USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.14) USER MOD Single : A 3 SER OG : rot 44:sc= 0.123 USER MOD Single : A 6 GLN : amide:sc= -0.965 X(o=-0.97,f=-0.66) USER MOD Single : A 8 HIS : no HD1:sc= -0.0071 X(o=-0.0071,f=-0.49) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.145) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -0.153 (180deg=-0.525) USER MOD Single : A 21 SER OG : rot -150:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 28 SER OG : rot 46:sc= 1.01 USER MOD Single : A 36 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.073) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -0.0066 X(o=-0.0066,f=-0.0066) USER MOD Single : A 66 TYR OH : rot -144:sc= 1.38 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.172 3.908 -9.467 1.00 0.00 N ATOM 2 CA MET A 1 8.063 3.382 -10.255 1.00 0.00 C ATOM 3 C MET A 1 8.253 1.894 -10.535 1.00 0.00 C ATOM 4 O MET A 1 7.958 1.416 -11.630 1.00 0.00 O ATOM 5 CB MET A 1 7.937 4.149 -11.572 1.00 0.00 C ATOM 6 CG MET A 1 6.574 4.006 -12.230 1.00 0.00 C ATOM 7 SD MET A 1 6.141 5.430 -13.248 1.00 0.00 S ATOM 8 CE MET A 1 4.789 4.759 -14.212 1.00 0.00 C ATOM 0 H1 MET A 1 9.111 4.946 -9.432 1.00 0.00 H new ATOM 0 H2 MET A 1 9.124 3.525 -8.501 1.00 0.00 H new ATOM 0 H3 MET A 1 10.073 3.628 -9.905 1.00 0.00 H new ATOM 0 HA MET A 1 7.147 3.511 -9.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.134 5.205 -11.388 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.704 3.797 -12.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.565 3.107 -12.847 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.815 3.871 -11.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.413 5.523 -14.892 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.142 3.903 -14.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.988 4.442 -13.544 1.00 0.00 H new ATOM 18 N VAL A 2 8.748 1.167 -9.538 1.00 0.00 N ATOM 19 CA VAL A 2 8.976 -0.266 -9.677 1.00 0.00 C ATOM 20 C VAL A 2 9.374 -0.891 -8.345 1.00 0.00 C ATOM 21 O VAL A 2 10.276 -0.404 -7.664 1.00 0.00 O ATOM 22 CB VAL A 2 10.073 -0.561 -10.718 1.00 0.00 C ATOM 23 CG1 VAL A 2 11.384 0.095 -10.313 1.00 0.00 C ATOM 24 CG2 VAL A 2 10.249 -2.062 -10.894 1.00 0.00 C ATOM 0 H VAL A 2 8.999 1.547 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 2 8.037 -0.705 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 2 9.765 -0.140 -11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.147 -0.124 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.245 1.174 -10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.702 -0.294 -9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.027 -2.253 -11.633 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.535 -2.509 -9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.311 -2.501 -11.234 1.00 0.00 H new ATOM 34 N SER A 3 8.696 -1.974 -7.979 1.00 0.00 N ATOM 35 CA SER A 3 8.976 -2.665 -6.726 1.00 0.00 C ATOM 36 C SER A 3 10.106 -3.674 -6.903 1.00 0.00 C ATOM 37 O SER A 3 9.965 -4.659 -7.629 1.00 0.00 O ATOM 38 CB SER A 3 7.719 -3.373 -6.217 1.00 0.00 C ATOM 39 OG SER A 3 7.078 -4.085 -7.261 1.00 0.00 O ATOM 0 H SER A 3 7.948 -2.392 -8.533 1.00 0.00 H new ATOM 0 HA SER A 3 9.288 -1.922 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.985 -4.060 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.030 -2.641 -5.796 1.00 0.00 H new ATOM 0 HG SER A 3 7.749 -4.566 -7.789 1.00 0.00 H new ATOM 45 N ARG A 4 11.227 -3.422 -6.235 1.00 0.00 N ATOM 46 CA ARG A 4 12.382 -4.307 -6.319 1.00 0.00 C ATOM 47 C ARG A 4 12.203 -5.522 -5.413 1.00 0.00 C ATOM 48 O ARG A 4 12.558 -6.641 -5.782 1.00 0.00 O ATOM 49 CB ARG A 4 13.657 -3.554 -5.935 1.00 0.00 C ATOM 50 CG ARG A 4 14.160 -2.615 -7.019 1.00 0.00 C ATOM 51 CD ARG A 4 15.342 -1.789 -6.536 1.00 0.00 C ATOM 52 NE ARG A 4 14.947 -0.799 -5.538 1.00 0.00 N ATOM 53 CZ ARG A 4 15.756 0.152 -5.085 1.00 0.00 C ATOM 54 NH1 ARG A 4 16.999 0.241 -5.539 1.00 0.00 N ATOM 55 NH2 ARG A 4 15.323 1.016 -4.176 1.00 0.00 N ATOM 0 H ARG A 4 11.360 -2.612 -5.630 1.00 0.00 H new ATOM 0 HA ARG A 4 12.469 -4.653 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 4 13.470 -2.980 -5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 4 14.439 -4.276 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 4 14.453 -3.193 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.353 -1.951 -7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 4 16.097 -2.451 -6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 4 15.802 -1.284 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 4 13.997 -0.840 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 4 17.335 -0.422 -6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 4 17.618 0.972 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.368 0.950 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 4 15.945 1.746 -3.829 1.00 0.00 H new ATOM 69 N ASP A 5 11.652 -5.292 -4.226 1.00 0.00 N ATOM 70 CA ASP A 5 11.426 -6.367 -3.267 1.00 0.00 C ATOM 71 C ASP A 5 9.940 -6.694 -3.158 1.00 0.00 C ATOM 72 O ASP A 5 9.088 -5.864 -3.473 1.00 0.00 O ATOM 73 CB ASP A 5 11.977 -5.979 -1.894 1.00 0.00 C ATOM 74 CG ASP A 5 13.474 -5.739 -1.918 1.00 0.00 C ATOM 75 OD1 ASP A 5 14.123 -6.134 -2.909 1.00 0.00 O ATOM 76 OD2 ASP A 5 13.996 -5.155 -0.945 1.00 0.00 O ATOM 0 H ASP A 5 11.354 -4.371 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 5 11.950 -7.254 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.473 -5.078 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.750 -6.769 -1.178 1.00 0.00 H new ATOM 81 N GLN A 6 9.638 -7.910 -2.713 1.00 0.00 N ATOM 82 CA GLN A 6 8.255 -8.346 -2.565 1.00 0.00 C ATOM 83 C GLN A 6 7.504 -8.234 -3.888 1.00 0.00 C ATOM 84 O GLN A 6 6.369 -7.760 -3.930 1.00 0.00 O ATOM 85 CB GLN A 6 7.548 -7.517 -1.491 1.00 0.00 C ATOM 86 CG GLN A 6 6.436 -8.268 -0.777 1.00 0.00 C ATOM 87 CD GLN A 6 5.091 -8.105 -1.457 1.00 0.00 C ATOM 88 OE1 GLN A 6 4.595 -9.027 -2.107 1.00 0.00 O ATOM 89 NE2 GLN A 6 4.492 -6.929 -1.312 1.00 0.00 N ATOM 0 H GLN A 6 10.332 -8.609 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 6 8.261 -9.392 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.282 -7.187 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.133 -6.620 -1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.690 -9.327 -0.731 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.365 -7.912 0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.939 -6.193 -0.765 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.585 -6.761 -1.748 1.00 0.00 H new ATOM 98 N ALA A 7 8.146 -8.672 -4.966 1.00 0.00 N ATOM 99 CA ALA A 7 7.538 -8.622 -6.290 1.00 0.00 C ATOM 100 C ALA A 7 6.603 -9.807 -6.510 1.00 0.00 C ATOM 101 O ALA A 7 5.524 -9.661 -7.086 1.00 0.00 O ATOM 102 CB ALA A 7 8.615 -8.590 -7.364 1.00 0.00 C ATOM 0 H ALA A 7 9.087 -9.065 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 7 6.946 -7.709 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.147 -8.553 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.240 -7.708 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.231 -9.486 -7.289 1.00 0.00 H new ATOM 108 N HIS A 8 7.024 -10.980 -6.049 1.00 0.00 N ATOM 109 CA HIS A 8 6.223 -12.191 -6.196 1.00 0.00 C ATOM 110 C HIS A 8 5.818 -12.743 -4.832 1.00 0.00 C ATOM 111 O HIS A 8 4.795 -13.416 -4.703 1.00 0.00 O ATOM 112 CB HIS A 8 7.001 -13.250 -6.977 1.00 0.00 C ATOM 113 CG HIS A 8 8.345 -13.558 -6.393 1.00 0.00 C ATOM 114 ND1 HIS A 8 9.460 -12.777 -6.616 1.00 0.00 N ATOM 115 CD2 HIS A 8 8.751 -14.568 -5.589 1.00 0.00 C ATOM 116 CE1 HIS A 8 10.493 -13.294 -5.976 1.00 0.00 C ATOM 117 NE2 HIS A 8 10.089 -14.382 -5.345 1.00 0.00 N ATOM 0 H HIS A 8 7.914 -11.118 -5.571 1.00 0.00 H new ATOM 0 HA HIS A 8 5.319 -11.935 -6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.412 -14.166 -7.016 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.130 -12.910 -8.005 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.137 -15.371 -5.210 1.00 0.00 H new ATOM 0 HE1 HIS A 8 11.497 -12.895 -5.970 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.676 -14.986 -4.770 1.00 0.00 H new ATOM 125 N LEU A 9 6.627 -12.454 -3.818 1.00 0.00 N ATOM 126 CA LEU A 9 6.353 -12.923 -2.464 1.00 0.00 C ATOM 127 C LEU A 9 4.940 -12.543 -2.032 1.00 0.00 C ATOM 128 O LEU A 9 4.294 -11.703 -2.656 1.00 0.00 O ATOM 129 CB LEU A 9 7.373 -12.338 -1.485 1.00 0.00 C ATOM 130 CG LEU A 9 8.816 -12.814 -1.656 1.00 0.00 C ATOM 131 CD1 LEU A 9 9.771 -11.905 -0.898 1.00 0.00 C ATOM 132 CD2 LEU A 9 8.962 -14.254 -1.188 1.00 0.00 C ATOM 0 H LEU A 9 7.477 -11.898 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 9 6.435 -14.010 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.356 -11.252 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.051 -12.575 