USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 600 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 15 SER OG : rot -90:sc= -0.13 USER MOD Set 1.2: A 23 LYS NZ :NH3+ 148:sc= -0.133 (180deg=0) USER MOD Set 2.1: A 1 MET CE :methyl -121:sc= -0.381 (180deg=-0.414) USER MOD Set 2.2: A 5 GLN : amide:sc= -0.147 K(o=-0.53,f=-2.7!) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0778) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -126:sc= 0.721 (180deg=-0.0949) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0149 (180deg=-0.194) USER MOD Single : A 17 THR OG1 : rot -80:sc= 0.165 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.66! X(o=-0.66!,f=-0.89) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0813 USER MOD Single : A 41 THR OG1 : rot -130:sc= 0 USER MOD Single : A 45 SER OG : rot -78:sc= 1.32 USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.121) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.0482 (180deg=-0.338) USER MOD Single : A 52 GLN : amide:sc= -3.03 K(o=-3,f=-8.7!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -40:sc= 1.03 USER MOD Single : A 60 GLN : amide:sc= 0.342 K(o=0.34,f=-6.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0643) USER MOD Single : A 71 THR OG1 : rot 43:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.005 7.708 -25.762 1.00 0.00 N ATOM 2 CA MET A 1 19.149 8.552 -26.179 1.00 0.00 C ATOM 3 C MET A 1 18.849 10.020 -25.901 1.00 0.00 C ATOM 4 O MET A 1 18.327 10.735 -26.758 1.00 0.00 O ATOM 5 CB MET A 1 19.457 8.352 -27.667 1.00 0.00 C ATOM 6 CG MET A 1 19.962 6.958 -28.004 1.00 0.00 C ATOM 7 SD MET A 1 20.339 6.745 -29.756 1.00 0.00 S ATOM 8 CE MET A 1 18.710 6.923 -30.486 1.00 0.00 C ATOM 0 H1 MET A 1 18.282 6.706 -25.797 1.00 0.00 H new ATOM 0 H2 MET A 1 17.726 7.957 -24.792 1.00 0.00 H new ATOM 0 H3 MET A 1 17.203 7.868 -26.405 1.00 0.00 H new ATOM 0 HA MET A 1 20.024 8.252 -25.602 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.555 8.552 -28.246 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.203 9.084 -27.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.858 6.751 -27.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.211 6.225 -27.708 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.458 6.017 -31.038 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.974 7.085 -29.698 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.707 7.775 -31.166 1.00 0.00 H new ATOM 20 N VAL A 2 19.183 10.462 -24.695 1.00 0.00 N ATOM 21 CA VAL A 2 18.866 11.814 -24.255 1.00 0.00 C ATOM 22 C VAL A 2 19.920 12.817 -24.734 1.00 0.00 C ATOM 23 O VAL A 2 19.675 14.024 -24.770 1.00 0.00 O ATOM 24 CB VAL A 2 18.737 11.868 -22.712 1.00 0.00 C ATOM 25 CG1 VAL A 2 20.064 11.547 -22.040 1.00 0.00 C ATOM 26 CG2 VAL A 2 18.208 13.218 -22.250 1.00 0.00 C ATOM 0 H VAL A 2 19.676 9.900 -24.001 1.00 0.00 H new ATOM 0 HA VAL A 2 17.910 12.091 -24.698 1.00 0.00 H new ATOM 0 HB VAL A 2 18.016 11.107 -22.414 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.944 11.592 -20.958 1.00 0.00 H new ATOM 0 HG12 VAL A 2 20.385 10.546 -22.328 1.00 0.00 H new ATOM 0 HG13 VAL A 2 20.815 12.273 -22.352 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.129 13.225 -21.163 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.891 14.005 -22.569 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.225 13.392 -22.687 1.00 0.00 H new ATOM 36 N LEU A 3 21.085 12.315 -25.119 1.00 0.00 N ATOM 37 CA LEU A 3 22.161 13.177 -25.590 1.00 0.00 C ATOM 38 C LEU A 3 22.184 13.224 -27.112 1.00 0.00 C ATOM 39 O LEU A 3 23.079 13.821 -27.713 1.00 0.00 O ATOM 40 CB LEU A 3 23.515 12.692 -25.062 1.00 0.00 C ATOM 41 CG LEU A 3 23.664 12.687 -23.539 1.00 0.00 C ATOM 42 CD1 LEU A 3 25.053 12.210 -23.146 1.00 0.00 C ATOM 43 CD2 LEU A 3 23.394 14.072 -22.968 1.00 0.00 C ATOM 0 H LEU A 3 21.309 11.320 -25.115 1.00 0.00 H new ATOM 0 HA LEU A 3 21.977 14.182 -25.210 1.00 0.00 H new ATOM 0 HB2 LEU A 3 23.688 11.681 -25.430 1.00 0.00 H new ATOM 0 HB3 LEU A 3 24.297 13.323 -25.484 1.00 0.00 H new ATOM 0 HG LEU A 3 22.929 11.998 -23.123 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.144 12.212 -22.060 1.00 0.00 H new ATOM 0 HD12 LEU A 3 25.210 11.199 -23.522 1.00 0.00 H new ATOM 0 HD13 LEU A 3 25.801 12.877 -23.574 1.00 0.00 H new ATOM 0 HD21 LEU A 3 23.505 14.047 -21.884 1.00 0.00 H new ATOM 0 HD22 LEU A 3 24.104 14.784 -23.389 1.00 0.00 H new ATOM 0 HD23 LEU A 3 22.379 14.379 -23.222 1.00 0.00 H new ATOM 55 N ARG A 4 21.189 12.603 -27.728 1.00 0.00 N ATOM 56 CA ARG A 4 21.106 12.538 -29.179 1.00 0.00 C ATOM 57 C ARG A 4 19.725 12.980 -29.650 1.00 0.00 C ATOM 58 O ARG A 4 18.777 13.005 -28.863 1.00 0.00 O ATOM 59 CB ARG A 4 21.397 11.117 -29.666 1.00 0.00 C ATOM 60 CG ARG A 4 22.759 10.595 -29.238 1.00 0.00 C ATOM 61 CD ARG A 4 22.935 9.129 -29.593 1.00 0.00 C ATOM 62 NE ARG A 4 24.197 8.596 -29.088 1.00 0.00 N ATOM 63 CZ ARG A 4 24.551 7.314 -29.164 1.00 0.00 C ATOM 64 NH1 ARG A 4 23.740 6.427 -29.725 1.00 0.00 N ATOM 65 NH2 ARG A 4 25.717 6.919 -28.676 1.00 0.00 N ATOM 0 H ARG A 4 20.424 12.135 -27.242 1.00 0.00 H new ATOM 0 HA ARG A 4 21.853 13.212 -29.599 1.00 0.00 H new ATOM 0 HB2 ARG A 4 20.625 10.447 -29.288 1.00 0.00 H new ATOM 0 HB3 ARG A 4 21.334 11.094 -30.754 1.00 0.00 H new ATOM 0 HG2 ARG A 4 23.541 11.182 -29.719 1.00 0.00 H new ATOM 0 HG3 ARG A 4 22.877 10.726 -28.162 1.00 0.00 H new ATOM 0 HD2 ARG A 4 22.106 8.553 -29.181 1.00 0.00 H new ATOM 0 HD3 ARG A 4 22.898 9.010 -30.676 1.00 0.00 H new ATOM 0 HE ARG A 4 24.849 9.246 -28.649 1.00 0.00 H new ATOM 0 HH11 ARG A 4 22.840 6.725 -30.101 1.00 0.00 H new ATOM 0 HH12 ARG A 4 24.016 5.447 -29.780 1.00 0.00 H new ATOM 0 HH21 ARG A 4 26.344 7.596 -28.242 1.00 0.00 H new ATOM 0 HH22 ARG A 4 25.988 5.937 -28.734 1.00 0.00 H new ATOM 79 N GLN A 5 19.628 13.331 -30.931 1.00 0.00 N ATOM 80 CA GLN A 5 18.384 13.810 -31.536 1.00 0.00 C ATOM 81 C GLN A 5 17.839 15.038 -30.806 1.00 0.00 C ATOM 82 O GLN A 5 16.630 15.285 -30.794 1.00 0.00 O ATOM 83 CB GLN A 5 17.315 12.709 -31.591 1.00 0.00 C ATOM 84 CG GLN A 5 17.617 11.604 -32.593 1.00 0.00 C ATOM 85 CD GLN A 5 18.564 10.551 -32.052 1.00 0.00 C ATOM 