USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 NoAdj : A 22 ASNHD21 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 22 ASNHD22 : A 22 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD21 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 65 ASNHD22 : A 65 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Single : A 3 THR OG1 : rot 28:sc= 0.00473 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 86:sc= -4.55! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -1.98! USER MOD Single : A 37 SER OG : rot 82:sc= -0.0344! USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -141:sc= -0.42! (180deg=-4.38!) USER MOD Single : A 44 ASN : amide:sc= -9.35! C(o=-9.4!,f=-20!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -7.17! C(o=-7.2!,f=-4.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 78:sc= -0.478! USER MOD Single : A 70 TYR OH : rot 165:sc=-0.00428 USER MOD Single : A 78 HIS : no HE2:sc= -6.56! C(o=-6.6!,f=-9.4!) USER MOD Single : A 79 GLN : amide:sc= -5.39! C(o=-5.4!,f=-6.3!) USER MOD Single : A 81 SER OG : rot -160:sc= 0.064 USER MOD Single : A 83 ASN : amide:sc= 0.234 X(o=0.23,f=-0.063) USER MOD Single : A 85 SER OG : rot -55:sc= -2.14! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 -7.972 23.219 -11.914 1.00 0.00 N ATOM 2 CA THR A 3 -7.371 23.885 -13.064 1.00 0.00 C ATOM 3 C THR A 3 -6.112 23.158 -13.525 1.00 0.00 C ATOM 4 O THR A 3 -6.174 22.260 -14.363 1.00 0.00 O ATOM 5 CB THR A 3 -7.017 25.348 -12.742 1.00 0.00 C ATOM 6 OG1 THR A 3 -8.213 26.110 -12.539 1.00 0.00 O ATOM 7 CG2 THR A 3 -6.201 25.968 -13.868 1.00 0.00 C ATOM 0 HA THR A 3 -8.111 23.865 -13.864 1.00 0.00 H new ATOM 0 HB THR A 3 -6.420 25.361 -11.830 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.926 25.520 -12.218 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.963 27.002 -13.618 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.277 25.405 -14.001 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.778 25.942 -14.792 1.00 0.00 H new ATOM 15 N ASP A 4 -4.970 23.554 -12.971 1.00 0.00 N ATOM 16 CA ASP A 4 -3.695 22.940 -13.326 1.00 0.00 C ATOM 17 C ASP A 4 -2.554 23.557 -12.524 1.00 0.00 C ATOM 18 O ASP A 4 -1.545 23.982 -13.087 1.00 0.00 O ATOM 19 CB ASP A 4 -3.427 23.097 -14.823 1.00 0.00 C ATOM 20 CG ASP A 4 -2.438 22.074 -15.344 1.00 0.00 C ATOM 21 OD1 ASP A 4 -1.885 21.311 -14.522 1.00 0.00 O ATOM 22 OD2 ASP A 4 -2.215 22.033 -16.572 1.00 0.00 O ATOM 0 H ASP A 4 -4.901 24.297 -12.275 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.752 21.878 -13.086 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.365 23.002 -15.369 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.045 24.099 -15.018 1.00 0.00 H new ATOM 27 N ILE A 5 -2.722 23.601 -11.207 1.00 0.00 N ATOM 28 CA ILE A 5 -1.710 24.162 -10.324 1.00 0.00 C ATOM 29 C ILE A 5 -0.725 23.082 -9.880 1.00 0.00 C ATOM 30 O ILE A 5 -0.984 21.890 -10.041 1.00 0.00 O ATOM 31 CB ILE A 5 -2.368 24.837 -9.096 1.00 0.00 C ATOM 32 CG1 ILE A 5 -2.642 26.312 -9.392 1.00 0.00 C ATOM 33 CG2 ILE A 5 -1.509 24.700 -7.843 1.00 0.00 C ATOM 34 CD1 ILE A 5 -4.095 26.607 -9.698 1.00 0.00 C ATOM 0 H ILE A 5 -3.553 23.253 -10.728 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.159 24.923 -10.877 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.311 24.326 -8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.331 26.910 -8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.030 26.624 -10.238 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.007 25.187 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.364 23.644 -7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.541 25.171 -8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.216 27.672 -9.898 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.406 26.036 -10.573 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.711 26.326 -8.844 1.00 0.00 H new ATOM 46 N ASP A 6 0.404 23.508 -9.321 1.00 0.00 N ATOM 47 CA ASP A 6 1.422 22.572 -8.857 1.00 0.00 C ATOM 48 C ASP A 6 0.962 21.847 -7.599 1.00 0.00 C ATOM 49 O ASP A 6 1.174 22.322 -6.482 1.00 0.00 O ATOM 50 CB ASP A 6 2.739 23.294 -8.581 1.00 0.00 C ATOM 51 CG ASP A 6 3.860 22.330 -8.250 1.00 0.00 C ATOM 52 OD1 ASP A 6 3.561 21.153 -7.948 1.00 0.00 O ATOM 53 OD2 ASP A 6 5.037 22.749 -8.291 1.00 0.00 O ATOM 0 H ASP A 6 0.636 24.491 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 6 1.580 21.839 -9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.017 23.886 -9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.604 23.990 -7.753 1.00 0.00 H new ATOM 58 N GLU A 7 0.338 20.692 -7.787 1.00 0.00 N ATOM 59 CA GLU A 7 -0.148 19.896 -6.670 1.00 0.00 C ATOM 60 C GLU A 7 1.015 19.244 -5.933 1.00 0.00 C ATOM 61 O GLU A 7 0.909 18.922 -4.749 1.00 0.00 O ATOM 62 CB GLU A 7 -1.108 18.817 -7.170 1.00 0.00 C ATOM 63 CG GLU A 7 -2.320 19.365 -7.910 1.00 0.00 C ATOM 64 CD GLU A 7 -2.038 19.639 -9.374 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.997 19.166 -9.878 1.00 0.00 O ATOM 66 OE2 GLU A 7 -2.858 20.326 -10.017 1.00 0.00 O ATOM 0 H GLU A 7 0.157 20.285 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.676 20.557 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.566 18.140 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.450 18.226 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.142 18.653 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.648 20.286 -7.429 1.00 0.00 H new ATOM 73 N CYS A 8 2.124 19.052 -6.640 1.00 0.00 N ATOM 74 CA CYS A 8 3.307 18.437 -6.052 1.00 0.00 C ATOM 75 C CYS A 8 3.958 19.379 -5.049 1.00 0.00 C ATOM 76 O CYS A 8 4.316 18.975 -3.943 1.00 0.00 O ATOM 77 CB CYS A 8 4.309 18.058 -7.144 1.00 0.00 C ATOM 78 SG CYS A 8 5.671 16.991 -6.569 1.00 0.00 S ATOM 0 H CYS A 8 2.227 19.314 -7.620 1.00 0.00 H new ATOM 0 HA CYS A 8 2.998 17.532 -5.529 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.778 17.549 -7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.730 18.970 -7.567 1.00 0.00 H new ATOM 83 N ARG A 9 4.102 20.643 -5.438 1.00 0.00 N ATOM 84 CA ARG A 9 4.702 21.641 -4.566 1.00 0.00 C ATOM 85 C ARG A 9 3.965 21.693 -3.235 1.00 0.00 C ATOM 86 O ARG A 9 4.561 21.974 -2.195 1.00 0.00 O ATOM 87 CB ARG A 9 4.680 23.017 -5.232 1.00 0.00 C ATOM 88 CG ARG A 9 6.013 23.417 -5.845 1.00 0.00 C ATOM 89 CD ARG A 9 7.111 23.477 -4.797 1.00 0.00 C ATOM 90 NE ARG A 9 8.271 24.233 -5.262 1.00 0.00 N ATOM 91 CZ ARG A 9 9.261 24.625 -4.466 1.00 0.00 C ATOM 92 NH1 ARG A 9 9.230 24.333 -3.174 1.00 0.00 N ATOM 93 NH2 ARG A 9 10.282 25.310 -4.964 1.00 0.00 N ATOM 0 H ARG A 9 3.811 20.997 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 9 5.739 21.359 -4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.916 23.023 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.390 23.764 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.287 22.702 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.916 24.389 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.720 23.935 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.419 22.464 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 9 8.324 24.473 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.446 23.807 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.990 24.634 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.308 25.536 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.041 25.610 -4.353 1.00 0.00 H new ATOM 107 N ILE A 10 2.665 21.409 -3.271 1.00 0.00 N ATOM 108 CA ILE A 10 1.856 21.411 -2.064 1.00 0.00 C ATOM 109 C ILE A 10 2.649 20.844 -0.896 1.00 0.00 C ATOM 110 O ILE A 10 2.531 21.306 0.239 1.00 0.00 O ATOM 111 CB ILE A 10 0.571 20.580 -2.256 1.00 0.00 C ATOM 112 CG1 ILE A 10 -0.425 21.344 -3.129 1.00 0.00 C ATOM 113 CG2 ILE A 10 -0.051 20.223 -0.912 1.00 0.00 C ATOM 114 CD1 ILE A 10 -1.115 22.479 -2.407 1.00 0.00 C ATOM 0 H ILE A 10 2.154 21.176 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 10 1.579 22.444 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 10 0.833 19.650 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.098 21.742 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.178 20.649 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.956 19.637 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.659 19.640 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.302 21.137 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.807 22.976 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.666 22.085 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.370 23.195 -2.060 1.00 0.00 H new ATOM 126 N SER A 11 3.452 19.831 -1.189 1.00 0.00 N ATOM 127 CA SER A 11 4.265 19.183 -0.176 1.00 0.00 C ATOM 128 C SER A 11 5.315 18.287 -0.822 1.00 0.00 C ATOM 129 O SER A 11 5.126 17.792 -1.933 1.00 0.00 O ATOM 130 CB SER A 11 3.377 18.360 0.752 1.00 0.00 C ATOM 131 OG SER A 11 3.523 18.773 2.100 1.00 0.00 O ATOM 0 H SER A 11 3.556 19.440 -2.125 1.00 0.00 H new ATOM 0 HA SER A 11 4.777 19.952 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.335 18.463 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.633 17.304 0.663 1.00 0.00 H new ATOM 0 HG SER A 11 2.942 18.231 2.673 1.00 0.00 H new ATOM 137 N PRO A 12 6.435 18.064 -0.126 1.00 0.00 N ATOM 138 CA PRO A 12 7.517 17.225 -0.619 1.00 0.00 C ATOM 139 C PRO A 12 7.266 15.756 -0.315 1.00 0.00 C ATOM 140 O PRO A 12 7.800 14.869 -0.981 1.00 0.00 O ATOM 141 