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 9 9.070 -12.771 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.793 -12.259 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.686 -10.888 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.519 -11.915 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.995 -14.576 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.689 -14.324 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.306 -14.896 -1.776 1.00 0.00 H new ATOM 144 N GLY A 10 4.468 -13.166 -0.956 1.00 0.00 N ATOM 145 CA GLY A 10 3.136 -12.878 -0.457 1.00 0.00 C ATOM 146 C GLY A 10 3.078 -11.582 0.326 1.00 0.00 C ATOM 147 O GLY A 10 4.093 -10.924 0.555 1.00 0.00 O ATOM 0 H GLY A 10 4.984 -13.865 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.441 -12.824 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.804 -13.699 0.179 1.00 0.00 H new ATOM 151 N PRO A 11 1.866 -11.196 0.751 1.00 0.00 N ATOM 152 CA PRO A 11 1.650 -9.966 1.519 1.00 0.00 C ATOM 153 C PRO A 11 2.224 -10.055 2.929 1.00 0.00 C ATOM 154 O PRO A 11 2.877 -11.036 3.284 1.00 0.00 O ATOM 155 CB PRO A 11 0.125 -9.842 1.569 1.00 0.00 C ATOM 156 CG PRO A 11 -0.374 -11.237 1.414 1.00 0.00 C ATOM 157 CD PRO A 11 0.612 -11.932 0.515 1.00 0.00 C ATOM 0 HA PRO A 11 2.146 -9.109 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.206 -9.406 2.511 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.246 -9.198 0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.441 -11.737 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.374 -11.248 0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.712 -12.988 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.307 -11.882 -0.530 1.00 0.00 H new ATOM 165 N LYS A 12 1.976 -9.024 3.729 1.00 0.00 N ATOM 166 CA LYS A 12 2.467 -8.985 5.102 1.00 0.00 C ATOM 167 C LYS A 12 1.469 -9.637 6.055 1.00 0.00 C ATOM 168 O LYS A 12 0.320 -9.885 5.691 1.00 0.00 O ATOM 169 CB LYS A 12 2.728 -7.540 5.532 1.00 0.00 C ATOM 170 CG LYS A 12 4.056 -6.990 5.041 1.00 0.00 C ATOM 171 CD LYS A 12 5.228 -7.764 5.620 1.00 0.00 C ATOM 172 CE LYS A 12 6.538 -7.014 5.433 1.00 0.00 C ATOM 173 NZ LYS A 12 7.235 -7.420 4.180 1.00 0.00 N ATOM 0 H LYS A 12 1.438 -8.204 3.450 1.00 0.00 H new ATOM 0 HA LYS A 12 3.402 -9.544 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.922 -6.908 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.701 -7.483 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.090 -7.037 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.140 -5.939 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.058 -7.943 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.294 -8.740 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.343 -5.942 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.189 -7.200 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.829 -6.636 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.832 -8.251 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.531 -7.658 3.452 1.00 0.00 H new ATOM 187 N TYR A 13 1.917 -9.911 7.275 1.00 0.00 N ATOM 188 CA TYR A 13 1.064 -10.536 8.279 1.00 0.00 C ATOM 189 C TYR A 13 0.828 -9.593 9.456 1.00 0.00 C ATOM 190 O TYR A 13 1.758 -8.962 9.957 1.00 0.00 O ATOM 191 CB TYR A 13 1.693 -11.839 8.774 1.00 0.00 C ATOM 192 CG TYR A 13 1.388 -13.030 7.895 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.124 -13.607 7.885 1.00 0.00 C ATOM 194 CD2 TYR A 13 2.364 -13.579 7.072 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.158 -14.696 7.084 1.00 0.00 C ATOM 196 CE2 TYR A 13 2.091 -14.667 6.266 1.00 0.00 C ATOM 197 CZ TYR A 13 0.828 -15.222 6.276 1.00 0.00 C ATOM 198 OH TYR A 13 0.551 -16.306 5.475 1.00 0.00 O ATOM 0 H TYR A 13 2.865 -9.710 7.593 1.00 0.00 H new ATOM 0 HA TYR A 13 0.103 -10.758 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.774 -11.711 8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.338 -12.043 9.784 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.652 -13.197 8.515 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.354 -13.147 7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.145 -15.133 7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.861 -15.081 5.632 1.00 0.00 H new ATOM 0 HH TYR A 13 1.353 -16.552 4.968 1.00 0.00 H new ATOM 208 N VAL A 14 -0.425 -9.503 9.891 1.00 0.00 N ATOM 209 CA VAL A 14 -0.786 -8.640 11.009 1.00 0.00 C ATOM 210 C VAL A 14 -1.852 -9.290 11.884 1.00 0.00 C ATOM 211 O VAL A 14 -2.827 -9.847 11.382 1.00 0.00 O ATOM 212 CB VAL A 14 -1.302 -7.274 10.520 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.104 -6.583 11.612 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.143 -6.399 10.065 1.00 0.00 C ATOM 0 H VAL A 14 -1.207 -10.017 9.486 1.00 0.00 H new ATOM 0 HA VAL A 14 0.119 -8.489 11.597 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.961 -7.439 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.460 -5.619 11.248 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.956 -7.205 11.886 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.471 -6.429 12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.526 -5.437 9.723 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.542 -6.241 10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.385 -6.891 9.248 1.00 0.00 H new ATOM 224 N GLY A 15 -1.659 -9.214 13.198 1.00 0.00 N ATOM 225 CA GLY A 15 -2.612 -9.798 14.122 1.00 0.00 C ATOM 226 C GLY A 15 -1.956 -10.738 15.115 1.00 0.00 C ATOM 227 O GLY A 15 -2.476 -11.819 15.395 1.00 0.00 O ATOM 0 H GLY A 15 -0.860 -8.758 13.638 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.123 -9.002 14.663 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.372 -10.341 13.560 1.00 0.00 H new ATOM 231 N LEU A 16 -0.811 -10.326 15.648 1.00 0.00 N ATOM 232 CA LEU A 16 -0.081 -11.140 16.614 1.00 0.00 C ATOM 233 C LEU A 16 -0.399 -10.706 18.042 1.00 0.00 C ATOM 234 O LEU A 16 -1.121 -11.394 18.763 1.00 0.00 O ATOM 235 CB LEU A 16 1.424 -11.039 16.362 1.00 0.00 C ATOM 236 CG LEU A 16 2.298 -12.054 17.101 1.00 0.00 C ATOM 237 CD1 LEU A 16 1.694 -13.446 17.007 1.00 0.00 C ATOM 238 CD2 LEU A 16 3.713 -12.045 16.542 1.00 0.00 C ATOM 0 H LEU A 16 -0.368 -9.434 15.428 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.395 -12.176 16.490 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.601 -11.148 15.292 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.752 -10.037 16.639 1.00 0.00 H new ATOM 0 HG LEU A 16 2.342 -11.770 18.152 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.329 -14.155 17.538 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.700 -13.442 17.455 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.619 -13.740 15.960 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.321 -12.773 17.079 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.688 -12.304 15.484 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.145 -11.052 16.662 1.00 0.00 H new ATOM 250 N TRP A 17 0.142 -9.561 18.440 1.00 0.00 N ATOM 251 CA TRP A 17 -0.086 -9.034 19.781 1.00 0.00 C ATOM 252 C TRP A 17 0.648 -7.712 19.979 1.00 0.00 C ATOM 253 O TRP A 17 1.375 -7.257 19.095 1.00 0.00 O ATOM 254 CB TRP A 17 0.369 -10.047 20.834 1.00 0.00 C ATOM 255 CG TRP A 17 -0.495 -10.059 22.058 1.00 0.00 C ATOM 256 CD1 TRP A 17 -0.078 -9.969 23.356 1.00 0.00 C ATOM 257 CD2 TRP A 17 -1.921 -10.170 22.099 1.00 0.00 C ATOM 258 NE1 TRP A 17 -1.161 -10.018 24.201 1.00 0.00 N ATOM 259 CE2 TRP A 17 -2.303 -10.140 23.455 1.00 0.00 C ATOM 260 CE3 TRP A 17 -2.914 -10.290 21.123 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -3.633 -10.227 23.856 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -4.234 -10.376 21.522 1.00 0.00 C ATOM 263 CH2 TRP A 17 -4.584 -10.343 22.879 1.00 0.00 C ATOM 0 H TRP A 17 0.741 -8.980 17.854 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.155 -8.855 19.897 1.00 0.00 H new ATOM 0 HB2 TRP A 17 0.374 -11.043 20.391 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.395 -9.822 21.124 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.950 -9.873 23.671 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.121 -9.971 25.219 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -2.654 -10.315 20.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -3.905 -10.204 24.