USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 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 39 HIS : no HD1:sc= -10.5! C(o=-12!,f=-15!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.15 K(o=-12,f=-19!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 104:sc= -2.05 USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 13 GLN : amide:sc= -1.79 K(o=-1.8,f=-6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -10.2! C(o=-14!,f=-10!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00658 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 53:sc=-0.00159 USER MOD Single : A 26 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : A 27 HIS : no HD1:sc= -13.2! C(o=-13!,f=-20!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -70:sc= 0.32 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.784 X(o=-0.78,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.7!) USER MOD Single : A 64 SER OG : rot -170:sc= -0.0365 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -35:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.176) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-7.8!) USER MOD Single : A 85 SER OG : rot -22:sc= 0.272 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.838 12.353 -27.176 1.00 0.00 N ATOM 2 CA VAL A 4 14.358 13.347 -26.230 1.00 0.00 C ATOM 3 C VAL A 4 15.507 13.767 -25.311 1.00 0.00 C ATOM 4 O VAL A 4 16.500 13.052 -25.186 1.00 0.00 O ATOM 5 CB VAL A 4 13.150 12.801 -25.466 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.463 12.661 -23.974 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.918 13.680 -25.687 1.00 0.00 C ATOM 0 HA VAL A 4 14.018 14.240 -26.754 1.00 0.00 H new ATOM 0 HB VAL A 4 12.927 11.808 -25.857 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.588 12.271 -23.454 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.300 11.976 -23.841 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.724 13.637 -23.564 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.074 13.269 -25.133 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.125 14.691 -25.336 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.676 13.707 -26.749 1.00 0.00 H new ATOM 17 N LYS A 5 15.335 14.925 -24.692 1.00 0.00 N ATOM 18 CA LYS A 5 16.344 15.449 -23.789 1.00 0.00 C ATOM 19 C LYS A 5 16.149 14.835 -22.401 1.00 0.00 C ATOM 20 O LYS A 5 15.038 14.823 -21.874 1.00 0.00 O ATOM 21 CB LYS A 5 16.325 16.979 -23.792 1.00 0.00 C ATOM 22 CG LYS A 5 17.707 17.544 -24.125 1.00 0.00 C ATOM 23 CD LYS A 5 17.713 18.203 -25.506 1.00 0.00 C ATOM 24 CE LYS A 5 18.467 19.533 -25.476 1.00 0.00 C ATOM 25 NZ LYS A 5 17.532 20.664 -25.675 1.00 0.00 N ATOM 0 H LYS A 5 14.510 15.516 -24.798 1.00 0.00 H new ATOM 0 HA LYS A 5 17.341 15.165 -24.127 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.597 17.336 -24.521 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.004 17.344 -22.816 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.997 18.274 -23.369 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.447 16.744 -24.097 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.178 17.534 -26.230 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.688 18.369 -25.838 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.983 19.644 -24.522 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.230 19.543 -26.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.060 21.559 -25.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.058 20.565 -26.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.820 20.663 -24.917 1.00 0.00 H new ATOM 39 N TYR A 6 17.247 14.339 -21.848 1.00 0.00 N ATOM 40 CA TYR A 6 17.211 13.726 -20.532 1.00 0.00 C ATOM 41 C TYR A 6 17.454 14.764 -19.435 1.00 0.00 C ATOM 42 O TYR A 6 18.600 15.061 -19.100 1.00 0.00 O ATOM 43 CB TYR A 6 18.349 12.703 -20.512 1.00 0.00 C ATOM 44 CG TYR A 6 18.063 11.438 -21.324 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.847 10.797 -21.197 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.021 10.938 -22.181 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.579 9.606 -21.961 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.753 9.747 -22.946 1.00 0.00 C ATOM 49 CZ TYR A 6 17.544 9.140 -22.798 1.00 0.00 C ATOM 50 OH TYR A 6 17.290 8.015 -23.518 1.00 0.00 O ATOM 0 H TYR A 6 18.167 14.350 -22.288 1.00 0.00 H new ATOM 0 HA TYR A 6 16.237 13.272 -20.347 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.253 13.173 -20.898 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.552 12.421 -19.479 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.097 11.188 -20.525 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.972 11.440 -22.279 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.632 9.094 -21.871 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.494 9.345 -23.621 1.00 0.00 H new ATOM 0 HH TYR A 6 18.068 7.800 -24.074 1.00 0.00 H new ATOM 60 N TYR A 7 16.358 15.288 -18.907 1.00 0.00 N ATOM 61 CA TYR A 7 16.438 16.288 -17.855 1.00 0.00 C ATOM 62 C TYR A 7 16.210 15.656 -16.480 1.00 0.00 C ATOM 63 O TYR A 7 15.239 14.927 -16.282 1.00 0.00 O ATOM 64 CB TYR A 7 15.315 17.287 -18.137 1.00 0.00 C ATOM 65 CG TYR A 7 14.430 16.911 -19.326 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.371 16.043 -19.151 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.691 17.438 -20.575 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.538 15.689 -20.271 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.858 17.082 -21.695 1.00 0.00 C ATOM 70 CZ TYR A 7 12.823 16.225 -21.487 1.00 0.00 C ATOM 71 OH TYR A 7 12.036 15.890 -22.545 1.00 0.00 O ATOM 0 H TYR A 7 15.409 15.039 -19.188 1.00 0.00 H new ATOM 0 HA TYR A 7 17.422 16.757 -17.845 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.691 17.377 -17.248 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.753 18.268 -18.320 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.167 15.629 -18.174 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.520 18.117 -20.712 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.705 15.013 -20.147 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.051 17.487 -22.678 1.00 0.00 H new ATOM 0 HH TYR A 7 11.428 16.631 -22.748 1.00 0.00 H new ATOM 81 N THR A 8 17.120 15.958 -15.567 1.00 0.00 N ATOM 82 CA THR A 8 17.030 15.430 -14.216 1.00 0.00 C ATOM 83 C THR A 8 16.039 16.250 -13.388 1.00 0.00 C ATOM 84 O THR A 8 15.769 17.407 -13.704 1.00 0.00 O ATOM 85 CB THR A 8 18.440 15.402 -13.624 1.00 0.00 C ATOM 86 OG1 THR A 8 18.678 16.752 -13.231 1.00 0.00 O ATOM 87 CG2 THR A 8 19.513 15.127 -14.680 1.00 0.00 C ATOM 0 H THR A 8 17.924 16.562 -15.736 1.00 0.00 H new ATOM 0 HA THR A 8 16.642 14.412 -14.215 1.00 0.00 H new ATOM 0 HB THR A 8 18.492 14.640 -12.846 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.571 16.825 -12.834 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.495 15.118 -14.207 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.325 14.160 -15.146 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.484 15.908 -15.440 1.00 0.00 H new ATOM 95 N LEU A 9 15.524 15.617 -12.344 1.00 0.00 N ATOM 96 CA LEU A 9 14.569 16.272 -11.467 1.00 0.00 C ATOM 97 C LEU A 9 14.949 17.746 -11.318 1.00 0.00 C ATOM 98 O LEU A 9 14.078 18.607 -11.204 1.00 0.00 O ATOM 99 CB LEU A 9 14.464 15.526 -10.136 1.00 0.00 C ATOM 100 CG LEU A 9 13.630 14.242 -10.150 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.878 13.443 -11.430 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.888 13.409 -8.894 1.00 0.00 C ATOM 0 H LEU A 9 15.751 14.657 -12.086 1.00 0.00 H new ATOM 0 HA LEU A 9 13.570 16.242 -11.901 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.471 15.278 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.039 16.203 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 9 12.575 14.517 -10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.274 12.536 -11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.604 14.047 -12.295 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.933 13.176 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.284 12.502 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.943 13.140 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.621 13.990 -8.011 1.00 0.00 H new ATOM 114 N GLU A 10 16.251 17.992 -11.324 1.00 0.00 N ATOM 115 CA GLU A 10 16.756 19.348 -11.191 1.00 0.00 C ATOM 116 C GLU A 10 15.936 20.308 -12.054 1.00 0.00 C ATOM 117 O GLU A 10 15.854 21.500 -11.758 1.00 0.00 O ATOM 118 CB GLU A 10 18.241 19.417 -11.554 1.00 0.00 C ATOM 119 CG GLU A 10 19.057 20.029 -10.413 1.00 0.00 C ATOM 120 CD GLU A 10 20.531 19.633 -10.520 1.00 0.00 C ATOM 121 OE1 GLU A 10 21.070 19.748 -11.641 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.086 19.225 -9.476 1.00 0.00 O ATOM 0 H GLU A 10 16.971 17.276 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 10 16.655 19.652 -10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.612 18.416 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.371 20.012 -12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.966 21.115 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.656 19.697 -9.455 1.00 0.00 H new ATOM 129 N GLU A 11 15.348 19.755 -13.105 1.00 0.00 N ATOM 130 CA GLU A 11 14.537 20.547 -14.013 1.00 0.00 C ATOM 131 C GLU A 11 13.056 20.421 -13.648 1.00 0.00 C ATOM 132 O GLU A 11 12.387 21.424 -13.403 1.00 0.00 O ATOM 133 CB GLU A 11 14.781 20.135 -15.466 1.00 0.00 C ATOM 134 CG GLU A 11 16.277 20.028 -15.762 1.00 0.00 C ATOM 135 CD GLU A 11 17.026 21.265 -15.260 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.881 22.320 -15.915 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.726 21.128 -14.234 1.00 0.00 O ATOM 0 H GLU A 11 15.418 18.767 -13.348 1.00 0.00 H new ATOM 0 HA GLU A 11 14.828 21.593 -13.913 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.299 19.177 -15.662 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.325 20.864 -16.136 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.682 19.135 -15.286 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.432 19.915 -16.835 1.00 0.00 H new ATOM 144 N ILE A 12 12.589 19.182 -13.624 1.00 0.00 N ATOM 145 CA ILE A 12 11.199 18.913 -13.293 1.00 0.00 C ATOM 146 C ILE A 12 10.844 19.623 -11.986 1.00 0.00 C ATOM 147 O ILE A 12 9.741 20.146 -11.839 1.00 0.00 O ATOM 148 CB ILE A 12 10.938 17.406 -13.265 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.137 16.789 -14.651 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.551 17.100 -12.696 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.569 16.277 -14.823 1.00 0.00 C ATOM 0 H ILE A 12 13.147 18.353 -13.828 1.00 0.00 H new ATOM 0 HA ILE A 12 10.539 19.314 -14.063 1.00 0.00 H new ATOM 0 HB ILE A 12 11.668 16.946 -12.599 