CB PRO A 12 8.722 17.733 0.162 1.00 0.00 C ATOM 142 CG PRO A 12 8.164 18.215 1.461 1.00 0.00 C ATOM 143 CD PRO A 12 6.728 18.612 1.207 1.00 0.00 C ATOM 0 HA PRO A 12 7.638 17.282 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.455 16.941 0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.229 18.536 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.219 17.433 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.738 19.063 1.836 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.060 18.199 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.604 19.695 1.229 1.00 0.00 H new ATOM 151 N ASP A 13 6.437 15.513 0.692 1.00 0.00 N ATOM 152 CA ASP A 13 6.091 14.159 1.091 1.00 0.00 C ATOM 153 C ASP A 13 4.656 13.851 0.691 1.00 0.00 C ATOM 154 O ASP A 13 4.034 12.929 1.221 1.00 0.00 O ATOM 155 CB ASP A 13 6.266 13.985 2.601 1.00 0.00 C ATOM 156 CG ASP A 13 6.201 15.303 3.347 1.00 0.00 C ATOM 157 OD1 ASP A 13 5.278 16.098 3.068 1.00 0.00 O ATOM 158 OD2 ASP A 13 7.074 15.541 4.208 1.00 0.00 O ATOM 0 H ASP A 13 5.991 16.242 1.249 1.00 0.00 H new ATOM 0 HA ASP A 13 6.759 13.463 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.491 13.318 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.224 13.505 2.800 1.00 0.00 H new ATOM 163 N LEU A 14 4.140 14.645 -0.246 1.00 0.00 N ATOM 164 CA LEU A 14 2.773 14.482 -0.735 1.00 0.00 C ATOM 165 C LEU A 14 2.321 13.030 -0.656 1.00 0.00 C ATOM 166 O LEU A 14 1.323 12.712 -0.010 1.00 0.00 O ATOM 167 CB LEU A 14 2.670 14.975 -2.177 1.00 0.00 C ATOM 168 CG LEU A 14 1.579 16.012 -2.426 1.00 0.00 C ATOM 169 CD1 LEU A 14 2.065 17.062 -3.409 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.316 15.341 -2.940 1.00 0.00 C ATOM 0 H LEU A 14 4.652 15.411 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 14 2.119 15.076 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.630 15.402 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.491 14.118 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 14 1.345 16.505 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.276 17.795 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.944 17.562 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.324 16.584 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.452 16.095 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.533 14.824 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.040 14.622 -2.202 1.00 0.00 H new ATOM 182 N CYS A 15 3.066 12.155 -1.317 1.00 0.00 N ATOM 183 CA CYS A 15 2.751 10.734 -1.326 1.00 0.00 C ATOM 184 C CYS A 15 3.510 10.014 -0.218 1.00 0.00 C ATOM 185 O CYS A 15 3.151 8.906 0.182 1.00 0.00 O ATOM 186 CB CYS A 15 3.093 10.117 -2.684 1.00 0.00 C ATOM 187 SG CYS A 15 3.474 11.330 -3.991 1.00 0.00 S ATOM 0 H CYS A 15 3.895 12.406 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 15 1.681 10.619 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.948 9.453 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.255 9.501 -3.010 1.00 0.00 H new ATOM 192 N GLY A 16 4.559 10.659 0.279 1.00 0.00 N ATOM 193 CA GLY A 16 5.356 10.082 1.341 1.00 0.00 C ATOM 194 C GLY A 16 6.415 9.124 0.834 1.00 0.00 C ATOM 195 O GLY A 16 7.572 9.194 1.245 1.00 0.00 O ATOM 0 H GLY A 16 4.872 11.577 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.837 10.883 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.700 9.556 2.035 1.00 0.00 H new ATOM 199 N ARG A 17 6.019 8.222 -0.057 1.00 0.00 N ATOM 200 CA ARG A 17 6.946 7.243 -0.614 1.00 0.00 C ATOM 201 C ARG A 17 7.110 7.430 -2.117 1.00 0.00 C ATOM 202 O ARG A 17 7.978 6.817 -2.738 1.00 0.00 O ATOM 203 CB ARG A 17 6.451 5.826 -0.326 1.00 0.00 C ATOM 204 CG ARG A 17 7.506 4.761 -0.564 1.00 0.00 C ATOM 205 CD ARG A 17 8.499 4.705 0.583 1.00 0.00 C ATOM 206 NE ARG A 17 9.512 3.673 0.380 1.00 0.00 N ATOM 207 CZ ARG A 17 10.580 3.833 -0.395 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.774 4.980 -1.032 1.00 0.00 N ATOM 209 NH2 ARG A 17 11.455 2.846 -0.535 1.00 0.00 N ATOM 0 H ARG A 17 5.064 8.148 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 17 7.916 7.395 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.115 5.770 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.585 5.616 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.026 3.789 -0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.033 4.969 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.986 5.675 0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.967 4.512 1.514 1.00 0.00 H new ATOM 0 HE ARG A 17 9.394 2.780 0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.103 5.741 -0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.594 5.101 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.309 1.962 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.274 2.971 -1.130 1.00 0.00 H new ATOM 223 N GLY A 18 6.271 8.276 -2.697 1.00 0.00 N ATOM 224 CA GLY A 18 6.337 8.524 -4.124 1.00 0.00 C ATOM 225 C GLY A 18 6.646 9.970 -4.450 1.00 0.00 C ATOM 226 O GLY A 18 6.957 10.763 -3.561 1.00 0.00 O ATOM 0 H GLY A 18 5.545 8.796 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.102 7.885 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.387 8.247 -4.581 1.00 0.00 H new ATOM 230 N GLN A 19 6.560 10.312 -5.730 1.00 0.00 N ATOM 231 CA GLN A 19 6.835 11.673 -6.177 1.00 0.00 C ATOM 232 C GLN A 19 5.600 12.297 -6.821 1.00 0.00 C ATOM 233 O GLN A 19 5.202 11.915 -7.921 1.00 0.00 O ATOM 234 CB GLN A 19 7.998 11.674 -7.170 1.00 0.00 C ATOM 235 CG GLN A 19 9.186 10.845 -6.710 1.00 0.00 C ATOM 236 CD GLN A 19 10.424 11.686 -6.466 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.600 12.255 -5.389 1.00 0.00 O ATOM 238 NE2 GLN A 19 11.290 11.769 -7.470 1.00 0.00 N ATOM 0 H GLN A 19 6.302 9.667 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 19 7.105 12.269 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.648 11.292 -8.129 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.324 12.701 -7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.923 10.317 -5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.408 10.087 -7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.104 11.281 -8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.141 12.321 -7.365 1.00 0.00 H new ATOM 247 N CYS A 20 4.998 13.259 -6.127 1.00 0.00 N ATOM 248 CA CYS A 20 3.808 13.935 -6.632 1.00 0.00 C ATOM 249 C CYS A 20 4.023 14.431 -8.059 1.00 0.00 C ATOM 250 O CYS A 20 5.057 15.020 -8.373 1.00 0.00 O ATOM 251 CB CYS A 20 3.440 15.109 -5.725 1.00 0.00 C ATOM 252 SG CYS A 20 4.874 15.973 -5.002 1.00 0.00 S ATOM 0 H CYS A 20 5.315 13.587 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 20 2.990 13.215 -6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.850 15.825 -6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.805 14.745 -4.918 1.00 0.00 H new ATOM 257 N VAL A 21 3.034 14.195 -8.918 1.00 0.00 N ATOM 258 CA VAL A 21 3.112 14.624 -10.309 1.00 0.00 C ATOM 259 C VAL A 21 1.985 15.594 -10.642 1.00 0.00 C ATOM 260 O VAL A 21 0.880 15.482 -10.114 1.00 0.00 O ATOM 261 CB VAL A 21 3.043 13.431 -11.279 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.926 12.483 -10.876 1.00 0.00 C ATOM 263 CG2 VAL A 21 2.853 13.917 -12.708 1.00 0.00 C ATOM 0 H VAL A 21 2.171 13.709 -8.674 1.00 0.00 H new ATOM 0 HA VAL A 21 4.074 15.121 -10.430 1.00 0.00 H new ATOM 0 HB VAL A 21 3.986 12.887 -11.228 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.891 11.645 -11.572 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.111 12.110 -9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.974 13.013 -10.898 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.806 13.060 -13.380 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.925 14.485 -12.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.691 14.554 -12.990 1.00 0.00 H new ATOM 273 N ASN A 22 2.274 16.547 -11.519 1.00 0.00 N ATOM 274 CA ASN A 22 1.290 17.542 -11.922 1.00 0.00 C ATOM 275 C ASN A 22 0.408 17.026 -13.054 1.00 0.00 C ATOM 276 O ASN A 22 0.882 16.346 -13.965 1.00 0.00 O ATOM 277 CB ASN A 22 1.991 18.827 -12.362 1.00 0.00 C ATOM 278 CG ASN A 22 1.082 20.032 -12.267 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.695 20.616 -13.279 1.00 0.00 O ATOM 280 ND2 ASN A 22 0.737 20.412 -11.044 1.00 0.00 N ATOM 0 H ASN A 22 3.185 16.651 -11.966 1.00 0.00 H new ATOM 0 HA ASN A 22 0.655 17.749 -11.061 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.873 18.989 -11.742 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.339 18.716 -13.389 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.127 21.219 -10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.082 19.897 -10.234 1.00 0.00 H new ATOM 287 N THR A 23 -0.876 17.362 -12.991 1.00 0.00 N ATOM 288 CA THR A 23 -1.828 16.943 -14.011 1.00 0.00 C ATOM 289 C THR A 23 -2.929 17.983 -14.182 1.00 0.00 C ATOM 290 O THR A 23 -3.222 18.747 -13.262 1.00 0.00 O ATOM 291 CB THR A 23 -2.467 15.586 -13.663 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.574 15.777 -12.774 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.448 14.658 -13.020 1.00 0.00 C ATOM 0 H THR A 23 -1.281 17.924 -12.243 1.00 0.00 H new ATOM 0 HA THR A 23 -1.273 16.841 -14.944 1.00 0.00 H new ATOM 0 HB THR A 23 -2.820 15.129 -14.587 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.382 15.967 -13.294 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.922 13.706 -12.783 