86 OE1 GLN A 5 18.552 10.244 -30.860 1.00 0.00 O ATOM 87 NE2 GLN A 5 19.395 10.001 -32.919 1.00 0.00 N ATOM 0 H GLN A 5 20.412 13.291 -31.582 1.00 0.00 H new ATOM 0 HA GLN A 5 18.627 14.098 -32.559 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.211 12.268 -30.600 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.355 13.161 -31.842 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.683 11.126 -32.890 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.049 12.045 -33.491 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.371 10.285 -33.898 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.060 9.293 -32.609 1.00 0.00 H new ATOM 96 N LEU A 6 18.738 15.804 -30.206 1.00 0.00 N ATOM 97 CA LEU A 6 18.365 17.037 -29.525 1.00 0.00 C ATOM 98 C LEU A 6 18.769 18.240 -30.366 1.00 0.00 C ATOM 99 O LEU A 6 18.473 19.387 -30.030 1.00 0.00 O ATOM 100 CB LEU A 6 18.991 17.100 -28.121 1.00 0.00 C ATOM 101 CG LEU A 6 20.486 16.752 -28.017 1.00 0.00 C ATOM 102 CD1 LEU A 6 21.363 17.842 -28.619 1.00 0.00 C ATOM 103 CD2 LEU A 6 20.868 16.517 -26.566 1.00 0.00 C ATOM 0 H LEU A 6 19.735 15.593 -30.176 1.00 0.00 H new ATOM 0 HA LEU A 6 17.282 17.055 -29.400 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.848 18.107 -27.729 1.00 0.00 H new ATOM 0 HB3 LEU A 6 18.438 16.423 -27.471 1.00 0.00 H new ATOM 0 HG LEU A 6 20.653 15.839 -28.588 1.00 0.00 H new ATOM 0 HD11 LEU A 6 22.411 17.558 -28.526 1.00 0.00 H new ATOM 0 HD12 LEU A 6 21.114 17.969 -29.672 1.00 0.00 H new ATOM 0 HD13 LEU A 6 21.192 18.780 -28.090 1.00 0.00 H new ATOM 0 HD21 LEU A 6 21.928 16.271 -26.504 1.00 0.00 H new ATOM 0 HD22 LEU A 6 20.670 17.419 -25.987 1.00 0.00 H new ATOM 0 HD23 LEU A 6 20.280 15.692 -26.164 1.00 0.00 H new ATOM 115 N SER A 7 19.442 17.962 -31.476 1.00 0.00 N ATOM 116 CA SER A 7 19.867 19.000 -32.400 1.00 0.00 C ATOM 117 C SER A 7 18.700 19.432 -33.283 1.00 0.00 C ATOM 118 O SER A 7 18.819 20.355 -34.089 1.00 0.00 O ATOM 119 CB SER A 7 21.026 18.494 -33.259 1.00 0.00 C ATOM 120 OG SER A 7 22.084 18.013 -32.445 1.00 0.00 O ATOM 0 H SER A 7 19.706 17.018 -31.757 1.00 0.00 H new ATOM 0 HA SER A 7 20.206 19.864 -31.828 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.677 17.698 -33.917 1.00 0.00 H new ATOM 0 HB3 SER A 7 21.390 19.299 -33.898 1.00 0.00 H new ATOM 0 HG SER A 7 22.815 17.692 -33.014 1.00 0.00 H new ATOM 126 N ARG A 8 17.567 18.760 -33.107 1.00 0.00 N ATOM 127 CA ARG A 8 16.345 19.078 -33.835 1.00 0.00 C ATOM 128 C ARG A 8 15.945 20.534 -33.614 1.00 0.00 C ATOM 129 O ARG A 8 15.371 21.170 -34.495 1.00 0.00 O ATOM 130 CB ARG A 8 15.207 18.150 -33.387 1.00 0.00 C ATOM 131 CG ARG A 8 14.847 18.289 -31.910 1.00 0.00 C ATOM 132 CD ARG A 8 13.694 17.377 -31.521 1.00 0.00 C ATOM 133 NE ARG A 8 14.058 15.962 -31.587 1.00 0.00 N ATOM 134 CZ ARG A 8 13.266 15.010 -32.079 1.00 0.00 C ATOM 135 NH1 ARG A 8 12.089 15.323 -32.613 1.00 0.00 N ATOM 136 NH2 ARG A 8 13.654 13.742 -32.047 1.00 0.00 N ATOM 0 H ARG A 8 17.471 17.980 -32.456 1.00 0.00 H new ATOM 0 HA ARG A 8 16.532 18.929 -34.898 