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.434 15.968 -14.792 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.918 17.531 -15.418 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.391 16.022 -12.687 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.482 17.485 -11.679 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.791 17.575 -13.316 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.684 15.843 -15.816 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.268 17.105 -14.706 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.777 15.517 -14.069 1.00 0.00 H new ATOM 163 N GLN A 13 11.800 19.619 -11.068 1.00 0.00 N ATOM 164 CA GLN A 13 11.602 20.257 -9.778 1.00 0.00 C ATOM 165 C GLN A 13 11.296 21.745 -9.962 1.00 0.00 C ATOM 166 O GLN A 13 10.414 22.287 -9.299 1.00 0.00 O ATOM 167 CB GLN A 13 12.819 20.054 -8.873 1.00 0.00 C ATOM 168 CG GLN A 13 12.946 18.592 -8.443 1.00 0.00 C ATOM 169 CD GLN A 13 11.664 18.108 -7.760 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.750 17.600 -8.388 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.649 18.295 -6.444 1.00 0.00 N ATOM 0 H GLN A 13 12.714 19.184 -11.193 1.00 0.00 H new ATOM 0 HA GLN A 13 10.747 19.789 -9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.723 20.362 -9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.731 20.689 -7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.156 17.970 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.789 18.482 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.449 18.727 -5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.838 18.007 -5.897 1.00 0.00 H new ATOM 180 N LYS A 14 12.043 22.362 -10.865 1.00 0.00 N ATOM 181 CA LYS A 14 11.863 23.776 -11.145 1.00 0.00 C ATOM 182 C LYS A 14 10.591 23.970 -11.972 1.00 0.00 C ATOM 183 O LYS A 14 10.180 25.100 -12.230 1.00 0.00 O ATOM 184 CB LYS A 14 13.118 24.356 -11.801 1.00 0.00 C ATOM 185 CG LYS A 14 13.722 25.468 -10.940 1.00 0.00 C ATOM 186 CD LYS A 14 15.206 25.661 -11.258 1.00 0.00 C ATOM 187 CE LYS A 14 15.445 26.994 -11.971 1.00 0.00 C ATOM 188 NZ LYS A 14 16.850 27.093 -12.425 1.00 0.00 N ATOM 0 H LYS A 14 12.774 21.909 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 14 11.729 24.334 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.854 23.566 -11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.869 24.749 -12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.185 26.400 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.601 25.222 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.786 25.628 -10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.557 24.841 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.773 27.082 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.215 27.820 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.996 28.003 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.485 27.030 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.058 26.315 -13.084 1.00 0.00 H new ATOM 202 N HIS A 15 10.003 22.850 -12.366 1.00 0.00 N ATOM 203 CA HIS A 15 8.786 22.882 -13.158 1.00 0.00 C ATOM 204 C HIS A 15 7.594 22.480 -12.287 1.00 0.00 C ATOM 205 O HIS A 15 6.756 21.684 -12.705 1.00 0.00 O ATOM 206 CB HIS A 15 8.927 22.010 -14.408 1.00 0.00 C ATOM 207 CG HIS A 15 10.102 22.377 -15.283 1.00 0.00 C ATOM 208 ND1 HIS A 15 11.201 21.656 -15.647 1.00 0.00 N flip ATOM 209 CD2 HIS A 15 10.228 23.615 -15.889 1.00 0.00 C flip ATOM 210 CE1 HIS A 15 11.957 22.414 -16.434 1.00 0.00 C flip ATOM 211 NE2 HIS A 15 11.356 23.628 -16.585 1.00 0.00 N flip ATOM 0 H HIS A 15 10.347 21.914 -12.151 1.00 0.00 H new ATOM 0 HA HIS A 15 8.607 23.897 -13.512 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.026 20.968 -14.103 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.012 22.085 -14.996 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.526 24.432 -15.808 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.894 22.117 -16.881 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.712 24.409 -17.136 1.00 0.00 H new ATOM 219 N LYS A 16 7.558 23.051 -11.092 1.00 0.00 N ATOM 220 CA LYS A 16 6.483 22.762 -10.157 1.00 0.00 C ATOM 221 C LYS A 16 5.595 23.999 -10.010 1.00 0.00 C ATOM 222 O LYS A 16 5.403 24.501 -8.904 1.00 0.00 O ATOM 223 CB LYS A 16 7.049 22.249 -8.831 1.00 0.00 C ATOM 224 CG LYS A 16 5.926 21.829 -7.881 1.00 0.00 C ATOM 225 CD LYS A 16 6.486 21.415 -6.520 1.00 0.00 C ATOM 226 CE LYS A 16 6.279 22.520 -5.482 1.00 0.00 C ATOM 227 NZ LYS A 16 5.763 21.954 -4.216 1.00 0.00 N ATOM 0 H LYS A 16 8.255 23.712 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 16 5.852 21.960 -10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.709 21.402 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.653 23.027 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.225 22.654 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.368 21.000 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.997 20.500 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.549 21.193 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.222 23.036 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.579 23.262 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.629 22.718 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.853 21.482 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.444 21.263 -3.841 1.00 0.00 H new ATOM 241 N ASP A 17 5.077 24.454 -11.142 1.00 0.00 N ATOM 242 CA ASP A 17 4.214 25.623 -11.152 1.00 0.00 C ATOM 243 C ASP A 17 3.277 25.548 -12.360 1.00 0.00 C ATOM 244 O ASP A 17 3.602 24.918 -13.365 1.00 0.00 O ATOM 245 CB ASP A 17 5.031 26.910 -11.268 1.00 0.00 C ATOM 246 CG ASP A 17 4.835 27.905 -10.122 1.00 0.00 C ATOM 247 OD1 ASP A 17 3.662 28.114 -9.746 1.00 0.00 O ATOM 248 OD2 ASP A 17 5.864 28.434 -9.647 1.00 0.00 O ATOM 0 H ASP A 17 5.238 24.035 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 17 3.652 25.636 -10.218 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.088 26.648 -11.325 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.774 27.403 -12.205 1.00 0.00 H new ATOM 253 N SER A 18 2.133 26.201 -12.221 1.00 0.00 N ATOM 254 CA SER A 18 1.146 26.216 -13.288 1.00 0.00 C ATOM 255 C SER A 18 1.837 26.429 -14.636 1.00 0.00 C ATOM 256 O SER A 18 1.547 25.727 -15.604 1.00 0.00 O ATOM 257 CB SER A 18 0.097 27.304 -13.052 1.00 0.00 C ATOM 258 OG SER A 18 0.683 28.600 -12.958 1.00 0.00 O ATOM 0 H SER A 18 1.867 26.723 -11.386 1.00 0.00 H new ATOM 0 HA SER A 18 0.636 25.253 -13.296 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.627 27.292 -13.866 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.451 27.087 -12.135 1.00 0.00 H new ATOM 0 HG SER A 18 -0.020 29.267 -12.809 1.00 0.00 H new ATOM 264 N LYS A 19 2.738 27.400 -14.657 1.00 0.00 N ATOM 265 CA LYS A 19 3.473 27.714 -15.870 1.00 0.00 C ATOM 266 C LYS A 19 4.063 26.427 -16.452 1.00 0.00 C ATOM 267 O LYS A 19 3.797 26.082 -17.601 1.00 0.00 O ATOM 268 CB LYS A 19 4.514 28.801 -15.600 1.00 0.00 C ATOM 269 CG LYS A 19 5.258 29.178 -16.883 1.00 0.00 C ATOM 270 CD LYS A 19 4.410 30.104 -17.757 1.00 0.00 C ATOM 271 CE LYS A 19 4.384 29.616 -19.207 1.00 0.00 C ATOM 272 NZ LYS A 19 5.706 29.815 -19.844 1.00 0.00 N ATOM 0 H LYS A 19 2.976 27.980 -13.852 1.00 0.00 H new ATOM 0 HA LYS A 19 2.804 28.127 -16.624 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.025 29.683 -15.186 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.225 28.451 -14.852 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.198 29.670 -16.631 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.509 28.276 -17.440 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.393 30.149 -17.366 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.812 31.116 -17.717 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.114 28.560 -19.237 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.619 30.156 -19.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.672 29.479 -20.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.948 30.826 -19.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.428 29.280 -19.320 1.00 0.00 H new ATOM 286 N SER A 20 4.853 25.753 -15.629 1.00 0.00 N ATOM 287 CA SER A 20 5.483 24.512 -16.047 1.00 0.00 C ATOM 288 C SER A 20 5.258 23.429 -14.990 1.00 0.00 C ATOM 289 O SER A 20 5.809 23.505 -13.892 1.00 0.00 O ATOM 290 CB SER A 20 6.980 24.710 -16.294 1.00 0.00 C ATOM 291 OG SER A 20 7.291 24.747 -17.685 1.00 0.00 O ATOM 0 H SER A 20 5.071 26.043 -14.676 1.00 0.00 H new ATOM 0 HA SER A 20 5.026 24.196 -16.985 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.305 25.639 -15.825 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.536 23.901 -15.819 1.00 0.00 H new ATOM 0 HG SER A 20 8.255 24.876 -17.801 1.00 0.00 H new ATOM 297 N THR A 21 4.449 22.446 -15.357 1.00 0.00 N ATOM 298 CA THR A 21 4.145 21.350 -14.453 1.00 0.00 C ATOM 299 C THR A 21 4.033 20.036 -15.229 1.00 0.00 C ATOM 300 O THR A 21 3.172 19.894 -16.096 1.00 0.00 O ATOM 301 CB THR A 21 2.874 21.711 -13.682 1.00 0.00 C ATOM 302 OG1 THR A 21 3.317 22.643 -12.699 1.00 0.00 O ATOM 303 CG2 THR A 21 2.332 20.537 -12.864 1.00 0.00 C ATOM 0 H THR A 21 3.995 22.386 -16.268 1.00 0.00 H new ATOM 0 HA THR A 21 4.947 21.198 -13.731 1.00 0.00 H new ATOM 0 HB THR A 21 2.110 22.050 -14.381 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.808 23.370 -13.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.430 20.847 -12.336 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.096 19.707 -13.530 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.084 20.219 -12.141 1.00 0.00 H new ATOM 311 N TRP A 22 4.915 19.107 -14.888 1.00 0.00 N ATOM 312 CA TRP A 22 4.925 17.810 -15.542 1.00 0.00 C ATOM 313 C TRP A 22 4.801 16.735 -14.460 1.00 0.00 C ATOM 314 O TRP A 22 4.679 17.050 -13.278 1.00 0.00 O ATOM 315 CB TRP A 22 6.173 17.642 -16.410 1.00 0.00 C ATOM 316 CG TRP A 22 6.644 18.936 -17.078 1.00 0.00 C ATOM 317 CD1 TRP A 22 5.895 19.926 -17.580 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.013 19.342 -17.297 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.675 20.936 -18.105 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.004 20.570 -17.927 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.217 18.694 -16.973 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.170 21.254 -18.287 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.374 19.391 -17.339 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.382 20.627 -17.975 1.00 0.00 C ATOM 0 H TRP A 22 5.627 19.227 -14.168 1.00 0.00 H new ATOM 0 HA TRP A 22 4.081 17.717 -16.226 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.981 17.248 -15.794 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.969 16.900 -17.182 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.815 19.933 -17.575 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.338 21.793 -18.543 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.247 17.733 -16.