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.622 14.490 -13.711 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.069 15.112 -12.105 1.00 0.00 H new ATOM 301 N PRO A 24 -3.559 18.022 -15.365 1.00 0.00 N ATOM 302 CA PRO A 24 -4.637 18.970 -15.656 1.00 0.00 C ATOM 303 C PRO A 24 -5.738 18.914 -14.606 1.00 0.00 C ATOM 304 O PRO A 24 -6.543 17.983 -14.584 1.00 0.00 O ATOM 305 CB PRO A 24 -5.172 18.516 -17.023 1.00 0.00 C ATOM 306 CG PRO A 24 -4.575 17.168 -17.261 1.00 0.00 C ATOM 307 CD PRO A 24 -3.278 17.146 -16.507 1.00 0.00 C ATOM 0 HA PRO A 24 -4.284 20.001 -15.655 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.261 18.468 -17.021 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.885 19.216 -17.808 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.242 16.380 -16.912 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.410 16.998 -18.325 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.011 16.138 -16.189 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.451 17.520 -17.111 1.00 0.00 H new ATOM 315 N GLY A 25 -5.763 19.911 -13.727 1.00 0.00 N ATOM 316 CA GLY A 25 -6.765 19.943 -12.679 1.00 0.00 C ATOM 317 C GLY A 25 -6.713 18.701 -11.815 1.00 0.00 C ATOM 318 O GLY A 25 -7.746 18.130 -11.468 1.00 0.00 O ATOM 0 H GLY A 25 -5.110 20.694 -13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.613 20.825 -12.057 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.755 20.034 -13.125 1.00 0.00 H new ATOM 322 N ASP A 26 -5.501 18.283 -11.472 1.00 0.00 N ATOM 323 CA ASP A 26 -5.301 17.097 -10.649 1.00 0.00 C ATOM 324 C ASP A 26 -3.816 16.829 -10.438 1.00 0.00 C ATOM 325 O ASP A 26 -2.971 17.671 -10.748 1.00 0.00 O ATOM 326 CB ASP A 26 -5.964 15.883 -11.300 1.00 0.00 C ATOM 327 CG ASP A 26 -7.141 15.365 -10.498 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.139 15.541 -9.261 1.00 0.00 O ATOM 329 OD2 ASP A 26 -8.065 14.786 -11.105 1.00 0.00 O ATOM 0 H ASP A 26 -4.639 18.750 -11.752 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.761 17.275 -9.677 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.301 16.150 -12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.227 15.088 -11.413 1.00 0.00 H new ATOM 334 N PHE A 27 -3.502 15.654 -9.905 1.00 0.00 N ATOM 335 CA PHE A 27 -2.117 15.281 -9.649 1.00 0.00 C ATOM 336 C PHE A 27 -2.015 13.832 -9.184 1.00 0.00 C ATOM 337 O PHE A 27 -2.830 13.364 -8.389 1.00 0.00 O ATOM 338 CB PHE A 27 -1.519 16.207 -8.590 1.00 0.00 C ATOM 339 CG PHE A 27 -1.806 15.779 -7.180 1.00 0.00 C ATOM 340 CD1 PHE A 27 -0.955 14.904 -6.522 1.00 0.00 C ATOM 341 CD2 PHE A 27 -2.924 16.251 -6.511 1.00 0.00 C ATOM 342 CE1 PHE A 27 -1.215 14.508 -5.224 1.00 0.00 C ATOM 343 CE2 PHE A 27 -3.189 15.858 -5.213 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.333 14.986 -4.569 1.00 0.00 C ATOM 0 H PHE A 27 -4.187 14.945 -9.642 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.559 15.381 -10.580 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.439 16.257 -8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.907 17.214 -8.740 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.079 14.528 -7.030 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.596 16.934 -7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.545 13.826 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.064 16.232 -4.703 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.538 14.678 -3.554 1.00 0.00 H new ATOM 354 N GLU A 28 -1.002 13.130 -9.677 1.00 0.00 N ATOM 355 CA GLU A 28 -0.783 11.738 -9.303 1.00 0.00 C ATOM 356 C GLU A 28 0.412 11.625 -8.363 1.00 0.00 C ATOM 357 O GLU A 28 0.688 12.539 -7.587 1.00 0.00 O ATOM 358 CB GLU A 28 -0.557 10.878 -10.548 1.00 0.00 C ATOM 359 CG GLU A 28 -0.982 11.546 -11.837 1.00 0.00 C ATOM 360 CD GLU A 28 -2.489 11.630 -11.986 1.00 0.00 C ATOM 361 OE1 GLU A 28 -3.166 11.962 -10.990 1.00 0.00 O ATOM 362 OE2 GLU A 28 -2.992 11.361 -13.097 1.00 0.00 O ATOM 0 H GLU A 28 -0.319 13.502 -10.337 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.672 11.376 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.500 10.622 -10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.105 9.943 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.561 12.551 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.568 10.994 -12.681 1.00 0.00 H new ATOM 369 N CYS A 29 1.120 10.504 -8.435 1.00 0.00 N ATOM 370 CA CYS A 29 2.284 10.293 -7.583 1.00 0.00 C ATOM 371 C CYS A 29 3.163 9.164 -8.108 1.00 0.00 C ATOM 372 O CYS A 29 2.675 8.201 -8.699 1.00 0.00 O ATOM 373 CB CYS A 29 1.844 9.979 -6.155 1.00 0.00 C ATOM 374 SG CYS A 29 1.758 11.437 -5.067 1.00 0.00 S ATOM 0 H CYS A 29 0.911 9.733 -9.069 1.00 0.00 H new ATOM 0 HA CYS A 29 2.869 11.213 -7.590 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.864 9.502 -6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.537 9.257 -5.723 1.00 0.00 H new ATOM 379 N LYS A 30 4.465 9.289 -7.871 1.00 0.00 N ATOM 380 CA LYS A 30 5.424 8.280 -8.300 1.00 0.00 C ATOM 381 C LYS A 30 5.811 7.392 -7.124 1.00 0.00 C ATOM 382 O LYS A 30 6.946 7.425 -6.650 1.00 0.00 O ATOM 383 CB LYS A 30 6.669 8.947 -8.885 1.00 0.00 C ATOM 384 CG LYS A 30 7.523 8.011 -9.723 1.00 0.00 C ATOM 385 CD LYS A 30 8.093 6.876 -8.887 1.00 0.00 C ATOM 386 CE LYS A 30 9.104 6.058 -9.674 1.00 0.00 C ATOM 387 NZ LYS A 30 8.444 5.181 -10.681 1.00 0.00 N ATOM 0 H LYS A 30 4.880 10.082 -7.382 1.00 0.00 H new ATOM 0 HA LYS A 30 4.962 7.664 -9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.363 9.794 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.274 9.346 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.924 7.600 -10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.338 8.572 -10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.568 7.283 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.283 6.229 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.801 6.728 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.690 5.446 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.167 4.640 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.798 4.524 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.906 5.766 -11.351 1.00 0.00 H new ATOM 401 N CYS A 31 4.847 6.613 -6.648 1.00 0.00 N ATOM 402 CA CYS A 31 5.062 5.723 -5.513 1.00 0.00 C ATOM 403 C CYS A 31 6.277 4.826 -5.718 1.00 0.00 C ATOM 404 O CYS A 31 6.864 4.789 -6.800 1.00 0.00 O ATOM 405 CB CYS A 31 3.816 4.874 -5.268 1.00 0.00 C ATOM 406 SG CYS A 31 2.388 5.826 -4.660 1.00 0.00 S ATOM 0 H CYS A 31 3.903 6.580 -7.033 1.00 0.00 H new ATOM 0 HA CYS A 31 5.255 6.344 -4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.539 4.375 -6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.055 4.094 -4.545 1.00 0.00 H new ATOM 411 N ASP A 32 6.649 4.114 -4.660 1.00 0.00 N ATOM 412 CA ASP A 32 7.798 3.218 -4.696 1.00 0.00 C ATOM 413 C ASP A 32 7.540 2.013 -5.595 1.00 0.00 C ATOM 414 O ASP A 32 7.923 2.007 -6.764 1.00 0.00 O ATOM 415 CB ASP A 32 8.142 2.748 -3.281 1.00 0.00 C ATOM 416 CG ASP A 32 9.312 1.783 -3.259 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.087 0.573 -3.471 1.00 0.00 O ATOM 418 OD2 ASP A 32 10.452 2.239 -3.030 1.00 0.00 O ATOM 0 H ASP A 32 6.167 4.141 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 32 8.640 3.772 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.377 3.613 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.270 2.267 -2.839 1.00 0.00 H new ATOM 423 N GLU A 33 6.903 0.989 -5.037 1.00 0.00 N ATOM 424 CA GLU A 33 6.612 -0.226 -5.786 1.00 0.00 C ATOM 425 C GLU A 33 5.137 -0.603 -5.689 1.00 0.00 C ATOM 426 O GLU A 33 4.413 -0.581 -6.686 1.00 0.00 O ATOM 427 CB GLU A 33 7.494 -1.374 -5.279 1.00 0.00 C ATOM 428 CG GLU A 33 6.836 -2.744 -5.351 1.00 0.00 C ATOM 429 CD GLU A 33 7.831 -3.857 -5.613 1.00 0.00 C ATOM 430 OE1 GLU A 33 8.971 -3.764 -5.110 1.00 0.00 O ATOM 431 OE2 GLU A 33 7.472 -4.822 -6.320 1.00 0.00 O ATOM 0 H GLU A 33 6.579 0.977 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 33 6.834 -0.039 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.415 -1.394 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.775 -1.172 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.314 -2.942 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.084 -2.741 -6.140 1.00 0.00 H new ATOM 438 N GLY A 34 4.699 -0.956 -4.488 1.00 0.00 N ATOM 439 CA GLY A 34 3.316 -1.342 -4.290 1.00 0.00 C ATOM 440 C GLY A 34 2.532 -0.305 -3.521 1.00 0.00 C ATOM 441 O GLY A 34 1.368 -0.518 -3.189 1.00 0.00 O ATOM 0 H GLY A 34 5.276 -0.982 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.845 -1.504 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.280 -2.291 -3.755 1.00 0.00 H new ATOM 445 N TYR A 35 3.169 0.822 -3.238 1.00 0.00 N ATOM 446 CA TYR A 35 2.521 1.891 -2.504 1.00 0.00 C ATOM 447 C TYR A 35 1.440 2.541 -3.357 1.00 0.00 C ATOM 448 O TYR A 35 1.729 3.183 -4.366 1.00 0.00 O ATOM 449 CB TYR A 35 3.554 2.927 -2.068 1.00 0.00 C ATOM 450 CG TYR A 35 4.421 2.470 -0.915 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.817 1.142 -0.800 1.00 0.00 C ATOM 452 CD2 TYR A 35 4.846 3.366 0.058 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.608 0.723 0.252 1.00 0.00 C ATOM 454 CE2 TYR A 35 5.639 2.954 1.112 1.00 0.00 C ATOM 455 CZ TYR A 35 6.017 1.631 1.204 1.00 0.00 C ATOM 456 OH TYR A 35 6.806 1.218 2.252 1.00 0.00 O ATOM 0 H TYR A 35 4.133 1.017 