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.009 -10.470 20.776 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -5.625 -10.410 23.159 1.00 0.00 H new ATOM 274 N ASP A 18 0.455 -7.101 21.142 1.00 0.00 N ATOM 275 CA ASP A 18 1.100 -5.832 21.456 1.00 0.00 C ATOM 276 C ASP A 18 1.948 -5.951 22.718 1.00 0.00 C ATOM 277 O ASP A 18 1.602 -5.404 23.766 1.00 0.00 O ATOM 278 CB ASP A 18 0.052 -4.732 21.632 1.00 0.00 C ATOM 279 CG ASP A 18 0.648 -3.342 21.527 1.00 0.00 C ATOM 280 OD1 ASP A 18 1.643 -3.068 22.230 1.00 0.00 O ATOM 281 OD2 ASP A 18 0.119 -2.528 20.741 1.00 0.00 O ATOM 0 H ASP A 18 -0.144 -7.464 21.884 1.00 0.00 H new ATOM 0 HA ASP A 18 1.754 -5.570 20.624 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.724 -4.849 20.876 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.430 -4.845 22.603 1.00 0.00 H new ATOM 286 N PHE A 19 3.061 -6.670 22.612 1.00 0.00 N ATOM 287 CA PHE A 19 3.958 -6.863 23.746 1.00 0.00 C ATOM 288 C PHE A 19 5.406 -6.983 23.279 1.00 0.00 C ATOM 289 O PHE A 19 5.692 -7.612 22.260 1.00 0.00 O ATOM 290 CB PHE A 19 3.558 -8.112 24.533 1.00 0.00 C ATOM 291 CG PHE A 19 2.994 -7.810 25.892 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.833 -7.620 26.978 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.625 -7.714 26.083 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.316 -7.343 28.230 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.102 -7.436 27.332 1.00 0.00 C ATOM 296 CZ PHE A 19 1.950 -7.249 28.407 1.00 0.00 C ATOM 0 H PHE A 19 3.363 -7.129 21.753 1.00 0.00 H new ATOM 0 HA PHE A 19 3.875 -5.992 24.396 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.820 -8.673 23.959 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.430 -8.756 24.645 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.903 -7.689 26.845 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.958 -7.858 25.246 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.981 -7.200 29.069 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.033 -7.365 27.467 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.545 -7.030 29.384 1.00 0.00 H new ATOM 306 N LYS A 20 6.316 -6.376 24.032 1.00 0.00 N ATOM 307 CA LYS A 20 7.735 -6.414 23.699 1.00 0.00 C ATOM 308 C LYS A 20 8.474 -7.417 24.579 1.00 0.00 C ATOM 309 O LYS A 20 8.794 -7.128 25.732 1.00 0.00 O ATOM 310 CB LYS A 20 8.355 -5.024 23.860 1.00 0.00 C ATOM 311 CG LYS A 20 7.586 -3.928 23.144 1.00 0.00 C ATOM 312 CD LYS A 20 7.793 -3.991 21.640 1.00 0.00 C ATOM 313 CE LYS A 20 8.663 -2.845 21.149 1.00 0.00 C ATOM 314 NZ LYS A 20 8.041 -1.520 21.421 1.00 0.00 N ATOM 0 H LYS A 20 6.096 -5.851 24.878 1.00 0.00 H new ATOM 0 HA LYS A 20 7.830 -6.730 22.660 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.413 -4.782 24.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.377 -5.045 23.482 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.524 -4.021 23.370 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.907 -2.955 23.516 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.257 -4.941 21.375 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.827 -3.957 21.137 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.638 -2.895 21.635 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.835 -2.953 20.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.364 -0.832 20.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.006 -1.606 21.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.318 -1.194 22.369 1.00 0.00 H new ATOM 328 N SER A 21 8.743 -8.596 24.027 1.00 0.00 N ATOM 329 CA SER A 21 9.442 -9.643 24.763 1.00 0.00 C ATOM 330 C SER A 21 10.947 -9.562 24.524 1.00 0.00 C ATOM 331 O SER A 21 11.416 -8.765 23.711 1.00 0.00 O ATOM 332 CB SER A 21 8.922 -11.021 24.349 1.00 0.00 C ATOM 333 OG SER A 21 7.586 -11.212 24.779 1.00 0.00 O ATOM 0 H SER A 21 8.487 -8.850 23.073 1.00 0.00 H new ATOM 0 HA SER A 21 9.252 -9.495 25.826 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.977 -11.123 23.265 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.559 -11.796 24.775 1.00 0.00 H new ATOM 0 HG SER A 21 7.430 -12.164 24.949 1.00 0.00 H new ATOM 339 N ARG A 22 11.699 -10.392 25.240 1.00 0.00 N ATOM 340 CA ARG A 22 13.151 -10.414 25.108 1.00 0.00 C ATOM 341 C ARG A 22 13.627 -11.762 24.575 1.00 0.00 C ATOM 342 O ARG A 22 14.744 -11.883 24.070 1.00 0.00 O ATOM 343 CB ARG A 22 13.811 -10.124 26.457 1.00 0.00 C ATOM 344 CG ARG A 22 13.457 -8.761 27.028 1.00 0.00 C ATOM 345 CD ARG A 22 13.501 -8.766 28.548 1.00 0.00 C ATOM 346 NE ARG A 22 14.804 -8.349 29.059 1.00 0.00 N ATOM 347 CZ ARG A 22 15.187 -8.517 30.320 1.00 0.00 C ATOM 348 NH1 ARG A 22 14.371 -9.091 31.194 1.00 0.00 N ATOM 349 NH2 ARG A 22 16.389 -8.111 30.710 1.00 0.00 N ATOM 0 H ARG A 22 11.327 -11.058 25.917 1.00 0.00 H new ATOM 0 HA ARG A 22 13.439 -9.640 24.397 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.516 -10.895 27.169 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.893 -10.191 26.344 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.152 -8.013 26.645 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.461 -8.472 26.693 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.730 -8.100 28.935 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.271 -9.767 28.914 1.00 0.00 H new ATOM 0 HE ARG A 22 15.456 -7.904 28.412 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.447 -9.405 30.899 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.668 -9.219 32.161 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.020 -7.669 30.041 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.682 -8.241 31.678 1.00 0.00 H new ATOM 363 N THR A 23 12.773 -12.774 24.691 1.00 0.00 N ATOM 364 CA THR A 23 13.107 -14.114 24.223 1.00 0.00 C ATOM 365 C THR A 23 12.782 -14.276 22.742 1.00 0.00 C ATOM 366 O THR A 23 11.980 -13.524 22.187 1.00 0.00 O ATOM 367 CB THR A 23 12.353 -15.192 25.023 1.00 0.00 C ATOM 368 OG1 THR A 23 11.064 -14.705 25.409 1.00 0.00 O ATOM 369 CG2 THR A 23 13.140 -15.596 26.261 1.00 0.00 C ATOM 0 H THR A 23 11.845 -12.691 25.105 1.00 0.00 H new ATOM 0 HA THR A 23 14.179 -14.243 24.373 1.00 0.00 H new ATOM 0 HB THR A 23 12.233 -16.068 24.386 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.591 -15.398 25.916 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.588 -16.358 26.810 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.109 -15.995 25.962 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.287 -14.725 26.899 1.00 0.00 H new ATOM 377 N ASP A 24 13.408 -15.261 22.108 1.00 0.00 N ATOM 378 CA ASP A 24 13.184 -15.523 20.691 1.00 0.00 C ATOM 379 C ASP A 24 11.789 -16.095 20.459 1.00 0.00 C ATOM 380 O ASP A 24 11.155 -15.816 19.442 1.00 0.00 O ATOM 381 CB ASP A 24 14.241 -16.490 20.156 1.00 0.00 C ATOM 382 CG ASP A 24 15.595 -15.830 19.985 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.826 -15.217 18.922 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.423 -15.926 20.914 1.00 0.00 O ATOM 0 H ASP A 24 14.075 -15.892 22.553 1.00 0.00 H new ATOM 0 HA ASP A 24 13.264 -14.578 20.154 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.335 -17.335 20.838 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.911 -16.890 19.197 1.00 0.00 H new ATOM 389 N GLU A 25 11.317 -16.897 21.409 1.00 0.00 N ATOM 390 CA GLU A 25 9.998 -17.509 21.305 1.00 0.00 C ATOM 391 C GLU A 25 8.934 -16.460 20.998 1.00 0.00 C ATOM 392 O GLU A 25 7.932 -16.751 20.345 1.00 0.00 O ATOM 393 CB GLU A 25 9.648 -18.242 22.602 1.00 0.00 C ATOM 394 CG GLU A 25 9.213 -17.316 23.725 1.00 0.00 C ATOM 395 CD GLU A 25 9.143 -18.019 25.067 1.00 0.00 C ATOM 396 OE1 GLU A 25 10.179 -18.557 25.511 1.00 0.00 O ATOM 397 OE2 GLU A 25 8.051 -18.032 25.674 1.00 0.00 O ATOM 0 H GLU A 25 11.828 -17.138 22.258 1.00 0.00 H new ATOM 0 HA GLU A 25 10.022 -18.227 20.485 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.850 -18.957 22.402 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.515 -18.816 22.930 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.910 -16.481 23.793 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.235 -16.897 23.487 1.00 0.00 H new ATOM 404 N GLU A 26 9.160 -15.239 21.474 1.00 0.00 N ATOM 405 CA GLU A 26 8.219 -14.147 21.251 1.00 0.00 C ATOM 406 C GLU A 26 8.883 -13.005 20.487 1.00 0.00 C ATOM 407 O GLU A 26 10.107 -12.863 20.500 1.00 0.00 O ATOM 408 CB GLU A 26 7.674 -13.635 22.585 1.00 0.00 C ATOM 409 CG GLU A 26 6.614 -14.536 23.196 1.00 0.00 C ATOM 410 CD GLU A 26 5.489 -13.756 23.848 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.872 -12.918 23.158 1.00 0.00 O ATOM 412 OE2 GLU A 26 5.227 -13.982 25.048 1.00 0.00 O ATOM 0 H GLU A 26 9.985 -14.982 22.016 1.00 0.00 H new ATOM 0 HA GLU A 26 7.392 -14.529 20.652 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.500 -13.531 23.289 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.253 -12.641 22.438 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.201 -15.182 22.421 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.078 -15.185 23.938 1.00 0.00 H new ATOM 419 N LEU A 27 8.068 -12.193 19.823 1.00 0.00 N ATOM 420 CA LEU A 27 8.575 -11.063 19.053 1.00 0.00 C ATOM 421 C LEU A 27 8.485 -9.771 19.858 1.00 0.00 C ATOM 422 O LEU A 27 7.491 -9.521 20.540 1.00 0.00 O ATOM 423 CB LEU A 27 7.793 -10.918 17.746 1.00 0.00 C ATOM 424 CG LEU A 27 7.986 -12.037 16.721 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.999 -13.166 16.972 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.833 -11.496 15.307 1.00 0.00 C ATOM 0 H LEU A 27 7.053 -12.296 19.802 1.00 0.00 H new ATOM 0 HA LEU A 27 9.623 -11.254 18.823 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.732 -10.851 17.986 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.074 -9.973 17.280 1.00 0.00 H new ATOM 0 HG LEU A 27 8.995 -12.434 16.829 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.151 -13.953 16.233 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.156 -13.571 17.972 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.981 -12.784 16.891 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.973 -12.305 14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.836 -11.073 15.