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.137 22.215 -18.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.327 18.937 -17.111 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.319 21.101 -18.227 1.00 0.00 H new ATOM 335 N VAL A 23 4.836 15.487 -14.904 1.00 0.00 N ATOM 336 CA VAL A 23 4.729 14.364 -13.989 1.00 0.00 C ATOM 337 C VAL A 23 5.347 13.123 -14.637 1.00 0.00 C ATOM 338 O VAL A 23 4.797 12.579 -15.593 1.00 0.00 O ATOM 339 CB VAL A 23 3.269 14.161 -13.579 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.787 15.304 -12.683 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.370 14.009 -14.806 1.00 0.00 C ATOM 0 H VAL A 23 4.937 15.229 -15.886 1.00 0.00 H new ATOM 0 HA VAL A 23 5.285 14.563 -13.073 1.00 0.00 H new ATOM 0 HB VAL A 23 3.208 13.237 -13.004 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.746 15.135 -12.406 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.400 15.344 -11.783 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.871 16.248 -13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.338 13.866 -14.485 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.438 14.907 -15.420 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.692 13.146 -15.388 1.00 0.00 H new ATOM 351 N ILE A 24 6.481 12.711 -14.090 1.00 0.00 N ATOM 352 CA ILE A 24 7.178 11.544 -14.602 1.00 0.00 C ATOM 353 C ILE A 24 6.242 10.335 -14.559 1.00 0.00 C ATOM 354 O ILE A 24 5.783 9.938 -13.489 1.00 0.00 O ATOM 355 CB ILE A 24 8.493 11.331 -13.848 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.086 9.956 -14.159 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.303 11.547 -12.345 1.00 0.00 C ATOM 358 CD1 ILE A 24 10.517 9.844 -13.628 1.00 0.00 C ATOM 0 H ILE A 24 6.935 13.165 -13.297 1.00 0.00 H new ATOM 0 HA ILE A 24 7.456 11.695 -15.645 1.00 0.00 H new ATOM 0 HB ILE A 24 9.210 12.076 -14.193 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.466 9.179 -13.712 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.080 9.788 -15.236 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.252 11.390 -11.832 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.957 12.565 -12.165 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.564 10.840 -11.966 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.916 8.857 -13.862 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.139 10.607 -14.096 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.517 9.988 -12.548 1.00 0.00 H new ATOM 370 N LEU A 25 5.985 9.783 -15.737 1.00 0.00 N ATOM 371 CA LEU A 25 5.112 8.628 -15.846 1.00 0.00 C ATOM 372 C LEU A 25 5.961 7.362 -15.977 1.00 0.00 C ATOM 373 O LEU A 25 5.757 6.565 -16.892 1.00 0.00 O ATOM 374 CB LEU A 25 4.113 8.819 -16.990 1.00 0.00 C ATOM 375 CG LEU A 25 3.295 10.111 -16.957 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.253 10.129 -18.078 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.659 10.322 -15.582 1.00 0.00 C ATOM 0 H LEU A 25 6.366 10.115 -16.623 1.00 0.00 H new ATOM 0 HA LEU A 25 4.512 8.517 -14.943 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.659 8.782 -17.933 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.423 7.975 -16.988 1.00 0.00 H new ATOM 0 HG LEU A 25 3.971 10.948 -17.132 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.685 11.058 -18.032 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.755 10.058 -19.043 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.576 9.283 -17.959 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.083 11.247 -15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.999 9.485 -15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.441 10.384 -14.825 1.00 0.00 H new ATOM 389 N HIS A 26 6.895 7.217 -15.049 1.00 0.00 N ATOM 390 CA HIS A 26 7.777 6.061 -15.049 1.00 0.00 C ATOM 391 C HIS A 26 8.748 6.156 -16.227 1.00 0.00 C ATOM 392 O HIS A 26 8.637 5.399 -17.190 1.00 0.00 O ATOM 393 CB HIS A 26 6.969 4.762 -15.050 1.00 0.00 C ATOM 394 CG HIS A 26 7.199 3.895 -13.835 1.00 0.00 C ATOM 395 ND1 HIS A 26 7.087 4.373 -12.541 1.00 0.00 N ATOM 396 CD2 HIS A 26 7.534 2.577 -13.731 1.00 0.00 C ATOM 397 CE1 HIS A 26 7.346 3.379 -11.703 1.00 0.00 C ATOM 398 NE2 HIS A 26 7.624 2.268 -12.443 1.00 0.00 N ATOM 0 H HIS A 26 7.061 7.880 -14.292 1.00 0.00 H new ATOM 0 HA HIS A 26 8.370 6.052 -14.135 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.909 5.006 -15.114 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.220 4.191 -15.944 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.698 1.900 -14.556 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.338 3.439 -10.625 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.862 1.350 -12.068 1.00 0.00 H new ATOM 406 N HIS A 27 9.677 7.093 -16.112 1.00 0.00 N ATOM 407 CA HIS A 27 10.667 7.297 -17.156 1.00 0.00 C ATOM 408 C HIS A 27 9.997 7.913 -18.386 1.00 0.00 C ATOM 409 O HIS A 27 10.353 7.590 -19.518 1.00 0.00 O ATOM 410 CB HIS A 27 11.401 5.993 -17.472 1.00 0.00 C ATOM 411 CG HIS A 27 12.887 6.159 -17.679 1.00 0.00 C ATOM 412 ND1 HIS A 27 13.824 5.328 -17.088 1.00 0.00 N ATOM 413 CD2 HIS A 27 13.589 7.066 -18.417 1.00 0.00 C ATOM 414 CE1 HIS A 27 15.031 5.728 -17.461 1.00 0.00 C ATOM 415 NE2 HIS A 27 14.883 6.805 -18.284 1.00 0.00 N ATOM 0 H HIS A 27 9.765 7.720 -15.312 1.00 0.00 H new ATOM 0 HA HIS A 27 11.426 7.998 -16.809 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.235 5.288 -16.658 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.967 5.552 -18.369 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.163 7.862 -19.010 1.00 0.00 H new ATOM 0 HE1 HIS A 27 15.968 5.280 -17.165 1.00 0.00 H new ATOM 0 HE2 HIS A 27 15.642 7.324 -18.725 1.00 0.00 H new ATOM 423 N LYS A 28 9.039 8.789 -18.122 1.00 0.00 N ATOM 424 CA LYS A 28 8.315 9.452 -19.193 1.00 0.00 C ATOM 425 C LYS A 28 7.452 10.569 -18.604 1.00 0.00 C ATOM 426 O LYS A 28 6.293 10.347 -18.259 1.00 0.00 O ATOM 427 CB LYS A 28 7.525 8.435 -20.016 1.00 0.00 C ATOM 428 CG LYS A 28 7.035 7.280 -19.139 1.00 0.00 C ATOM 429 CD LYS A 28 7.128 5.947 -19.885 1.00 0.00 C ATOM 430 CE LYS A 28 8.581 5.597 -20.204 1.00 0.00 C ATOM 431 NZ LYS A 28 8.655 4.331 -20.968 1.00 0.00 N ATOM 0 H LYS A 28 8.747 9.055 -17.182 1.00 0.00 H new ATOM 0 HA LYS A 28 9.011 9.919 -19.890 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.673 8.926 -20.486 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.152 8.046 -20.819 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.631 7.233 -18.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.003 7.460 -18.837 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.684 5.156 -19.280 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.552 6.003 -20.809 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.037 6.403 -20.779 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.150 5.504 -19.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.649 4.109 -21.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.238 3.561 -20.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.129 4.432 -21.860 1.00 0.00 H new ATOM 445 N VAL A 29 8.051 11.747 -18.506 1.00 0.00 N ATOM 446 CA VAL A 29 7.352 12.901 -17.964 1.00 0.00 C ATOM 447 C VAL A 29 6.475 13.518 -19.055 1.00 0.00 C ATOM 448 O VAL A 29 6.841 13.509 -20.229 1.00 0.00 O ATOM 449 CB VAL A 29 8.355 13.891 -17.371 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.444 14.242 -18.386 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.650 15.151 -16.866 1.00 0.00 C ATOM 0 H VAL A 29 9.013 11.928 -18.793 1.00 0.00 H new ATOM 0 HA VAL A 29 6.694 12.601 -17.149 1.00 0.00 H new ATOM 0 HB VAL A 29 8.834 13.411 -16.518 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.144 14.948 -17.939 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.977 13.336 -18.676 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.988 14.693 -19.268 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.387 15.838 -16.449 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.131 15.634 -17.694 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.929 14.880 -16.094 1.00 0.00 H new ATOM 461 N TYR A 30 5.336 14.042 -18.629 1.00 0.00 N ATOM 462 CA TYR A 30 4.404 14.663 -19.555 1.00 0.00 C ATOM 463 C TYR A 30 4.117 16.112 -19.154 1.00 0.00 C ATOM 464 O TYR A 30 3.865 16.398 -17.984 1.00 0.00 O ATOM 465 CB TYR A 30 3.110 13.853 -19.459 1.00 0.00 C ATOM 466 CG TYR A 30 3.186 12.478 -20.125 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.150 11.573 -19.729 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.291 12.142 -21.120 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.221 10.278 -20.355 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.363 10.847 -21.746 1.00 0.00 C ATOM 471 CZ TYR A 30 3.324 9.979 -21.332 1.00 0.00 C ATOM 472 OH TYR A 30 3.393 8.757 -21.925 1.00 0.00 O ATOM 0 H TYR A 30 5.037 14.050 -17.654 1.00 0.00 H new ATOM 0 HA TYR A 30 4.815 14.674 -20.564 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.852 13.723 -18.408 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.302 14.423 -19.917 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.851 11.836 -18.950 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.537 12.850 -21.429 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.970 9.560 -20.055 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.669 10.572 -22.527 1.00 0.00 H new ATOM 0 HH TYR A 30 2.690 8.682 -22.604 1.00 0.00 H new ATOM 482 N ASP A 31 4.162 16.988 -20.146 1.00 0.00 N ATOM 483 CA ASP A 31 3.910 18.399 -19.912 1.00 0.00 C ATOM 484 C ASP A 31 2.417 18.682 -20.090 1.00 0.00 C ATOM 485 O ASP A 31 1.974 19.032 -21.183 1.00 0.00 O ATOM 486 CB ASP A 31 4.678 19.269 -20.908 1.00 0.00 C ATOM 487 CG ASP A 31 4.186 20.714 -21.019 1.00 0.00 C ATOM 488 OD1 ASP A 31 3.372 21.104 -20.154 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.635 21.395 -21.967 1.00 0.00 O ATOM 0 H ASP A 31 4.370 16.747 -21.115 1.00 0.00 H new ATOM 0 HA ASP A 31 4.237 18.636 -18.900 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.730 19.280 -20.622 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.620 18.805 -21.893 1.00 0.00 H new ATOM 494 N LEU A 32 1.682 18.520 -19.000 1.00 0.00 N ATOM 495 CA LEU A 32 0.248 18.754 -19.022 1.00 0.00 C ATOM 496 C LEU A 32 -0.042 20.169 -18.516 1.00 0.00 C ATOM 497 O LEU A 32 -1.174 20.482 -18.154 1.00 0.00 O ATOM 498 CB LEU A 32 -0.485 17.660 -18.244 1.00 0.00 C ATOM 499 CG LEU A 32 0.326 16.951 -17.157 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.593 16.345 -16.095 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.265 15.908 -17.766 1.00 0.00 C ATOM 0 H LEU A 32 2.053 18.229 -18.095 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.132 18.696 -20.042 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.368 18.101 -17.781 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.837 16.911 -18.953 1.00 0.00 H new ATOM 0 HG LEU A 32 0.950 17.692 -16.658 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.009 15.847 -15.