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.322 18.358 -33.989 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.492 17.117 -33.587 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.719 18.053 -31.300 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.579 19.324 -31.697 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.368 17.619 -30.510 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.848 17.563 -32.182 1.00 0.00 H new ATOM 0 HE ARG A 8 14.975 15.687 -31.235 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.788 16.297 -32.648 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.488 14.589 -32.988 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.559 13.495 -31.646 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.048 13.013 -32.424 1.00 0.00 H new ATOM 150 N LYS A 9 16.289 21.064 -32.444 1.00 0.00 N ATOM 151 CA LYS A 9 15.904 22.419 -32.067 1.00 0.00 C ATOM 152 C LYS A 9 16.645 23.465 -32.898 1.00 0.00 C ATOM 153 O LYS A 9 16.296 24.642 -32.875 1.00 0.00 O ATOM 154 CB LYS A 9 16.162 22.649 -30.576 1.00 0.00 C ATOM 155 CG LYS A 9 17.626 22.565 -30.187 1.00 0.00 C ATOM 156 CD LYS A 9 17.806 22.716 -28.686 1.00 0.00 C ATOM 157 CE LYS A 9 19.273 22.748 -28.296 1.00 0.00 C ATOM 158 NZ LYS A 9 19.980 21.491 -28.657 1.00 0.00 N ATOM 0 H LYS A 9 16.837 20.572 -31.738 1.00 0.00 H new ATOM 0 HA LYS A 9 14.838 22.528 -32.266 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.778 23.630 -30.298 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.600 21.912 -30.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.037 21.609 -30.511 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.187 23.344 -30.703 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.321 23.633 -28.352 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.312 21.889 -28.175 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.759 23.590 -28.788 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.358 22.914 -27.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.453 21.104 -27.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.294 20.798 -29.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.689 21.690 -29.391 1.00 0.00 H new ATOM 172 N ALA A 10 17.677 23.036 -33.616 1.00 0.00 N ATOM 173 CA ALA A 10 18.400 23.930 -34.509 1.00 0.00 C ATOM 174 C ALA A 10 17.604 24.138 -35.791 1.00 0.00 C ATOM 175 O ALA A 10 17.627 25.215 -36.389 1.00 0.00 O ATOM 176 CB ALA A 10 19.782 23.374 -34.818 1.00 0.00 C ATOM 0 H ALA A 10 18.030 22.079 -33.597 1.00 0.00 H new ATOM 0 HA ALA A 10 18.527 24.894 -34.016 1.00 0.00 H new ATOM 0 HB1 ALA A 10 20.307 24.056 -35.487 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.347 23.267 -33.