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 35 2.050 1.472 -1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.192 3.171 -2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.039 3.844 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.501 0.427 -1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.551 4.403 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.905 -0.313 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.961 3.664 1.859 1.00 0.00 H new ATOM 0 HH TYR A 35 7.006 1.982 2.832 1.00 0.00 H new ATOM 466 N GLU A 36 0.191 2.359 -2.945 1.00 0.00 N ATOM 467 CA GLU A 36 -0.941 2.917 -3.670 1.00 0.00 C ATOM 468 C GLU A 36 -1.262 4.317 -3.161 1.00 0.00 C ATOM 469 O GLU A 36 -1.620 4.500 -1.998 1.00 0.00 O ATOM 470 CB GLU A 36 -2.158 1.985 -3.540 1.00 0.00 C ATOM 471 CG GLU A 36 -3.399 2.631 -2.935 1.00 0.00 C ATOM 472 CD GLU A 36 -4.603 1.709 -2.953 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.825 1.043 -3.987 1.00 0.00 O ATOM 474 OE2 GLU A 36 -5.323 1.653 -1.935 1.00 0.00 O ATOM 0 H GLU A 36 -0.062 1.828 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.683 2.998 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.411 1.602 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.877 1.128 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.187 2.925 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.635 3.542 -3.485 1.00 0.00 H new ATOM 481 N SER A 37 -1.129 5.301 -4.040 1.00 0.00 N ATOM 482 CA SER A 37 -1.402 6.678 -3.679 1.00 0.00 C ATOM 483 C SER A 37 -2.896 6.964 -3.750 1.00 0.00 C ATOM 484 O SER A 37 -3.460 7.126 -4.832 1.00 0.00 O ATOM 485 CB SER A 37 -0.633 7.635 -4.583 1.00 0.00 C ATOM 486 OG SER A 37 0.426 8.260 -3.878 1.00 0.00 O ATOM 0 H SER A 37 -0.834 5.167 -5.007 1.00 0.00 H new ATOM 0 HA SER A 37 -1.069 6.833 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.233 7.091 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.310 8.393 -4.976 1.00 0.00 H new ATOM 0 HG SER A 37 1.197 7.656 -3.843 1.00 0.00 H new ATOM 492 N GLY A 38 -3.530 7.014 -2.586 1.00 0.00 N ATOM 493 CA GLY A 38 -4.955 7.268 -2.523 1.00 0.00 C ATOM 494 C GLY A 38 -5.671 6.208 -1.719 1.00 0.00 C ATOM 495 O GLY A 38 -6.407 5.388 -2.267 1.00 0.00 O ATOM 0 H GLY A 38 -3.080 6.882 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.132 8.246 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.365 7.300 -3.532 1.00 0.00 H new ATOM 499 N PHE A 39 -5.431 6.213 -0.414 1.00 0.00 N ATOM 500 CA PHE A 39 -6.032 5.231 0.475 1.00 0.00 C ATOM 501 C PHE A 39 -6.824 5.891 1.600 1.00 0.00 C ATOM 502 O PHE A 39 -7.230 5.226 2.552 1.00 0.00 O ATOM 503 CB PHE A 39 -4.937 4.338 1.056 1.00 0.00 C ATOM 504 CG PHE A 39 -5.422 3.413 2.135 1.00 0.00 C ATOM 505 CD1 PHE A 39 -6.087 2.241 1.815 1.00 0.00 C ATOM 506 CD2 PHE A 39 -5.211 3.716 3.470 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.532 1.388 2.806 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.655 2.867 4.466 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.317 1.701 4.134 1.00 0.00 C ATOM 0 H PHE A 39 -4.824 6.887 0.051 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.733 4.631 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.498 3.746 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.143 4.967 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.260 1.991 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.694 4.626 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.048 0.477 2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.484 3.115 5.503 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.665 1.036 4.910 1.00 0.00 H new ATOM 519 N MET A 40 -7.050 7.197 1.489 1.00 0.00 N ATOM 520 CA MET A 40 -7.802 7.923 2.506 1.00 0.00 C ATOM 521 C MET A 40 -7.542 9.424 2.426 1.00 0.00 C ATOM 522 O MET A 40 -8.443 10.230 2.657 1.00 0.00 O ATOM 523 CB MET A 40 -7.444 7.407 3.901 1.00 0.00 C ATOM 524 CG MET A 40 -5.986 7.002 4.045 1.00 0.00 C ATOM 525 SD MET A 40 -5.157 7.862 5.395 1.00 0.00 S ATOM 526 CE MET A 40 -5.468 6.739 6.756 1.00 0.00 C ATOM 0 H MET A 40 -6.725 7.770 0.710 1.00 0.00 H new ATOM 0 HA MET A 40 -8.862 7.751 2.319 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.672 8.180 4.635 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.075 6.550 4.135 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.927 5.927 4.213 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.462 7.208 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.015 7.135 7.665 1.00 0.00 H new ATOM 0 HE2 MET A 40 -6.543 6.633 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.035 5.765 6.530 1.00 0.00 H new ATOM 536 N MET A 41 -6.308 9.794 2.100 1.00 0.00 N ATOM 537 CA MET A 41 -5.941 11.203 1.994 1.00 0.00 C ATOM 538 C MET A 41 -6.049 11.685 0.554 1.00 0.00 C ATOM 539 O MET A 41 -6.289 12.865 0.314 1.00 0.00 O ATOM 540 CB MET A 41 -4.522 11.426 2.516 1.00 0.00 C ATOM 541 CG MET A 41 -4.215 10.641 3.780 1.00 0.00 C ATOM 542 SD MET A 41 -4.788 11.475 5.273 1.00 0.00 S ATOM 543 CE MET A 41 -3.275 11.533 6.228 1.00 0.00 C ATOM 0 H MET A 41 -5.548 9.142 1.905 1.00 0.00 H new ATOM 0 HA MET A 41 -6.636 11.780 2.604 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.809 11.146 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.378 12.488 2.713 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.683 9.659 3.715 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.139 10.478 3.850 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.466 12.022 7.183 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.917 10.519 6.405 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.519 12.094 5.678 1.00 0.00 H new ATOM 553 N MET A 42 -5.866 10.745 -0.380 1.00 0.00 N ATOM 554 CA MET A 42 -5.930 10.998 -1.825 1.00 0.00 C ATOM 555 C MET A 42 -4.675 10.477 -2.502 1.00 0.00 C ATOM 556 O MET A 42 -4.660 10.230 -3.709 1.00 0.00 O ATOM 557 CB MET A 42 -6.116 12.479 -2.149 1.00 0.00 C ATOM 558 CG MET A 42 -7.524 12.969 -1.876 1.00 0.00 C ATOM 559 SD MET A 42 -8.412 13.418 -3.380 1.00 0.00 S ATOM 560 CE MET A 42 -10.046 13.751 -2.723 1.00 0.00 C ATOM 0 H MET A 42 -5.666 9.772 -0.150 1.00 0.00 H new ATOM 0 HA MET A 42 -6.803 10.468 -2.205 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.412 13.066 -1.560 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.874 12.650 -3.198 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.079 12.192 -1.350 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.481 13.833 -1.213 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.712 14.042 -3.535 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.434 12.854 -2.240 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.987 14.559 -1.994 1.00 0.00 H new ATOM 570 N LYS A 43 -3.627 10.301 -1.711 1.00 0.00 N ATOM 571 CA LYS A 43 -2.364 9.796 -2.223 1.00 0.00 C ATOM 572 C LYS A 43 -1.632 8.984 -1.155 1.00 0.00 C ATOM 573 O LYS A 43 -1.815 7.775 -1.054 1.00 0.00 O ATOM 574 CB LYS A 43 -1.491 10.947 -2.725 1.00 0.00 C ATOM 575 CG LYS A 43 -1.190 10.868 -4.208 1.00 0.00 C ATOM 576 CD LYS A 43 -2.458 10.730 -5.035 1.00 0.00 C ATOM 577 CE LYS A 43 -2.159 10.782 -6.525 1.00 0.00 C ATOM 578 NZ LYS A 43 -3.357 11.167 -7.320 1.00 0.00 N ATOM 0 H LYS A 43 -3.627 10.501 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.574 9.135 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.991 11.892 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.553 10.951 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.650 11.763 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.536 10.018 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.950 9.788 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.153 11.528 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.357 11.496 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.801 9.808 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.384 10.611 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.217 10.980 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.309 12.179 -7.553 1.00 0.00 H new ATOM 592 N ASN A 44 -0.809 9.655 -0.361 1.00 0.00 N ATOM 593 CA ASN A 44 -0.054 8.994 0.694 1.00 0.00 C ATOM 594 C ASN A 44 0.388 7.607 0.252 1.00 0.00 C ATOM 595 O ASN A 44 -0.077 6.602 0.788 1.00 0.00 O ATOM 596 CB ASN A 44 -0.891 8.895 1.971 1.00 0.00 C ATOM 597 CG ASN A 44 -2.301 8.400 1.711 1.00 0.00 C ATOM 598 OD1 ASN A 44 -3.274 9.107 1.968 1.00 0.00 O ATOM 599 ND2 ASN A 44 -2.421 7.184 1.194 1.00 0.00 N ATOM 0 H ASN A 44 -0.647 10.660 -0.428 1.00 0.00 H new ATOM 0 HA ASN A 44 0.833 9.592 0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.398 8.222 2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.936 9.874 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.346 6.803 0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.588 6.630 0.995 1.00 0.00 H new ATOM 606 N CYS A 45 1.285 7.563 -0.733 1.00 0.00 N ATOM 607 CA CYS A 45 1.795 6.299 -1.258 1.00 0.00 C ATOM 608 C CYS A 45 1.795 5.223 -0.179 1.00 0.00 C ATOM 609 O CYS A 45 2.711 5.141 0.638 1.00 0.00 O ATOM 610 CB CYS A 45 3.202 6.493 -1.819 1.00 0.00 C ATOM 611 SG CYS A 45 3.228 7.246 -3.477 1.00 0.00 S ATOM 0 H CYS A 45 1.674 8.391 -1.184 1.00 0.00 H new ATOM 0 HA CYS A 45 1.137 5.970 -2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.774 7.120 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.704 5.526 -1.860 1.00 0.00 H new ATOM 616 N MET A 46 0.738 4.419 -0.171 1.00 0.00 N ATOM 617 CA MET A 46 0.583 3.362 0.822 1.00 0.00 C ATOM 618 C MET A 46 0.351 1.999 0.171 1.00 0.00 C ATOM 619 O MET A 46 -0.667 1.788 -0.488 1.00 0.00 O ATOM 620 CB MET A 46 -0.587 3.698 1.748 1.00 0.00 C ATOM 621 CG MET A 46 -0.210 4.617 2.898 1.00 0.00 C ATOM 622 SD MET A 46 -0.439 3.844 4.511 1.00 0.00 S ATOM 623 CE MET A 46 -1.445 5.074 5.336 1.00 0.00 C ATOM 0 H MET A 46 -0.027 4.479 -0.843 1.00 0.00 H new ATOM 0 HA MET A 46 1.509 3.302 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.378 4.167 1.164 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.996 2.772 2.153 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.832 4.920 2.789 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.813 5.524 2.845 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.671 4.740 6.348 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.903 6.019 5.379 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.374 5.214 4.784 1.00 0.00 H new ATOM 633 N ASP A 47 1.307 1.084 0.369 1.00 0.00 N ATOM 634 CA ASP A 47 1.239 -0.269 -0.178 1.00 0.00 C ATOM 635 C ASP A 47 -0.186 -0.674 -0.530 1.00 0.00 C ATOM 636 O ASP A 47 -1.131 -0.390 0.206 1.00 0.00 O ATOM 637 CB ASP A 47 1.827 -1.269 0.820 1.00 0.00 C ATOM 638 CG ASP A 47 0.827 -1.691 1.880 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.597 -0.907 2.824 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.274 -2.804 1.763 1.00 0.00 O ATOM 0 H ASP A 47 2.150 1.265 0.915 1.00 0.00 H new ATOM 0 HA ASP A 47 1.823 -0.277 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.175 -2.151 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.698 -0.826 1.303 1.00 0.00 H new ATOM 645 N ILE A 48 -0.321 -1.340 -1.665 1.00 0.00 N ATOM 646 CA ILE A 48 -1.614 -1.798 -2.146 1.00 0.00 C ATOM 647 C ILE A 48 -2.006 -3.116 -1.495 1.00 0.00 C ATOM 648 O ILE A 48 -1.307 -3.623 -0.619 1.00 0.00 O ATOM 649 CB ILE A 48 -1.583 -1.997 -3.669 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.286 -2.699 -4.067 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.715 -0.661 -4.386 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.462 -3.707 -5.183 1.00 0.00 C ATOM 0 H ILE A 48 0.460 -1.578 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.346 -1.034 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.427 -2.620 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.443 -1.950 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.127 -3.204 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.691 -0.823 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.660 -0.192 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.889 -0.010 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.499 -4.166 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.167 -4.477 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.846 -3.204 -6.071 1.00 0.00 H new ATOM 664 N ASP A 49 -3.122 -3.676 -1.946 1.00 0.00 N ATOM 665 CA ASP A 49 -3.603 -4.945 -1.425 1.00 0.00 C ATOM 666 C ASP A 49 -3.319 -6.061 -2.421 1.00 0.00 C ATOM 667 O ASP A 49 -4.227 -6.559 -3.082 1.00 0.00 O ATOM 668 CB ASP A 49 -5.103 -4.875 -1.133 1.00 0.00 C ATOM 669 CG ASP A 49 -5.646 -6.189 -0.607 1.00 0.00 C ATOM 670 OD1 ASP A 49 -5.008 -7.235 -0.850 1.00 0.00 O ATOM 671 OD2 ASP A 49 -6.709 -6.172 0.049 1.00 0.00 O ATOM 0 H ASP A 49 -3.710 -3.269 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.078 -5.156 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.293 -4.087 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.636 -4.602 -2.044 1.00 0.00 H new ATOM 676 N GLU A 50 -2.052 -6.440 -2.528 1.00 0.00 N ATOM 677 CA GLU A 50 -1.641 -7.490 -3.448 1.00 0.00 C ATOM 678 C GLU A 50 -2.547 -8.712 -3.338 1.00 0.00 C ATOM 679 O GLU A 50 -2.688 -9.479 -4.289 1.00 0.00 O ATOM 680 CB GLU A 50 -0.200 -7.893 -3.160 1.00 0.00 C ATOM 681 CG GLU A 50 0.828 -6.890 -3.657 1.00 0.00 C ATOM 682 CD GLU A 50 1.305 -5.956 -2.562 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.477 -6.423 -1.417 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.503 -4.756 -2.848 1.00 0.00 O ATOM 0 H GLU A 50 -1.289 -6.033 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.720 -7.099 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.077 -8.023 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.004 -8.860 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.682 -7.425 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.396 -6.303 -4.468 1.00 0.00 H new ATOM 691 N CYS A 51 -3.156 -8.889 -2.171 1.00 0.00 N ATOM 692 CA CYS A 51 -4.046 -10.023 -1.943 1.00 0.00 C ATOM 693 C CYS A 51 -5.384 -9.810 -2.639 1.00 0.00 C ATOM 694 O CYS A 51 -6.191 -10.732 -2.759 1.00 0.00 O ATOM 695 CB CYS A 51 -4.269 -10.238 -0.446 1.00 0.00 C ATOM 696 SG CYS A 51 -5.234 -11.732 -0.049 1.00 0.00 S ATOM 0 H CYS A 51 -3.051 -8.265 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.572 -10.911 -2.362 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.300 -10.301 0.050 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.781 -9.367 -0.036 1.00 0.00 H new ATOM 701 N GLN A 52 -5.608 -8.585 -3.099 1.00 0.00 N ATOM 702 CA GLN A 52 -6.840 -8.236 -3.790 1.00 0.00 C ATOM 703 C GLN A 52 -6.561 -7.953 -5.259 1.00 0.00 C ATOM 704 O GLN A 52 -7.437 -8.096 -6.111 1.00 0.00 O ATOM 705 CB GLN A 52 -7.482 -7.014 -3.132 1.00 0.00 C ATOM 706 CG GLN A 52 -8.471 -7.368 -2.036 1.00 0.00 C ATOM 707 CD GLN A 52 -9.577 -6.340 -1.895 1.00 0.00 C ATOM 708 OE1 GLN A 52 -10.485 -6.271 -2.725 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.507 -5.535 -0.841 1.00 0.00 N ATOM 0 H GLN A 52 -4.947 -7.814 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.529 -9.078 -3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.698 -6.382 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.992 -6.426 -3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.911 -8.342 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.941 -7.458 -1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.737 -5.628 -0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.223 -4.824 -0.694 1.00 0.00 H new ATOM 718 N ARG A 53 -5.327 -7.555 -5.543 1.00 0.00 N ATOM 719 CA ARG A 53 -4.912 -7.254 -6.906 1.00 0.00 C ATOM 720 C ARG A 53 -5.274 -8.402 -7.843 1.00 0.00 C ATOM 721 O ARG A 53 -5.587 -8.188 -9.014 1.00 0.00 O ATOM 722 CB ARG A 53 -3.404 -6.996 -6.949 1.00 0.00 C ATOM 723 CG ARG A 53 -2.831 -6.939 -8.354 1.00 0.00 C ATOM 724 CD ARG A 53 -1.472 -7.613 -8.420 1.00 0.00 C ATOM 725 NE ARG A 53 -0.831 -7.432 -9.719 1.00 0.00 N ATOM 726 CZ ARG A 53 0.486 -7.447 -9.899 1.00 0.00 C ATOM 727 NH1 ARG A 53 1.297 -7.635 -8.867 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.993 -7.274 -11.113 1.00 0.00 N ATOM 0 H ARG A 53 -4.594 -7.433 -4.844 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.436 -6.358 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.191 -6.055 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.895 -7.781 -6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.515 -7.426 -9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.740 -5.900 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.829 -7.207 -7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.586 -8.678 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.427 -7.286 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.911 -7.769 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.307 -7.646 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.372 -7.129 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.004 -7.286 -11.250 1.00 0.00 H new ATOM 742 N ASP A 54 -5.231 -9.620 -7.315 1.00 0.00 N ATOM 743 CA ASP A 54 -5.556 -10.806 -8.096 1.00 0.00 C ATOM 744 C ASP A 54 -6.567 -11.679 -7.359 1.00 0.00 C ATOM 745 O ASP A 54 -6.614 -11.693 -6.129 1.00 0.00 O ATOM 746 CB ASP A 54 -4.289 -11.610 -8.393 1.00 0.00 C ATOM 747 CG ASP A 54 -3.332 -10.864 -9.302 1.00 0.00 C ATOM 748 OD1 ASP A 54 -3.741 -10.501 -10.425 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.173 -10.644 -8.892 1.00 0.00 O ATOM 0 H ASP A 54 -4.973 -9.811 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.000 -10.482 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.785 -11.848 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.563 -12.557 -8.857 1.00 0.00 H new ATOM 754 N PRO A 55 -7.395 -12.416 -8.111 1.00 0.00 N ATOM 755 CA PRO A 55 -8.416 -13.292 -7.551 1.00 0.00 C ATOM 756 C PRO A 55 -7.890 -14.695 -7.269 1.00 0.00 C ATOM 757 O PRO A 55 -8.602 -15.540 -6.727 1.00 0.00 O ATOM 758 CB PRO A 55 -9.463 -13.322 -8.660 1.00 0.00 C ATOM 759 CG PRO A 55 -8.682 -13.170 -9.927 1.00 0.00 C ATOM 760 CD PRO A 55 -7.403 -12.444 -9.581 1.00 0.00 C ATOM 0 HA PRO A 55 -8.789 -12.940 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.023 -14.257 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.187 -12.516 -8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.465 -14.145 -10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.254 -12.610 -10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.530 -12.964 -9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.390 -11.438 -9.999 1.00 0.00 H new ATOM 768 N LEU A 56 -6.637 -14.933 -7.640 1.00 0.00 N ATOM 769 CA LEU A 56 -6.009 -16.230 -7.428 1.00 0.00 C ATOM 770 C LEU A 56 -4.869 -16.118 -6.422 1.00 0.00 C ATOM 771 O LEU A 56 -4.336 -17.126 -5.958 1.00 0.00 O ATOM 772 CB LEU A 56 -5.488 -16.791 -8.750 