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.183 17.135 -15.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.260 15.620 -16.562 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.829 15.419 -16.972 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.680 15.164 -18.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.955 16.397 -18.454 1.00 0.00 H new ATOM 513 N THR A 33 1.001 20.985 -18.509 1.00 0.00 N ATOM 514 CA THR A 33 0.873 22.359 -18.053 1.00 0.00 C ATOM 515 C THR A 33 -0.039 23.150 -18.994 1.00 0.00 C ATOM 516 O THR A 33 -0.544 24.209 -18.628 1.00 0.00 O ATOM 517 CB THR A 33 2.279 22.949 -17.931 1.00 0.00 C ATOM 518 OG1 THR A 33 2.216 23.758 -16.759 1.00 0.00 O ATOM 519 CG2 THR A 33 2.597 23.942 -19.052 1.00 0.00 C ATOM 0 H THR A 33 1.939 20.722 -18.812 1.00 0.00 H new ATOM 0 HA THR A 33 0.398 22.409 -17.073 1.00 0.00 H new ATOM 0 HB THR A 33 3.013 22.143 -17.941 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.661 24.546 -16.935 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.606 24.331 -18.918 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.527 23.437 -20.016 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.884 24.766 -19.022 1.00 0.00 H new ATOM 527 N LYS A 34 -0.221 22.603 -20.186 1.00 0.00 N ATOM 528 CA LYS A 34 -1.064 23.244 -21.182 1.00 0.00 C ATOM 529 C LYS A 34 -2.502 22.747 -21.023 1.00 0.00 C ATOM 530 O LYS A 34 -3.428 23.548 -20.895 1.00 0.00 O ATOM 531 CB LYS A 34 -0.491 23.031 -22.585 1.00 0.00 C ATOM 532 CG LYS A 34 -0.967 24.125 -23.543 1.00 0.00 C ATOM 533 CD LYS A 34 0.191 25.038 -23.951 1.00 0.00 C ATOM 534 CE LYS A 34 -0.084 26.487 -23.544 1.00 0.00 C ATOM 535 NZ LYS A 34 0.472 26.762 -22.200 1.00 0.00 N ATOM 0 H LYS A 34 0.200 21.724 -20.485 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.081 24.323 -21.030 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.598 23.030 -22.541 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.796 22.055 -22.962 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.406 23.670 -24.431 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.750 24.715 -23.067 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.113 24.694 -23.482 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.341 24.981 -25.029 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.358 27.166 -24.273 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.158 26.674 -23.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.277 27.750 -21.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.031 26.126 -21.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.500 26.603 -22.210 1.00 0.00 H new ATOM 549 N PHE A 35 -2.645 21.431 -21.035 1.00 0.00 N ATOM 550 CA PHE A 35 -3.955 20.819 -20.894 1.00 0.00 C ATOM 551 C PHE A 35 -4.342 20.688 -19.420 1.00 0.00 C ATOM 552 O PHE A 35 -5.324 20.025 -19.089 1.00 0.00 O ATOM 553 CB PHE A 35 -3.865 19.422 -21.511 1.00 0.00 C ATOM 554 CG PHE A 35 -4.149 18.286 -20.527 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.249 17.993 -19.550 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.300 17.570 -20.628 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.512 16.939 -18.635 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.563 16.516 -19.713 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.664 16.223 -18.736 1.00 0.00 C ATOM 0 H PHE A 35 -1.875 20.770 -21.140 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.708 21.434 -21.387 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.571 19.356 -22.339 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.868 19.285 -21.930 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.334 18.562 -19.470 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.014 17.803 -21.404 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.798 16.706 -17.859 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.477 15.947 -19.793 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.865 15.422 -18.040 1.00 0.00 H new ATOM 569 N LEU A 36 -3.549 21.329 -18.573 1.00 0.00 N ATOM 570 CA LEU A 36 -3.797 21.291 -17.142 1.00 0.00 C ATOM 571 C LEU A 36 -5.223 21.774 -16.862 1.00 0.00 C ATOM 572 O LEU A 36 -5.945 21.163 -16.077 1.00 0.00 O ATOM 573 CB LEU A 36 -2.723 22.080 -16.391 1.00 0.00 C ATOM 574 CG LEU A 36 -2.177 21.428 -15.120 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.664 21.627 -15.007 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.916 21.940 -13.881 1.00 0.00 C ATOM 0 H LEU A 36 -2.735 21.877 -18.851 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.727 20.268 -16.771 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.890 22.258 -17.071 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.134 23.055 -16.128 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.356 20.355 -15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.302 21.154 -14.094 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.172 21.176 -15.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.438 22.693 -14.977 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.509 21.461 -12.991 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.789 23.020 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.977 21.704 -13.967 1.00 0.00 H new ATOM 588 N GLU A 37 -5.582 22.866 -17.520 1.00 0.00 N ATOM 589 CA GLU A 37 -6.907 23.438 -17.352 1.00 0.00 C ATOM 590 C GLU A 37 -7.942 22.615 -18.123 1.00 0.00 C ATOM 591 O GLU A 37 -9.126 22.633 -17.790 1.00 0.00 O ATOM 592 CB GLU A 37 -6.933 24.903 -17.794 1.00 0.00 C ATOM 593 CG GLU A 37 -7.985 25.693 -17.014 1.00 0.00 C ATOM 594 CD GLU A 37 -8.986 26.356 -17.961 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.931 25.650 -18.374 1.00 0.00 O ATOM 596 OE2 GLU A 37 -8.784 27.555 -18.252 1.00 0.00 O ATOM 0 H GLU A 37 -4.979 23.370 -18.170 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.162 23.408 -16.293 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.951 25.350 -17.641 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.147 24.961 -18.861 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.512 25.027 -16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.496 26.454 -16.405 1.00 0.00 H new ATOM 603 N GLU A 38 -7.457 21.914 -19.137 1.00 0.00 N ATOM 604 CA GLU A 38 -8.325 21.086 -19.957 1.00 0.00 C ATOM 605 C GLU A 38 -8.555 19.731 -19.286 1.00 0.00 C ATOM 606 O GLU A 38 -9.336 18.916 -19.775 1.00 0.00 O ATOM 607 CB GLU A 38 -7.747 20.911 -21.363 1.00 0.00 C ATOM 608 CG GLU A 38 -7.989 22.158 -22.215 1.00 0.00 C ATOM 609 CD GLU A 38 -8.611 21.790 -23.563 1.00 0.00 C ATOM 610 OE1 GLU A 38 -7.869 21.224 -24.396 1.00 0.00 O ATOM 611 OE2 GLU A 38 -9.814 22.082 -23.732 1.00 0.00 O ATOM 0 H GLU A 38 -6.474 21.902 -19.410 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.287 21.588 -20.055 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.677 20.713 -21.298 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.203 20.045 -21.842 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.647 22.844 -21.682 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.046 22.681 -22.376 1.00 0.00 H new ATOM 618 N HIS A 39 -7.862 19.531 -18.175 1.00 0.00 N ATOM 619 CA HIS A 39 -7.980 18.289 -17.432 1.00 0.00 C ATOM 620 C HIS A 39 -9.151 18.387 -16.452 1.00 0.00 C ATOM 621 O HIS A 39 -9.283 19.377 -15.733 1.00 0.00 O ATOM 622 CB HIS A 39 -6.660 17.939 -16.744 1.00 0.00 C ATOM 623 CG HIS A 39 -6.644 16.571 -16.104 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.544 16.385 -14.735 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.717 15.327 -16.657 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.558 15.082 -14.489 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.664 14.429 -15.681 1.00 0.00 N ATOM 0 H HIS A 39 -7.216 20.209 -17.771 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.193 17.470 -18.119 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.854 17.996 -17.476 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.450 18.688 -15.981 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.803 15.109 -17.711 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.496 14.619 -13.515 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.697 13.417 -15.803 1.00 0.00 H new ATOM 635 N PRO A 40 -9.994 17.320 -16.454 1.00 0.00 N ATOM 636 CA PRO A 40 -11.149 17.276 -15.574 1.00 0.00 C ATOM 637 C PRO A 40 -10.730 16.986 -14.132 1.00 0.00 C ATOM 638 O PRO A 40 -11.512 17.180 -13.203 1.00 0.00 O ATOM 639 CB PRO A 40 -12.049 16.201 -16.159 1.00 0.00 C ATOM 640 CG PRO A 40 -11.163 15.363 -17.066 1.00 0.00 C ATOM 641 CD PRO A 40 -9.870 16.130 -17.291 1.00 0.00 C ATOM 0 HA PRO A 40 -11.673 18.230 -15.521 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.490 15.590 -15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.873 16.644 -16.719 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.958 14.394 -16.611 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.663 15.170 -18.015 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.002 15.535 -17.007 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.745 16.396 -18.341 1.00 0.00 H new ATOM 649 N GLY A 41 -9.495 16.524 -13.989 1.00 0.00 N ATOM 650 CA GLY A 41 -8.963 16.206 -12.676 1.00 0.00 C ATOM 651 C GLY A 41 -9.020 17.423 -11.751 1.00 0.00 C ATOM 652 O GLY A 41 -9.933 17.545 -10.936 1.00 0.00 O ATOM 0 H GLY A 41 -8.849 16.363 -14.762 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.532 15.385 -12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.932 15.865 -12.770 1.00 0.00 H new ATOM 656 N GLY A 42 -8.033 18.292 -11.908 1.00 0.00 N ATOM 657 CA GLY A 42 -7.960 19.495 -11.096 1.00 0.00 C ATOM 658 C GLY A 42 -6.818 20.402 -11.561 1.00 0.00 C ATOM 659 O GLY A 42 -6.282 20.219 -12.652 1.00 0.00 O ATOM 0 H GLY A 42 -7.277 18.187 -12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.905 20.035 -11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.811 19.224 -10.051 1.00 0.00 H new ATOM 663 N GLU A 43 -6.480 21.359 -10.708 1.00 0.00 N ATOM 664 CA GLU A 43 -5.412 22.293 -11.019 1.00 0.00 C ATOM 665 C GLU A 43 -4.330 22.240 -9.939 1.00 0.00 C ATOM 666 O GLU A 43 -3.231 22.759 -10.130 1.00 0.00 O ATOM 667 CB GLU A 43 -5.956 23.714 -11.178 1.00 0.00 C ATOM 668 CG GLU A 43 -4.870 24.753 -10.896 1.00 0.00 C ATOM 669 CD GLU A 43 -5.433 26.173 -10.982 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.240 