR A 41 7.622 -2.630 8.956 1.00 0.00 H new ATOM 0 HB THR A 41 5.670 -4.606 10.251 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.981 -2.717 11.420 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.846 -3.955 12.335 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.980 -4.657 11.155 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.924 -2.894 11.396 1.00 0.00 H new ATOM 644 N PRO A 42 7.158 -5.781 8.136 1.00 0.00 N ATOM 645 CA PRO A 42 7.851 -7.037 7.817 1.00 0.00 C ATOM 646 C PRO A 42 8.449 -6.976 6.412 1.00 0.00 C ATOM 647 O PRO A 42 8.320 -7.898 5.631 1.00 0.00 O ATOM 648 CB PRO A 42 6.739 -8.085 7.900 1.00 0.00 C ATOM 649 CG PRO A 42 5.405 -7.325 7.695 1.00 0.00 C ATOM 650 CD PRO A 42 5.708 -5.828 7.905 1.00 0.00 C ATOM 0 HA PRO A 42 8.684 -7.254 8.486 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.870 -8.852 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.753 -8.591 8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.009 -7.503 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.651 -7.670 8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.425 -5.239 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.156 -5.426 8.755 1.00 0.00 H new ATOM 658 N ARG A 43 9.102 -5.896 6.083 1.00 0.00 N ATOM 659 CA ARG A 43 9.703 -5.779 4.728 1.00 0.00 C ATOM 660 C ARG A 43 10.804 -6.820 4.557 1.00 0.00 C ATOM 661 O ARG A 43 11.311 -7.371 5.514 1.00 0.00 O ATOM 662 CB ARG A 43 10.300 -4.382 4.552 1.00 0.00 C ATOM 663 CG ARG A 43 11.211 -4.353 3.322 1.00 0.00 C ATOM 664 CD ARG A 43 11.586 -2.906 3.003 1.00 0.00 C ATOM 665 NE ARG A 43 12.620 -2.438 3.966 1.00 0.00 N ATOM 666 CZ ARG A 43 13.666 -1.791 3.534 1.00 0.00 C ATOM 667 NH1 ARG A 43 13.569 -1.026 2.481 1.00 0.00 N ATOM 668 NH2 ARG A 43 14.808 -1.908 4.154 1.00 0.00 N ATOM 0 H ARG A 43 9.244 -5.092 6.694 1.00 0.00 H new ATOM 0 HA ARG A 43 8.928 -5.945 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.502 -3.648 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.867 -4.105 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.110 -4.941 3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.704 -4.806 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.964 -2.833 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.704 -2.269 3.062 1.00 0.00 H new ATOM 0 HE ARG A 43 12.510 -2.623 4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.676 -0.935 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.387 -0.519 2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.883 -2.506 4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.626 -1.402 3.816 1.00 0.00 H new ATOM 682 N GLY A 44 11.182 -7.087 3.340 1.00 0.00 N ATOM 683 CA GLY A 44 12.251 -8.082 3.100 1.00 0.00 C ATOM 684 C GLY A 44 12.338 -8.386 1.604 1.00 0.00 C ATOM 685 O GLY A 44 11.758 -7.701 0.786 1.00 0.00 O ATOM 0 H GLY A 44 10.793 -6.656 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.206 -7.700 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.043 -8.996 3.656 1.00 0.00 H new ATOM 689 N ASP A 45 13.061 -9.410 1.238 1.00 0.00 N ATOM 690 CA ASP A 45 13.187 -9.757 -0.205 1.00 0.00 C ATOM 691 C ASP A 45 12.036 -10.681 -0.616 1.00 0.00 C ATOM 692 O ASP A 45 11.913 -11.062 -1.762 1.00 0.00 O ATOM 693 CB ASP A 45 14.519 -10.467 -0.442 1.00 0.00 C ATOM 694 CG ASP A 45 15.624 -9.427 -0.632 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.664 -8.821 -1.689 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.411 -9.254 0.283 1.00 0.00 O ATOM 0 H ASP A 45 13.570 -10.021 1.877 1.00 0.00 H new ATOM 0 HA ASP A 45 13.148 -8.845 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.754 -11.113 0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.451 -11.106 -1.322 1.00 0.00 H new ATOM 701 N MET A 46 11.194 -11.045 0.313 1.00 0.00 N ATOM 702 CA MET A 46 10.054 -11.945 -0.027 1.00 0.00 C ATOM 703 C MET A 46 8.906 -11.142 -0.652 1.00 0.00 C ATOM 704 O MET A 46 8.380 -11.521 -1.679 1.00 0.00 O ATOM 705 CB MET A 46 9.550 -12.643 1.240 1.00 0.00 C ATOM 706 CG MET A 46 9.184 -14.091 0.909 1.00 0.00 C ATOM 707 SD MET A 46 10.655 -14.971 0.332 1.00 0.00 S ATOM 708 CE MET A 46 9.798 -16.214 -0.667 1.00 0.00 C ATOM 0 H MET A 46 11.246 -10.759 1.291 1.00 0.00 H new ATOM 0 HA MET A 46 10.401 -12.689 -0.745 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.318 -12.618 2.013 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.681 -12.118 1.637 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.775 -14.584 1.791 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.409 -14.115 0.143 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.529 -16.879 -1.127 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.130 -16.794 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.218 -15.718 -1.446 1.00 0.00 H new ATOM 718 N PRO A 47 8.540 -10.064 -0.006 1.00 0.00 N ATOM 719 CA PRO A 47 7.443 -9.198 -0.462 1.00 0.00 C ATOM 720 C PRO A 47 7.900 -8.260 -1.580 1.00 0.00 C ATOM 721 O PRO A 47 9.062 -7.928 -1.700 1.00 0.00 O ATOM 722 CB PRO A 47 7.063 -8.409 0.792 1.00 0.00 C ATOM 723 CG PRO A 47 8.297 -8.449 1.727 1.00 0.00 C ATOM 724 CD PRO A 47 9.186 -9.609 1.241 1.00 0.00 C ATOM 0 HA PRO A 47 6.610 -9.763 -0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.801 -7.382 0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.193 -8.850 1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.840 -7.505 1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.993 -8.603 2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.209 -9.278 1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.235 -10.410 1.979 1.00 0.00 H new ATOM 732 N GLY A 48 6.977 -7.827 -2.391 1.00 0.00 N ATOM 733 CA GLY A 48 7.312 -6.904 -3.502 1.00 0.00 C ATOM 734 C GLY A 48 6.140 -5.940 -3.698 1.00 0.00 C ATOM 735 O GLY A 48 5.497 -5.945 -4.729 1.00 0.00 O ATOM 0 H GLY A 48 5.991 -8.079 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.224 -6.352 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.499 -7.465 -4.418 1.00 0.00 H new ATOM 739 N PRO A 49 5.895 -5.148 -2.684 1.00 0.00 N ATOM 740 CA PRO A 49 4.795 -4.166 -2.685 1.00 0.00 C ATOM 741 C PRO A 49 5.120 -2.966 -3.555 1.00 0.00 C ATOM 742 O PRO A 49 6.104 -2.933 -4.266 1.00 0.00 O ATOM 743 CB PRO A 49 4.702 -3.721 -1.225 1.00 0.00 C ATOM 744 CG PRO A 49 6.071 -4.030 -0.595 1.00 0.00 C ATOM 745 CD PRO A 49 6.697 -5.153 -1.443 1.00 0.00 C ATOM 0 HA PRO A 49 3.872 -4.593 -3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.473 -2.658 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.905 -4.253 -0.706 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.706 -3.144 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.959 -4.344 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.750 -4.960 -1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.642 -6.116 -0.935 1.00 0.00 H new ATOM 753 N TYR A 50 4.295 -1.966 -3.476 1.00 0.00 N ATOM 754 CA TYR A 50 4.533 -0.740 -4.261 1.00 0.00 C ATOM 755 C TYR A 50 4.954 0.368 -3.301 1.00 0.00 C ATOM 756 O TYR A 50 4.193 1.265 -3.003 1.00 0.00 O ATOM 757 CB TYR A 50 3.248 -0.339 -4.987 1.00 0.00 C ATOM 758 CG TYR A 50 3.590 0.270 -6.327 1.00 0.00 C ATOM 759 CD1 TYR A 50 4.816 0.923 -6.508 1.00 0.00 C ATOM 760 CD2 TYR A 50 2.680 0.183 -7.387 1.00 0.00 C ATOM 761 CE1 TYR A 50 5.131 1.487 -7.750 1.00 0.00 C ATOM 762 CE2 TYR A 50 2.995 0.748 -8.628 1.00 0.00 C ATOM 763 CZ TYR A 50 4.220 1.400 -8.810 1.00 0.00 C ATOM 764 OH TYR A 50 4.530 1.956 -10.034 1.00 0.00 O ATOM 0 H TYR A 50 3.458 -1.950 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 50 5.315 -0.910 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.609 -1.211 -5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.686 0.375 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.518 0.991 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.735 -0.320 -7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.077 1.989 -7.891 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.293 0.681 -9.446 1.00 0.00 H new ATOM 0 HH TYR A 50 3.790 1.805 -10.659 1.00 0.00 H new ATOM 774 N CYS A 51 6.166 0.310 -2.816 1.00 0.00 N ATOM 775 CA CYS A 51 6.659 1.365 -1.887 1.00 0.00 C ATOM 776 C CYS A 51 7.090 2.557 -2.735 1.00 0.00 C ATOM 777 O CYS A 51 8.070 2.491 -3.451 1.00 0.00 O ATOM 778 CB CYS A 51 7.871 0.856 -1.124 1.00 0.00 C ATOM 779 SG CYS A 51 7.332 0.106 0.423 1.00 0.00 S ATOM 0 H CYS A 51 6.838 -0.428 -3.026 1.00 0.00 H new ATOM 0 HA CYS A 51 5.876 1.638 -1.179 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.413 0.126 -1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.559 1.677 -0.923 1.00 0.00 H new ATOM 784 N CYS A 52 6.379 3.638 -2.681 1.00 0.00 N ATOM 785 CA CYS A 52 6.783 4.813 -3.516 1.00 0.00 C ATOM 786 C CYS A 52 6.668 6.100 -2.729 1.00 0.00 C ATOM 787 O CYS A 52 5.741 6.301 -1.974 1.00 0.00 O ATOM 788 CB CYS A 52 5.896 4.941 -4.753 1.00 0.00 C ATOM 789 SG CYS A 52 4.244 4.296 -4.409 1.00 0.00 S ATOM 0 H CYS A 52 5.546 3.769 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 52 7.818 4.646 -3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.830 5.986 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.341 4.396 -5.586 1.00 0.00 H new ATOM 794 N GLU A 53 7.591 6.990 -2.936 1.00 0.00 N ATOM 795 CA GLU A 53 7.540 8.291 -2.227 1.00 0.00 C ATOM 796 C GLU A 53 6.648 9.260 -3.006 1.00 0.00 C ATOM 797 O GLU A 53 6.720 10.460 -2.833 1.00 0.00 O ATOM 798 CB GLU A 53 8.949 8.867 -2.096 1.00 0.00 C ATOM 799 CG GLU A 53 9.963 7.728 -1.965 1.00 0.00 C ATOM 800 CD GLU A 53 10.762 7.601 -3.263 1.00 0.00 C ATOM 801 OE1 GLU A 53 10.303 6.904 -4.152 1.00 0.00 O ATOM 802 OE2 GLU A 53 11.821 8.201 -3.343 1.00 0.00 O ATOM 0 H GLU A 53 8.382 6.871 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 53 7.126 8.144 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.185 9.478 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.006 9.519 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.636 7.921 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.448 6.792 -1.750 1.00 0.00 H new ATOM 809 N SER A 54 5.795 8.748 -3.857 1.00 0.00 N ATOM 810 CA SER A 54 4.892 9.641 -4.632 1.00 0.00 C ATOM 811 C SER A 54 3.508 9.622 -3.986 1.00 0.00 C ATOM 812 O SER A 54 3.059 8.613 -3.469 1.00 0.00 O ATOM 813 CB SER A 54 4.794 9.152 -6.077 1.00 0.00 C ATOM 814 OG SER A 54 5.246 7.807 -6.152 1.00 0.00 O ATOM 0 H SER A 54 5.688 7.751 -4.046 1.00 0.00 H new ATOM 0 HA SER A 54 5.288 10.657 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.764 9.221 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.395 9.786 -6.729 1.00 0.00 H new ATOM 0 HG SER A 54 5.182 7.492 -7.078 1.00 0.00 H new ATOM 820 N ASP A 55 2.822 10.727 -4.002 1.00 0.00 N ATOM 821 CA ASP A 55 1.481 10.753 -3.370 1.00 0.00 C ATOM 822 C ASP A 55 0.527 9.884 -4.180 1.00 0.00 C ATOM 823 O ASP A 55 0.664 9.753 -5.378 1.00 0.00 O ATOM 824 CB ASP A 55 0.955 12.186 -3.323 1.00 0.00 C ATOM 825 CG ASP A 55 2.101 13.140 -2.994 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.910 13.392 -3.872 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.149 13.602 -1.867 1.00 0.00 O ATOM 0 H ASP A 55 3.129 11.605 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 55 1.554 10.368 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.510 12.453 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.170 12.272 -2.572 1.00 0.00 H new ATOM 832 N LYS A 56 -0.428 9.282 -3.522 1.00 0.00 N ATOM 833 CA LYS A 56 -1.397 8.395 -4.229 1.00 