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.580 -10.722 15.131 1.00 0.00 H new ATOM 438 N SER A 28 9.528 -8.952 19.773 1.00 0.00 N ATOM 439 CA SER A 28 9.567 -7.686 20.495 1.00 0.00 C ATOM 440 C SER A 28 8.997 -6.556 19.643 1.00 0.00 C ATOM 441 O SER A 28 9.740 -5.747 19.086 1.00 0.00 O ATOM 442 CB SER A 28 11.003 -7.354 20.908 1.00 0.00 C ATOM 443 OG SER A 28 11.826 -7.152 19.772 1.00 0.00 O ATOM 0 H SER A 28 10.358 -9.143 19.211 1.00 0.00 H new ATOM 0 HA SER A 28 8.953 -7.788 21.390 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.008 -6.458 21.529 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.407 -8.165 21.514 1.00 0.00 H new ATOM 0 HG SER A 28 11.361 -6.577 19.129 1.00 0.00 H new ATOM 449 N PHE A 29 7.673 -6.507 19.545 1.00 0.00 N ATOM 450 CA PHE A 29 7.001 -5.478 18.760 1.00 0.00 C ATOM 451 C PHE A 29 5.545 -5.330 19.190 1.00 0.00 C ATOM 452 O PHE A 29 4.995 -6.198 19.869 1.00 0.00 O ATOM 453 CB PHE A 29 7.073 -5.816 17.270 1.00 0.00 C ATOM 454 CG PHE A 29 6.014 -6.783 16.822 1.00 0.00 C ATOM 455 CD1 PHE A 29 5.928 -8.046 17.386 1.00 0.00 C ATOM 456 CD2 PHE A 29 5.105 -6.429 15.838 1.00 0.00 C ATOM 457 CE1 PHE A 29 4.955 -8.938 16.977 1.00 0.00 C ATOM 458 CE2 PHE A 29 4.130 -7.317 15.426 1.00 0.00 C ATOM 459 CZ PHE A 29 4.055 -8.573 15.995 1.00 0.00 C ATOM 0 H PHE A 29 7.043 -7.168 20.000 1.00 0.00 H new ATOM 0 HA PHE A 29 7.511 -4.531 18.936 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.982 -4.896 16.692 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.054 -6.236 17.048 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.630 -8.336 18.154 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.159 -5.449 15.388 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.898 -9.919 17.425 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.426 -7.029 14.659 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.294 -9.268 15.673 1.00 0.00 H new ATOM 469 N ARG A 30 4.925 -4.225 18.790 1.00 0.00 N ATOM 470 CA ARG A 30 3.533 -3.961 19.134 1.00 0.00 C ATOM 471 C ARG A 30 2.602 -4.396 18.007 1.00 0.00 C ATOM 472 O ARG A 30 3.028 -4.553 16.863 1.00 0.00 O ATOM 473 CB ARG A 30 3.332 -2.474 19.431 1.00 0.00 C ATOM 474 CG ARG A 30 3.307 -1.602 18.186 1.00 0.00 C ATOM 475 CD ARG A 30 3.518 -0.136 18.529 1.00 0.00 C ATOM 476 NE ARG A 30 4.807 0.096 19.174 1.00 0.00 N ATOM 477 CZ ARG A 30 5.082 1.174 19.900 1.00 0.00 C ATOM 478 NH1 ARG A 30 4.163 2.113 20.074 1.00 0.00 N ATOM 479 NH2 ARG A 30 6.280 1.313 20.456 1.00 0.00 N ATOM 0 H ARG A 30 5.365 -3.497 18.227 1.00 0.00 H new ATOM 0 HA ARG A 30 3.290 -4.539 20.026 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.396 -2.344 19.974 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.132 -2.132 20.088 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.083 -1.930 17.495 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.352 -1.723 17.674 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.455 0.462 17.620 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.717 0.201 19.188 1.00 0.00 H new ATOM 0 HE ARG A 30 5.536 -0.608 19.061 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.241 2.009 19.650 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.378 2.939 20.632 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.989 0.592 20.326 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.491 2.141 21.013 1.00 0.00 H new ATOM 493 N ALA A 31 1.330 -4.590 18.338 1.00 0.00 N ATOM 494 CA ALA A 31 0.339 -5.006 17.354 1.00 0.00 C ATOM 495 C ALA A 31 0.123 -3.923 16.301 1.00 0.00 C ATOM 496 O ALA A 31 0.263 -2.734 16.583 1.00 0.00 O ATOM 497 CB ALA A 31 -0.976 -5.347 18.040 1.00 0.00 C ATOM 0 H ALA A 31 0.961 -4.466 19.281 1.00 0.00 H new ATOM 0 HA ALA A 31 0.715 -5.897 16.851 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.707 -5.656 17.293 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.816 -6.159 18.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.348 -4.470 18.570 1.00 0.00 H new ATOM 503 N GLY A 32 -0.219 -4.344 15.087 1.00 0.00 N ATOM 504 CA GLY A 32 -0.447 -3.397 14.011 1.00 0.00 C ATOM 505 C GLY A 32 0.704 -3.350 13.026 1.00 0.00 C ATOM 506 O GLY A 32 0.529 -2.951 11.875 1.00 0.00 O ATOM 0 H GLY A 32 -0.342 -5.323 14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.362 -3.665 13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.601 -2.404 14.432 1.00 0.00 H new ATOM 510 N ASP A 33 1.885 -3.756 13.479 1.00 0.00 N ATOM 511 CA ASP A 33 3.071 -3.758 12.630 1.00 0.00 C ATOM 512 C ASP A 33 3.000 -4.881 11.600 1.00 0.00 C ATOM 513 O ASP A 33 2.333 -5.893 11.815 1.00 0.00 O ATOM 514 CB ASP A 33 4.333 -3.908 13.480 1.00 0.00 C ATOM 515 CG ASP A 33 5.499 -3.111 12.930 1.00 0.00 C ATOM 516 OD1 ASP A 33 5.575 -1.896 13.213 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.338 -3.701 12.218 1.00 0.00 O ATOM 0 H ASP A 33 2.047 -4.088 14.430 1.00 0.00 H new ATOM 0 HA ASP A 33 3.110 -2.806 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.122 -3.582 14.499 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.609 -4.961 13.533 1.00 0.00 H new ATOM 522 N VAL A 34 3.691 -4.695 10.480 1.00 0.00 N ATOM 523 CA VAL A 34 3.707 -5.692 9.417 1.00 0.00 C ATOM 524 C VAL A 34 4.945 -6.576 9.510 1.00 0.00 C ATOM 525 O VAL A 34 6.034 -6.105 9.842 1.00 0.00 O ATOM 526 CB VAL A 34 3.665 -5.031 8.026 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.464 -4.105 7.911 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.958 -4.276 7.757 1.00 0.00 C ATOM 0 H VAL A 34 4.247 -3.862 10.286 1.00 0.00 H new ATOM 0 HA VAL A 34 2.816 -6.306 9.547 1.00 0.00 H new ATOM 0 HB VAL A 34 3.564 -5.813 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.451 -3.647 6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.548 -4.677 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.531 -3.326 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.912 -3.815 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.092 -3.502 8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.799 -4.969 7.795 1.00 0.00 H new ATOM 538 N PHE A 35 4.773 -7.860 9.215 1.00 0.00 N ATOM 539 CA PHE A 35 5.877 -8.811 9.266 1.00 0.00 C ATOM 540 C PHE A 35 5.682 -9.926 8.243 1.00 0.00 C ATOM 541 O PHE A 35 4.554 -10.263 7.882 1.00 0.00 O ATOM 542 CB PHE A 35 6.000 -9.408 10.670 1.00 0.00 C ATOM 543 CG PHE A 35 4.676 -9.630 11.345 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.078 -8.616 12.075 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.032 -10.853 11.250 1.00 0.00 C ATOM 546 CE1 PHE A 35 2.860 -8.816 12.697 1.00 0.00 C ATOM 547 CE2 PHE A 35 2.814 -11.059 11.869 1.00 0.00 C ATOM 548 CZ PHE A 35 2.227 -10.040 12.595 1.00 0.00 C ATOM 0 H PHE A 35 3.879 -8.266 8.938 1.00 0.00 H new ATOM 0 HA PHE A 35 6.795 -8.276 9.024 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.531 -10.358 10.607 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.606 -8.744 11.287 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.569 -7.658 12.159 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.487 -11.654 10.686 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.404 -8.017 13.262 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.321 -12.016 11.786 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.276 -10.200 13.081 1.00 0.00 H new ATOM 558 N HIS A 36 6.790 -10.495 7.778 1.00 0.00 N ATOM 559 CA HIS A 36 6.743 -11.572 6.796 1.00 0.00 C ATOM 560 C HIS A 36 7.295 -12.868 7.383 1.00 0.00 C ATOM 561 O HIS A 36 8.065 -12.847 8.343 1.00 0.00 O ATOM 562 CB HIS A 36 7.534 -11.187 5.546 1.00 0.00 C ATOM 563 CG HIS A 36 7.220 -12.035 4.352 1.00 0.00 C ATOM 564 ND1 HIS A 36 8.191 -12.568 3.531 1.00 0.00 N ATOM 565 CD2 HIS A 36 6.034 -12.444 3.844 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.616 -13.266 2.568 1.00 0.00 C ATOM 567 NE2 HIS A 36 6.307 -13.207 2.736 1.00 0.00 N ATOM 0 H HIS A 36 7.731 -10.228 8.066 1.00 0.00 H new ATOM 0 HA HIS A 36 5.701 -11.733 6.521 