26.408 -11.907 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.044 26.991 -10.121 1.00 0.00 O ATOM 0 H GLU A 43 -6.927 21.507 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.965 22.001 -11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.339 23.849 -12.189 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.794 23.865 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.449 24.584 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.056 24.637 -11.612 1.00 0.00 H new ATOM 678 N GLU A 44 -4.678 21.607 -8.828 1.00 0.00 N ATOM 679 CA GLU A 44 -3.750 21.478 -7.718 1.00 0.00 C ATOM 680 C GLU A 44 -3.453 20.003 -7.442 1.00 0.00 C ATOM 681 O GLU A 44 -2.671 19.679 -6.549 1.00 0.00 O ATOM 682 CB GLU A 44 -4.292 22.171 -6.467 1.00 0.00 C ATOM 683 CG GLU A 44 -5.601 21.527 -6.006 1.00 0.00 C ATOM 684 CD GLU A 44 -6.806 22.207 -6.658 1.00 0.00 C ATOM 685 OE1 GLU A 44 -7.052 23.382 -6.307 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.455 21.539 -7.492 1.00 0.00 O ATOM 0 H GLU A 44 -5.590 21.178 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.817 21.971 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.554 22.115 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.456 23.228 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.597 20.467 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.682 21.597 -4.921 1.00 0.00 H new ATOM 693 N VAL A 45 -4.093 19.147 -8.226 1.00 0.00 N ATOM 694 CA VAL A 45 -3.906 17.714 -8.077 1.00 0.00 C ATOM 695 C VAL A 45 -2.925 17.218 -9.142 1.00 0.00 C ATOM 696 O VAL A 45 -2.200 16.250 -8.919 1.00 0.00 O ATOM 697 CB VAL A 45 -5.259 17.002 -8.134 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.282 17.830 -8.914 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.117 15.600 -8.732 1.00 0.00 C ATOM 0 H VAL A 45 -4.741 19.418 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.473 17.485 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.624 16.895 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.235 17.301 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.416 18.796 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.925 17.984 -9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.093 15.116 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.719 15.675 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.437 15.009 -8.118 1.00 0.00 H new ATOM 709 N LEU A 46 -2.933 17.905 -10.274 1.00 0.00 N ATOM 710 CA LEU A 46 -2.052 17.547 -11.373 1.00 0.00 C ATOM 711 C LEU A 46 -0.630 18.006 -11.051 1.00 0.00 C ATOM 712 O LEU A 46 0.338 17.319 -11.375 1.00 0.00 O ATOM 713 CB LEU A 46 -2.593 18.098 -12.694 1.00 0.00 C ATOM 714 CG LEU A 46 -4.117 18.188 -12.810 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.532 18.686 -14.195 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.772 16.851 -12.461 1.00 0.00 C ATOM 0 H LEU A 46 -3.536 18.708 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.017 16.465 -11.497 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.177 19.094 -12.847 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.223 17.471 -13.505 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.473 18.920 -12.085 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.619 18.741 -14.251 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.109 19.676 -14.368 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.164 17.997 -14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.854 16.942 -12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.414 16.081 -13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.515 16.576 -11.438 1.00 0.00 H new ATOM 728 N ARG A 47 -0.546 19.167 -10.417 1.00 0.00 N ATOM 729 CA ARG A 47 0.743 19.728 -10.048 1.00 0.00 C ATOM 730 C ARG A 47 1.185 19.188 -8.686 1.00 0.00 C ATOM 731 O ARG A 47 2.373 19.192 -8.369 1.00 0.00 O ATOM 732 CB ARG A 47 0.684 21.255 -9.989 1.00 0.00 C ATOM 733 CG ARG A 47 -0.568 21.726 -9.245 1.00 0.00 C ATOM 734 CD ARG A 47 -0.427 23.186 -8.806 1.00 0.00 C ATOM 735 NE ARG A 47 0.116 23.249 -7.430 1.00 0.00 N ATOM 736 CZ ARG A 47 -0.015 24.309 -6.620 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.671 25.397 -7.042 1.00 0.00 N ATOM 738 NH2 ARG A 47 0.510 24.277 -5.387 1.00 0.00 N ATOM 0 H ARG A 47 -1.350 19.735 -10.149 1.00 0.00 H new ATOM 0 HA ARG A 47 1.463 19.434 -10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.574 21.638 -9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.686 21.662 -11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.441 21.619 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.736 21.095 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.233 23.719 -9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.397 23.682 -8.847 1.00 0.00 H new ATOM 0 HE ARG A 47 0.621 22.436 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.071 25.419 -7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.771 26.204 -6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.008 23.447 -5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.411 25.083 -4.770 1.00 0.00 H new ATOM 752 N GLU A 48 0.205 18.737 -7.917 1.00 0.00 N ATOM 753 CA GLU A 48 0.479 18.196 -6.596 1.00 0.00 C ATOM 754 C GLU A 48 1.641 17.204 -6.660 1.00 0.00 C ATOM 755 O GLU A 48 2.326 16.979 -5.662 1.00 0.00 O ATOM 756 CB GLU A 48 -0.770 17.540 -6.004 1.00 0.00 C ATOM 757 CG GLU A 48 -1.047 18.063 -4.593 1.00 0.00 C ATOM 758 CD GLU A 48 0.086 17.686 -3.636 1.00 0.00 C ATOM 759 OE1 GLU A 48 1.212 18.176 -3.869 1.00 0.00 O ATOM 760 OE2 GLU A 48 -0.199 16.917 -2.693 1.00 0.00 O ATOM 0 H GLU A 48 -0.780 18.735 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 48 0.764 19.018 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.629 17.740 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.638 16.458 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.160 19.147 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.988 17.653 -4.227 1.00 0.00 H new ATOM 767 N GLN A 49 1.830 16.636 -7.843 1.00 0.00 N ATOM 768 CA GLN A 49 2.898 15.674 -8.048 1.00 0.00 C ATOM 769 C GLN A 49 3.828 16.143 -9.169 1.00 0.00 C ATOM 770 O GLN A 49 4.367 15.329 -9.916 1.00 0.00 O ATOM 771 CB GLN A 49 2.334 14.284 -8.352 1.00 0.00 C ATOM 772 CG GLN A 49 1.515 13.756 -7.171 1.00 0.00 C ATOM 773 CD GLN A 49 2.360 13.702 -5.898 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.203 14.494 -4.983 1.00 0.00 O ATOM 775 NE2 GLN A 49 3.262 12.724 -5.889 1.00 0.00 N ATOM 0 H GLN A 49 1.261 16.824 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 49 3.477 15.603 -7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.708 14.328 -9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.151 13.596 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.648 14.397 -7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.136 12.761 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.341 12.096 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.875 12.603 -5.083 1.00 0.00 H new ATOM 784 N ALA A 50 3.985 17.457 -9.252 1.00 0.00 N ATOM 785 CA ALA A 50 4.839 18.045 -10.270 1.00 0.00 C ATOM 786 C ALA A 50 6.286 18.052 -9.773 1.00 0.00 C ATOM 787 O ALA A 50 6.943 19.092 -9.776 1.00 0.00 O ATOM 788 CB ALA A 50 4.334 19.448 -10.613 1.00 0.00 C ATOM 0 H ALA A 50 3.535 18.130 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 50 4.807 17.454 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.975 19.889 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.313 19.385 -10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.354 20.071 -9.719 1.00 0.00 H new ATOM 794 N GLY A 51 6.741 16.879 -9.357 1.00 0.00 N ATOM 795 CA GLY A 51 8.099 16.737 -8.858 1.00 0.00 C ATOM 796 C GLY A 51 8.462 15.263 -8.670 1.00 0.00 C ATOM 797 O GLY A 51 9.603 14.866 -8.901 1.00 0.00 O ATOM 0 H GLY A 51 6.194 16.018 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.797 17.201 -9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.199 17.264 -7.909 1.00 0.00 H new ATOM 801 N GLY A 52 7.469 14.490 -8.251 1.00 0.00 N ATOM 802 CA GLY A 52 7.670 13.069 -8.028 1.00 0.00 C ATOM 803 C GLY A 52 7.040 12.244 -9.152 1.00 0.00 C ATOM 804 O GLY A 52 7.084 12.638 -10.318 1.00 0.00 O ATOM 0 H GLY A 52 6.524 14.822 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.737 12.854 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.233 12.782 -7.072 1.00 0.00 H new ATOM 808 N ASP A 53 6.467 11.114 -8.764 1.00 0.00 N ATOM 809 CA ASP A 53 5.829 10.230 -9.725 1.00 0.00 C ATOM 810 C ASP A 53 4.313 10.268 -9.518 1.00 0.00 C ATOM 811 O ASP A 53 3.821 9.917 -8.447 1.00 0.00 O ATOM 812 CB ASP A 53 6.295 8.784 -9.537 1.00 0.00 C ATOM 813 CG ASP A 53 5.717 8.072 -8.313 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.738 8.696 -7.230 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.266 6.920 -8.487 1.00 0.00 O ATOM 0 H ASP A 53 6.431 10.790 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 53 6.098 10.569 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.031 8.214 -10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.382 8.775 -9.464 1.00 0.00 H new ATOM 820 N ALA A 54 3.618 10.699 -10.560 1.00 0.00 N ATOM 821 CA ALA A 54 2.168 10.787 -10.506 1.00 0.00 C ATOM 822 C ALA A 54 1.561 9.504 -11.077 1.00 0.00 C ATOM 823 O ALA A 54 0.374 9.240 -10.892 1.00 0.00 O ATOM 824 CB ALA A 54 1.705 12.037 -11.259 1.00 0.00 C ATOM 0 H ALA A 54 4.031 10.991 -11.446 1.00 0.00 H new ATOM 0 HA ALA A 54 1.827 10.881 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.618 12.104 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.140 12.923 -10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.027 11.976 -12.299 1.00 0.00 H new ATOM 830 N THR A 55 2.403 8.742 -11.758 1.00 0.00 N ATOM 831 CA THR A 55 1.964 7.493 -12.357 1.00 0.00 C ATOM 832 C THR A 55 1.207 6.647 -11.332 1.00 0.00 C ATOM 833 O THR A 55 0.356 5.838 -11.697 1.00 0.00 O ATOM 834 CB THR A 55 3.192 6.790 -12.938 1.00 0.00 C ATOM 835 OG1 THR A 55 2.766 5.442 -13.123 1.00 0.00 O ATOM 836 CG2 THR A 55 4.337 6.682 -11.929 1.00 0.00 C ATOM 0 H THR A 55 3.387 8.965 -11.909 1.00 0.00 H new ATOM 0 HA THR A 55 1.259 7.670 -13.169 1.00 0.00 H new ATOM 0 HB THR A 55 3.535 7.330 -13.821 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.502 4.915 -13.499 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.184 6.175 -12.392 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.640 7.681 -11.614 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.004 6.113 -11.061 1.00 0.00 H new ATOM 844 N GLU A 56 1.546 6.862 -10.069 1.00 0.00 N ATOM 845 CA GLU A 56 0.909 6.129 -8.988 1.00 0.00 C ATOM 846 C GLU A 56 -0.532 6.608 -8.799 1.00 0.00 C ATOM 847 O GLU A 56 -1.446 5.797 -8.654 1.00 0.00 O ATOM 848 CB GLU A 56 1.707 6.264 -7.689 1.00 0.00 C ATOM 849 CG GLU A 56 