USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 CYS SG : rot -156:sc= 1.68 USER MOD Set 1.2: A 43 CYS SG : rot -96:sc= -1.54 USER MOD Set 1.3: A 70 CYS SG : rot -81:sc= 1.6 USER MOD Set 1.4: A 73 CYS SG : rot -30:sc= -1.46 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0.0481 USER MOD Set 2.2: A 34 THR OG1 : rot -31:sc= 0.041 USER MOD Set 3.1: A 24 CYS SG : rot -149:sc= -0.53 USER MOD Set 3.2: A 27 CYS SG : rot 180:sc= -0.915 USER MOD Set 3.3: A 29 CYS SG : rot -98:sc= -1.16! USER MOD Set 3.4: A 48 CYS SG : rot -149:sc= 0.426 USER MOD Set 3.5: A 51 CYS SG : rot 104:sc= 1.58 USER MOD Set 4.1: A 16 GLN : amide:sc= -6.24! C(o=-7.8!,f=-13!) USER MOD Set 4.2: A 25 ASN : amide:sc= -1.52! C(o=-7.8!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -159:sc= 0 (180deg=-0.0537) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 162:sc= -0.0297 (180deg=-0.354) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.228 X(o=-0.23,f=-0.43) USER MOD Single : A 39 HIS : no HD1:sc= -0.781! C(o=-0.78!,f=-6.6!) USER MOD Single : A 42 ASN : amide:sc= -20.2! C(o=-20!,f=-23!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -78:sc= 1.17 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -165:sc= -0.0525 (180deg=-0.372) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 105:sc= 1.08 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.242 K(o=-0.24,f=-5.1!) USER MOD Single : A 82 MET CE :methyl -165:sc= -0.13 (180deg=-0.519) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.633 16.050 3.450 1.00 0.00 N ATOM 2 CA GLY A 1 22.325 15.558 2.079 1.00 0.00 C ATOM 3 C GLY A 1 20.988 14.848 2.002 1.00 0.00 C ATOM 4 O GLY A 1 20.937 13.621 1.923 1.00 0.00 O ATOM 0 H1 GLY A 1 23.343 16.808 3.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.766 16.419 3.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.006 15.267 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.326 16.399 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.113 14.878 1.755 1.00 0.00 H new ATOM 10 N PRO A 2 19.878 15.602 2.020 1.00 0.00 N ATOM 11 CA PRO A 2 18.529 15.030 1.948 1.00 0.00 C ATOM 12 C PRO A 2 18.310 14.239 0.664 1.00 0.00 C ATOM 13 O PRO A 2 18.863 14.572 -0.383 1.00 0.00 O ATOM 14 CB PRO A 2 17.608 16.257 1.987 1.00 0.00 C ATOM 15 CG PRO A 2 18.474 17.409 1.609 1.00 0.00 C ATOM 16 CD PRO A 2 19.851 17.070 2.105 1.00 0.00 C ATOM 0 HA PRO A 2 18.344 14.324 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 2 16.775 16.146 1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.179 16.396 2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.474 17.560 0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.113 18.333 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.626 17.525 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.010 17.419 3.125 1.00 0.00 H new ATOM 24 N LEU A 3 17.499 13.189 0.750 1.00 0.00 N ATOM 25 CA LEU A 3 17.213 12.354 -0.411 1.00 0.00 C ATOM 26 C LEU A 3 16.128 12.990 -1.275 1.00 0.00 C ATOM 27 O LEU A 3 15.130 13.496 -0.763 1.00 0.00 O ATOM 28 CB LEU A 3 16.776 10.956 0.032 1.00 0.00 C ATOM 29 CG LEU A 3 17.735 10.248 0.992 1.00 0.00 C ATOM 30 CD1 LEU A 3 17.247 8.840 1.292 1.00 0.00 C ATOM 31 CD2 LEU A 3 19.142 10.215 0.413 1.00 0.00 C ATOM 0 H LEU A 3 17.030 12.897 1.608 1.00 0.00 H new ATOM 0 HA LEU A 3 18.125 12.268 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.799 11.032 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.650 10.334 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 3 17.762 10.808 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.941 8.352 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.259 8.887 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.190 8.269 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 3 19.810 9.708 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.132 9.679 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 3 19.493 11.234 0.251 1.00 0.00 H new ATOM 43 N GLY A 4 16.332 12.961 -2.587 1.00 0.00 N ATOM 44 CA GLY A 4 15.364 13.539 -3.502 1.00 0.00 C ATOM 45 C GLY A 4 14.803 12.520 -4.473 1.00 0.00 C ATOM 46 O GLY A 4 15.552 11.863 -5.194 1.00 0.00 O ATOM 0 H GLY A 4 17.150 12.548 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.547 13.980 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.835 14.348 -4.061 1.00 0.00 H new ATOM 50 N SER A 5 13.482 12.389 -4.492 1.00 0.00 N ATOM 51 CA SER A 5 12.824 11.442 -5.385 1.00 0.00 C ATOM 52 C SER A 5 11.822 12.155 -6.288 1.00 0.00 C ATOM 53 O SER A 5 11.182 13.123 -5.878 1.00 0.00 O ATOM 54 CB SER A 5 12.115 10.352 -4.578 1.00 0.00 C ATOM 55 OG SER A 5 13.026 9.668 -3.735 1.00 0.00 O ATOM 0 H SER A 5 12.846 12.925 -3.901 1.00 0.00 H new ATOM 0 HA SER A 5 13.588 10.980 -6.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.323 10.798 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.640 9.643 -5.257 1.00 0.00 H new ATOM 0 HG SER A 5 12.548 8.978 -3.229 1.00 0.00 H new ATOM 61 N MET A 6 11.690 11.668 -7.518 1.00 0.00 N ATOM 62 CA MET A 6 10.764 12.256 -8.478 1.00 0.00 C ATOM 63 C MET A 6 9.945 11.174 -9.174 1.00 0.00 C ATOM 64 O MET A 6 10.295 9.995 -9.131 1.00 0.00 O ATOM 65 CB MET A 6 11.523 13.086 -9.516 1.00 0.00 C ATOM 66 CG MET A 6 12.244 14.287 -8.925 1.00 0.00 C ATOM 67 SD MET A 6 12.947 15.364 -10.190 1.00 0.00 S ATOM 68 CE MET A 6 11.463 16.102 -10.869 1.00 0.00 C ATOM 0 H MET A 6 12.213 10.867 -7.873 1.00 0.00 H new ATOM 0 HA MET A 6 10.083 12.910 -7.933 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.250 12.448 -10.019 1.00 0.00 H new ATOM 0 HB3 MET A 6 10.822 13.431 -10.276 1.00 0.00 H new ATOM 0 HG2 MET A 6 11.548 14.859 -8.312 1.00 0.00 H new ATOM 0 HG3 MET A 6 13.039 13.940 -8.265 1.00 0.00 H new ATOM 0 HE1 MET A 6 11.725 17.004 -11.422 1.00 0.00 H new ATOM 0 HE2 MET A 6 10.979 15.393 -11.541 1.00 0.00 H new ATOM 0 HE3 MET A 6 10.781 16.358 -10.059 1.00 0.00 H new ATOM 78 N GLY A 7 8.854 11.581 -9.814 1.00 0.00 N ATOM 79 CA GLY A 7 8.007 10.630 -10.510 1.00 0.00 C ATOM 80 C GLY A 7 7.102 9.860 -9.569 1.00 0.00 C ATOM 81 O GLY A 7 6.896 8.658 -9.740 1.00 0.00 O ATOM 0 H GLY A 7 8.541 12.551 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.398 11.159 -11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.632 9.929 -11.063 1.00 0.00 H new ATOM 85 N GLU A 8 6.560 10.552 -8.572 1.00 0.00 N ATOM 86 CA GLU A 8 5.671 9.925 -7.600 1.00 0.00 C ATOM 87 C GLU A 8 4.248 9.824 -8.137 1.00 0.00 C ATOM 88 O GLU A 8 3.333 9.425 -7.418 1.00 0.00 O ATOM 89 CB GLU A 8 5.687 10.702 -6.283 1.00 0.00 C ATOM 90 CG GLU A 8 7.052 10.737 -5.617 1.00 0.00 C ATOM 91 CD GLU A 8 7.948 11.822 -6.182 1.00 0.00 C ATOM 92 OE1 GLU A 8 7.461 12.629 -7.002 1.00 0.00 O ATOM 93 OE2 GLU A 8 9.138 11.864 -5.805 1.00 0.00 O ATOM 0 H GLU A 8 6.721 11.547 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 8 6.035 8.914 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.356 11.724 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.968 10.254 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.926 10.896 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.538 9.769 -5.740 1.00 0.00 H new ATOM 100 N LYS A 9 4.070 10.159 -9.410 1.00 0.00 N ATOM 101 CA LYS A 9 2.761 10.073 -10.036 1.00 0.00 C ATOM 102 C LYS A 9 2.251 8.640 -9.951 1.00 0.00 C ATOM 103 O LYS A 9 1.060 8.376 -10.116 1.00 0.00 O ATOM 104 CB LYS A 9 2.837 10.523 -11.496 1.00 0.00 C ATOM 105 CG LYS A 9 1.482 10.617 -12.177 1.00 0.00 C ATOM 106 CD LYS A 9 1.620 11.036 -13.631 1.00 0.00 C ATOM 107 CE LYS A 9 0.263 11.238 -14.284 1.00 0.00 C ATOM 108 NZ LYS A 9 -0.060 10.144 -15.241 1.00 0.00 N ATOM 0 H LYS A 9 4.814 10.491 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 9 2.070 10.732 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.325 11.496 -11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.465 9.825 -12.050 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.977 9.652 -12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.856 11.335 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.195 11.960 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.179 10.277 -14.178 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.507 11.286 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.251 12.194 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.993 10.318 -15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.661 10.114 -15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.073 9.234 -14.737 1.00 0.00 H new ATOM 122 N GLN A 10 3.173 7.719 -9.680 1.00 0.00 N ATOM 123 CA GLN A 10 2.846 6.306 -9.556 1.00 0.00 C ATOM 124 C GLN A 10 1.719 6.094 -8.546 1.00 0.00 C ATOM 125 O GLN A 10 1.637 6.794 -7.537 1.00 0.00 O ATOM 126 CB GLN A 10 4.093 5.533 -9.125 1.00 0.00 C ATOM 127 CG GLN A 10 3.851 4.049 -8.897 1.00 0.00 C ATOM 128 CD GLN A 10 5.112 3.313 -8.488 1.00 0.00 C ATOM 129 OE1 GLN A 10 6.210 3.868 -8.535 1.00 0.00 O ATOM 130 NE2 GLN A 10 4.961 2.058 -8.084 1.00 0.00 N ATOM 0 H GLN A 10 4.161 7.932 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 10 2.505 5.938 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.864 5.652 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.482 5.973 -8.207 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.093 3.922 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.454 3.604 