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.330 -10.144 5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.600 -11.261 5.764 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.055 -12.213 4.237 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.129 -13.795 1.778 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.612 -13.656 2.139 1.00 0.00 H new ATOM 575 N VAL A 37 6.897 -13.994 6.799 1.00 0.00 N ATOM 576 CA VAL A 37 7.352 -15.298 7.264 1.00 0.00 C ATOM 577 C VAL A 37 8.482 -15.830 6.389 1.00 0.00 C ATOM 578 O VAL A 37 8.408 -15.776 5.162 1.00 0.00 O ATOM 579 CB VAL A 37 6.202 -16.323 7.276 1.00 0.00 C ATOM 580 CG1 VAL A 37 5.074 -15.849 8.180 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.695 -16.571 5.863 1.00 0.00 C ATOM 0 H VAL A 37 6.260 -14.029 6.003 1.00 0.00 H new ATOM 0 HA VAL A 37 7.717 -15.161 8.282 1.00 0.00 H new ATOM 0 HB VAL A 37 6.582 -17.265 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.271 -16.586 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.449 -15.727 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.693 -14.895 7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.883 -17.298 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.331 -15.636 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.507 -16.958 5.248 1.00 0.00 H new ATOM 591 N ALA A 38 9.527 -16.343 7.030 1.00 0.00 N ATOM 592 CA ALA A 38 10.672 -16.887 6.310 1.00 0.00 C ATOM 593 C ALA A 38 10.441 -18.346 5.933 1.00 0.00 C ATOM 594 O ALA A 38 10.872 -18.799 4.873 1.00 0.00 O ATOM 595 CB ALA A 38 11.935 -16.749 7.147 1.00 0.00 C ATOM 0 H ALA A 38 9.604 -16.393 8.046 1.00 0.00 H new ATOM 0 HA ALA A 38 10.795 -16.317 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.782 -17.159 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.117 -15.696 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.812 -17.293 8.083 1.00 0.00 H new ATOM 601 N ARG A 39 9.759 -19.077 6.809 1.00 0.00 N ATOM 602 CA ARG A 39 9.473 -20.486 6.568 1.00 0.00 C ATOM 603 C ARG A 39 8.174 -20.902 7.252 1.00 0.00 C ATOM 604 O ARG A 39 7.937 -20.570 8.414 1.00 0.00 O ATOM 605 CB ARG A 39 10.627 -21.356 7.070 1.00 0.00 C ATOM 606 CG ARG A 39 11.905 -21.197 6.264 1.00 0.00 C ATOM 607 CD ARG A 39 11.733 -21.703 4.841 1.00 0.00 C ATOM 608 NE ARG A 39 12.951 -21.540 4.051 1.00 0.00 N ATOM 609 CZ ARG A 39 13.058 -21.914 2.781 1.00 0.00 C ATOM 610 NH1 ARG A 39 12.027 -22.470 2.160 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.200 -21.732 2.129 1.00 0.00 N ATOM 0 H ARG A 39 9.395 -18.717 7.691 1.00 0.00 H new ATOM 0 HA ARG A 39 9.360 -20.629 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.831 -21.108 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.320 -22.402 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.196 -20.147 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.713 -21.743 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.453 -22.756 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.915 -21.165 4.361 1.00 0.00 H new ATOM 0 HE ARG A 39 13.763 -21.116 4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.148 -22.612 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.113 -22.756 1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.996 -21.305 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.282 -22.019 1.154 1.00 0.00 H new ATOM 625 N LYS A 40 7.334 -21.629 6.523 1.00 0.00 N ATOM 626 CA LYS A 40 6.058 -22.091 7.058 1.00 0.00 C ATOM 627 C LYS A 40 6.061 -23.605 7.241 1.00 0.00 C ATOM 628 O LYS A 40 6.171 -24.356 6.272 1.00 0.00 O ATOM 629 CB LYS A 40 4.914 -21.681 6.128 1.00 0.00 C ATOM 630 CG LYS A 40 5.081 -22.176 4.702 1.00 0.00 C ATOM 631 CD LYS A 40 4.025 -23.206 4.342 1.00 0.00 C ATOM 632 CE LYS A 40 4.542 -24.198 3.311 1.00 0.00 C ATOM 633 NZ LYS A 40 3.519 -25.223 2.965 1.00 0.00 N ATOM 0 H LYS A 40 7.514 -21.911 5.559 1.00 0.00 H new ATOM 0 HA LYS A 40 5.911 -21.626 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.976 -22.065 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.836 -20.594 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.018 -21.333 4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.072 -22.613 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.716 -23.741 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.141 -22.701 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.839 -23.663 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.434 -24.691 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.910 -25.880 2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.254 -25.751 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.677 -24.755 2.573 1.00 0.00 H new ATOM 647 N GLU A 41 5.940 -24.047 8.489 1.00 0.00 N ATOM 648 CA GLU A 41 5.928 -25.472 8.797 1.00 0.00 C ATOM 649 C GLU A 41 4.524 -25.935 9.177 1.00 0.00 C ATOM 650 O GLU A 41 3.627 -25.119 9.389 1.00 0.00 O ATOM 651 CB GLU A 41 6.904 -25.779 9.934 1.00 0.00 C ATOM 652 CG GLU A 41 8.203 -26.413 9.467 1.00 0.00 C ATOM 653 CD GLU A 41 9.022 -25.487 8.588 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.308 -24.353 9.027 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.375 -25.895 7.462 1.00 0.00 O ATOM 0 H GLU A 41 5.849 -23.439 9.303 1.00 0.00 H new ATOM 0 HA GLU A 41 6.241 -26.013 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.131 -24.855 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.420 -26.446 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.795 -26.701 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.979 -27.327 8.916 1.00 0.00 H new ATOM 662 N GLU A 42 4.344 -27.249 9.262 1.00 0.00 N ATOM 663 CA GLU A 42 3.050 -27.820 9.616 1.00 0.00 C ATOM 664 C GLU A 42 2.739 -27.590 11.092 1.00 0.00 C ATOM 665 O GLU A 42 1.576 -27.554 11.493 1.00 0.00 O ATOM 666 CB GLU A 42 3.027 -29.318 9.306 1.00 0.00 C ATOM 667 CG GLU A 42 3.828 -30.156 10.288 1.00 0.00 C ATOM 668 CD GLU A 42 3.766 -31.639 9.978 1.00 0.00 C ATOM 669 OE1 GLU A 42 2.682 -32.118 9.586 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.803 -32.319 10.126 1.00 0.00 O ATOM 0 H GLU A 42 5.077 -27.937 9.091 1.00 0.00 H new ATOM 0 HA GLU A 42 2.286 -27.321 9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.993 -29.664 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.418 -29.478 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.868 -29.829 10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.453 -29.984 11.297 1.00 0.00 H new ATOM 677 N GLN A 43 3.787 -27.436 11.894 1.00 0.00 N ATOM 678 CA GLN A 43 3.626 -27.211 13.326 1.00 0.00 C ATOM 679 C GLN A 43 3.534 -25.721 13.636 1.00 0.00 C ATOM 680 O GLN A 43 2.462 -25.210 13.959 1.00 0.00 O ATOM 681 CB GLN A 43 4.793 -27.833 14.096 1.00 0.00 C ATOM 682 CG GLN A 43 4.826 -29.351 14.028 1.00 0.00 C ATOM 683 CD GLN A 43 5.401 -29.979 15.282 1.00 0.00 C ATOM 684 OE1 GLN A 43 4.768 -29.977 16.338 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.609 -30.521 15.173 1.00 0.00 N ATOM 0 H GLN A 43 4.756 -27.463 11.577 1.00 0.00 H new ATOM 0 HA GLN A 43 2.697 -27.687 13.641 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.729 -27.439 13.700 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.734 -27.526 15.140 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.815 -29.726 13.869 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.419 -29.660 13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.098 -30.500 14.278 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.047 -30.958 15.984 1.00 0.00 H new ATOM 694 N TRP A 44 4.664 -25.030 13.536 1.00 0.00 N ATOM 695 CA TRP A 44 4.710 -23.598 13.806 1.00 0.00 C ATOM 696 C TRP A 44 5.237 -22.832 12.597 1.00 0.00 C ATOM 697 O TRP A 44 5.938 -23.392 11.754 1.00 0.00 O ATOM 698 CB TRP A 44 5.589 -23.316 15.026 1.00 0.00 C ATOM 699 CG TRP A 44 6.903 -24.036 14.990 1.00 0.00 C ATOM 700 CD1 TRP A 44 7.863 -23.941 14.024 1.00 0.00 C ATOM 701 CD2 TRP A 44 7.400 -24.962 15.962 1.00 0.00 C ATOM 702 NE1 TRP A 44 8.927 -24.752 14.337 1.00 0.00 N ATOM 703 CE2 TRP A 44 8.668 -25.388 15.522 1.00 0.00 C ATOM 704 CE3 TRP A 44 6.898 -25.470 17.163 1.00 0.00 C ATOM 705 CZ2 TRP A 44 9.437 -26.300 16.240 1.00 0.00 C ATOM 706 CZ3 TRP A 44 7.663 -26.375 17.875 1.00 0.00 C ATOM 707 CH2 TRP A 44 8.921 -26.781 17.412 1.00 0.00 C ATOM 0 H TRP A 44 5.560 -25.438 13.270 1.00 0.00 H new ATOM 0 HA TRP A 44 3.694 -23.260 14.012 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.772 -22.244 15.093 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.049 -23.604 15.928 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.796 -23.320 13.143 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.773 -24.862 13.778 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.930 -25.161 17.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.406 -26.616 15.