2.281 7.674 -7.543 1.00 0.00 C ATOM 850 CD GLU A 56 2.263 8.125 -6.082 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.453 7.552 -5.321 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.060 9.032 -5.757 1.00 0.00 O ATOM 0 H GLU A 56 2.253 7.533 -9.770 1.00 0.00 H new ATOM 0 HA GLU A 56 0.888 5.072 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.064 6.039 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.517 5.535 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.303 7.695 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.702 8.371 -8.149 1.00 0.00 H new ATOM 859 N ASN A 57 -0.690 7.923 -8.806 1.00 0.00 N ATOM 860 CA ASN A 57 -2.004 8.519 -8.636 1.00 0.00 C ATOM 861 C ASN A 57 -2.724 8.549 -9.985 1.00 0.00 C ATOM 862 O ASN A 57 -3.949 8.458 -10.042 1.00 0.00 O ATOM 863 CB ASN A 57 -1.894 9.959 -8.128 1.00 0.00 C ATOM 864 CG ASN A 57 -1.554 9.990 -6.637 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.572 8.983 -5.949 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.243 11.199 -6.178 1.00 0.00 N ATOM 0 H ASN A 57 0.070 8.593 -8.927 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.554 7.920 -7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.126 10.489 -8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.834 10.482 -8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.000 11.325 -5.195 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.247 12.001 -6.809 1.00 0.00 H new ATOM 873 N PHE A 58 -1.932 8.674 -11.041 1.00 0.00 N ATOM 874 CA PHE A 58 -2.479 8.716 -12.386 1.00 0.00 C ATOM 875 C PHE A 58 -3.056 7.356 -12.786 1.00 0.00 C ATOM 876 O PHE A 58 -4.103 7.286 -13.427 1.00 0.00 O ATOM 877 CB PHE A 58 -1.324 9.062 -13.328 1.00 0.00 C ATOM 878 CG PHE A 58 -1.610 8.764 -14.800 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.727 7.477 -15.224 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.748 9.787 -15.687 1.00 0.00 C ATOM 881 CE1 PHE A 58 -1.994 7.200 -16.591 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.015 9.510 -17.054 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.132 8.222 -17.478 1.00 0.00 C ATOM 0 H PHE A 58 -0.916 8.747 -10.991 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.282 9.452 -12.438 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.087 10.121 -13.222 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.439 8.505 -13.021 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.617 6.665 -14.520 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.654 10.809 -15.351 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.088 6.178 -16.926 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.125 10.322 -17.758 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.334 8.012 -18.518 1.00 0.00 H new ATOM 893 N GLU A 59 -2.348 6.309 -12.389 1.00 0.00 N ATOM 894 CA GLU A 59 -2.777 4.955 -12.697 1.00 0.00 C ATOM 895 C GLU A 59 -3.930 4.542 -11.780 1.00 0.00 C ATOM 896 O GLU A 59 -4.708 3.651 -12.118 1.00 0.00 O ATOM 897 CB GLU A 59 -1.610 3.972 -12.589 1.00 0.00 C ATOM 898 CG GLU A 59 -1.199 3.767 -11.130 1.00 0.00 C ATOM 899 CD GLU A 59 -2.196 2.863 -10.402 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.704 1.931 -11.062 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.426 3.124 -9.201 1.00 0.00 O ATOM 0 H GLU A 59 -1.480 6.371 -11.857 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.133 4.933 -13.727 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.894 3.016 -13.028 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.761 4.346 -13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.204 3.325 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.141 4.732 -10.626 1.00 0.00 H new ATOM 908 N ASP A 60 -4.003 5.209 -10.639 1.00 0.00 N ATOM 909 CA ASP A 60 -5.048 4.922 -9.670 1.00 0.00 C ATOM 910 C ASP A 60 -6.415 5.145 -10.320 1.00 0.00 C ATOM 911 O ASP A 60 -7.237 4.232 -10.375 1.00 0.00 O ATOM 912 CB ASP A 60 -4.944 5.848 -8.456 1.00 0.00 C ATOM 913 CG ASP A 60 -6.215 5.951 -7.610 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.816 4.885 -7.358 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.555 7.094 -7.235 1.00 0.00 O ATOM 0 H ASP A 60 -3.356 5.948 -10.363 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.932 3.888 -9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.130 5.499 -7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.674 6.846 -8.801 1.00 0.00 H new ATOM 920 N VAL A 61 -6.616 6.366 -10.795 1.00 0.00 N ATOM 921 CA VAL A 61 -7.870 6.721 -11.438 1.00 0.00 C ATOM 922 C VAL A 61 -8.085 5.823 -12.658 1.00 0.00 C ATOM 923 O VAL A 61 -9.205 5.691 -13.147 1.00 0.00 O ATOM 924 CB VAL A 61 -7.876 8.211 -11.784 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.503 8.663 -12.285 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.966 8.531 -12.809 1.00 0.00 C ATOM 0 H VAL A 61 -5.932 7.121 -10.747 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.708 6.554 -10.761 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.099 8.766 -10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.535 9.726 -12.524 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.757 8.487 -11.510 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.238 8.098 -13.179 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.949 9.597 -13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.787 7.961 -13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.940 8.263 -12.400 1.00 0.00 H new ATOM 936 N GLY A 62 -6.992 5.227 -13.114 1.00 0.00 N ATOM 937 CA GLY A 62 -7.046 4.345 -14.267 1.00 0.00 C ATOM 938 C GLY A 62 -7.374 5.127 -15.541 1.00 0.00 C ATOM 939 O GLY A 62 -8.517 5.130 -15.995 1.00 0.00 O ATOM 0 H GLY A 62 -6.064 5.338 -12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.090 3.836 -14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.800 3.574 -14.105 1.00 0.00 H new ATOM 943 N HIS A 63 -6.350 5.771 -16.081 1.00 0.00 N ATOM 944 CA HIS A 63 -6.514 6.555 -17.293 1.00 0.00 C ATOM 945 C HIS A 63 -6.700 5.619 -18.489 1.00 0.00 C ATOM 946 O HIS A 63 -5.964 4.645 -18.640 1.00 0.00 O ATOM 947 CB HIS A 63 -5.345 7.525 -17.476 1.00 0.00 C ATOM 948 CG HIS A 63 -5.385 8.718 -16.549 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.737 8.740 -15.327 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.001 9.928 -16.682 1.00 0.00 C ATOM 951 CE1 HIS A 63 -4.961 9.914 -14.757 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.745 10.649 -15.597 1.00 0.00 N ATOM 0 H HIS A 63 -5.403 5.766 -15.701 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.411 7.169 -17.213 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.411 6.986 -17.318 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.338 7.879 -18.507 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.181 7.981 -14.932 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.596 10.245 -17.526 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.588 10.234 -13.795 1.00 0.00 H new ATOM 960 N SER A 64 -7.689 5.946 -19.307 1.00 0.00 N ATOM 961 CA SER A 64 -7.982 5.146 -20.484 1.00 0.00 C ATOM 962 C SER A 64 -6.799 5.189 -21.453 1.00 0.00 C ATOM 963 O SER A 64 -5.931 6.055 -21.342 1.00 0.00 O ATOM 964 CB SER A 64 -9.255 5.635 -21.179 1.00 0.00 C ATOM 965 OG SER A 64 -9.020 6.798 -21.968 1.00 0.00 O ATOM 0 H SER A 64 -8.298 6.754 -19.178 1.00 0.00 H new ATOM 0 HA SER A 64 -8.146 4.116 -20.166 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.650 4.841 -21.813 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.016 5.853 -20.430 1.00 0.00 H new ATOM 0 HG SER A 64 -9.876 7.170 -22.266 1.00 0.00 H new ATOM 971 N THR A 65 -6.800 4.244 -22.382 1.00 0.00 N ATOM 972 CA THR A 65 -5.738 4.162 -23.369 1.00 0.00 C ATOM 973 C THR A 65 -5.873 5.292 -24.392 1.00 0.00 C ATOM 974 O THR A 65 -5.003 5.471 -25.242 1.00 0.00 O ATOM 975 CB THR A 65 -5.780 2.768 -23.995 1.00 0.00 C ATOM 976 OG1 THR A 65 -5.471 1.892 -22.914 1.00 0.00 O ATOM 977 CG2 THR A 65 -4.645 2.540 -24.996 1.00 0.00 C ATOM 0 H THR A 65 -7.521 3.528 -22.471 1.00 0.00 H new ATOM 0 HA THR A 65 -4.759 4.297 -22.909 1.00 0.00 H new ATOM 0 HB THR A 65 -6.738 2.624 -24.494 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.478 0.965 -23.232 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.722 1.535 -25.411 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.718 3.271 -25.801 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.686 2.651 -24.490 1.00 0.00 H new ATOM 985 N ASP A 66 -6.971 6.024 -24.276 1.00 0.00 N ATOM 986 CA ASP A 66 -7.232 7.131 -25.180 1.00 0.00 C ATOM 987 C ASP A 66 -6.550 8.392 -24.645 1.00 0.00 C ATOM 988 O ASP A 66 -6.519 9.419 -25.321 1.00 0.00 O ATOM 989 CB ASP A 66 -8.732 7.413 -25.287 1.00 0.00 C ATOM 990 CG ASP A 66 -9.562 6.276 -25.884 1.00 0.00 C ATOM 991 OD1 ASP A 66 -9.011 5.158 -25.976 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.730 6.550 -26.235 1.00 0.00 O ATOM 0 H ASP A 66 -7.691 5.872 -23.569 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.845 6.862 -26.163 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.116 7.639 -24.292 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.876 8.306 -25.895 1.00 0.00 H new ATOM 997 N VAL A 67 -6.021 8.273 -23.436 1.00 0.00 N ATOM 998 CA VAL A 67 -5.342 9.390 -22.802 1.00 0.00 C ATOM 999 C VAL A 67 -4.055 9.699 -23.568 1.00 0.00 C ATOM 1000 O VAL A 67 -3.634 10.854 -23.642 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.099 9.084 -21.323 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.604 9.092 -21.001 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.858 10.065 -20.427 1.00 0.00 C ATOM 0 H VAL A 67 -6.049 7.419 -22.878 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.964 10.285 -22.836 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.481 8.083 -21.121 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.458 8.872 -19.943 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.098 8.336 -21.602 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.188 10.074 -21.228 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.668 9.825 -19.381 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.521 11.081 -20.633 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.927 9.989 -20.628 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.465 8.649 -24.121 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.235 8.795 -24.879 1.00 0.00 C ATOM 1015 C ARG A 68 -2.457 9.717 -26.080 1.00 0.00 C ATOM 1016 O ARG A 68 -1.593 10.528 -26.411 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.729 7.439 -25.373 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.374 7.579 -26.071 1.00 0.00 C ATOM 1019 CD ARG A 68 -0.272 6.629 -27.265 1.00 0.00 C ATOM 1020 NE ARG A 68 -1.286 6.981 -28.282 1.00 0.00 N ATOM 1021 CZ ARG A 68 -2.470 