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.032 1.638 -8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.774 1.513 -7.796 1.00 0.00 H new ATOM 139 N SER A 11 0.852 5.126 -8.828 1.00 0.00 N ATOM 140 CA SER A 11 -0.272 4.824 -7.947 1.00 0.00 C ATOM 141 C SER A 11 0.217 4.401 -6.566 1.00 0.00 C ATOM 142 O SER A 11 1.348 3.942 -6.411 1.00 0.00 O ATOM 143 CB SER A 11 -1.143 3.721 -8.551 1.00 0.00 C ATOM 144 OG SER A 11 -1.607 4.085 -9.840 1.00 0.00 O ATOM 0 H SER A 11 0.906 4.537 -9.659 1.00 0.00 H new ATOM 0 HA SER A 11 -0.869 5.730 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.571 2.796 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.993 3.525 -7.897 1.00 0.00 H new ATOM 0 HG SER A 11 -2.160 3.363 -10.205 1.00 0.00 H new ATOM 150 N LYS A 12 -0.643 4.561 -5.565 1.00 0.00 N ATOM 151 CA LYS A 12 -0.299 4.198 -4.195 1.00 0.00 C ATOM 152 C LYS A 12 0.126 2.736 -4.109 1.00 0.00 C ATOM 153 O LYS A 12 0.964 2.373 -3.284 1.00 0.00 O ATOM 154 CB LYS A 12 -1.485 4.456 -3.263 1.00 0.00 C ATOM 155 CG LYS A 12 -1.877 5.921 -3.170 1.00 0.00 C ATOM 156 CD LYS A 12 -2.899 6.155 -2.071 1.00 0.00 C ATOM 157 CE LYS A 12 -4.212 5.452 -2.370 1.00 0.00 C ATOM 158 NZ LYS A 12 -5.354 6.082 -1.652 1.00 0.00 N ATOM 0 H LYS A 12 -1.583 4.940 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 12 0.540 4.818 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.342 3.880 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.239 4.090 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.990 6.525 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.286 6.251 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.502 5.797 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.076 7.225 -1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.400 5.475 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.136 4.403 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.232 5.574 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.187 6.037 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.443 7.076 -1.945 1.00 0.00 H new ATOM 172 N GLY A 13 -0.456 1.900 -4.963 1.00 0.00 N ATOM 173 CA GLY A 13 -0.118 0.488 -4.959 1.00 0.00 C ATOM 174 C GLY A 13 -0.702 -0.259 -6.143 1.00 0.00 C ATOM 175 O GLY A 13 -1.845 -0.713 -6.096 1.00 0.00 O ATOM 0 H GLY A 13 -1.153 2.173 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.966 0.379 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.479 0.035 -4.036 1.00 0.00 H new ATOM 179 N TYR A 14 0.088 -0.396 -7.203 1.00 0.00 N ATOM 180 CA TYR A 14 -0.363 -1.104 -8.395 1.00 0.00 C ATOM 181 C TYR A 14 -0.275 -2.608 -8.181 1.00 0.00 C ATOM 182 O TYR A 14 0.790 -3.140 -7.872 1.00 0.00 O ATOM 183 CB TYR A 14 0.473 -0.701 -9.608 1.00 0.00 C ATOM 184 CG TYR A 14 -0.011 -1.308 -10.905 1.00 0.00 C ATOM 185 CD1 TYR A 14 -1.010 -0.695 -11.651 1.00 0.00 C ATOM 186 CD2 TYR A 14 0.530 -2.494 -11.384 1.00 0.00 C ATOM 187 CE1 TYR A 14 -1.456 -1.245 -12.838 1.00 0.00 C ATOM 188 CE2 TYR A 14 0.089 -3.052 -12.571 1.00 0.00 C ATOM 189 CZ TYR A 14 -0.902 -2.423 -13.293 1.00 0.00 C ATOM 190 OH TYR A 14 -1.342 -2.975 -14.475 1.00 0.00 O ATOM 0 H TYR A 14 1.038 -0.029 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.402 -0.833 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.465 0.385 -9.700 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.508 -0.999 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.446 0.228 -11.297 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.308 -2.989 -10.821 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.233 -0.755 -13.406 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.519 -3.975 -12.930 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.849 -3.803 -14.653 1.00 0.00 H new ATOM 200 N TRP A 15 -1.400 -3.286 -8.345 1.00 0.00 N ATOM 201 CA TRP A 15 -1.452 -4.733 -8.170 1.00 0.00 C ATOM 202 C TRP A 15 -1.212 -5.452 -9.492 1.00 0.00 C ATOM 203 O TRP A 15 -1.992 -5.318 -10.434 1.00 0.00 O ATOM 204 CB TRP A 15 -2.806 -5.147 -7.594 1.00 0.00 C ATOM 205 CG TRP A 15 -3.967 -4.704 -8.431 1.00 0.00 C ATOM 206 CD1 TRP A 15 -4.639 -5.448 -9.359 1.00 0.00 C ATOM 207 CD2 TRP A 15 -4.593 -3.415 -8.418 1.00 0.00 C ATOM 208 NE1 TRP A 15 -5.645 -4.700 -9.923 1.00 0.00 N ATOM 209 CE2 TRP A 15 -5.637 -3.449 -9.363 1.00 0.00 C ATOM 210 CE3 TRP A 15 -4.373 -2.235 -7.700 1.00 0.00 C ATOM 211 CZ2 TRP A 15 -6.458 -2.350 -9.606 1.00 0.00 C ATOM 212 CZ3 TRP A 15 -5.189 -1.146 -7.943 1.00 0.00 C ATOM 213 CH2 TRP A 15 -6.220 -1.210 -8.888 1.00 0.00 C ATOM 0 H TRP A 15 -2.291 -2.859 -8.599 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.663 -5.017 -7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.833 -6.232 -7.492 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.909 -4.730 -6.592 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.413 -6.473 -9.612 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.292 -5.023 -10.642 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.580 -2.176 -6.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.254 -2.396 -10.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.028 -0.230 -7.394 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.840 -0.342 -9.054 1.00 0.00 H new ATOM 224 N GLN A 16 -0.137 -6.234 -9.550 1.00 0.00 N ATOM 225 CA GLN A 16 0.195 -6.996 -10.747 1.00 0.00 C ATOM 226 C GLN A 16 -0.579 -8.314 -10.755 1.00 0.00 C ATOM 227 O GLN A 16 -0.593 -9.050 -9.770 1.00 0.00 O ATOM 228 CB GLN A 16 1.701 -7.252 -10.822 1.00 0.00 C ATOM 229 CG GLN A 16 2.147 -7.881 -12.129 1.00 0.00 C ATOM 230 CD GLN A 16 3.622 -8.233 -12.130 1.00 0.00 C ATOM 231 OE1 GLN A 16 4.057 -9.135 -11.414 1.00 0.00 O ATOM 232 NE2 GLN A 16 4.400 -7.517 -12.932 1.00 0.00 N ATOM 0 H GLN A 16 0.520 -6.356 -8.779 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.092 -6.416 -11.624 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.229 -6.308 -10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.992 -7.903 -9.998 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.562 -8.782 -12.313 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.940 -7.193 -12.949 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.996 -6.779 -13.508 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.402 -7.705 -12.972 1.00 0.00 H new ATOM 241 N GLU A 17 -1.255 -8.575 -11.871 1.00 0.00 N ATOM 242 CA GLU A 17 -2.081 -9.770 -12.030 1.00 0.00 C ATOM 243 C GLU A 17 -1.301 -11.070 -11.844 1.00 0.00 C ATOM 244 O GLU A 17 -0.091 -11.128 -12.064 1.00 0.00 O ATOM 245 CB GLU A 17 -2.751 -9.766 -13.405 1.00 0.00 C ATOM 246 CG GLU A 17 -3.676 -8.581 -13.623 1.00 0.00 C ATOM 247 CD GLU A 17 -4.391 -8.635 -14.959 1.00 0.00 C ATOM 248 OE1 GLU A 17 -4.051 -9.513 -15.779 1.00 0.00 O ATOM 249 OE2 GLU A 17 -5.292 -7.799 -15.185 1.00 0.00 O ATOM 0 H GLU A 17 -1.246 -7.966 -12.689 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.833 -9.734 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.981 -9.763 -14.176 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.319 -10.688 -13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.414 -8.549 -12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.099 -7.658 -13.561 1.00 0.00 H new ATOM 256 N ASP A 18 -2.029 -12.113 -11.453 1.00 0.00 N ATOM 257 CA ASP A 18 -1.457 -13.439 -11.248 1.00 0.00 C ATOM 258 C ASP A 18 -0.771 -13.954 -12.509 1.00 0.00 C ATOM 259 O ASP A 18 0.317 -14.525 -12.445 1.00 0.00 O ATOM 260 CB ASP A 18 -2.563 -14.414 -10.837 1.00 0.00 C ATOM 261 CG ASP A 18 -3.715 -14.447 -11.824 1.00 0.00 C ATOM 262 OD1 ASP A 18 -3.709 -13.637 -12.775 1.00 0.00 O ATOM 263 OD2 ASP A 18 -4.625 -15.284 -11.645 1.00 0.00 O ATOM 0 H ASP A 18 -3.031 -12.062 -11.270 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.707 -13.365 -10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.142 -15.415 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.941 -14.134 -9.854 1.00 0.00 H new ATOM 268 N GLU A 19 -1.423 -13.774 -13.648 1.00 0.00 N ATOM 269 CA GLU A 19 -0.883 -14.247 -14.918 1.00 0.00 C ATOM 270 C GLU A 19 0.394 -13.510 -15.300 1.00 0.00 C ATOM 271 O GLU A 19 1.353 -14.119 -15.774 1.00 0.00 O ATOM 272 CB GLU A 19 -1.922 -14.081 -16.027 1.00 0.00 C ATOM 273 CG GLU A 19 -3.146 -14.964 -15.851 1.00 0.00 C ATOM 274 CD GLU A 19 -4.127 -14.834 -17.000 1.00 0.00 C ATOM 275 OE1 GLU A 19 -3.929 -13.939 -17.849 1.00 0.00 O ATOM 276 OE2 GLU A 19 -5.090 -15.626 -17.053 1.00 0.00 O ATOM 0 H GLU A 19 -2.326 -13.305 -13.721 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.640 -15.302 -14.796 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.239 -13.039 -16.064 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.456 -14.307 -16.986 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.830 -16.004 -15.763 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.647 -14.703 -14.919 1.00 0.00 H new ATOM 283 N ASP A 20 0.404 -12.204 -15.090 1.00 0.00 N ATOM 284 CA ASP A 20 1.572 -11.395 -15.413 1.00 0.00 C ATOM 285 C ASP A 20 2.741 -11.736 -14.492 1.00 0.00 C ATOM 286 O ASP A 20 3.903 -11.680 -14.892 1.00 0.00 O ATOM 287 CB ASP A 20 1.239 -9.907 -15.308 1.00 0.00 C ATOM 288 CG ASP A 20 0.209 -9.473 -16.333 1.00 0.00 C ATOM 289 OD1 ASP A 20 -0.025 -10.232 -17.296 1.00 0.00 O ATOM 290 OD2 ASP A 20 -0.363 -8.374 -16.170 1.00 0.00 O ATOM 0 H ASP A 20 -0.380 -11.681 -14.699 1.00 