1.00 0.00 C ATOM 773 CG LEU A 56 -6.337 -17.908 -9.360 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.796 -19.270 -8.957 1.00 0.00 C ATOM 775 CD2 LEU A 56 -7.794 -17.767 -8.941 1.00 0.00 C ATOM 0 H LEU A 56 -6.036 -14.243 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.760 -16.911 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.416 -15.976 -9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.477 -17.168 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.284 -17.823 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.413 -20.052 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.770 -19.373 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.817 -19.363 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.380 -18.571 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.867 -17.823 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.179 -16.806 -9.282 1.00 0.00 H new ATOM 787 N LEU A 57 -4.500 -14.886 -6.089 1.00 0.00 N ATOM 788 CA LEU A 57 -3.425 -14.644 -5.138 1.00 0.00 C ATOM 789 C LEU A 57 -3.671 -15.399 -3.842 1.00 0.00 C ATOM 790 O LEU A 57 -4.679 -15.184 -3.168 1.00 0.00 O ATOM 791 CB LEU A 57 -3.288 -13.148 -4.856 1.00 0.00 C ATOM 792 CG LEU A 57 -1.887 -12.696 -4.447 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.448 -11.502 -5.281 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.848 -12.358 -2.964 1.00 0.00 C ATOM 0 H LEU A 57 -4.930 -14.041 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.496 -15.006 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.586 -12.596 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.987 -12.877 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.192 -13.516 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.448 -11.193 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.437 -11.779 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.144 -10.677 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.843 -12.038 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.554 -11.554 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.119 -13.239 -2.383 1.00 0.00 H new ATOM 806 N CYS A 58 -2.748 -16.289 -3.500 1.00 0.00 N ATOM 807 CA CYS A 58 -2.874 -17.079 -2.287 1.00 0.00 C ATOM 808 C CYS A 58 -4.279 -17.652 -2.184 1.00 0.00 C ATOM 809 O CYS A 58 -4.772 -17.938 -1.092 1.00 0.00 O ATOM 810 CB CYS A 58 -2.548 -16.221 -1.067 1.00 0.00 C ATOM 811 SG CYS A 58 -0.896 -15.459 -1.145 1.00 0.00 S ATOM 0 H CYS A 58 -1.907 -16.480 -4.045 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.166 -17.907 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.299 -15.436 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.615 -16.836 -0.170 1.00 0.00 H new ATOM 816 N ARG A 59 -4.912 -17.821 -3.339 1.00 0.00 N ATOM 817 CA ARG A 59 -6.260 -18.365 -3.409 1.00 0.00 C ATOM 818 C ARG A 59 -6.419 -19.527 -2.435 1.00 0.00 C ATOM 819 O ARG A 59 -7.512 -19.790 -1.935 1.00 0.00 O ATOM 820 CB ARG A 59 -6.563 -18.823 -4.837 1.00 0.00 C ATOM 821 CG ARG A 59 -8.047 -18.938 -5.142 1.00 0.00 C ATOM 822 CD ARG A 59 -8.391 -20.293 -5.738 1.00 0.00 C ATOM 823 NE ARG A 59 -9.788 -20.651 -5.515 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.792 -20.192 -6.255 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.552 -19.359 -7.259 1.00 0.00 N ATOM 826 NH2 ARG A 59 -12.038 -20.564 -5.992 1.00 0.00 N ATOM 0 H ARG A 59 -4.508 -17.587 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.968 -17.585 -3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.111 -18.121 -5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.091 -19.791 -5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.620 -18.786 -4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.339 -18.150 -5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.187 -20.280 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.747 -21.056 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.006 -21.289 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.596 -19.070 -7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.324 -19.008 -7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.227 -21.204 -5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.807 -20.210 -6.561 1.00 0.00 H new ATOM 840 N GLY A 60 -5.312 -20.210 -2.163 1.00 0.00 N ATOM 841 CA GLY A 60 -5.332 -21.330 -1.242 1.00 0.00 C ATOM 842 C GLY A 60 -4.148 -21.306 -0.298 1.00 0.00 C ATOM 843 O GLY A 60 -3.773 -22.333 0.269 1.00 0.00 O ATOM 0 H GLY A 60 -4.398 -20.006 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.257 -21.309 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.328 -22.263 -1.805 1.00 0.00 H new ATOM 847 N GLY A 61 -3.554 -20.128 -0.133 1.00 0.00 N ATOM 848 CA GLY A 61 -2.409 -19.985 0.744 1.00 0.00 C ATOM 849 C GLY A 61 -2.585 -18.872 1.761 1.00 0.00 C ATOM 850 O GLY A 61 -3.671 -18.695 2.314 1.00 0.00 O ATOM 0 H GLY A 61 -3.848 -19.267 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.238 -20.926 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.520 -19.787 0.145 1.00 0.00 H new ATOM 854 N VAL A 62 -1.514 -18.123 2.009 1.00 0.00 N ATOM 855 CA VAL A 62 -1.551 -17.022 2.965 1.00 0.00 C ATOM 856 C VAL A 62 -1.170 -15.707 2.296 1.00 0.00 C ATOM 857 O VAL A 62 -0.230 -15.652 1.504 1.00 0.00 O ATOM 858 CB VAL A 62 -0.604 -17.277 4.152 1.00 0.00 C ATOM 859 CG1 VAL A 62 -0.516 -16.045 5.040 1.00 0.00 C ATOM 860 CG2 VAL A 62 -1.060 -18.488 4.950 1.00 0.00 C ATOM 0 H VAL A 62 -0.608 -18.259 1.560 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.574 -16.956 3.337 1.00 0.00 H new ATOM 0 HB VAL A 62 0.392 -17.485 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.158 -16.244 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.136 -15.204 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.507 -15.802 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.378 -18.652 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.066 -18.314 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.064 -19.368 4.306 1.00 0.00 H new ATOM 870 N CYS A 63 -1.910 -14.651 2.616 1.00 0.00 N ATOM 871 CA CYS A 63 -1.655 -13.336 2.039 1.00 0.00 C ATOM 872 C CYS A 63 -0.791 -12.477 2.957 1.00 0.00 C ATOM 873 O CYS A 63 -1.305 -11.727 3.785 1.00 0.00 O ATOM 874 CB CYS A 63 -2.976 -12.617 1.763 1.00 0.00 C ATOM 875 SG CYS A 63 -3.819 -13.157 0.242 1.00 0.00 S ATOM 0 H CYS A 63 -2.691 -14.680 3.272 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.115 -13.487 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.645 -12.772 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.787 -11.546 1.699 1.00 0.00 H new ATOM 880 N HIS A 64 0.524 -12.580 2.796 1.00 0.00 N ATOM 881 CA HIS A 64 1.451 -11.796 3.602 1.00 0.00 C ATOM 882 C HIS A 64 1.752 -10.466 2.924 1.00 0.00 C ATOM 883 O HIS A 64 2.912 -10.082 2.774 1.00 0.00 O ATOM 884 CB HIS A 64 2.749 -12.570 3.831 1.00 0.00 C ATOM 885 CG HIS A 64 2.569 -13.816 4.640 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.620 -15.080 4.094 1.00 0.00 N ATOM 887 CD2 HIS A 64 2.334 -13.988 5.963 1.00 0.00 C ATOM 888 CE1 HIS A 64 2.425 -15.976 5.043 1.00 0.00 C ATOM 889 NE2 HIS A 64 2.250 -15.339 6.187 1.00 0.00 N ATOM 0 H HIS A 64 0.970 -13.197 2.117 1.00 0.00 H new ATOM 0 HA HIS A 64 0.984 -11.601 4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.180 -12.833 2.865 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.466 -11.921 4.334 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.783 -15.290 3.109 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.232 -13.208 6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.411 -17.047 4.908 1.00 0.00 H new ATOM 898 N ASN A 65 0.698 -9.769 2.510 1.00 0.00 N ATOM 899 CA ASN A 65 0.849 -8.482 1.841 1.00 0.00 C ATOM 900 C ASN A 65 1.852 -7.602 2.577 1.00 0.00 C ATOM 901 O ASN A 65 1.612 -7.179 3.707 1.00 0.00 O ATOM 902 CB ASN A 65 -0.500 -7.769 1.742 1.00 0.00 C ATOM 903 CG ASN A 65 -0.369 -6.358 1.203 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.458 -5.576 1.672 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.187 -6.026 0.213 1.00 0.00 N ATOM 0 H ASN A 65 -0.268 -10.074 2.626 1.00 0.00 H new ATOM 0 HA ASN A 65 1.225 -8.667 0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.164 -8.342 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.964 -7.737 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.146 -5.090 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.857 -6.707 -0.145 1.00 0.00 H new ATOM 912 N THR A 66 2.975 -7.329 1.925 1.00 0.00 N ATOM 913 CA THR A 66 4.020 -6.501 2.508 1.00 0.00 C ATOM 914 C THR A 66 4.029 -5.112 1.880 1.00 0.00 C ATOM 915 O THR A 66 3.152 -4.775 1.085 1.00 0.00 O ATOM 916 CB THR A 66 5.408 -7.144 2.331 1.00 0.00 C ATOM 917 OG1 THR A 66 5.968 -6.764 1.069 1.00 0.00 O ATOM 918 CG2 THR A 66 5.314 -8.661 2.415 1.00 0.00 C ATOM 0 H THR A 66 3.185 -7.671 0.987 1.00 0.00 H new ATOM 0 HA THR A 66 3.803 -6.414 3.573 1.00 0.00 H new ATOM 0 HB THR A 66 6.054 -6.790 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.851 -7.176 0.966 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.306 -9.095 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.915 -8.948 3.388 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.653 -9.029 1.630 1.00 0.00 H new ATOM 926 N GLU A 67 5.023 -4.310 2.244 1.00 0.00 N ATOM 927 CA GLU A 67 5.140 -2.957 1.715 1.00 0.00 C ATOM 928 C GLU A 67 5.044 -2.953 0.192 