6.364 -28.408 1.00 0.00 C ATOM 1022 NH1 ARG A 68 -2.793 5.360 -27.582 1.00 0.00 N ATOM 1023 NH2 ARG A 68 -3.330 6.751 -29.360 1.00 0.00 N ATOM 0 H ARG A 68 -3.817 7.694 -24.059 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.487 9.230 -24.216 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.639 6.752 -24.531 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.454 7.006 -26.062 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.238 8.607 -26.407 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.427 7.367 -25.363 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.726 6.685 -27.700 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.418 5.601 -26.935 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.072 7.741 -28.928 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.138 5.065 -26.857 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.693 4.891 -27.678 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.084 7.515 -29.989 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.230 6.281 -29.455 1.00 0.00 H new ATOM 1037 N GLU A 69 -3.618 9.563 -26.697 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.964 10.372 -27.853 1.00 0.00 C ATOM 1039 C GLU A 69 -3.835 11.859 -27.519 1.00 0.00 C ATOM 1040 O GLU A 69 -3.634 12.684 -28.409 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.373 10.042 -28.351 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.424 10.869 -27.608 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.747 10.106 -27.502 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -7.994 9.271 -28.399 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -8.480 10.376 -26.526 1.00 0.00 O ATOM 0 H GLU A 69 -4.332 8.890 -26.418 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.266 10.139 -28.657 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.440 10.239 -29.421 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.573 8.980 -28.209 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.060 11.114 -26.610 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.585 11.813 -28.129 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.956 12.156 -26.233 1.00 0.00 N ATOM 1053 CA LEU A 70 -3.855 13.530 -25.770 1.00 0.00 C ATOM 1054 C LEU A 70 -2.382 13.884 -25.555 1.00 0.00 C ATOM 1055 O LEU A 70 -1.880 14.845 -26.136 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.726 13.743 -24.530 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.167 14.187 -24.790 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.221 15.664 -25.187 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -6.838 13.289 -25.831 1.00 0.00 C ATOM 0 H LEU A 70 -4.123 11.469 -25.498 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.241 14.216 -26.524 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.750 12.812 -23.963 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.246 14.489 -23.897 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.730 14.081 -23.863 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.256 15.955 -25.366 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.807 16.272 -24.383 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.638 15.818 -26.095 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.861 13.626 -25.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.283 13.340 -26.767 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.849 12.260 -25.471 1.00 0.00 H new ATOM 1071 N SER A 71 -1.732 13.090 -24.718 1.00 0.00 N ATOM 1072 CA SER A 71 -0.326 13.308 -24.418 1.00 0.00 C ATOM 1073 C SER A 71 0.447 13.583 -25.710 1.00 0.00 C ATOM 1074 O SER A 71 1.459 14.281 -25.695 1.00 0.00 O ATOM 1075 CB SER A 71 0.273 12.106 -23.687 1.00 0.00 C ATOM 1076 OG SER A 71 0.350 10.955 -24.523 1.00 0.00 O ATOM 0 H SER A 71 -2.152 12.294 -24.238 1.00 0.00 H new ATOM 0 HA SER A 71 -0.246 14.175 -23.762 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.270 12.360 -23.328 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.332 11.877 -22.810 1.00 0.00 H new ATOM 0 HG SER A 71 -0.421 10.938 -25.127 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.060 13.018 -26.797 1.00 0.00 N ATOM 1083 CA LYS A 72 0.571 13.194 -28.094 1.00 0.00 C ATOM 1084 C LYS A 72 1.021 14.649 -28.244 1.00 0.00 C ATOM 1085 O LYS A 72 2.044 14.924 -28.870 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.361 12.720 -29.211 1.00 0.00 C ATOM 1087 CG LYS A 72 0.121 11.394 -29.802 1.00 0.00 C ATOM 1088 CD LYS A 72 0.088 10.282 -28.752 1.00 0.00 C ATOM 1089 CE LYS A 72 1.231 9.288 -28.969 1.00 0.00 C ATOM 1090 NZ LYS A 72 1.071 8.588 -30.263 1.00 0.00 N ATOM 0 H LYS A 72 -0.900 12.439 -26.806 1.00 0.00 H new ATOM 0 HA LYS A 72 1.464 12.574 -28.171 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.372 12.602 -28.820 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.408 13.476 -29.995 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.508 11.119 -30.648 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.136 11.509 -30.183 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.163 10.716 -27.755 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.867 9.759 -28.801 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.186 9.813 -28.949 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.249 8.562 -28.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.599 7.692 -30.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.063 8.392 -30.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.438 9.187 -31.030 1.00 0.00 H new ATOM 1104 N THR A 73 0.236 15.541 -27.661 1.00 0.00 N ATOM 1105 CA THR A 73 0.541 16.961 -27.721 1.00 0.00 C ATOM 1106 C THR A 73 1.146 17.434 -26.398 1.00 0.00 C ATOM 1107 O THR A 73 1.960 18.356 -26.378 1.00 0.00 O ATOM 1108 CB THR A 73 -0.741 17.704 -28.104 1.00 0.00 C ATOM 1109 OG1 THR A 73 -0.922 17.396 -29.483 1.00 0.00 O ATOM 1110 CG2 THR A 73 -0.565 19.223 -28.082 1.00 0.00 C ATOM 0 H THR A 73 -0.612 15.309 -27.144 1.00 0.00 H new ATOM 0 HA THR A 73 1.295 17.172 -28.479 1.00 0.00 H new ATOM 0 HB THR A 73 -1.542 17.421 -27.421 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.733 17.836 -29.813 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.503 19.702 -28.361 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.279 19.542 -27.080 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.213 19.509 -28.790 1.00 0.00 H new ATOM 1118 N TYR A 74 0.724 16.782 -25.325 1.00 0.00 N ATOM 1119 CA TYR A 74 1.214 17.124 -24.000 1.00 0.00 C ATOM 1120 C TYR A 74 2.306 16.151 -23.552 1.00 0.00 C ATOM 1121 O TYR A 74 2.089 15.344 -22.649 1.00 0.00 O ATOM 1122 CB TYR A 74 0.013 16.995 -23.061 1.00 0.00 C ATOM 1123 CG TYR A 74 -1.256 17.679 -23.574 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -1.166 18.870 -24.264 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -2.489 17.104 -23.347 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -2.359 19.514 -24.747 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -3.683 17.748 -23.829 1.00 0.00 C ATOM 1128 CZ TYR A 74 -3.559 18.921 -24.507 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.687 19.529 -24.962 1.00 0.00 O ATOM 0 H TYR A 74 0.048 16.018 -25.346 1.00 0.00 H new ATOM 0 HA TYR A 74 1.642 18.126 -23.995 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.197 15.938 -22.900 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.276 17.419 -22.092 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.200 19.319 -24.442 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.559 16.171 -22.808 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.302 20.447 -25.288 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.655 17.310 -23.656 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.469 18.991 -24.719 1.00 0.00 H new ATOM 1139 N ILE A 75 3.454 16.258 -24.202 1.00 0.00 N ATOM 1140 CA ILE A 75 4.580 15.398 -23.880 1.00 0.00 C ATOM 1141 C ILE A 75 5.866 16.228 -23.877 1.00 0.00 C ATOM 1142 O ILE A 75 5.964 17.231 -24.583 1.00 0.00 O ATOM 1143 CB ILE A 75 4.625 14.199 -24.830 1.00 0.00 C ATOM 1144 CG1 ILE A 75 3.800 13.033 -24.279 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.070 13.789 -25.126 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.532 12.338 -23.130 1.00 0.00 C ATOM 0 H ILE A 75 3.630 16.928 -24.951 1.00 0.00 H new ATOM 0 HA ILE A 75 4.467 14.980 -22.879 1.00 0.00 H new ATOM 0 HB ILE A 75 4.173 14.495 -25.777 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.834 13.399 -23.931 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.601 12.315 -25.075 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.074 12.935 -25.803 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.597 14.623 -25.590 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.569 13.517 -24.196 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.924 11.514 -22.757 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.487 11.952 -23.487 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.708 13.052 -22.326 1.00 0.00 H new ATOM 1158 N ILE A 76 6.819 15.779 -23.074 1.00 0.00 N ATOM 1159 CA ILE A 76 8.095 16.467 -22.970 1.00 0.00 C ATOM 1160 C ILE A 76 9.224 15.495 -23.315 1.00 0.00 C ATOM 1161 O ILE A 76 10.151 15.847 -24.043 1.00 0.00 O ATOM 1162 CB ILE A 76 8.242 17.116 -21.592 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.335 16.426 -20.774 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.903 17.142 -20.852 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.800 17.315 -19.619 1.00 0.00 C ATOM 0 H ILE A 76 6.734 14.948 -22.489 1.00 0.00 H new ATOM 0 HA ILE A 76 8.147 17.284 -23.690 1.00 0.00 H new ATOM 0 HB ILE A 76 8.552 18.151 -21.734 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.959 15.481 -20.382 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.181 16.189 -21.419 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.036 17.608 -19.876 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.178 17.714 -21.432 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.540 16.123 -20.721 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.577 16.800 -19.054 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.198 18.249 -20.016 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.956 17.530 -18.963 1.00 0.00 H new ATOM 1177 N GLY A 77 9.110 14.290 -22.775 1.00 0.00 N ATOM 1178 CA GLY A 77 10.110 13.264 -23.018 1.00 0.00 C ATOM 1179 C GLY A 77 10.217 12.310 -21.826 1.00 0.00 C ATOM 1180 O GLY A 77 9.264 11.600 -21.507 1.00 0.00 O ATOM 0 H GLY A 77 8.341 14.002 -22.170 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.850 12.703 -23.915 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.078 13.731 -23.203 1.00 0.00 H new ATOM 1184 N GLU A 78 11.384 12.324 -21.200 1.00 0.00 N ATOM 1185 CA GLU A 78 11.627 11.469 -20.050 1.00 