0.00 H new ATOM 0 HA ASP A 20 1.863 -11.619 -16.439 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.866 -9.690 -14.307 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.150 -9.323 -15.442 1.00 0.00 H new ATOM 295 N ALA A 21 2.411 -12.097 -13.256 1.00 0.00 N ATOM 296 CA ALA A 21 3.416 -12.459 -12.264 1.00 0.00 C ATOM 297 C ALA A 21 3.341 -13.949 -11.935 1.00 0.00 C ATOM 298 O ALA A 21 2.901 -14.336 -10.853 1.00 0.00 O ATOM 299 CB ALA A 21 3.235 -11.628 -11.003 1.00 0.00 C ATOM 0 H ALA A 21 1.450 -12.147 -12.917 1.00 0.00 H new ATOM 0 HA ALA A 21 4.401 -12.252 -12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.992 -11.909 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.339 -10.571 -11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.244 -11.809 -10.587 1.00 0.00 H new ATOM 305 N PRO A 22 3.777 -14.801 -12.876 1.00 0.00 N ATOM 306 CA PRO A 22 3.769 -16.261 -12.703 1.00 0.00 C ATOM 307 C PRO A 22 4.812 -16.739 -11.699 1.00 0.00 C ATOM 308 O PRO A 22 4.762 -17.871 -11.220 1.00 0.00 O ATOM 309 CB PRO A 22 4.104 -16.778 -14.101 1.00 0.00 C ATOM 310 CG PRO A 22 4.891 -15.682 -14.729 1.00 0.00 C ATOM 311 CD PRO A 22 4.319 -14.402 -14.187 1.00 0.00 C ATOM 0 HA PRO A 22 2.817 -16.618 -12.311 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.680 -17.703 -14.054 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.200 -16.994 -14.671 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.949 -15.771 -14.484 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.811 -15.717 -15.816 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.082 -13.630 -14.089 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.542 -14.001 -14.838 1.00 0.00 H new ATOM 319 N ALA A 23 5.748 -15.857 -11.385 1.00 0.00 N ATOM 320 CA ALA A 23 6.806 -16.167 -10.431 1.00 0.00 C ATOM 321 C ALA A 23 7.009 -15.005 -9.467 1.00 0.00 C ATOM 322 O ALA A 23 6.635 -13.871 -9.769 1.00 0.00 O ATOM 323 CB ALA A 23 8.102 -16.487 -11.161 1.00 0.00 C ATOM 0 H ALA A 23 5.798 -14.917 -11.778 1.00 0.00 H new ATOM 0 HA ALA A 23 6.509 -17.044 -9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.882 -16.716 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.949 -17.347 -11.813 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.405 -15.627 -11.759 1.00 0.00 H new ATOM 329 N CYS A 24 7.580 -15.286 -8.299 1.00 0.00 N ATOM 330 CA CYS A 24 7.800 -14.255 -7.293 1.00 0.00 C ATOM 331 C CYS A 24 8.741 -13.168 -7.795 1.00 0.00 C ATOM 332 O CYS A 24 9.881 -13.436 -8.174 1.00 0.00 O ATOM 333 CB CYS A 24 8.363 -14.877 -6.017 1.00 0.00 C ATOM 334 SG CYS A 24 8.252 -13.803 -4.570 1.00 0.00 S ATOM 0 H CYS A 24 7.897 -16.217 -8.028 1.00 0.00 H new ATOM 0 HA CYS A 24 6.836 -13.792 -7.080 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.829 -15.805 -5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.408 -15.140 -6.183 1.00 0.00 H new ATOM 0 HG CYS A 24 9.250 -14.044 -3.773 1.00 0.00 H new ATOM 340 N ASN A 25 8.248 -11.936 -7.778 1.00 0.00 N ATOM 341 CA ASN A 25 9.021 -10.781 -8.211 1.00 0.00 C ATOM 342 C ASN A 25 10.272 -10.597 -7.354 1.00 0.00 C ATOM 343 O ASN A 25 11.253 -9.998 -7.795 1.00 0.00 O ATOM 344 CB ASN A 25 8.153 -9.524 -8.146 1.00 0.00 C ATOM 345 CG ASN A 25 6.991 -9.583 -9.118 1.00 0.00 C ATOM 346 OD1 ASN A 25 5.828 -9.553 -8.715 1.00 0.00 O ATOM 347 ND2 ASN A 25 7.299 -9.667 -10.407 1.00 0.00 N ATOM 0 H ASN A 25 7.304 -11.711 -7.465 1.00 0.00 H new ATOM 0 HA ASN A 25 9.340 -10.951 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.771 -9.399 -7.133 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.765 -8.649 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.558 -9.709 -11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.277 -9.689 -10.697 1.00 0.00 H new ATOM 354 N GLY A 26 10.221 -11.085 -6.118 1.00 0.00 N ATOM 355 CA GLY A 26 11.347 -10.927 -5.215 1.00 0.00 C ATOM 356 C GLY A 26 12.398 -12.019 -5.321 1.00 0.00 C ATOM 357 O GLY A 26 13.578 -11.726 -5.514 1.00 0.00 O ATOM 0 H GLY A 26 9.423 -11.585 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.820 -9.965 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.974 -10.897 -4.191 1.00 0.00 H new ATOM 361 N CYS A 27 11.986 -13.274 -5.159 1.00 0.00 N ATOM 362 CA CYS A 27 12.932 -14.388 -5.204 1.00 0.00 C ATOM 363 C CYS A 27 12.858 -15.168 -6.514 1.00 0.00 C ATOM 364 O CYS A 27 13.638 -16.095 -6.730 1.00 0.00 O ATOM 365 CB CYS A 27 12.692 -15.330 -4.022 1.00 0.00 C ATOM 366 SG CYS A 27 11.089 -16.166 -4.060 1.00 0.00 S ATOM 0 H CYS A 27 11.016 -13.544 -4.997 1.00 0.00 H new ATOM 0 HA CYS A 27 13.932 -13.960 -5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.481 -16.081 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.772 -14.761 -3.096 1.00 0.00 H new ATOM 0 HG CYS A 27 10.979 -16.941 -3.022 1.00 0.00 H new ATOM 372 N GLY A 28 11.941 -14.789 -7.395 1.00 0.00 N ATOM 373 CA GLY A 28 11.826 -15.472 -8.671 1.00 0.00 C ATOM 374 C GLY A 28 11.258 -16.874 -8.551 1.00 0.00 C ATOM 375 O GLY A 28 11.237 -17.620 -9.531 1.00 0.00 O ATOM 0 H GLY A 28 11.279 -14.027 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.190 -14.885 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.810 -15.524 -9.137 1.00 0.00 H new ATOM 379 N CYS A 29 10.792 -17.239 -7.360 1.00 0.00 N ATOM 380 CA CYS A 29 10.223 -18.566 -7.156 1.00 0.00 C ATOM 381 C CYS A 29 8.896 -18.686 -7.890 1.00 0.00 C ATOM 382 O CYS A 29 8.129 -17.727 -7.971 1.00 0.00 O ATOM 383 CB CYS A 29 10.034 -18.862 -5.669 1.00 0.00 C ATOM 384 SG CYS A 29 8.575 -18.085 -4.936 1.00 0.00 S ATOM 0 H CYS A 29 10.797 -16.643 -6.532 1.00 0.00 H new ATOM 0 HA CYS A 29 10.920 -19.300 -7.560 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.965 -19.941 -5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.920 -18.528 -5.128 1.00 0.00 H new ATOM 0 HG CYS A 29 8.926 -16.994 -4.323 1.00 0.00 H new ATOM 390 N VAL A 30 8.642 -19.864 -8.443 1.00 0.00 N ATOM 391 CA VAL A 30 7.418 -20.103 -9.193 1.00 0.00 C ATOM 392 C VAL A 30 6.247 -20.417 -8.274 1.00 0.00 C ATOM 393 O VAL A 30 6.380 -21.181 -7.317 1.00 0.00 O ATOM 394 CB VAL A 30 7.577 -21.265 -10.186 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.707 -21.042 -11.412 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.037 -21.447 -10.577 1.00 0.00 C ATOM 0 H VAL A 30 9.267 -20.668 -8.386 1.00 0.00 H new ATOM 0 HA VAL A 30 7.216 -19.182 -9.739 1.00 0.00 H new ATOM 0 HB VAL A 30 7.246 -22.181 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.833 -21.875 -12.104 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.662 -20.976 -11.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.001 -20.115 -11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.125 -22.275 -11.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.405 -20.534 -11.044 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.628 -21.663 -9.687 1.00 0.00 H new ATOM 406 N PHE A 31 5.099 -19.835 -8.580 1.00 0.00 N ATOM 407 CA PHE A 31 3.898 -20.066 -7.790 1.00 0.00 C ATOM 408 C PHE A 31 3.236 -21.369 -8.222 1.00 0.00 C ATOM 409 O PHE A 31 3.067 -21.639 -9.412 1.00 0.00 O ATOM 410 CB PHE A 31 2.918 -18.902 -7.937 1.00 0.00 C ATOM 411 CG PHE A 31 3.466 -17.588 -7.456 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.542 -17.308 -6.100 1.00 0.00 C ATOM 413 CD2 PHE A 31 3.905 -16.634 -8.358 1.00 0.00 C ATOM 414 CE1 PHE A 31 4.046 -16.100 -5.655 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.410 -15.424 -7.920 1.00 0.00 C ATOM 416 CZ PHE A 31 4.480 -15.157 -6.567 1.00 0.00 C ATOM 0 H PHE A 31 4.972 -19.200 -9.368 1.00 0.00 H new ATOM 0 HA PHE A 31 4.183 -20.140 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.636 -18.806 -8.985 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.009 -19.132 -7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.204 -18.042 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.852 -16.838 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.100 -15.894 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.749 -14.689 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.873 -14.212 -6.222 1.00 0.00 H new ATOM 426 N THR A 32 2.876 -22.170 -7.230 1.00 0.00 N ATOM 427 CA THR A 32 2.242 -23.460 -7.468 1.00 0.00 C ATOM 428 C THR A 32 0.913 -23.565 -6.729 1.00 0.00 C ATOM 429 O THR A 32 0.551 -22.689 -5.943 1.00 0.00 O ATOM 430 CB THR A 32 3.173 -24.593 -7.035 1.00 0.00 C ATOM 431 OG1 THR A 32 3.212 -24.698 -5.624 1.00 0.00 O ATOM 432 CG2 THR A 32 4.595 -24.417 -7.524 1.00 0.00 C ATOM 0 H THR A 32 3.013 -21.947 -6.244 1.00 0.00 H new ATOM 0 HA THR A 32 2.045 -23.547 -8.536 1.00 0.00 H new ATOM 0 HB THR A 32 2.760 -25.496 -7.485 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.811 -25.429 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.203 -25.254 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.604 -24.383 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.003 -23.487 -7.129 1.00 0.00 H new ATOM 440 N THR A 33 0.189 -24.645 -6.996 1.00 0.00 N ATOM 441 CA THR A 33 -1.106 -24.886 -6.372 1.00 0.00 C ATOM 442 C THR A 33 -1.045 -24.738 -4.852 1.00 0.00 C ATOM 443 O THR A 33 -1.980 -24.221 -4.241 1.00 0.00 O ATOM 444 CB THR A 33 -1.603 -26.289 -6.727 1.00 0.00 C ATOM 445 OG1 THR A 33 -0.752 -27.278 -6.176 1.00 0.00 O ATOM 446 CG2 THR A 33 -1.687 -26.533 -8.217 1.00 0.00 C ATOM 0 H THR A 33 0.481 -25.374 -7.647 1.00 0.00 H new ATOM 0 HA THR A 33 -1.798 -24.136 -6.755 1.00 0.00 H new ATOM 0 HB THR A 33 -2.607 -26.355 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.088 -28.168 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.046 -27.546 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.376 -25.817 -8.665 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.699 -26.412 -8.662 1.00 0.00 H new ATOM 454 N THR A 34 0.040 -25.201 -4.240 1.00 0.00 N ATOM 455 CA THR A 34 0.174 -25.117 -2.787 1.00 0.00 C ATOM 456 C THR A 34 0.592 -23.719 -2.340 1.00 0.00 C ATOM 457 O THR A 34 0.351 -23.338 -1.195 1.00 0.00 O ATOM 458 CB THR A 34 1.179 -26.151 -2.279 1.00 0.00 C ATOM 459 OG1 THR A 34 2.486 -25.841 -2.728 1.00 0.00 O ATOM 460 CG2 THR A 34 0.862 -27.560 -2.729 1.00 0.00 C ATOM 0 H THR A 34 0.831 -25.633 -4.718 1.00 0.00 H new ATOM 0 HA THR A 34 -0.805 -25.329 -2.357 1.00 0.00 H new ATOM 0 HB THR A 34 1.115 -26.109 -1.192 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.435 -25.392 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.613 -28.245 -2.335 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.122 -27.848 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.867 -27.604 -3.818 1.00 0.00 H new ATOM 468 N VAL A 35 1.211 -22.952 -3.227 1.00 0.00 N ATOM 469 CA VAL A 35 1.635 -21.604 -2.871 1.00 0.00 C ATOM 470 C VAL A 35 0.611 -20.566 -3.302 1.00 0.00 C ATOM 471 O VAL A 35 0.397 -20.331 -4.491 1.00 0.00 O ATOM 472 CB VAL A 35 2.984 -21.237 -3.509 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.241 -19.743 -3.387 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.117 -22.027 -2.876 1.00 0.00 C ATOM 0 H VAL A 35 1.428 -23.233 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 35 1.735 -21.600 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 35 2.941 -21.496 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.200 -19.500 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.448 -19.195 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.259 -19.462 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.061 -21.749 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.163 -21.806 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.941 -23.093 -3.019 1.00 0.00 H new ATOM 484 N ARG A 36 -0.002 -19.940 -2.312 1.00 0.00 N ATOM 485 CA ARG A 36 -0.997 -18.905 -2.550 1.00 0.00 C ATOM 486 C ARG A 36 -0.322 -17.627 -3.031 1.00 0.00 C ATOM 487 O ARG A 36 0.776 -17.285 -2.591 1.00 0.00 O ATOM 488 CB ARG A 36 -1.789 -18.620 -1.271 1.00 0.00 C ATOM 489 CG ARG A 36 -2.632 -19.792 -0.795 1.00 0.00 C ATOM 490 CD ARG A 36 -3.466 -19.419 0.422 1.00 0.00 C ATOM 491 NE ARG A 36 -2.640 -18.938 1.526 1.00 0.00 N ATOM 492 CZ ARG A 36 -3.118 -18.654 2.734 1.00 0.00 C ATOM 493 NH1 ARG A 36 -4.412 -18.792 2.987 1.00 0.00 N ATOM 494 NH2 ARG A 36 -2.302 -18.229 3.689 1.00 0.00 N ATOM 0 H ARG A 36 0.174 -20.132 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.683 -19.259 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.094 -18.340 -0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.440 -17.762 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.288 -20.121 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.983 -20.633 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.186 -18.649 0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.038 -20.287 0.749 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.641 -18.813 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.043 -19.117 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.776 -18.574 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.306 -18.119 3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.670 -18.012 4.615 1.00 0.00 H new ATOM 508 N ARG A 37 -0.988 -16.928 -3.939 1.00 0.00 N ATOM 509 CA ARG A 37 -0.460 -15.688 -4.490 1.00 0.00 C ATOM 510 C ARG A 37 -0.802 -14.513 -3.580 1.00 0.00 C ATOM 511 O ARG A 37 -1.894 -14.454 -3.017 1.00 0.00 O ATOM 512 CB ARG A 37 -1.029 -15.462 -5.891 1.00 0.00 C ATOM 513 CG ARG A 37 -0.296 -14.399 -6.688 1.00 0.00 C ATOM 514 CD ARG A 37 -0.937 -14.200 -8.050 1.00 0.00 C ATOM 515 NE ARG A 37 -1.036 -15.452 -8.795 1.00 0.00 N ATOM 516 CZ ARG A 37 -0.010 -16.024 -9.417 1.00 0.00 C ATOM 517 NH1 ARG A 37 1.183 -15.450 -9.395 1.00 0.00 N ATOM 518 NH2 ARG A 37 -0.179 -17.167 -10.066 1.00 0.00 N ATOM 0 H ARG A 37 -1.898 -17.200 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 37 0.625 -15.763 -4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.996 -16.402 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.078 -15.179 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.303 -13.458 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.748 -14.688 -6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.932 -13.773 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.353 -13.481 -8.624 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.944 -15.914 -8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.315 -14.568 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.970 -15.890 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.098 -17.609 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.610 -17.604 -10.543 1.00 0.00 H new ATOM 532 N HIS A 38 0.138 -13.584 -3.431 1.00 0.00 N ATOM 533 CA HIS A 38 -0.074 -12.421 -2.578 1.00 0.00 C ATOM 534 C HIS A 38 0.573 -11.168 -3.163 1.00 0.00 C ATOM 535 O HIS A 38 1.354 -11.245 -4.110 1.00 0.00 O ATOM 536 CB HIS A 38 0.483 -12.683 -1.177 1.00 0.00 C ATOM 537 CG HIS A 38 -0.172 -13.834 -0.476 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.429 -13.756 0.088 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.263 -15.095 -0.250 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.737 -14.920 0.631 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.728 -15.750 0.439 1.00 0.00 N ATOM 0 H HIS A 38 1.049 -13.614 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.149 -12.250 -2.517 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.553 -12.875 -1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.361 -11.784 -0.573 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -2.026 -12.929 0.086 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.213 -15.509 -0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.658 -15.153 1.145 1.00 0.00 H new ATOM 550 N HIS A 39 0.230 -10.018 -2.597 1.00 0.00 N ATOM 551 CA HIS A 39 0.767 -8.744 -3.069 1.00 0.00 C ATOM 552 C HIS A 39 1.306 -7.902 -1.919 1.00 0.00 C ATOM 553 O HIS A 39 0.774 -7.937 -0.810 1.00 0.00 O ATOM 554 CB HIS A 39 -0.314 -7.962 -3.816 1.00 0.00 C ATOM 555 CG HIS A 39 -0.796 -8.639 -5.061 1.00 0.00 C ATOM 556 ND1 HIS A 39 -1.847 -9.531 -5.074 1.00 0.00 N ATOM 557 CD2 HIS A 39 -0.369 -8.545 -6.342 1.00 0.00 C ATOM 558 CE1 HIS A 39 -2.045 -9.958 -6.308 1.00 0.00 C ATOM 559 NE2 HIS A 39 -1.162 -9.374 -7.097 1.00 0.00 N ATOM 0 H HIS A 39 -0.416 -9.939 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 39 1.594 -8.964 -3.745 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.161 -7.803 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.076 -6.978 -4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.444 -7.932 -6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.800 -10.664 -6.619 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.082 -9.516 -8.104 1.00 0.00 H new ATOM 568 N CYS A 40 2.343 -7.116 -2.203 1.00 0.00 N ATOM 569 CA CYS A 40 2.943 -6.223 -1.220 1.00 0.00 C ATOM 570 C CYS A 40 2.230 -4.870 -1.282 1.00 0.00 C ATOM 571 O CYS A 40 1.908 -4.377 -2.364 1.00 0.00 O ATOM 572 CB CYS A 40 4.437 -6.062 -1.521 1.00 0.00 C ATOM 573 SG CYS A 40 5.240 -4.732 -0.600 1.00 0.00 S ATOM 0 H CYS A 40 2.788 -7.082 -3.120 1.00 0.00 H new ATOM 0 HA CYS A 40 2.836 -6.637 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.944 -7.001 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.563 -5.877 -2.588 1.00 0.00 H new ATOM 0 HG CYS A 40 6.301 -4.340 -1.240 1.00 0.00 H new ATOM 579 N ARG A 41 1.944 -4.299 -0.113 1.00 0.00 N ATOM 580 CA ARG A 41 1.219 -3.029 -0.024 1.00 0.00 C ATOM 581 C ARG A 41 2.067 -1.830 -0.446 1.00 0.00 C ATOM 582 O ARG A 41 1.567 -0.709 -0.535 1.00 0.00 O ATOM 583 CB ARG A 41 0.707 -2.827 1.401 1.00 0.00 C ATOM 584 CG ARG A 41 -0.262 -3.908 1.850 1.00 0.00 C ATOM 585 CD ARG A 41 -0.810 -3.628 3.239 1.00 0.00 C ATOM 586 NE ARG A 41 -1.564 -4.763 3.768 1.00 0.00 N ATOM 587 CZ ARG A 41 -2.822 -5.032 3.433 1.00 0.00 C ATOM 588 NH1 ARG A 41 -3.463 -4.254 2.573 1.00 0.00 N ATOM 589 NH2 ARG A 41 -3.439 -6.083 3.956 1.00 0.00 N ATOM 0 H ARG A 41 2.204 -4.696 0.790 1.00 0.00 H new ATOM 0 HA ARG A 41 0.383 -3.088 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.556 -2.803 2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.215 -1.857 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.086 -3.976 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.243 -4.874 1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.014 -3.394 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.454 -2.749 3.205 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.099 -5.383 4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.991 -3.446 2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.428 -4.463 2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.948 -6.686 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.404 -6.288 3.698 1.00 0.00 H new ATOM 603 N ASN A 42 3.343 -2.067 -0.701 1.00 0.00 N ATOM 604 CA ASN A 42 4.254 -1.005 -1.108 1.00 0.00 C ATOM 605 C ASN A 42 4.490 -1.015 -2.619 1.00 0.00 C ATOM 606 O ASN A 42 4.047 -0.112 -3.329 1.00 0.00 O ATOM 607 CB ASN A 42 5.583 -1.152 -0.364 1.00 0.00 C ATOM 608 CG ASN A 42 5.457 -0.848 1.113 1.00 0.00 C ATOM 609 OD1 ASN A 42 4.943 0.200 1.498 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.924 -1.765 1.950 1.00 0.00 N ATOM 0 H ASN A 42 3.775 -2.989 -0.634 1.00 0.00 H new ATOM 0 HA ASN A 42 3.797 -0.049 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.957 -2.168 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.320 -0.483 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.864 -1.614 2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.343 -2.621 1.587 1.00 0.00 H new ATOM 617 N CYS A 43 5.203 -2.023 -3.102 1.00 0.00 N ATOM 618 CA CYS A 43 5.510 -2.126 -4.526 1.00 0.00 C ATOM 619 C CYS A 43 4.304 -2.597 -5.335 1.00 0.00 C ATOM 620 O CYS A 43 4.200 -2.315 -6.529 1.00 0.00 O ATOM 621 CB CYS A 43 6.689 -3.075 -4.747 1.00 0.00 C ATOM 622 SG CYS A 43 6.392 -4.768 -4.184 1.00 0.00 S ATOM 0 H CYS A 43 5.580 -2.780 -2.532 1.00 0.00 H new ATOM 0 HA CYS A 43 5.777 -1.129 -4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.931 -3.094 -5.810 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.562 -2.679 -4.228 1.00 0.00 H new ATOM 0 HG CYS A 43 6.876 -4.918 -2.987 1.00 0.00 H new ATOM 628 N GLY A 44 3.389 -3.301 -4.678 1.00 0.00 N ATOM 629 CA GLY A 44 2.201 -3.781 -5.358 1.00 0.00 C ATOM 630 C GLY A 44 2.488 -4.944 -6.288 1.00 0.00 C ATOM 631 O GLY A 44 1.721 -5.215 -7.210 1.00 0.00 O ATOM 0 H GLY A 44 3.448 -3.547 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.462 -4.087 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.760 -2.964 -5.930 1.00 0.00 H new ATOM 635 N TYR A 45 3.591 -5.638 -6.039 1.00 0.00 N ATOM 636 CA TYR A 45 3.974 -6.781 -6.854 1.00 0.00 C ATOM 637 C TYR A 45 3.564 -8.078 -6.178 1.00 0.00 C ATOM 638 O TYR A 45 3.279 -8.102 -4.982 1.00 0.00 O ATOM 639 CB TYR A 45 5.478 -6.779 -7.124 1.00 0.00 C ATOM 640 CG TYR A 45 5.963 -5.530 -7.823 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.261 -4.993 -8.894 1.00 0.00 C ATOM 642 CD2 TYR A 45 7.124 -4.886 -7.411 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.700 -3.850 -9.535 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.569 -3.743 -8.046 1.00 0.00 C ATOM 645 CZ TYR A 45 6.854 -3.229 -9.107 1.00 0.00 C ATOM 646 OH TYR A 45 7.294 -2.090 -9.741 1.00 0.00 O ATOM 0 H TYR A 45 4.236 -5.428 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 45 3.454 -6.704 -7.809 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.009 -6.886 -6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.731 -7.648 -7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.356 -5.477 -9.232 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.687 -5.286 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.142 -3.446 -10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.473 -3.254 -7.713 1.00 0.00 H new ATOM 0 HH TYR A 45 8.120 -1.777 -9.316 1.00 0.00 H new ATOM 656 N VAL A 46 3.522 -9.151 -6.953 1.00 0.00 N ATOM 657 CA VAL A 46 3.131 -10.446 -6.418 1.00 0.00 C ATOM 658 C VAL A 46 4.275 -11.093 -5.649 1.00 0.00 C ATOM 659 O VAL A 46 5.388 -11.222 -6.159 1.00 0.00 O ATOM 660 CB VAL A 46 2.662 -11.407 -7.525 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.326 -12.768 -6.935 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.466 -10.827 -8.266 1.00 0.00 C ATOM 0 H VAL A 46 3.752 -9.152 -7.947 1.00 0.00 H new ATOM 0 HA VAL A 46 2.298 -10.261 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 46 3.473 -11.535 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.996 -13.437 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.211 -13.185 -6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.530 -12.659 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.149 -11.521 -9.045 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.646 -10.668 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.745 -9.876 -8.719 1.00 0.00 H new ATOM 672 N LEU A 47 3.988 -11.509 -4.421 1.00 0.00 N ATOM 673 CA LEU A 47 4.983 -12.158 -3.576 1.00 0.00 C ATOM 674 C LEU A 47 4.406 -13.421 -2.945 1.00 0.00 C ATOM 675 O LEU A 47 3.262 -13.431 -2.491 1.00 0.00 O ATOM 676 CB LEU A 47 5.447 -11.223 -2.450 1.00 0.00 C ATOM 677 CG LEU A 47 6.297 -10.019 -2.865 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.672 -10.462 -3.326 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.607 -9.206 -3.943 1.00 0.00 C ATOM 0 H LEU A 47 3.070 -11.408 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 47 5.832 -12.411 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.564 -10.853 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.018 -11.812 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 47 6.419 -9.381 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.257 -9.589 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.177 -10.985 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.571 -11.131 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.235 -8.358 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.440 -9.832 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.650 -8.843 -3.568 1.00 0.00 H new ATOM 691 N CYS A 48 5.213 -14.474 -2.885 1.00 0.00 N ATOM 692 CA CYS A 48 4.779 -15.718 -2.268 1.00 0.00 C ATOM 693 C CYS A 48 4.845 -15.565 -0.753 1.00 0.00 C ATOM 694 O CYS A 48 5.301 -14.533 -0.260 1.00 0.00 O ATOM 695 CB CYS A 48 5.652 -16.891 -2.729 1.00 0.00 C ATOM 696 SG CYS A 48 7.241 -17.011 -1.876 1.00 0.00 S ATOM 0 H CYS A 48 6.164 -14.490 -3.254 1.00 0.00 H new ATOM 0 HA CYS A 48 3.754 -15.932 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.101 -17.820 -2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.833 -16.796 -3.800 1.00 0.00 H new ATOM 0 HG CYS A 48 8.127 -17.522 -2.679 1.00 0.00 H new ATOM 702 N GLY A 49 4.391 -16.564 -0.006 1.00 0.00 N ATOM 703 CA GLY A 49 4.428 -16.454 1.438 1.00 0.00 C ATOM 704 C GLY A 49 5.808 -16.095 1.954 1.00 0.00 C ATOM 705 O GLY A 49 5.966 -15.138 2.709 1.00 0.00 O ATOM 0 H GLY A 49 4.004 -17.435 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.714 -15.696 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.112 -17.399 1.880 1.00 0.00 H new ATOM 709 N ASP A 50 6.801 -16.873 1.539 1.00 0.00 N ATOM 710 CA ASP A 50 8.185 -16.662 1.959 1.00 0.00 C ATOM 711 C ASP A 50 8.687 -15.254 1.656 1.00 0.00 C ATOM 712 O ASP A 50 9.457 -14.679 2.425 1.00 0.00 O ATOM 713 CB ASP A 50 9.099 -17.691 1.297 1.00 0.00 C ATOM 714 CG ASP A 50 8.943 -19.075 1.897 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.264 -19.196 2.939 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.497 -20.037 1.326 1.00 0.00 O ATOM 0 H ASP A 50 6.673 -17.663 0.906 1.00 0.00 H new ATOM 0 HA ASP A 50 8.208 -16.786 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.880 -17.734 0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.136 -17.370 1.397 1.00 0.00 H new ATOM 721 N CYS A 51 8.243 -14.705 0.532 1.00 0.00 N ATOM 722 CA CYS A 51 8.646 -13.364 0.124 1.00 0.00 C ATOM 723 C CYS A 51 7.705 -12.309 0.690 1.00 0.00 C ATOM 724 O CYS A 51 7.914 -11.112 0.497 1.00 0.00 O ATOM 725 CB CYS A 51 8.696 -13.262 -1.401 1.00 0.00 C ATOM 726 SG CYS A 51 10.313 -13.671 -2.104 1.00 0.00 S ATOM 0 H CYS A 51 7.603 -15.168 -0.114 1.00 0.00 H new ATOM 0 HA CYS A 51 9.643 -13.179 0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.946 -13.929 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.426 -12.248 -1.698 1.00 0.00 H new ATOM 0 HG CYS A 51 10.269 -14.858 -2.633 1.00 0.00 H new ATOM 732 N SER A 52 6.675 -12.757 1.398 1.00 0.00 N ATOM 733 CA SER A 52 5.709 -11.855 2.007 1.00 0.00 C ATOM 734 C SER A 52 5.482 -12.246 3.462 1.00 0.00 C ATOM 735 O SER A 52 4.419 -11.988 4.028 1.00 0.00 O ATOM 736 CB SER A 52 4.389 -11.891 1.235 1.00 0.00 C ATOM 737 OG SER A 52 3.712 -13.119 1.439 1.00 0.00 O ATOM 0 H SER A 52 6.488 -13.746 1.564 1.00 0.00 H new ATOM 0 HA SER A 52 6.102 -10.839 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.754 -11.065 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.582 -11.751 0.171 1.00 0.00 H new ATOM 0 HG SER A 52 4.122 -13.815 0.884 1.00 0.00 H new ATOM 743 N ARG A 53 6.496 -12.861 4.065 1.00 0.00 N ATOM 744 CA ARG A 53 6.417 -13.275 5.460 1.00 0.00 C ATOM 745 C ARG A 53 6.726 -12.116 6.402 1.00 0.00 C ATOM 746 O ARG A 53 6.364 -12.160 7.579 1.00 0.00 O ATOM 747 CB ARG A 53 7.369 -14.441 5.751 1.00 0.00 C ATOM 748 CG ARG A 53 6.902 -15.780 5.209 1.00 0.00 C ATOM 749 CD ARG A 53 7.724 -16.917 5.792 1.00 0.00 C ATOM 750 NE ARG A 53 7.330 -18.216 5.252 1.00 0.00 N ATOM 751 CZ ARG A 53 7.508 -19.365 5.898 1.00 0.00 C ATOM 752 NH1 ARG A 53 8.083 -19.375 7.094 1.00 0.00 N ATOM 753 NH2 ARG A 53 7.113 -20.505 5.348 1.00 0.00 N ATOM 0 H ARG A 53 7.381 -13.083 3.609 1.00 0.00 H new ATOM 0 HA ARG A 53 5.393 -13.606 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.346 -14.211 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.502 -14.525 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.849 -15.927 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.985 -15.786 