1.00 0.00 C ATOM 929 O GLU A 67 3.948 -2.987 -0.367 1.00 0.00 O ATOM 930 CB GLU A 67 6.458 -2.325 2.168 1.00 0.00 C ATOM 931 CG GLU A 67 6.345 -1.550 3.471 1.00 0.00 C ATOM 932 CD GLU A 67 7.034 -2.249 4.627 1.00 0.00 C ATOM 933 OE1 GLU A 67 7.080 -3.497 4.624 1.00 0.00 O ATOM 934 OE2 GLU A 67 7.529 -1.548 5.534 1.00 0.00 O ATOM 0 H GLU A 67 5.757 -4.572 2.901 1.00 0.00 H new ATOM 0 HA GLU A 67 4.312 -2.366 2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.206 -3.109 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.818 -1.655 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.780 -0.559 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.292 -1.406 3.714 1.00 0.00 H new ATOM 941 N GLY A 68 6.191 -2.915 -0.481 1.00 0.00 N ATOM 942 CA GLY A 68 6.194 -2.909 -1.931 1.00 0.00 C ATOM 943 C GLY A 68 6.209 -4.306 -2.514 1.00 0.00 C ATOM 944 O GLY A 68 7.109 -4.658 -3.276 1.00 0.00 O ATOM 0 H GLY A 68 7.114 -2.888 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.313 -2.377 -2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.066 -2.360 -2.288 1.00 0.00 H new ATOM 948 N SER A 69 5.208 -5.100 -2.153 1.00 0.00 N ATOM 949 CA SER A 69 5.095 -6.471 -2.634 1.00 0.00 C ATOM 950 C SER A 69 4.251 -7.308 -1.680 1.00 0.00 C ATOM 951 O SER A 69 3.677 -6.785 -0.725 1.00 0.00 O ATOM 952 CB SER A 69 6.482 -7.098 -2.790 1.00 0.00 C ATOM 953 OG SER A 69 6.398 -8.507 -2.913 1.00 0.00 O ATOM 0 H SER A 69 4.458 -4.815 -1.524 1.00 0.00 H new ATOM 0 HA SER A 69 4.605 -6.450 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.975 -6.683 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.098 -6.842 -1.928 1.00 0.00 H new ATOM 0 HG SER A 69 6.122 -8.740 -3.824 1.00 0.00 H new ATOM 959 N TYR A 70 4.178 -8.608 -1.941 1.00 0.00 N ATOM 960 CA TYR A 70 3.402 -9.509 -1.099 1.00 0.00 C ATOM 961 C TYR A 70 4.021 -10.900 -1.064 1.00 0.00 C ATOM 962 O TYR A 70 4.656 -11.333 -2.025 1.00 0.00 O ATOM 963 CB TYR A 70 1.956 -9.578 -1.591 1.00 0.00 C ATOM 964 CG TYR A 70 1.731 -10.573 -2.706 1.00 0.00 C ATOM 965 CD1 TYR A 70 1.978 -10.228 -4.028 1.00 0.00 C ATOM 966 CD2 TYR A 70 1.263 -11.852 -2.437 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.767 -11.131 -5.052 1.00 0.00 C ATOM 968 CE2 TYR A 70 1.051 -12.762 -3.455 1.00 0.00 C ATOM 969 CZ TYR A 70 1.303 -12.396 -4.760 1.00 0.00 C ATOM 970 OH TYR A 70 1.092 -13.300 -5.777 1.00 0.00 O ATOM 0 H TYR A 70 4.645 -9.060 -2.727 1.00 0.00 H new ATOM 0 HA TYR A 70 3.410 -9.115 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.310 -9.836 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.653 -8.589 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.341 -9.238 -4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.061 -12.140 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.964 -10.848 -6.075 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.690 -13.755 -3.230 1.00 0.00 H new ATOM 0 HH TYR A 70 1.000 -14.200 -5.401 1.00 0.00 H new ATOM 980 N ARG A 71 3.835 -11.592 0.053 1.00 0.00 N ATOM 981 CA ARG A 71 4.380 -12.934 0.219 1.00 0.00 C ATOM 982 C ARG A 71 3.267 -13.969 0.309 1.00 0.00 C ATOM 983 O ARG A 71 2.445 -13.936 1.224 1.00 0.00 O ATOM 984 CB ARG A 71 5.258 -13.007 1.472 1.00 0.00 C ATOM 985 CG ARG A 71 5.579 -11.652 2.080 1.00 0.00 C ATOM 986 CD ARG A 71 6.761 -10.995 1.386 1.00 0.00 C ATOM 987 NE ARG A 71 7.826 -10.653 2.326 1.00 0.00 N ATOM 988 CZ ARG A 71 8.999 -10.149 1.958 1.00 0.00 C ATOM 989 NH1 ARG A 71 9.258 -9.933 0.675 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.917 -9.864 2.871 1.00 0.00 N ATOM 0 H ARG A 71 3.311 -11.247 0.857 1.00 0.00 H new ATOM 0 HA ARG A 71 4.990 -13.155 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.756 -13.620 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.191 -13.512 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.706 -11.003 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.799 -11.771 3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.153 -11.667 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.426 -10.093 0.874 1.00 0.00 H new ATOM 0 HE ARG A 71 7.660 -10.810 3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.556 -10.154 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.159 -9.546 0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.724 -10.032 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.817 -9.477 2.586 1.00 0.00 H new ATOM 1004 N CYS A 72 3.251 -14.893 -0.645 1.00 0.00 N ATOM 1005 CA CYS A 72 2.245 -15.945 -0.672 1.00 0.00 C ATOM 1006 C CYS A 72 2.750 -17.181 0.068 1.00 0.00 C ATOM 1007 O CYS A 72 3.934 -17.511 0.007 1.00 0.00 O ATOM 1008 CB CYS A 72 1.884 -16.288 -2.121 1.00 0.00 C ATOM 1009 SG CYS A 72 0.125 -16.695 -2.392 1.00 0.00 S ATOM 0 H CYS A 72 3.924 -14.934 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 72 1.347 -15.590 -0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.150 -15.444 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.492 -17.133 -2.443 1.00 0.00 H new ATOM 1014 N GLU A 73 1.850 -17.849 0.786 1.00 0.00 N ATOM 1015 CA GLU A 73 2.216 -19.033 1.560 1.00 0.00 C ATOM 1016 C GLU A 73 1.187 -20.153 1.396 1.00 0.00 C ATOM 1017 O GLU A 73 0.005 -19.967 1.681 1.00 0.00 O ATOM 1018 CB GLU A 73 2.343 -18.652 3.036 1.00 0.00 C ATOM 1019 CG GLU A 73 3.578 -19.222 3.711 1.00 0.00 C ATOM 1020 CD GLU A 73 3.545 -19.066 5.218 1.00 0.00 C ATOM 1021 OE1 GLU A 73 2.496 -19.372 5.824 1.00 0.00 O ATOM 1022 OE2 GLU A 73 4.568 -18.637 5.793 1.00 0.00 O ATOM 0 H GLU A 73 0.865 -17.592 0.848 1.00 0.00 H new ATOM 0 HA GLU A 73 3.170 -19.405 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.363 -17.565 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.457 -18.998 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.668 -20.279 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.464 -18.724 3.318 1.00 0.00 H new ATOM 1029 N CYS A 74 1.647 -21.314 0.935 1.00 0.00 N ATOM 1030 CA CYS A 74 0.765 -22.456 0.733 1.00 0.00 C ATOM 1031 C CYS A 74 0.375 -23.123 2.059 1.00 0.00 C ATOM 1032 O CYS A 74 -0.739 -23.629 2.192 1.00 0.00 O ATOM 1033 CB CYS A 74 1.416 -23.480 -0.201 1.00 0.00 C ATOM 1034 SG CYS A 74 0.566 -23.687 -1.803 1.00 0.00 S ATOM 0 H CYS A 74 2.623 -21.486 0.695 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.148 -22.080 0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.447 -23.180 -0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.451 -24.445 0.305 1.00 0.00 H new ATOM 1039 N PRO A 75 1.288 -23.154 3.061 1.00 0.00 N ATOM 1040 CA PRO A 75 2.637 -22.569 2.969 1.00 0.00 C ATOM 1041 C PRO A 75 3.568 -23.384 2.075 1.00 0.00 C ATOM 1042 O PRO A 75 3.143 -24.335 1.422 1.00 0.00 O ATOM 1043 CB PRO A 75 3.147 -22.600 4.425 1.00 0.00 C ATOM 1044 CG PRO A 75 1.955 -22.943 5.258 1.00 0.00 C ATOM 1045 CD PRO A 75 1.057 -23.750 4.375 1.00 0.00 C ATOM 0 HA PRO A 75 2.611 -21.572 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.938 -23.340 4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.564 -21.636 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.246 -23.510 6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.451 -22.042 5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.316 -24.809 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.013 -23.672 4.678 1.00 0.00 H new ATOM 1053 N PRO A 76 4.864 -23.025 2.055 1.00 0.00 N ATOM 1054 CA PRO A 76 5.872 -23.725 1.256 1.00 0.00 C ATOM 1055 C PRO A 76 5.706 -25.240 1.282 1.00 0.00 C ATOM 1056 O PRO A 76 4.833 -25.774 1.965 1.00 0.00 O ATOM 1057 CB PRO A 76 7.179 -23.320 1.932 1.00 0.00 C ATOM 1058 CG PRO A 76 6.915 -21.952 2.461 1.00 0.00 C ATOM 1059 CD PRO A 76 5.452 -21.910 2.823 1.00 0.00 C ATOM 0 HA PRO A 76 5.810 -23.462 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.443 -24.011 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.008 -23.319 1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.537 -21.746 3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.152 -21.194 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.302 -22.040 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.000 -20.956 2.551 1.00 0.00 H new ATOM 1067 N GLY A 77 6.544 -25.928 0.517 1.00 0.00 N ATOM 1068 CA GLY A 77 6.461 -27.371 0.445 1.00 0.00 C ATOM 1069 C GLY A 77 5.558 -27.801 -0.690 1.00 0.00 C ATOM 1070 O GLY A 77 5.624 -28.935 -1.163 1.00 0.00 O ATOM 0 H GLY A 77 7.279 -25.511 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.457 -27.790 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.081 -27.765 1.387 1.00 0.00 H new ATOM 1074 N HIS A 78 4.721 -26.867 -1.131 1.00 0.00 N ATOM 1075 CA HIS A 78 3.795 -27.109 -2.226 1.00 0.00 C ATOM 1076 C HIS A 78 4.345 -26.481 -3.512 1.00 0.00 C ATOM 1077 O HIS A 78 5.491 -26.737 -3.882 1.00 0.00 O ATOM 1078 CB HIS A 78 2.416 -26.541 -1.871 1.00 0.00 C ATOM 1079 CG HIS A 78 1.294 -27.181 -2.629 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -0.016 -26.759 -2.533 1.00 0.00 N ATOM 1081 CD2 HIS A 78 1.290 -28.219 -3.499 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -0.775 -27.511 -3.311 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.008 -28.403 -3.907 1.00 0.00 N ATOM 0 H HIS A 78 4.667 -25.926 -0.740 1.00 0.00 H new ATOM 0 HA HIS A 78 3.686 -28.181 -2.391 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.243 -26.670 -0.803 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.412 -25.469 -2.067 