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.684 22.400 -35.297 1.00 0.00 H new ATOM 182 N SER A 11 16.888 23.101 -36.198 1.00 0.00 N ATOM 183 CA SER A 11 16.064 23.161 -37.389 1.00 0.00 C ATOM 184 C SER A 11 14.692 23.734 -37.049 1.00 0.00 C ATOM 185 O SER A 11 14.129 24.520 -37.814 1.00 0.00 O ATOM 186 CB SER A 11 15.929 21.764 -38.004 1.00 0.00 C ATOM 187 OG SER A 11 15.201 21.797 -39.221 1.00 0.00 O ATOM 0 H SER A 11 16.863 22.203 -35.715 1.00 0.00 H new ATOM 0 HA SER A 11 16.540 23.816 -38.119 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.920 21.348 -38.184 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.428 21.102 -37.298 1.00 0.00 H new ATOM 0 HG SER A 11 15.135 20.890 -39.587 1.00 0.00 H new ATOM 193 N VAL A 12 14.165 23.356 -35.889 1.00 0.00 N ATOM 194 CA VAL A 12 12.874 23.857 -35.448 1.00 0.00 C ATOM 195 C VAL A 12 12.981 25.318 -35.058 1.00 0.00 C ATOM 196 O VAL A 12 13.766 25.696 -34.185 1.00 0.00 O ATOM 197 CB VAL A 12 12.309 23.064 -34.257 1.00 0.00 C ATOM 198 CG1 VAL A 12 10.919 23.563 -33.884 1.00 0.00 C ATOM 199 CG2 VAL A 12 12.279 21.578 -34.566 1.00 0.00 C ATOM 0 H VAL A 12 14.612 22.707 -35.242 1.00 0.00 H new ATOM 0 HA VAL A 12 12.191 23.737 -36.289 1.00 0.00 H new ATOM 0 HB VAL A 12 12.967 23.222 -33.403 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.540 22.987 -33.040 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.972 24.617 -33.610 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.249 23.443 -34.735 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.876 21.036 -33.710 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.649 21.400 -35.437 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.291 21.229 -34.773 1.00 0.00 H new ATOM 209 N LYS A 13 12.200 26.127 -35.730 1.00 0.00 N ATOM 210 CA LYS A 13 12.155 27.552 -35.475 1.00 0.00 C ATOM 211 C LYS A 13 10.751 28.062 -35.784 1.00 0.00 C ATOM 212 O LYS A 13 10.524 29.260 -35.968 1.00 0.00 O ATOM 213 CB LYS A 13 13.207 28.265 -36.329 1.00 0.00 C ATOM 214 CG LYS A 13 13.499 29.688 -35.888 1.00 0.00 C ATOM 215 CD LYS A 13 14.662 30.293 -36.661 1.00 0.00 C ATOM 216 CE LYS A 13 14.362 30.385 -38.148 1.00 0.00 C ATOM 217 NZ LYS A 13 15.498 30.960 -38.913 1.00 0.00 N ATOM 0 H LYS A 13 11.574 25.818 -36.473 1.00 0.00 H new ATOM 0 HA LYS A 13 12.381 27.757 -34.429 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.133 27.690 -36.302 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.870 28.279 -37.366 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.610 30.302 -36.030 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.727 29.699 -34.822 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.880 31.288 -36.272 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.555 29.688 -36.507 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.132 29.392 -38.533 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.475 30.999 -38.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.250 31.004 -39.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.702 31.918 -38.