4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.780 -16.744 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.611 -16.926 6.876 1.00 0.00 H new ATOM 0 HE ARG A 53 6.895 -18.243 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.390 -18.500 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.218 -20.257 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.672 -20.502 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.250 -21.385 5.845 1.00 0.00 H new ATOM 767 N HIS A 54 7.397 -11.082 5.900 1.00 0.00 N ATOM 768 CA HIS A 54 7.738 -9.937 6.736 1.00 0.00 C ATOM 769 C HIS A 54 6.532 -9.038 6.956 1.00 0.00 C ATOM 770 O HIS A 54 5.544 -9.111 6.225 1.00 0.00 O ATOM 771 CB HIS A 54 8.869 -9.117 6.112 1.00 0.00 C ATOM 772 CG HIS A 54 10.184 -9.829 6.076 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.899 -10.145 7.212 1.00 0.00 N ATOM 774 CD2 HIS A 54 10.920 -10.284 5.033 1.00 0.00 C ATOM 775 CE1 HIS A 54 12.017 -10.762 6.871 1.00 0.00 C ATOM 776 NE2 HIS A 54 12.053 -10.859 5.555 1.00 0.00 N ATOM 0 H HIS A 54 7.711 -11.014 4.932 1.00 0.00 H new ATOM 0 HA HIS A 54 8.069 -10.330 7.697 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.588 -8.842 5.095 1.00 0.00 H new ATOM 0 HB3 HIS A 54 8.984 -8.189 6.673 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.664 -10.209 3.987 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.772 -11.125 7.553 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.801 -11.291 5.013 1.00 0.00 H new ATOM 785 N ARG A 55 6.632 -8.182 7.961 1.00 0.00 N ATOM 786 CA ARG A 55 5.561 -7.251 8.276 1.00 0.00 C ATOM 787 C ARG A 55 6.139 -5.887 8.645 1.00 0.00 C ATOM 788 O ARG A 55 7.120 -5.798 9.384 1.00 0.00 O ATOM 789 CB ARG A 55 4.692 -7.798 9.409 1.00 0.00 C ATOM 790 CG ARG A 55 4.090 -9.158 9.097 1.00 0.00 C ATOM 791 CD ARG A 55 3.178 -9.639 10.214 1.00 0.00 C ATOM 792 NE ARG A 55 2.823 -11.046 10.054 1.00 0.00 N ATOM 793 CZ ARG A 55 1.813 -11.631 10.689 1.00 0.00 C ATOM 794 NH1 ARG A 55 1.057 -10.932 11.526 1.00 0.00 N ATOM 795 NH2 ARG A 55 1.559 -12.916 10.489 1.00 0.00 N ATOM 0 H ARG A 55 7.445 -8.113 8.573 1.00 0.00 H new ATOM 0 HA ARG A 55 4.931 -7.130 7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.293 -7.873 10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.889 -7.091 9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.526 -9.101 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.889 -9.883 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.673 -9.496 11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.271 -9.034 10.229 1.00 0.00 H new ATOM 0 HE ARG A 55 3.383 -11.613 9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.251 -9.943 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.282 -11.384 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.139 -13.457 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.784 -13.365 10.977 1.00 0.00 H new ATOM 809 N ALA A 56 5.531 -4.834 8.126 1.00 0.00 N ATOM 810 CA ALA A 56 5.999 -3.480 8.405 1.00 0.00 C ATOM 811 C ALA A 56 4.921 -2.443 8.133 1.00 0.00 C ATOM 812 O ALA A 56 4.042 -2.653 7.298 1.00 0.00 O ATOM 813 CB ALA A 56 7.238 -3.176 7.577 1.00 0.00 C ATOM 0 H ALA A 56 4.717 -4.885 7.513 1.00 0.00 H new ATOM 0 HA ALA A 56 6.248 -3.427 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.580 -2.164 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.026 -3.886 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.997 -3.260 6.517 1.00 0.00 H new ATOM 819 N ALA A 57 5.009 -1.307 8.818 1.00 0.00 N ATOM 820 CA ALA A 57 4.058 -0.223 8.622 1.00 0.00 C ATOM 821 C ALA A 57 4.537 0.665 7.486 1.00 0.00 C ATOM 822 O ALA A 57 5.736 0.741 7.218 1.00 0.00 O ATOM 823 CB ALA A 57 3.891 0.582 9.901 1.00 0.00 C ATOM 0 H ALA A 57 5.730 -1.115 9.513 1.00 0.00 H new ATOM 0 HA ALA A 57 3.085 -0.641 8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.176 1.387 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.525 -0.069 10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.852 1.005 10.193 1.00 0.00 H new ATOM 829 N ILE A 58 3.612 1.333 6.812 1.00 0.00 N ATOM 830 CA ILE A 58 3.964 2.203 5.704 1.00 0.00 C ATOM 831 C ILE A 58 3.328 3.578 5.872 1.00 0.00 C ATOM 832 O ILE A 58 2.314 3.888 5.247 1.00 0.00 O ATOM 833 CB ILE A 58 3.515 1.587 4.370 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.635 0.063 4.433 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.343 2.147 3.227 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.109 -0.643 3.202 1.00 0.00 C ATOM 0 H ILE A 58 2.613 1.288 7.014 1.00 0.00 H new ATOM 0 HA ILE A 58 5.048 2.315 5.698 1.00 0.00 H new ATOM 0 HB ILE A 58 2.471 1.845 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.682 -0.204 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.094 -0.299 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.014 1.702 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.215 3.228 3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.395 1.913 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.228 -1.720 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.053 -0.407 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.666 -0.311 2.326 1.00 0.00 H new ATOM 848 N PRO A 59 3.911 4.410 6.744 1.00 0.00 N ATOM 849 CA PRO A 59 3.402 5.755 7.032 1.00 0.00 C ATOM 850 C PRO A 59 3.438 6.699 5.834 1.00 0.00 C ATOM 851 O PRO A 59 2.874 7.792 5.891 1.00 0.00 O ATOM 852 CB PRO A 59 4.317 6.259 8.152 1.00 0.00 C ATOM 853 CG PRO A 59 5.556 5.443 8.027 1.00 0.00 C ATOM 854 CD PRO A 59 5.109 4.094 7.541 1.00 0.00 C ATOM 0 HA PRO A 59 2.347 5.721 7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.530 7.322 8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.854 6.128 9.130 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.256 5.899 7.327 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.070 5.363 8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.877 3.607 6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.878 3.423 8.368 1.00 0.00 H new ATOM 862 N MET A 60 4.067 6.281 4.741 1.00 0.00 N ATOM 863 CA MET A 60 4.114 7.113 3.545 1.00 0.00 C ATOM 864 C MET A 60 2.912 6.802 2.667 1.00 0.00 C ATOM 865 O MET A 60 2.321 7.687 2.049 1.00 0.00 O ATOM 866 CB MET A 60 5.410 6.858 2.773 1.00 0.00 C ATOM 867 CG MET A 60 6.663 7.183 3.569 1.00 0.00 C ATOM 868 SD MET A 60 6.680 8.883 4.171 1.00 0.00 S ATOM 869 CE MET A 60 6.678 9.787 2.625 1.00 0.00 C ATOM 0 H MET A 60 4.545 5.384 4.658 1.00 0.00 H new ATOM 0 HA MET A 60 4.087 8.163 3.836 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.443 5.812 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.404 7.454 1.861 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.738 6.501 4.416 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.540 7.014 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.953 10.825 2.810 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.397 9.338 1.940 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.683 9.749 2.183 1.00 0.00 H new ATOM 879 N ARG A 61 2.563 5.524 2.629 1.00 0.00 N ATOM 880 CA ARG A 61 1.432 5.054 1.840 1.00 0.00 C ATOM 881 C ARG A 61 0.131 5.217 2.623 1.00 0.00 C ATOM 882 O ARG A 61 -0.945 4.842 2.157 1.00 0.00 O ATOM 883 CB ARG A 61 1.644 3.588 1.457 1.00 0.00 C ATOM 884 CG ARG A 61 2.992 3.329 0.799 1.00 0.00 C ATOM 885 CD ARG A 61 3.157 4.109 -0.495 1.00 0.00 C ATOM 886 NE ARG A 61 2.978 3.267 -1.676 1.00 0.00 N ATOM 887 CZ ARG A 61 3.586 3.486 -2.840 1.00 0.00 C ATOM 888 NH1 ARG A 61 4.394 4.528 -2.988 1.00 0.00 N ATOM 889 NH2 ARG A 61 3.380 2.665 -3.860 1.00 0.00 N ATOM 0 H ARG A 61 3.051 4.788 3.140 1.00 0.00 H new ATOM 0 HA ARG A 61 1.361 5.652 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.558 2.970 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.850 3.278 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.790 3.601 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.096 2.263 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.434 4.925 -0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.149 4.561 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 61 2.351 2.465 -1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.552 5.166 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.857 4.691 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.756 1.866 -3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.846 2.833 -4.752 1.00 0.00 H new ATOM 903 N GLY A 62 0.254 5.791 3.816 1.00 0.00 N ATOM 904 CA GLY A 62 -0.901 6.013 4.663 1.00 0.00 C ATOM 905 C GLY A 62 -1.129 4.882 5.640 1.00 0.00 C ATOM 906 O GLY A 62 -2.146 4.848 6.334 1.00 0.00 O ATOM 0 H GLY A 62 1.139 6.108 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.769 6.944 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.787 6.134 4.039 1.00 0.00 H new ATOM 910 N ILE A 63 -0.184 3.950 5.701 1.00 0.00 N ATOM 911 CA ILE A 63 -0.290 2.814 6.603 1.00 0.00 C ATOM 912 C ILE A 63 0.509 3.076 7.876 1.00 0.00 C ATOM 913 O ILE A 63 1.735 2.967 7.885 1.00 0.00 O ATOM 914 CB ILE A 63 0.234 1.536 5.914 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.534 1.286 4.614 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.127 0.333 6.836 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.054 0.180 3.765 1.00 0.00 C ATOM 0 H ILE A 63 0.664 3.961 5.135 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.339 