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.284 -26.776 18.804 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.495 -27.488 17.992 1.00 0.00 H new ATOM 718 N TRP A 45 4.895 -21.551 12.519 1.00 0.00 N ATOM 719 CA TRP A 45 5.334 -20.710 11.412 1.00 0.00 C ATOM 720 C TRP A 45 6.455 -19.774 11.851 1.00 0.00 C ATOM 721 O TRP A 45 6.451 -19.271 12.974 1.00 0.00 O ATOM 722 CB TRP A 45 4.160 -19.897 10.864 1.00 0.00 C ATOM 723 CG TRP A 45 3.115 -20.739 10.197 1.00 0.00 C ATOM 724 CD1 TRP A 45 2.905 -20.875 8.854 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.135 -21.560 10.843 1.00 0.00 C ATOM 726 NE1 TRP A 45 1.855 -21.731 8.626 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.366 -22.166 9.830 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.835 -21.845 12.178 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.316 -23.036 10.112 1.00 0.00 C ATOM 730 CZ3 TRP A 45 0.793 -22.708 12.456 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.044 -23.296 11.428 1.00 0.00 C ATOM 0 H TRP A 45 4.316 -21.073 13.209 1.00 0.00 H new ATOM 0 HA TRP A 45 5.715 -21.360 10.624 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.701 -19.340 11.680 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.536 -19.164 10.150 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.480 -20.382 8.084 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.497 -21.999 7.709 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.407 -21.399 12.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.263 -23.489 9.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.551 -22.934 13.484 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.764 -23.968 11.679 1.00 0.00 H new ATOM 742 N TRP A 46 7.412 -19.544 10.959 1.00 0.00 N ATOM 743 CA TRP A 46 8.539 -18.668 11.256 1.00 0.00 C ATOM 744 C TRP A 46 8.279 -17.254 10.747 1.00 0.00 C ATOM 745 O TRP A 46 8.324 -17.000 9.544 1.00 0.00 O ATOM 746 CB TRP A 46 9.820 -19.221 10.629 1.00 0.00 C ATOM 747 CG TRP A 46 10.357 -20.426 11.340 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.645 -21.326 12.080 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.721 -20.861 11.380 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.483 -22.294 12.578 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.762 -22.032 12.161 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.910 -20.376 10.830 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.946 -22.723 12.406 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.085 -21.063 11.073 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.096 -22.226 11.855 1.00 0.00 C ATOM 0 H TRP A 46 7.430 -19.952 10.024 1.00 0.00 H new ATOM 0 HA TRP A 46 8.660 -18.628 12.338 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.624 -19.479 9.588 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.581 -18.441 10.626 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.579 -21.283 12.249 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.199 -23.080 13.163 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.911 -19.481 10.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.956 -23.619 13.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 15.010 -20.697 10.653 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.030 -22.740 12.026 1.00 0.00 H new ATOM 766 N ALA A 47 8.006 -16.339 11.671 1.00 0.00 N ATOM 767 CA ALA A 47 7.741 -14.950 11.315 1.00 0.00 C ATOM 768 C ALA A 47 8.924 -14.057 11.670 1.00 0.00 C ATOM 769 O ALA A 47 9.664 -14.334 12.615 1.00 0.00 O ATOM 770 CB ALA A 47 6.479 -14.459 12.010 1.00 0.00 C ATOM 0 H ALA A 47 7.962 -16.534 12.671 1.00 0.00 H new ATOM 0 HA ALA A 47 7.592 -14.899 10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.293 -13.421 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.632 -15.073 11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.607 -14.531 13.090 1.00 0.00 H new ATOM 776 N THR A 48 9.099 -12.983 10.906 1.00 0.00 N ATOM 777 CA THR A 48 10.194 -12.049 11.139 1.00 0.00 C ATOM 778 C THR A 48 9.695 -10.609 11.155 1.00 0.00 C ATOM 779 O THR A 48 9.093 -10.139 10.188 1.00 0.00 O ATOM 780 CB THR A 48 11.289 -12.189 10.065 1.00 0.00 C ATOM 781 OG1 THR A 48 11.700 -13.557 9.959 1.00 0.00 O ATOM 782 CG2 THR A 48 12.491 -11.318 10.400 1.00 0.00 C ATOM 0 H THR A 48 8.496 -12.738 10.120 1.00 0.00 H new ATOM 0 HA THR A 48 10.617 -12.294 12.113 1.00 0.00 H new ATOM 0 HB THR A 48 10.876 -11.859 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.395 -13.638 9.273 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.251 -11.434 9.627 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.181 -10.274 10.451 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.903 -11.621 11.362 1.00 0.00 H new ATOM 790 N LEU A 49 9.948 -9.912 12.257 1.00 0.00 N ATOM 791 CA LEU A 49 9.525 -8.524 12.399 1.00 0.00 C ATOM 792 C LEU A 49 10.481 -7.586 11.669 1.00 0.00 C ATOM 793 O LEU A 49 11.648 -7.458 12.041 1.00 0.00 O ATOM 794 CB LEU A 49 9.448 -8.142 13.878 1.00 0.00 C ATOM 795 CG LEU A 49 8.075 -7.702 14.387 1.00 0.00 C ATOM 796 CD1 LEU A 49 7.733 -6.313 13.869 1.00 0.00 C ATOM 797 CD2 LEU A 49 7.007 -8.704 13.975 1.00 0.00 C ATOM 0 H LEU A 49 10.444 -10.286 13.066 1.00 0.00 H new ATOM 0 HA LEU A 49 8.536 -8.424 11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.776 -8.996 14.471 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.157 -7.335 14.062 1.00 0.00 H new ATOM 0 HG LEU A 49 8.108 -7.663 15.476 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.752 -6.017 14.242 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.483 -5.601 14.214 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.719 -6.324 12.779 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.036 -8.374 14.346 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.975 -8.775 12.888 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.243 -9.681 14.396 1.00 0.00 H new ATOM 809 N LEU A 50 9.978 -6.929 10.629 1.00 0.00 N ATOM 810 CA LEU A 50 10.787 -6.000 9.847 1.00 0.00 C ATOM 811 C LEU A 50 10.295 -4.567 10.026 1.00 0.00 C ATOM 812 O LEU A 50 9.110 -4.332 10.266 1.00 0.00 O ATOM 813 CB LEU A 50 10.751 -6.383 8.367 1.00 0.00 C ATOM 814 CG LEU A 50 10.330 -7.819 8.055 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.213 -8.027 6.553 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.318 -8.808 8.657 1.00 0.00 C ATOM 0 H LEU A 50 9.014 -7.022 10.308 1.00 0.00 H new ATOM 0 HA LEU A 50 11.814 -6.059 10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.068 -5.706 7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.742 -6.216 7.945 1.00 0.00 H new ATOM 0 HG LEU A 50 9.352 -7.995 8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.912 -9.055 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.466 -7.344 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.177 -7.831 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.002 -9.825 8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.309 -8.632 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.351 -8.677 9.739 1.00 0.00 H new ATOM 828 N ASP A 51 11.211 -3.613 9.905 1.00 0.00 N ATOM 829 CA ASP A 51 10.871 -2.203 10.049 1.00 0.00 C ATOM 830 C ASP A 51 10.049 -1.717 8.859 1.00 0.00 C ATOM 831 O ASP A 51 9.791 -2.473 7.922 1.00 0.00 O ATOM 832 CB ASP A 51 12.140 -1.361 10.186 1.00 0.00 C ATOM 833 CG ASP A 51 11.943 -0.158 11.087 1.00 0.00 C ATOM 834 OD1 ASP A 51 10.798 0.071 11.530 1.00 0.00 O ATOM 835 OD2 ASP A 51 12.934 0.555 11.350 1.00 0.00 O ATOM 0 H ASP A 51 12.196 -3.791 9.707 1.00 0.00 H new ATOM 0 HA ASP A 51 10.271 -2.091 10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.943 -1.982 10.584 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.457 -1.024 9.199 1.00 0.00 H new ATOM 840 N GLU A 52 9.641 -0.453 8.904 1.00 0.00 N ATOM 841 CA GLU A 52 8.847 0.131 7.830 1.00 0.00 C ATOM 842 C GLU A 52 9.577 0.025 6.494 1.00 0.00 C ATOM 843 O GLU A 52 8.951 -0.049 5.437 1.00 0.00 O ATOM 844 CB GLU A 52 8.533 1.597 8.137 1.00 0.00 C ATOM 845 CG GLU A 52 9.770 2.465 8.292 1.00 0.00 C ATOM 846 CD GLU A 52 9.512 3.706 9.124 1.00 0.00 C ATOM 847 OE1 GLU A 52 8.341 3.946 9.485 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.482 4.437 9.415 1.00 0.00 O ATOM 0 H GLU A 52 9.847 0.186 9.672 1.00 0.00 H new ATOM 0 HA GLU A 52 7.913 -0.426 7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.913 2.002 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.945 1.650 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.564 1.880 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.127 2.761 7.306 1.00 0.00 H new ATOM 855 N ALA A 53 10.904 0.019 6.551 1.00 0.00 N ATOM 856 CA ALA A 53 11.720 -0.079 5.347 1.00 0.00 C ATOM 857 C ALA A 53 11.761 -1.512 4.827 1.00 0.00 C ATOM 858 O ALA A 53 12.102 -1.753 3.670 