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -0.347 -25.988 -1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.148 -28.795 -3.813 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -1.843 -27.412 -3.437 1.00 0.00 H new ATOM 1092 N GLN A 79 3.550 -25.651 -4.187 1.00 0.00 N ATOM 1093 CA GLN A 79 4.003 -24.999 -5.408 1.00 0.00 C ATOM 1094 C GLN A 79 3.292 -23.666 -5.577 1.00 0.00 C ATOM 1095 O GLN A 79 2.508 -23.477 -6.506 1.00 0.00 O ATOM 1096 CB GLN A 79 3.762 -25.897 -6.624 1.00 0.00 C ATOM 1097 CG GLN A 79 4.151 -25.252 -7.944 1.00 0.00 C ATOM 1098 CD GLN A 79 3.462 -25.893 -9.133 1.00 0.00 C ATOM 1099 OE1 GLN A 79 2.954 -27.010 -9.042 1.00 0.00 O ATOM 1100 NE2 GLN A 79 3.441 -25.186 -10.256 1.00 0.00 N ATOM 0 H GLN A 79 2.597 -25.418 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 79 5.075 -24.819 -5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.327 -26.821 -6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.707 -26.171 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.902 -24.191 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.231 -25.322 -8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.875 -24.263 -10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.991 -25.565 -11.089 1.00 0.00 H new ATOM 1109 N LEU A 80 3.556 -22.751 -4.654 1.00 0.00 N ATOM 1110 CA LEU A 80 2.928 -21.441 -4.682 1.00 0.00 C ATOM 1111 C LEU A 80 3.755 -20.441 -5.476 1.00 0.00 C ATOM 1112 O LEU A 80 4.953 -20.280 -5.245 1.00 0.00 O ATOM 1113 CB LEU A 80 2.715 -20.931 -3.257 1.00 0.00 C ATOM 1114 CG LEU A 80 2.156 -19.509 -3.132 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.411 -19.092 -4.393 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.242 -19.408 -1.922 1.00 0.00 C ATOM 0 H LEU A 80 4.201 -22.894 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 80 1.963 -21.544 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.037 -21.614 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.668 -20.974 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 80 2.997 -18.828 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.028 -18.079 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.091 -19.122 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.580 -19.776 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.852 -18.393 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.414 -20.108 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.804 -19.650 -1.020 1.00 0.00 H new ATOM 1128 N SER A 81 3.096 -19.764 -6.405 1.00 0.00 N ATOM 1129 CA SER A 81 3.750 -18.765 -7.234 1.00 0.00 C ATOM 1130 C SER A 81 4.357 -17.665 -6.369 1.00 0.00 C ATOM 1131 O SER A 81 3.716 -17.164 -5.446 1.00 0.00 O ATOM 1132 CB SER A 81 2.740 -18.166 -8.213 1.00 0.00 C ATOM 1133 OG SER A 81 1.460 -18.750 -8.044 1.00 0.00 O ATOM 0 H SER A 81 2.103 -19.890 -6.603 1.00 0.00 H new ATOM 0 HA SER A 81 4.553 -19.245 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.675 -17.089 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.083 -18.323 -9.236 1.00 0.00 H new ATOM 0 HG SER A 81 0.925 -18.604 -8.852 1.00 0.00 H new ATOM 1139 N PRO A 82 5.608 -17.274 -6.657 1.00 0.00 N ATOM 1140 CA PRO A 82 6.302 -16.227 -5.901 1.00 0.00 C ATOM 1141 C PRO A 82 5.513 -14.925 -5.876 1.00 0.00 C ATOM 1142 O PRO A 82 5.285 -14.340 -4.817 1.00 0.00 O ATOM 1143 CB PRO A 82 7.617 -16.041 -6.663 1.00 0.00 C ATOM 1144 CG PRO A 82 7.815 -17.320 -7.403 1.00 0.00 C ATOM 1145 CD PRO A 82 6.439 -17.819 -7.742 1.00 0.00 C ATOM 0 HA PRO A 82 6.441 -16.502 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.561 -15.194 -7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.445 -15.847 -5.981 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.406 -17.161 -8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.354 -18.045 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.111 -17.463 -8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.401 -18.908 -7.770 1.00 0.00 H new ATOM 1153 N ASN A 83 5.095 -14.481 -7.056 1.00 0.00 N ATOM 1154 CA ASN A 83 4.324 -13.252 -7.186 1.00 0.00 C ATOM 1155 C ASN A 83 3.336 -13.363 -8.341 1.00 0.00 C ATOM 1156 O ASN A 83 2.972 -12.364 -8.960 1.00 0.00 O ATOM 1157 CB ASN A 83 5.254 -12.058 -7.403 1.00 0.00 C ATOM 1158 CG ASN A 83 5.860 -11.559 -6.107 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.069 -11.346 -6.016 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.021 -11.370 -5.095 1.00 0.00 N ATOM 0 H ASN A 83 5.279 -14.957 -7.939 1.00 0.00 H new ATOM 0 HA ASN A 83 3.766 -13.097 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.052 -12.342 -8.089 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.698 -11.249 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.372 -11.035 -4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.026 -11.559 -5.215 1.00 0.00 H new ATOM 1167 N ILE A 84 2.905 -14.588 -8.622 1.00 0.00 N ATOM 1168 CA ILE A 84 1.955 -14.836 -9.699 1.00 0.00 C ATOM 1169 C ILE A 84 0.536 -14.919 -9.152 1.00 0.00 C ATOM 1170 O ILE A 84 -0.434 -14.676 -9.869 1.00 0.00 O ATOM 1171 CB ILE A 84 2.285 -16.132 -10.463 1.00 0.00 C ATOM 1172 CG1 ILE A 84 3.798 -16.370 -10.481 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.738 -16.063 -11.881 1.00 0.00 C ATOM 1174 CD1 ILE A 84 4.608 -15.102 -10.618 1.00 0.00 C ATOM 0 H ILE A 84 3.199 -15.425 -8.118 1.00 0.00 H new ATOM 0 HA ILE A 84 2.031 -13.999 -10.393 1.00 0.00 H new ATOM 0 HB ILE A 84 1.811 -16.969 -9.951 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.088 -16.879 -9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.042 -17.038 -11.307 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.979 -16.986 -12.409 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.656 -15.936 -11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.187 -15.218 -12.403 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.670 -15.347 -10.623 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.346 -14.602 -11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.393 -14.440 -9.779 1.00 0.00 H new ATOM 1186 N SER A 85 0.428 -15.247 -7.867 1.00 0.00 N ATOM 1187 CA SER A 85 -0.866 -15.342 -7.203 1.00 0.00 C ATOM 1188 C SER A 85 -1.625 -16.610 -7.598 1.00 0.00 C ATOM 1189 O SER A 85 -2.402 -16.601 -8.552 1.00 0.00 O ATOM 1190 CB SER A 85 -1.706 -14.102 -7.528 1.00 0.00 C ATOM 1191 OG SER A 85 -3.007 -14.458 -7.962 1.00 0.00 O ATOM 0 H SER A 85 1.225 -15.452 -7.264 1.00 0.00 H new ATOM 0 HA SER A 85 -0.685 -15.395 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.776 -13.467 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.210 -13.517 -8.303 1.00 0.00 H new ATOM 0 HG SER A 85 -2.941 -15.077 -8.719 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.407 -17.694 -6.842 1.00 0.00 N ATOM 1198 CA ALA A 86 -2.087 -18.969 -7.098 1.00 0.00 C ATOM 1199 C ALA A 86 -1.256 -20.166 -6.638 1.00 0.00 C ATOM 1200 O ALA A 86 -0.358 -20.616 -7.348 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.419 -19.117 -8.575 1.00 0.00 C ATOM 0 H ALA A 86 -0.766 -17.713 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.010 -18.955 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.923 -20.069 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.073 -18.302 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.499 -19.086 -9.159 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.575 -20.692 -5.456 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.868 -21.852 -4.924 1.00 0.00 C ATOM 1209 C CYS A 87 -0.977 -23.028 -5.889 1.00 0.00 C ATOM 1210 O CYS A 87 -1.899 -23.084 -6.703 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.449 -22.249 -3.565 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.346 -21.908 -2.156 1.00 0.00 S ATOM 0 H CYS A 87 -2.315 -20.334 -4.852 1.00 0.00 H new ATOM 0 HA CYS A 87 0.182 -21.588 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.388 -21.717 -3.414 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.684 -23.313 -3.579 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.041 -23.970 -5.801 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.061 -25.133 -6.678 1.00 0.00 C ATOM 1219 C ILE A 88 0.509 -26.361 -5.976 1.00 0.00 C ATOM 1220 O ILE A 88 0.110 -27.488 -6.338 1.00 0.00 O ATOM 1221 CB ILE A 88 0.730 -24.878 -7.976 1.00 0.00 C ATOM 1222 CG1 ILE A 88 0.472 -23.459 -8.486 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.355 -25.903 -9.035 1.00 0.00 C ATOM 1224 CD1 ILE A 88 0.784 -23.279 -9.956 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.349 -26.185 -5.069 1.00 0.00 O ATOM 0 H ILE A 88 0.733 -23.950 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.105 -25.317 -6.933 1.00 0.00 H new ATOM 0 HB ILE A 88 1.794 -24.979 -7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.573 -23.203 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.073 -22.758 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.922 -25.709 -9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.585 -26.904 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.711 -25.831 -9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.578 -22.249 -10.248 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.836 -23.503 -10.135 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.164 -23.955 -10.545 1.00 0.00 H new TER 1237 ILE A 88 HETATM 1238 CA CA A 101 -1.580 20.400 -12.102 1.00 0.00 CA HETATM 1239 CA CA A 102 1.099 -4.082 -0.359 1.00 0.00 CA