2.674 6.863 1.00 0.00 H new ATOM 0 HB ILE A 63 1.288 1.683 5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.568 1.037 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.555 2.207 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.503 -0.553 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.717 0.510 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.916 0.177 7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.542 0.060 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.078 0.435 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.050 -0.753 4.329 1.00 0.00 H new ATOM 929 N THR A 64 -0.190 3.433 8.948 1.00 0.00 N ATOM 930 CA THR A 64 0.462 3.721 10.221 1.00 0.00 C ATOM 931 C THR A 64 0.640 2.459 11.056 1.00 0.00 C ATOM 932 O THR A 64 1.450 2.429 11.983 1.00 0.00 O ATOM 933 CB THR A 64 -0.333 4.768 11.000 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.638 4.298 11.288 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.463 6.085 10.263 1.00 0.00 C ATOM 0 H THR A 64 -1.205 3.530 8.961 1.00 0.00 H new ATOM 0 HA THR A 64 1.454 4.118 10.005 1.00 0.00 H new ATOM 0 HB THR A 64 0.230 4.939 11.918 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.129 4.983 11.788 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.038 6.786 10.869 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.529 6.496 10.075 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.974 5.922 9.314 1.00 0.00 H new ATOM 943 N GLU A 65 -0.100 1.412 10.714 1.00 0.00 N ATOM 944 CA GLU A 65 -0.001 0.145 11.424 1.00 0.00 C ATOM 945 C GLU A 65 0.805 -0.838 10.591 1.00 0.00 C ATOM 946 O GLU A 65 0.694 -0.853 9.367 1.00 0.00 O ATOM 947 CB GLU A 65 -1.393 -0.421 11.708 1.00 0.00 C ATOM 948 CG GLU A 65 -2.430 0.642 12.030 1.00 0.00 C ATOM 949 CD GLU A 65 -3.644 0.072 12.735 1.00 0.00 C ATOM 950 OE1 GLU A 65 -4.571 -0.395 12.039 1.00 0.00 O ATOM 951 OE2 GLU A 65 -3.671 0.094 13.984 1.00 0.00 O ATOM 0 H GLU A 65 -0.775 1.416 9.949 1.00 0.00 H new ATOM 0 HA GLU A 65 0.501 0.309 12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.727 -0.992 10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.329 -1.118 12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.976 1.410 12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.745 1.129 11.107 1.00 0.00 H new ATOM 958 N PRO A 66 1.643 -1.664 11.229 1.00 0.00 N ATOM 959 CA PRO A 66 2.470 -2.627 10.507 1.00 0.00 C ATOM 960 C PRO A 66 1.636 -3.554 9.630 1.00 0.00 C ATOM 961 O PRO A 66 0.714 -4.218 10.104 1.00 0.00 O ATOM 962 CB PRO A 66 3.183 -3.407 11.615 1.00 0.00 C ATOM 963 CG PRO A 66 3.127 -2.518 12.812 1.00 0.00 C ATOM 964 CD PRO A 66 1.861 -1.713 12.682 1.00 0.00 C ATOM 0 HA PRO A 66 3.161 -2.138 9.821 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.689 -4.359 11.808 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.213 -3.632 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.123 -3.104 13.731 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.000 -1.866 12.853 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.027 -2.188 13.199 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.973 -0.715 13.106 1.00 0.00 H new ATOM 972 N GLU A 67 1.970 -3.581 8.344 1.00 0.00 N ATOM 973 CA GLU A 67 1.265 -4.407 7.375 1.00 0.00 C ATOM 974 C GLU A 67 2.244 -5.295 6.609 1.00 0.00 C ATOM 975 O GLU A 67 3.457 -5.096 6.675 1.00 0.00 O ATOM 976 CB GLU A 67 0.488 -3.521 6.398 1.00 0.00 C ATOM 977 CG GLU A 67 -0.542 -2.630 7.070 1.00 0.00 C ATOM 978 CD GLU A 67 -1.591 -3.418 7.831 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.716 -4.636 7.582 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.286 -2.818 8.677 1.00 0.00 O ATOM 0 H GLU A 67 2.733 -3.033 7.947 1.00 0.00 H new ATOM 0 HA GLU A 67 0.565 -5.047 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.192 -2.897 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.014 -4.155 5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.036 -1.950 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.032 -2.015 6.315 1.00 0.00 H new ATOM 987 N ARG A 68 1.711 -6.280 5.895 1.00 0.00 N ATOM 988 CA ARG A 68 2.534 -7.212 5.128 1.00 0.00 C ATOM 989 C ARG A 68 3.195 -6.529 3.930 1.00 0.00 C ATOM 990 O ARG A 68 2.568 -5.758 3.203 1.00 0.00 O ATOM 991 CB ARG A 68 1.684 -8.394 4.670 1.00 0.00 C ATOM 992 CG ARG A 68 0.578 -8.013 3.698 1.00 0.00 C ATOM 993 CD ARG A 68 -0.404 -9.157 3.496 1.00 0.00 C ATOM 994 NE ARG A 68 -1.391 -8.863 2.457 1.00 0.00 N ATOM 995 CZ ARG A 68 -2.155 -9.788 1.884 1.00 0.00 C ATOM 996 NH1 ARG A 68 -2.044 -11.058 2.248 1.00 0.00 N ATOM 997 NH2 ARG A 68 -3.031 -9.445 0.949 1.00 0.00 N ATOM 0 H ARG A 68 0.708 -6.455 5.830 1.00 0.00 H new ATOM 0 HA ARG A 68 3.333 -7.572 5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.331 -9.134 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.239 -8.870 5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.047 -7.138 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.015 -7.733 2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.144 -10.061 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.918 -9.362 4.435 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.499 -7.895 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.372 -11.325 2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.630 -11.768 1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.120 -8.469 0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.615 -10.157 0.512 1.00 0.00 H new ATOM 1011 N VAL A 69 4.473 -6.841 3.740 1.00 0.00 N ATOM 1012 CA VAL A 69 5.265 -6.295 2.638 1.00 0.00 C ATOM 1013 C VAL A 69 6.327 -7.291 2.188 1.00 0.00 C ATOM 1014 O VAL A 69 6.686 -8.203 2.932 1.00 0.00 O ATOM 1015 CB VAL A 69 5.973 -4.994 3.046 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.958 -3.903 3.349 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.896 -5.243 4.233 1.00 0.00 C ATOM 0 H VAL A 69 4.991 -7.479 4.344 1.00 0.00 H new ATOM 0 HA VAL A 69 4.571 -6.092 1.823 1.00 0.00 H new ATOM 0 HB VAL A 69 6.585 -4.651 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.480 -2.990 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.353 -3.712 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.312 -4.224 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.391 -4.312 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.312 -5.610 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.646 -5.985 3.961 1.00 0.00 H new ATOM 1027 N CYS A 70 6.845 -7.100 0.980 1.00 0.00 N ATOM 1028 CA CYS A 70 7.883 -7.973 0.457 1.00 0.00 C ATOM 1029 C CYS A 70 9.213 -7.647 1.124 1.00 0.00 C ATOM 1030 O CYS A 70 9.251 -6.934 2.126 1.00 0.00 O ATOM 1031 CB CYS A 70 7.996 -7.855 -1.065 1.00 0.00 C ATOM 1032 SG CYS A 70 9.071 -6.524 -1.637 1.00 0.00 S ATOM 0 H CYS A 70 6.563 -6.351 0.348 1.00 0.00 H new ATOM 0 HA CYS A 70 7.614 -9.004 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.366 -8.800 -1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.999 -7.703 -1.480 1.00 0.00 H new ATOM 0 HG CYS A 70 8.420 -5.399 -1.611 1.00 0.00 H new ATOM 1038 N ASP A 71 10.297 -8.188 0.591 1.00 0.00 N ATOM 1039 CA ASP A 71 11.615 -7.956 1.179 1.00 0.00 C ATOM 1040 C ASP A 71 12.234 -6.615 0.769 1.00 0.00 C ATOM 1041 O ASP A 71 12.852 -5.944 1.596 1.00 0.00 O ATOM 1042 CB ASP A 71 12.564 -9.113 0.851 1.00 0.00 C ATOM 1043 CG ASP A 71 12.781 -9.297 -0.641 1.00 0.00 C ATOM 1044 OD1 ASP A 71 12.321 -8.441 -1.422 1.00 0.00 O ATOM 1045 OD2 ASP A 71 13.416 -10.304 -1.025 1.00 0.00 O ATOM 0 H ASP A 71 10.296 -8.784 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 71 11.467 -7.908 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.525 -8.935 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.162 -10.035 1.271 1.00 0.00 H new ATOM 1050 N ALA A 72 12.087 -6.224 -0.491 1.00 0.00 N ATOM 1051 CA ALA A 72 12.657 -4.960 -0.958 1.00 0.00 C ATOM 1052 C ALA A 72 11.937 -3.765 -0.343 1.00 0.00 C ATOM 1053 O ALA A 72 12.569 -2.811 0.109 1.00 0.00 O ATOM 1054 CB ALA A 72 12.610 -4.885 -2.477 1.00 0.00 C ATOM 0 H ALA A 72 11.585 -6.755 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 72 13.698 -4.924 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 72 13.038 -3.939 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.183 -5.710 -2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.575 -4.953 -2.813 1.00 0.00 H new ATOM 1060 N CYS A 73 10.614 -3.830 -0.320 1.00 0.00 N ATOM 1061 CA CYS A 73 9.803 -2.763 0.247 1.00 0.00 C ATOM 1062 C CYS A 73 10.077 -2.626 1.737 1.00 0.00 C ATOM 1063 O CYS A 73 10.188 -1.517 2.258 1.00 0.00 O ATOM 1064 CB CYS A 73 8.323 -3.052 0.006 1.00 0.00 C ATOM 1065 SG CYS A 73 7.903 -3.255 -1.737 1.00 0.00 S ATOM 0 H CYS A 73 10.077 -4.615 -0.689 1.00 0.00 H new ATOM 0 HA CYS A 73 10.064 -1.824 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.045 -3.957 0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.730 -2.238 0.422 1.00 0.00 H new ATOM 0 HG CYS A 73 8.704 -2.534 -2.463 1.00 0.00 H new ATOM 1071 N TYR A 74 10.209 -3.756 2.415 1.00 0.00 N ATOM 1072 CA TYR A 74 10.497 -3.747 3.840 1.00 0.00 C ATOM 1073 C TYR A 74 11.784 -2.972 4.100 1.00 0.00 C ATOM 1074 O TYR A 74 11.878 -2.205 5.053 1.00 0.00 O ATOM 1075 CB TYR A 74 10.627 -5.181 4.361 1.00 0.00 C ATOM 1076 CG TYR A 74 10.919 -5.270 5.843 1.00 0.00 