1.00 0.00 O ATOM 859 CB ALA A 53 13.129 0.426 5.622 1.00 0.00 C ATOM 0 H ALA A 53 11.437 0.081 7.418 1.00 0.00 H new ATOM 0 HA ALA A 53 11.266 0.546 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.727 0.347 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.087 1.468 5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.584 -0.175 6.410 1.00 0.00 H new ATOM 865 N GLY A 54 11.411 -2.460 5.690 1.00 0.00 N ATOM 866 CA GLY A 54 11.416 -3.858 5.299 1.00 0.00 C ATOM 867 C GLY A 54 12.577 -4.625 5.902 1.00 0.00 C ATOM 868 O GLY A 54 12.604 -5.854 5.866 1.00 0.00 O ATOM 0 H GLY A 54 11.124 -2.285 6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.479 -4.322 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.464 -3.928 4.212 1.00 0.00 H new ATOM 872 N GLY A 55 13.542 -3.896 6.456 1.00 0.00 N ATOM 873 CA GLY A 55 14.698 -4.532 7.059 1.00 0.00 C ATOM 874 C GLY A 55 14.339 -5.344 8.287 1.00 0.00 C ATOM 875 O GLY A 55 13.658 -4.852 9.187 1.00 0.00 O ATOM 0 H GLY A 55 13.543 -2.877 6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.176 -5.181 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.427 -3.769 7.332 1.00 0.00 H new ATOM 879 N ALA A 56 14.796 -6.592 8.325 1.00 0.00 N ATOM 880 CA ALA A 56 14.518 -7.473 9.452 1.00 0.00 C ATOM 881 C ALA A 56 14.963 -6.840 10.766 1.00 0.00 C ATOM 882 O ALA A 56 15.848 -5.985 10.787 1.00 0.00 O ATOM 883 CB ALA A 56 15.204 -8.816 9.253 1.00 0.00 C ATOM 0 H ALA A 56 15.360 -7.015 7.588 1.00 0.00 H new ATOM 0 HA ALA A 56 13.441 -7.631 9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.988 -9.464 10.102 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.835 -9.281 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.281 -8.667 9.175 1.00 0.00 H new ATOM 889 N VAL A 57 14.343 -7.265 11.863 1.00 0.00 N ATOM 890 CA VAL A 57 14.675 -6.739 13.181 1.00 0.00 C ATOM 891 C VAL A 57 14.535 -7.815 14.253 1.00 0.00 C ATOM 892 O VAL A 57 15.527 -8.277 14.816 1.00 0.00 O ATOM 893 CB VAL A 57 13.778 -5.543 13.551 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.246 -4.907 14.851 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.761 -4.522 12.424 1.00 0.00 C ATOM 0 H VAL A 57 13.608 -7.972 11.864 1.00 0.00 H new ATOM 0 HA VAL A 57 15.712 -6.406 13.137 1.00 0.00 H new ATOM 0 HB VAL A 57 12.760 -5.905 13.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.600 -4.064 15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.202 -5.644 15.653 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.272 -4.557 14.736 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.122 -3.684 12.702 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.774 -4.162 12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.374 -4.987 11.517 1.00 0.00 H new ATOM 905 N ALA A 58 13.297 -8.211 14.529 1.00 0.00 N ATOM 906 CA ALA A 58 13.027 -9.235 15.530 1.00 0.00 C ATOM 907 C ALA A 58 12.644 -10.557 14.875 1.00 0.00 C ATOM 908 O ALA A 58 12.146 -10.580 13.750 1.00 0.00 O ATOM 909 CB ALA A 58 11.927 -8.773 16.474 1.00 0.00 C ATOM 0 H ALA A 58 12.465 -7.838 14.073 1.00 0.00 H new ATOM 0 HA ALA A 58 13.940 -9.396 16.104 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.736 -9.548 17.217 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.240 -7.858 16.977 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.017 -8.582 15.906 1.00 0.00 H new ATOM 915 N GLN A 59 12.880 -11.655 15.585 1.00 0.00 N ATOM 916 CA GLN A 59 12.561 -12.981 15.070 1.00 0.00 C ATOM 917 C GLN A 59 11.833 -13.812 16.122 1.00 0.00 C ATOM 918 O GLN A 59 12.082 -13.674 17.318 1.00 0.00 O ATOM 919 CB GLN A 59 13.836 -13.700 14.627 1.00 0.00 C ATOM 920 CG GLN A 59 14.737 -12.853 13.743 1.00 0.00 C ATOM 921 CD GLN A 59 15.573 -13.687 12.793 1.00 0.00 C ATOM 922 OE1 GLN A 59 15.337 -14.884 12.627 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.557 -13.057 12.162 1.00 0.00 N ATOM 0 H GLN A 59 13.291 -11.653 16.519 1.00 0.00 H new ATOM 0 HA GLN A 59 11.903 -12.861 14.209 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.395 -14.009 15.511 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.563 -14.608 14.089 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.126 -12.158 13.168 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.396 -12.254 14.371 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.717 -12.064 12.330 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.153 -13.566 11.509 1.00 0.00 H new ATOM 932 N GLY A 60 10.931 -14.676 15.665 1.00 0.00 N ATOM 933 CA GLY A 60 10.180 -15.516 16.580 1.00 0.00 C ATOM 934 C GLY A 60 9.254 -16.476 15.858 1.00 0.00 C ATOM 935 O GLY A 60 9.170 -16.462 14.630 1.00 0.00 O ATOM 0 H GLY A 60 10.707 -14.809 14.679 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.874 -16.083 17.201 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.595 -14.886 17.250 1.00 0.00 H new ATOM 939 N TYR A 61 8.559 -17.311 16.622 1.00 0.00 N ATOM 940 CA TYR A 61 7.638 -18.285 16.047 1.00 0.00 C ATOM 941 C TYR A 61 6.235 -18.113 16.623 1.00 0.00 C ATOM 942 O TYR A 61 6.054 -18.047 17.839 1.00 0.00 O ATOM 943 CB TYR A 61 8.138 -19.707 16.308 1.00 0.00 C ATOM 944 CG TYR A 61 9.620 -19.881 16.069 1.00 0.00 C ATOM 945 CD1 TYR A 61 10.178 -19.625 14.822 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.464 -20.300 17.090 1.00 0.00 C ATOM 947 CE1 TYR A 61 11.532 -19.783 14.599 1.00 0.00 C ATOM 948 CE2 TYR A 61 11.820 -20.460 16.876 1.00 0.00 C ATOM 949 CZ TYR A 61 12.349 -20.201 15.629 1.00 0.00 C ATOM 950 OH TYR A 61 13.698 -20.359 15.411 1.00 0.00 O ATOM 0 H TYR A 61 8.615 -17.333 17.640 1.00 0.00 H new ATOM 0 HA TYR A 61 7.593 -18.115 14.971 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.910 -19.980 17.338 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.591 -20.399 15.667 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.542 -19.297 14.013 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.053 -20.504 18.068 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.949 -19.580 13.623 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.462 -20.786 17.681 1.00 0.00 H new ATOM 0 HH TYR A 61 14.130 -20.657 16.238 1.00 0.00 H new ATOM 960 N VAL A 62 5.245 -18.043 15.739 1.00 0.00 N ATOM 961 CA VAL A 62 3.857 -17.881 16.157 1.00 0.00 C ATOM 962 C VAL A 62 2.910 -18.617 15.216 1.00 0.00 C ATOM 963 O VAL A 62 3.196 -18.810 14.034 1.00 0.00 O ATOM 964 CB VAL A 62 3.457 -16.395 16.211 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.441 -15.608 17.065 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.374 -15.814 14.808 1.00 0.00 C ATOM 0 H VAL A 62 5.378 -18.096 14.729 1.00 0.00 H new ATOM 0 HA VAL A 62 3.776 -18.308 17.157 1.00 0.00 H new ATOM 0 HB VAL A 62 2.471 -16.319 16.670 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.142 -14.560 17.092 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.446 -16.010 18.078 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.440 -15.690 16.637 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.090 -14.763 14.866 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.345 -15.901 14.320 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.628 -16.360 14.231 1.00 0.00 H new ATOM 976 N PRO A 63 1.754 -19.038 15.750 1.00 0.00 N ATOM 977 CA PRO A 63 0.740 -19.759 14.975 1.00 0.00 C ATOM 978 C PRO A 63 0.053 -18.866 13.947 1.00 0.00 C ATOM 979 O PRO A 63 -0.048 -17.652 14.133 1.00 0.00 O ATOM 980 CB PRO A 63 -0.260 -20.217 16.039 1.00 0.00 C ATOM 981 CG PRO A 63 -0.102 -19.241 17.153 1.00 0.00 C ATOM 982 CD PRO A 63 1.348 -18.843 17.152 1.00 0.00 C ATOM 0 HA PRO A 63 1.173 -20.576 14.398 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.279 -20.214 15.652 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.048 -21.234 16.370 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.745 -18.373 17.006 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.383 -19.688 18.106 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.481 -17.809 17.469 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.935 -19.462 17.830 1.00 0.00 H new ATOM 990 N HIS A 64 -0.419 -19.473 12.863 1.00 0.00 N ATOM 991 CA HIS A 64 -1.097 -18.732 11.806 1.00 0.00 C ATOM 992 C HIS A 64 -2.579 -18.559 12.129 1.00 0.00 C ATOM 993 O HIS A 64 -3.236 -17.659 11.608 1.00 0.00 O ATOM 994 CB HIS A 64 -0.936 -19.451 10.466 1.00 0.00 C ATOM 995 CG HIS A 64 -1.596 -18.743 9.323 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.937 -18.875 9.029 1.00 0.00 N ATOM 997 CD2 HIS A 64 -1.092 -17.890 8.401 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.228 -18.135 7.973 1.00 0.00 C ATOM 999 NE2 HIS A 64 -2.126 -17.527 7.573 1.00 0.00 N ATOM 0 H HIS A 64 -0.344 -20.476 12.694 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.640 -17.745 11.737 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.126 -19.563 10.249 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.352 -20.455 10.550 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.067 -17.557 8.330 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.202 -18.043 7.515 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.054 -16.891 6.779 1.00 0.00 H new ATOM 1007 N ASN A 65 -3.097 -19.428 12.991 1.00 0.00 N ATOM 1008 CA ASN A 65 -4.501 -19.372 13.382 1.00 0.00 C ATOM 1009 C ASN A 65 -4.791 -18.107 14.185 1.00 0.00 C ATOM 1010 O ASN A 65 -5.941 -17.681 14.297 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.873 -20.608 14.203 1.00 0.00 C ATOM 1012 CG ASN A 65 -6.365 -20.706 14.456 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -6.851 -20.327 15.522 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -7.099 -21.217 13.475 1.00 0.00 N ATOM 0 H ASN A 65 -2.566 -20.179 13.432 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.105 -19.352 12.475 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.536 -21.503 13.680 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.347 -20.579 15.157 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.109 -21.308 13.588 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.653 -21.518 12.608 1.00 0.00 H new ATOM 1021 N TYR A 66 -3.742 -17.513 14.743 1.00 0.00 N ATOM 1022 CA TYR A 66 -3.884 -16.299 15.537 1.00 0.00 C ATOM 1023 C TYR A 66 -3.480 -15.069 14.730 1.00 0.00 C ATOM 1024 O TYR A 66 -3.883 -13.948 15.041 1.00 0.00 O ATOM 1025 CB TYR A 66 -3.034 -16.392 16.806 1.00 0.00 C ATOM 1026 CG TYR A 66 -3.540 -15.528 17.939 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -4.614 -15.933 18.722 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -2.944 -14.307 18.226 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -5.080 -15.146 19.757 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -3.402 -13.514 19.260 1.00 0.00 C ATOM 1031 CZ TYR A 66 -4.471 -13.938 20.023 1.00 0.00 C ATOM 1032 OH TYR A 66 -4.931 -13.152 21.054 1.00 0.00 O ATOM 0 H TYR A 66 -2.784 -17.853 14.660 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.933 -16.199 15.816 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.004 -17.430 17.137 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.010 -16.103 16.569 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.093 -16.879 18.518 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.108 -13.972 17.630 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.917 -15.475 20.355 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.926 -12.567 19.470 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.858 -12.207 20.803 1.00 0.00 H new ATOM 1042 N LEU A 67 -2.680 -15.288 13.692 1.00 0.00 N ATOM 1043 CA LEU A 67 -2.220 -14.198 12.838 1.00 0.00 C ATOM 1044 C LEU A 67 -3.154 -14.010 11.646 1.00 0.00 C ATOM 1045 O LEU A 67 -3.634 -14.981 11.062 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.798 -14.474 12.347 1.00 0.00 C ATOM 1047 CG LEU A 67 0.156 -13.279 12.348 1.00 0.00 C ATOM 1048 CD1 LEU A 67 -0.475 -12.092 11.636 1.00 0.00 C ATOM 1049 CD2 LEU A 67 0.542 -12.905 13.772 1.00 0.00 C ATOM 0 H LEU A 67 -2.337 -16.210 13.422 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.223 -13.281 13.427 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.366 -15.259 12.968 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.855 -14.867 11.332 1.00 0.00 H new ATOM 0 HG LEU A 67 1.061 -13.561 11.810 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.218 -11.251 11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.700 -12.364 10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.396 -11.809 12.146 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.221 -12.053 13.753 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.354 -12.643 14.335 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.035 -13.752 14.249 1.00 0.00 H new ATOM 1061 N ALA A 68 -3.404 -12.754 11.290 1.00 0.00 N ATOM 1062 CA ALA A 68 -4.276 -12.439 10.165 1.00 0.00 C ATOM 1063 C ALA A 68 -3.479 -11.866 8.997 1.00 0.00 C ATOM 1064 O ALA A 68 -2.480 -11.176 9.195 1.00 0.00 O ATOM 1065 CB ALA A 68 -5.360 -11.463 10.596 1.00 0.00 C ATOM 0 H ALA A 68 -3.015 -11.939 11.764 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.747 -13.364 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.004 -11.236 9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.955 -11.909 11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.899 -10.544 10.957 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.929 -12.159 7.780 1.00 0.00 N ATOM 1072 CA GLU A 69 -3.256 -11.673 6.581 1.00 0.00 C ATOM 1073 C GLU A 69 -3.818 -10.321 6.152 1.00 0.00 C ATOM 1074 O GLU A 69 -5.024 -10.173 5.954 1.00 0.00 O ATOM 1075 CB GLU A 69 -3.404 -12.685 5.442 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.843 -12.912 5.013 1.00 0.00 C ATOM 1077 CD GLU A 69 -5.064 -14.288 4.417 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.067 -15.006 4.195 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -6.235 -14.647 4.172 1.00 0.00 O ATOM 0 H GLU A 69 -4.755 -12.729 7.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.198 -11.549 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.828 -12.340 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.972 -13.636 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.499 -12.783 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.124 -12.154 4.282 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.935 -9.338 6.010 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.342 -7.998 5.606 1.00 0.00 C ATOM 1088 C ARG A 70 -3.023 -7.753 4.134 1.00 0.00 C ATOM 1089 O ARG A 70 -2.125 -6.979 3.805 1.00 0.00 O ATOM 1090 CB ARG A 70 -2.645 -6.947 6.472 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.427 -6.570 7.720 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.595 -5.654 7.390 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.811 -6.404 7.091 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.853 -5.889 6.447 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -6.825 -4.629 6.036 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -7.924 -6.636 6.212 1.00 0.00 N ATOM 0 H ARG A 70 -1.933 -9.445 6.169 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.420 -7.916 5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.665 -7.323 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.476 -6.051 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.797 -7.473 8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.765 -6.075 8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.779 -4.985 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.335 -5.029 6.536 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.864 -7.377 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.002 -4.053 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.626 -4.236 5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.948 -7.606 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.723 -6.240 5.718 1.00 0.00 H new ATOM 1110 N GLU A 71 -3.764 -8.419 3.254 1.00 0.00 N ATOM 1111 CA GLU A 71 -3.557 -8.274 1.818 1.00 0.00 C ATOM 1112 C GLU A 71 -3.685 -6.814 1.394 1.00 0.00 C ATOM 1113 O GLU A 71 -4.528 -6.077 1.908 1.00 0.00 O ATOM 1114 CB GLU A 71 -4.564 -9.130 1.046 1.00 0.00 C ATOM 1115 CG GLU A 71 -4.603 -10.580 1.499 1.00 0.00 C ATOM 1116 CD GLU A 71 -5.166 -11.507 0.439 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -6.406 -11.601 0.330 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -4.365 -12.138 -0.282 1.00 0.00 O ATOM 0 H GLU A 71 -4.512 -9.063 3.510 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.548 -8.615 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.558 -8.696 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.319 -9.096 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.595 -10.902 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.207 -10.658 2.403 1.00 0.00 H new ATOM 1125 N THR A 72 -2.841 -6.400 0.453 1.00 0.00 N ATOM 1126 CA THR A 72 -2.858 -5.029 -0.038 1.00 0.00 C ATOM 1127 C THR A 72 -3.992 -4.815 -1.034 1.00 0.00 C ATOM 1128 O THR A 72 -3.892 -3.981 -1.935 1.00 0.00 O ATOM 1129 CB THR A 72 -1.522 -4.657 -0.711 1.00 0.00 C ATOM 1130 OG1 THR A 72 -1.376 -5.377 -1.940 1.00 0.00 O ATOM 1131 CG2 THR A 72 -0.350 -4.967 0.207 1.00 0.00 C ATOM 0 H THR A 72 -2.137 -6.996 0.016 1.00 0.00 H new ATOM 0 HA THR A 72 -3.013 -4.385 0.828 1.00 0.00 H new ATOM 0 HB THR A 72 -1.529 -3.587 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.526 -5.134 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.582 -4.696 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.449 -4.395 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.341 -6.032 0.439 1.00 0.00 H new TER 1139 THR A 72