0.00 C ATOM 834 C LYS A 56 -0.669 7.611 -5.323 1.00 0.00 C ATOM 835 O LYS A 56 -1.139 7.502 -6.437 1.00 0.00 O ATOM 836 CB LYS A 56 -2.517 9.239 -4.848 1.00 0.00 C ATOM 837 CG LYS A 56 -1.966 10.097 -5.990 1.00 0.00 C ATOM 838 CD LYS A 56 -1.544 11.463 -5.444 1.00 0.00 C ATOM 839 CE LYS A 56 -2.326 12.561 -6.167 1.00 0.00 C ATOM 840 NZ LYS A 56 -1.900 13.895 -5.658 1.00 0.00 N ATOM 0 H LYS A 56 -0.579 9.368 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.833 7.695 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.308 8.589 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.963 9.878 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.114 9.600 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.723 10.221 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.732 11.513 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.473 11.609 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.153 12.498 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.396 12.424 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.432 14.641 -6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.087 13.953 -4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.883 14.024 -5.831 1.00 0.00 H new ATOM 854 N CYS A 57 0.493 7.086 -5.025 1.00 0.00 N ATOM 855 CA CYS A 57 1.250 6.334 -6.067 1.00 0.00 C ATOM 856 C CYS A 57 0.916 4.833 -6.035 1.00 0.00 C ATOM 857 O CYS A 57 0.968 4.172 -7.053 1.00 0.00 O ATOM 858 CB CYS A 57 2.746 6.513 -5.823 1.00 0.00 C ATOM 859 SG CYS A 57 3.138 5.965 -4.147 1.00 0.00 S ATOM 0 H CYS A 57 0.946 7.146 -4.113 1.00 0.00 H new ATOM 0 HA CYS A 57 0.966 6.727 -7.043 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.318 5.937 -6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.026 7.558 -5.953 1.00 0.00 H new ATOM 864 N ASN A 58 0.595 4.270 -4.895 1.00 0.00 N ATOM 865 CA ASN A 58 0.301 2.810 -4.874 1.00 0.00 C ATOM 866 C ASN A 58 -1.005 2.519 -5.621 1.00 0.00 C ATOM 867 O ASN A 58 -1.983 2.096 -5.039 1.00 0.00 O ATOM 868 CB ASN A 58 0.199 2.270 -3.435 1.00 0.00 C ATOM 869 CG ASN A 58 -0.240 3.354 -2.443 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.606 4.445 -2.830 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.216 3.088 -1.158 1.00 0.00 N ATOM 0 H ASN A 58 0.526 4.750 -3.997 1.00 0.00 H new ATOM 0 HA ASN A 58 1.129 2.305 -5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.512 1.444 -3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.165 1.869 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.505 3.798 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.091 2.171 -0.833 1.00 0.00 H new ATOM 878 N LEU A 59 -1.022 2.728 -6.911 1.00 0.00 N ATOM 879 CA LEU A 59 -2.255 2.447 -7.703 1.00 0.00 C ATOM 880 C LEU A 59 -1.903 1.540 -8.884 1.00 0.00 C ATOM 881 O LEU A 59 -2.394 1.798 -9.971 1.00 0.00 O ATOM 882 CB LEU A 59 -2.838 3.759 -8.231 1.00 0.00 C ATOM 883 CG LEU A 59 -4.326 3.850 -7.877 1.00 0.00 C ATOM 884 CD1 LEU A 59 -5.114 2.854 -8.729 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.526 3.515 -6.397 1.00 0.00 C ATOM 886 OXT LEU A 59 -1.148 0.603 -8.682 1.00 0.00 O ATOM 0 H LEU A 59 -0.233 3.082 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.989 1.954 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.301 4.604 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.709 3.815 -9.312 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.680 4.862 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.173 2.918 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.977 3.089 -9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.755 1.844 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.585 3.581 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.170 2.504 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.966 4.222 -5.785 1.00 0.00 H new