C ATOM 1077 CD1 TYR A 74 10.083 -4.668 6.775 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.029 -5.962 6.309 1.00 0.00 C ATOM 1079 CE1 TYR A 74 10.346 -4.753 8.129 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.300 -6.051 7.662 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.455 -5.445 8.568 1.00 0.00 C ATOM 1082 OH TYR A 74 11.719 -5.532 9.914 1.00 0.00 O ATOM 0 H TYR A 74 10.122 -4.685 2.004 1.00 0.00 H new ATOM 0 HA TYR A 74 9.677 -3.259 4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.703 -5.719 4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.422 -5.686 3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.213 -4.125 6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.692 -6.439 5.602 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.686 -4.279 8.840 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.169 -6.592 8.007 1.00 0.00 H new ATOM 0 HH TYR A 74 12.536 -6.055 10.054 1.00 0.00 H new ATOM 1092 N LEU A 75 12.768 -3.183 3.236 1.00 0.00 N ATOM 1093 CA LEU A 75 14.061 -2.516 3.351 1.00 0.00 C ATOM 1094 C LEU A 75 13.981 -1.017 3.060 1.00 0.00 C ATOM 1095 O LEU A 75 14.507 -0.203 3.819 1.00 0.00 O ATOM 1096 CB LEU A 75 15.062 -3.171 2.405 1.00 0.00 C ATOM 1097 CG LEU A 75 15.850 -4.338 3.002 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.408 -5.228 1.903 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.970 -3.821 3.893 1.00 0.00 C ATOM 0 H LEU A 75 12.695 -3.817 2.440 1.00 0.00 H new ATOM 0 HA LEU A 75 14.389 -2.625 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.527 -3.527 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.767 -2.413 2.065 1.00 0.00 H new ATOM 0 HG LEU A 75 15.171 -4.935 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.965 -6.052 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.588 -5.626 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.072 -4.645 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.521 -4.664 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.646 -3.201 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.546 -3.228 4.703 1.00 0.00 H new ATOM 1111 N ALA A 76 13.345 -0.656 1.950 1.00 0.00 N ATOM 1112 CA ALA A 76 13.232 0.751 1.558 1.00 0.00 C ATOM 1113 C ALA A 76 12.564 1.589 2.646 1.00 0.00 C ATOM 1114 O ALA A 76 13.022 2.687 2.960 1.00 0.00 O ATOM 1115 CB ALA A 76 12.467 0.876 0.250 1.00 0.00 C ATOM 0 H ALA A 76 12.901 -1.312 1.307 1.00 0.00 H new ATOM 0 HA ALA A 76 14.242 1.136 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.391 1.927 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.994 0.330 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.467 0.460 0.372 1.00 0.00 H new ATOM 1121 N LEU A 77 11.491 1.068 3.224 1.00 0.00 N ATOM 1122 CA LEU A 77 10.779 1.775 4.283 1.00 0.00 C ATOM 1123 C LEU A 77 11.658 1.907 5.524 1.00 0.00 C ATOM 1124 O LEU A 77 11.626 2.923 6.217 1.00 0.00 O ATOM 1125 CB LEU A 77 9.484 1.042 4.625 1.00 0.00 C ATOM 1126 CG LEU A 77 8.422 1.043 3.519 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.283 0.103 3.872 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.893 2.452 3.279 1.00 0.00 C ATOM 0 H LEU A 77 11.094 0.161 2.980 1.00 0.00 H new ATOM 0 HA LEU A 77 10.533 2.776 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.725 0.009 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.055 1.494 5.519 1.00 0.00 H new ATOM 0 HG LEU A 77 8.889 0.691 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.539 0.117 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.670 -0.909 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.821 0.425 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.141 2.429 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.445 2.834 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.714 3.103 2.978 1.00 0.00 H new ATOM 1140 N ARG A 78 12.444 0.874 5.789 1.00 0.00 N ATOM 1141 CA ARG A 78 13.345 0.855 6.939 1.00 0.00 C ATOM 1142 C ARG A 78 14.471 1.882 6.801 1.00 0.00 C ATOM 1143 O ARG A 78 15.231 2.110 7.742 1.00 0.00 O ATOM 1144 CB ARG A 78 13.956 -0.538 7.089 1.00 0.00 C ATOM 1145 CG ARG A 78 12.947 -1.608 7.467 1.00 0.00 C ATOM 1146 CD ARG A 78 13.548 -2.999 7.359 1.00 0.00 C ATOM 1147 NE ARG A 78 14.338 -3.350 8.536 1.00 0.00 N ATOM 1148 CZ ARG A 78 15.192 -4.367 8.574 1.00 0.00 C ATOM 1149 NH1 ARG A 78 15.359 -5.134 7.506 1.00 0.00 N ATOM 1150 NH2 ARG A 78 15.880 -4.619 9.680 1.00 0.00 N ATOM 0 H ARG A 78 12.478 0.029 5.219 1.00 0.00 H new ATOM 0 HA ARG A 78 12.758 1.112 7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.435 -0.818 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.737 -0.503 7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.599 -1.438 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.076 -1.535 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.749 -3.729 7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.178 -3.053 6.471 1.00 0.00 H new ATOM 0 HE ARG A 78 14.228 -2.782 9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.832 -4.944 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.015 -5.915 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.754 -4.031 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.535 -5.401 9.706 1.00 0.00 H new ATOM 1164 N SER A 79 14.572 2.494 5.625 1.00 0.00 N ATOM 1165 CA SER A 79 15.607 3.491 5.371 1.00 0.00 C ATOM 1166 C SER A 79 15.472 4.681 6.315 1.00 0.00 C ATOM 1167 O SER A 79 16.465 5.309 6.682 1.00 0.00 O ATOM 1168 CB SER A 79 15.537 3.971 3.919 1.00 0.00 C ATOM 1169 OG SER A 79 15.627 2.882 3.016 1.00 0.00 O ATOM 0 H SER A 79 13.952 2.318 4.835 1.00 0.00 H new ATOM 0 HA SER A 79 16.574 3.020 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.602 4.507 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.346 4.675 3.726 1.00 0.00 H new ATOM 0 HG SER A 79 14.743 2.700 2.634 1.00 0.00 H new ATOM 1175 N SER A 80 14.238 4.993 6.695 1.00 0.00 N ATOM 1176 CA SER A 80 13.978 6.115 7.586 1.00 0.00 C ATOM 1177 C SER A 80 14.975 6.139 8.739 1.00 0.00 C ATOM 1178 O SER A 80 15.256 5.112 9.354 1.00 0.00 O ATOM 1179 CB SER A 80 12.552 6.040 8.134 1.00 0.00 C ATOM 1180 OG SER A 80 12.207 7.230 8.823 1.00 0.00 O ATOM 0 H SER A 80 13.404 4.485 6.400 1.00 0.00 H new ATOM 0 HA SER A 80 14.092 7.034 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.852 5.875 7.315 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.462 5.187 8.807 1.00 0.00 H new ATOM 0 HG SER A 80 11.290 7.158 9.162 1.00 0.00 H new ATOM 1186 N ASN A 81 15.509 7.323 9.021 1.00 0.00 N ATOM 1187 CA ASN A 81 16.477 7.491 10.096 1.00 0.00 C ATOM 1188 C ASN A 81 15.779 7.817 11.412 1.00 0.00 C ATOM 1189 O ASN A 81 14.894 8.670 11.460 1.00 0.00 O ATOM 1190 CB ASN A 81 17.473 8.595 9.740 1.00 0.00 C ATOM 1191 CG ASN A 81 18.690 8.592 10.644 1.00 0.00 C ATOM 1192 OD1 ASN A 81 18.762 7.823 11.603 1.00 0.00 O ATOM 1193 ND2 ASN A 81 19.654 9.453 10.342 1.00 0.00 N ATOM 0 H ASN A 81 15.286 8.182 8.518 1.00 0.00 H new ATOM 0 HA ASN A 81 17.016 6.552 10.220 1.00 0.00 H new ATOM 0 HB2 ASN A 81 17.793 8.472 8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.977 9.563 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 81 20.497 9.496 10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 81 19.552 10.072 9.538 1.00 0.00 H new ATOM 1200 N MET A 82 16.182 7.130 12.475 1.00 0.00 N ATOM 1201 CA MET A 82 15.592 7.344 13.792 1.00 0.00 C ATOM 1202 C MET A 82 16.151 8.603 14.444 1.00 0.00 C ATOM 1203 O MET A 82 17.362 8.835 14.440 1.00 0.00 O ATOM 1204 CB MET A 82 15.851 6.134 14.690 1.00 0.00 C ATOM 1205 CG MET A 82 15.172 4.864 14.207 1.00 0.00 C ATOM 1206 SD MET A 82 15.376 3.487 15.353 1.00 0.00 S ATOM 1207 CE MET A 82 17.160 3.322 15.370 1.00 0.00 C ATOM 0 H MET A 82 16.914 6.420 12.451 1.00 0.00 H new ATOM 0 HA MET A 82 14.517 7.472 13.664 1.00 0.00 H new ATOM 0 HB2 MET A 82 16.925 5.961 14.752 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.506 6.360 15.699 1.00 0.00 H new ATOM 0 HG2 MET A 82 14.109 5.057 14.063 1.00 0.00 H new ATOM 0 HG3 MET A 82 15.580 4.586 13.235 1.00 0.00 H new ATOM 0 HE1 MET A 82 17.433 2.363 15.811 1.00 0.00 H new ATOM 0 HE2 MET A 82 17.540 3.373 14.350 1.00 0.00 H new ATOM 0 HE3 MET A 82 17.594 4.129 15.960 1.00 0.00 H new ATOM 1217 N ALA A 83 15.259 9.414 15.006 1.00 0.00 N ATOM 1218 CA ALA A 83 15.656 10.653 15.666 1.00 0.00 C ATOM 1219 C ALA A 83 16.538 10.375 16.877 1.00 0.00 C ATOM 1220 O ALA A 83 16.373 9.364 17.560 1.00 0.00 O ATOM 1221 CB ALA A 83 14.427 11.447 16.078 1.00 0.00 C ATOM 0 H ALA A 83 14.255 9.235 15.017 1.00 0.00 H new ATOM 0 HA ALA A 83 16.237 11.242 14.956 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.737 12.369 16.569 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.836 11.688 15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.825 10.854 16.766 1.00 0.00 H new ATOM 1227 N GLY A 84 17.476 11.279 17.140 1.00 0.00 N ATOM 1228 CA GLY A 84 18.369 11.115 18.269 1.00 0.00 C ATOM 1229 C GLY A 84 19.776 11.590 17.969 1.00 0.00 C ATOM 1230 O GLY A 84 20.451 12.077 18.900 1.00 0.00 O ATOM 1231 OXT GLY A 84 20.205 11.473 16.802 1.00 0.00 O ATOM 0 H GLY A 84 17.633 12.123 16.589 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.976 11.668 19.122 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.397 10.064 18.556 1.00 0.00 H new TER 1235 GLY A 84