0.00 C ATOM 1186 C GLU A 78 12.881 11.928 -19.303 1.00 0.00 C ATOM 1187 O GLU A 78 13.973 11.948 -19.870 1.00 0.00 O ATOM 1188 CB GLU A 78 11.745 10.004 -20.472 1.00 0.00 C ATOM 1189 CG GLU A 78 12.835 9.825 -21.532 1.00 0.00 C ATOM 1190 CD GLU A 78 12.717 8.460 -22.215 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.167 7.473 -21.593 1.00 0.00 O ATOM 1192 OE2 GLU A 78 12.179 8.435 -23.343 1.00 0.00 O ATOM 0 H GLU A 78 12.172 12.914 -21.467 1.00 0.00 H new ATOM 0 HA GLU A 78 10.776 11.550 -19.374 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.974 9.388 -19.602 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.790 9.657 -20.865 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.756 10.617 -22.277 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.817 9.920 -21.069 1.00 0.00 H new ATOM 1199 N LEU A 79 12.683 12.286 -18.043 1.00 0.00 N ATOM 1200 CA LEU A 79 13.784 12.742 -17.212 1.00 0.00 C ATOM 1201 C LEU A 79 14.952 11.761 -17.336 1.00 0.00 C ATOM 1202 O LEU A 79 14.770 10.628 -17.779 1.00 0.00 O ATOM 1203 CB LEU A 79 13.315 12.962 -15.773 1.00 0.00 C ATOM 1204 CG LEU A 79 13.452 11.765 -14.832 1.00 0.00 C ATOM 1205 CD1 LEU A 79 13.127 10.457 -15.558 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.837 11.731 -14.185 1.00 0.00 C ATOM 0 H LEU A 79 11.776 12.269 -17.577 1.00 0.00 H new ATOM 0 HA LEU A 79 14.144 13.712 -17.556 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.877 13.796 -15.352 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.268 13.263 -15.795 1.00 0.00 H new ATOM 0 HG LEU A 79 12.724 11.878 -14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.232 9.621 -14.866 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.104 10.493 -15.931 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.814 10.325 -16.394 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.907 10.870 -13.521 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.599 11.654 -14.961 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.993 12.645 -13.612 1.00 0.00 H new ATOM 1218 N HIS A 80 16.124 12.231 -16.935 1.00 0.00 N ATOM 1219 CA HIS A 80 17.319 11.409 -16.994 1.00 0.00 C ATOM 1220 C HIS A 80 16.989 9.989 -16.531 1.00 0.00 C ATOM 1221 O HIS A 80 16.193 9.801 -15.613 1.00 0.00 O ATOM 1222 CB HIS A 80 18.456 12.046 -16.192 1.00 0.00 C ATOM 1223 CG HIS A 80 19.836 11.664 -16.674 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.621 10.723 -16.031 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.561 12.107 -17.742 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.765 10.613 -16.691 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.726 11.471 -17.750 1.00 0.00 N ATOM 0 H HIS A 80 16.271 13.171 -16.568 1.00 0.00 H new ATOM 0 HA HIS A 80 17.670 11.345 -18.024 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.354 13.130 -16.235 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.355 11.758 -15.146 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.241 12.849 -18.459 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.585 9.958 -16.435 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.470 11.602 -18.436 1.00 0.00 H new ATOM 1235 N PRO A 81 17.636 8.999 -17.203 1.00 0.00 N ATOM 1236 CA PRO A 81 17.420 7.603 -16.870 1.00 0.00 C ATOM 1237 C PRO A 81 18.135 7.232 -15.570 1.00 0.00 C ATOM 1238 O PRO A 81 17.685 6.350 -14.839 1.00 0.00 O ATOM 1239 CB PRO A 81 17.934 6.827 -18.072 1.00 0.00 C ATOM 1240 CG PRO A 81 18.839 7.785 -18.830 1.00 0.00 C ATOM 1241 CD PRO A 81 18.588 9.185 -18.296 1.00 0.00 C ATOM 0 HA PRO A 81 16.371 7.373 -16.683 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.481 5.938 -17.758 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.110 6.489 -18.700 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.885 7.508 -18.697 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.631 7.741 -19.899 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.511 9.646 -17.944 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.181 9.837 -19.069 1.00 0.00 H new ATOM 1249 N ASP A 82 19.238 7.923 -15.320 1.00 0.00 N ATOM 1250 CA ASP A 82 20.020 7.678 -14.121 1.00 0.00 C ATOM 1251 C ASP A 82 19.265 8.221 -12.905 1.00 0.00 C ATOM 1252 O ASP A 82 19.267 7.603 -11.842 1.00 0.00 O ATOM 1253 CB ASP A 82 21.374 8.386 -14.191 1.00 0.00 C ATOM 1254 CG ASP A 82 22.558 7.570 -13.669 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.351 6.362 -13.422 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.645 8.172 -13.530 1.00 0.00 O ATOM 0 H ASP A 82 19.608 8.653 -15.928 1.00 0.00 H new ATOM 0 HA ASP A 82 20.180 6.603 -14.037 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.570 8.661 -15.227 1.00 0.00 H new ATOM 0 HB3 ASP A 82 21.312 9.313 -13.622 1.00 0.00 H new ATOM 1261 N ASP A 83 18.639 9.372 -13.103 1.00 0.00 N ATOM 1262 CA ASP A 83 17.882 10.005 -12.037 1.00 0.00 C ATOM 1263 C ASP A 83 16.541 9.287 -11.874 1.00 0.00 C ATOM 1264 O ASP A 83 15.941 9.321 -10.800 1.00 0.00 O ATOM 1265 CB ASP A 83 17.596 11.473 -12.362 1.00 0.00 C ATOM 1266 CG ASP A 83 18.816 12.396 -12.309 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.593 12.365 -13.288 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.943 13.111 -11.291 1.00 0.00 O ATOM 0 H ASP A 83 18.641 9.882 -13.986 1.00 0.00 H new ATOM 0 HA ASP A 83 18.473 9.946 -11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.159 11.530 -13.359 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.847 11.845 -11.663 1.00 0.00 H new ATOM 1273 N ARG A 84 16.109 8.655 -12.955 1.00 0.00 N ATOM 1274 CA ARG A 84 14.849 7.930 -12.945 1.00 0.00 C ATOM 1275 C ARG A 84 14.930 6.738 -11.992 1.00 0.00 C ATOM 1276 O ARG A 84 13.941 6.377 -11.357 1.00 0.00 O ATOM 1277 CB ARG A 84 14.490 7.431 -14.346 1.00 0.00 C ATOM 1278 CG ARG A 84 13.706 6.120 -14.277 1.00 0.00 C ATOM 1279 CD ARG A 84 14.649 4.915 -14.319 1.00 0.00 C ATOM 1280 NE ARG A 84 13.936 3.732 -14.852 1.00 0.00 N ATOM 1281 CZ ARG A 84 14.544 2.674 -15.404 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.881 2.644 -15.499 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.817 1.646 -15.861 1.00 0.00 N ATOM 0 H ARG A 84 16.609 8.630 -13.844 1.00 0.00 H new ATOM 0 HA ARG A 84 14.074 8.617 -12.607 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.898 8.186 -14.864 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.400 7.284 -14.928 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.116 6.093 -13.361 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.005 6.067 -15.110 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.513 5.141 -14.944 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.026 4.703 -13.318 1.00 0.00 H new ATOM 0 HE ARG A 84 12.918 3.722 -14.795 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.435 3.427 -15.151 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.344 1.838 -15.919 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.800 1.669 -15.789 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.281 0.841 -16.281 1.00 0.00 H new ATOM 1297 N SER A 85 16.119 6.157 -11.921 1.00 0.00 N ATOM 1298 CA SER A 85 16.343 5.012 -11.056 1.00 0.00 C ATOM 1299 C SER A 85 16.480 5.472 -9.603 1.00 0.00 C ATOM 1300 O SER A 85 16.496 4.653 -8.686 1.00 0.00 O ATOM 1301 CB SER A 85 17.587 4.232 -11.485 1.00 0.00 C ATOM 1302 OG SER A 85 17.758 3.038 -10.725 1.00 0.00 O ATOM 0 H SER A 85 16.938 6.459 -12.449 1.00 0.00 H new ATOM 0 HA SER A 85 15.483 4.347 -11.140 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.510 3.980 -12.543 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.468 4.864 -11.371 1.00 0.00 H new ATOM 0 HG SER A 85 17.282 3.122 -9.872 1.00 0.00 H new ATOM 1308 N LYS A 86 16.576 6.784 -9.438 1.00 0.00 N ATOM 1309 CA LYS A 86 16.711 7.363 -8.113 1.00 0.00 C ATOM 1310 C LYS A 86 15.321 7.561 -7.503 1.00 0.00 C ATOM 1311 O LYS A 86 15.169 7.556 -6.282 1.00 0.00 O ATOM 1312 CB LYS A 86 17.546 8.644 -8.170 1.00 0.00 C ATOM 1313 CG LYS A 86 19.014 8.330 -8.463 1.00 0.00 C ATOM 1314 CD LYS A 86 19.919 8.848 -7.345 1.00 0.00 C ATOM 1315 CE LYS A 86 20.943 7.790 -6.933 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.813 8.303 -5.850 1.00 0.00 N ATOM 0 H LYS A 86 16.563 7.462 -10.200 1.00 0.00 H new ATOM 0 HA LYS A 86 17.255 6.685 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.151 9.305 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.467 9.176 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.145 7.253 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.305 8.784 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.435 9.748 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.314 9.128 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.429 6.889 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.551 7.509 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.502 7.572 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.318 9.150 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.231 8.549 -5.024 1.00 0.00 H new ATOM 1330 N ILE A 87 14.344 7.732 -8.381 1.00 0.00 N ATOM 1331 CA ILE A 87 12.972 7.931 -7.945 1.00 0.00 C ATOM 1332 C ILE A 87 12.490 6.681 -7.206 1.00 0.00 C ATOM 1333 O ILE A 87 11.443 6.702 -6.561 1.00 0.00 O ATOM 1334 CB ILE A 87 12.086 8.328 -9.127 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.380 9.760 -9.576 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.607 8.122 -8.796 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.786 10.774 -8.596 1.00 0.00 C ATOM 0 H ILE A 87 14.475 7.737 -9.393 1.00 0.00 H new ATOM 0 HA ILE A 87 12.913 8.761 -7.240 1.00 0.00 H new ATOM 0 HB ILE A 87 12.322 7.674 -9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 87 13.457 9.908 -9.650 1.00 0.00 H new ATOM 0 HG13 ILE A 87 11.967 9.925 -10.571 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.999 8.412 -9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.429 7.072 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.338 8.735 -7.936 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.009 11.785 -8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.706 10.639 -8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 87 12.219 10.622 -7.608 1.00 0.00 H new ATOM 1349 N ALA A 88 13.276 5.622 -7.326 1.00 0.00 N ATOM 1350 CA ALA A 88 12.942 4.365 -6.678 1.00 0.00 C ATOM 1351 C ALA A 88 12.821 4.590 -5.170 1.00 0.00 C ATOM 1352 O ALA A 88 13.751 4.301 -4.418 1.00 0.00 O ATOM 1353 CB ALA A 88 13.998 3.313 -7.028 1.00 0.00 C ATOM 0 H ALA A 88 14.143 5.608 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 88 11.981 3.993 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.747 2.370 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.024 3.169 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.976 3.650 -6.684 1.00 0.00 H new