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.339 30.361 -38.789 1.00 0.00 H new ATOM 231 N VAL A 14 9.813 27.127 -35.829 1.00 0.00 N ATOM 232 CA VAL A 14 8.427 27.425 -36.156 1.00 0.00 C ATOM 233 C VAL A 14 7.498 26.807 -35.123 1.00 0.00 C ATOM 234 O VAL A 14 7.960 26.174 -34.171 1.00 0.00 O ATOM 235 CB VAL A 14 8.041 26.890 -37.553 1.00 0.00 C ATOM 236 CG1 VAL A 14 8.720 27.692 -38.647 1.00 0.00 C ATOM 237 CG2 VAL A 14 8.392 25.414 -37.679 1.00 0.00 C ATOM 0 H VAL A 14 9.992 26.141 -35.640 1.00 0.00 H new ATOM 0 HA VAL A 14 8.323 28.510 -36.156 1.00 0.00 H new ATOM 0 HB VAL A 14 6.963 27.000 -37.670 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.432 27.296 -39.621 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.415 28.736 -38.576 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.802 27.621 -38.532 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.112 25.057 -38.670 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.464 25.281 -37.535 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.851 24.846 -36.922 1.00 0.00 H new ATOM 247 N SER A 15 6.195 26.992 -35.319 1.00 0.00 N ATOM 248 CA SER A 15 5.181 26.433 -34.430 1.00 0.00 C ATOM 249 C SER A 15 5.272 27.060 -33.040 1.00 0.00 C ATOM 250 O SER A 15 4.946 26.428 -32.031 1.00 0.00 O ATOM 251 CB SER A 15 5.329 24.909 -34.344 1.00 0.00 C ATOM 252 OG SER A 15 5.311 24.321 -35.636 1.00 0.00 O ATOM 0 H SER A 15 5.814 27.532 -36.096 1.00 0.00 H new ATOM 0 HA SER A 15 4.199 26.664 -34.842 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.263 24.659 -33.840 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.521 24.495 -33.741 1.00 0.00 H new ATOM 0 HG SER A 15 4.389 24.098 -35.881 1.00 0.00 H new ATOM 258 N LYS A 16 5.707 28.314 -32.992 1.00 0.00 N ATOM 259 CA LYS A 16 5.861 29.016 -31.729 1.00 0.00 C ATOM 260 C LYS A 16 4.514 29.580 -31.289 1.00 0.00 C ATOM 261 O LYS A 16 4.229 30.766 -31.461 1.00 0.00 O ATOM 262 CB LYS A 16 6.911 30.129 -31.855 1.00 0.00 C ATOM 263 CG LYS A 16 7.594 30.506 -30.540 1.00 0.00 C ATOM 264 CD LYS A 16 6.638 31.174 -29.562 1.00 0.00 C ATOM 265 CE LYS A 16 7.282 31.392 -28.204 1.00 0.00 C ATOM 266 NZ LYS A 16 7.529 30.111 -27.493 1.00 0.00 N ATOM 0 H LYS A 16 5.958 28.863 -33.814 1.00 0.00 H new ATOM 0 HA LYS A 16 6.210 28.316 -30.970 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.673 29.814 -32.568 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.434 31.017 -32.270 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.012 29.610 -30.081 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.427 31.178 -30.746 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.313 32.132 -29.968 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.746 30.558 -29.447 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.225 31.924 -28.331 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.638 32.026 -27.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.760 30.305 -26.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.677 29.517 -27.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.324 29.613 -27.942 1.00 0.00 H new ATOM 280 N THR A 17 3.686 28.707 -30.741 1.00 0.00 N ATOM 281 CA THR A 17 2.382 29.079 -30.234 1.00 0.00 C ATOM 282 C THR A 17 1.735 27.884 -29.537 1.00 0.00 C ATOM 283 O THR A 17 1.137 28.018 -28.469 1.00 0.00 O ATOM 284 CB THR A 17 1.473 29.627 -31.360 1.00 0.00 C ATOM 285 OG1 THR A 17 0.182 29.982 -30.844 1.00 0.00 O ATOM 286 CG2 THR A 17 1.318 28.622 -32.493 1.00 0.00 C ATOM 0 H THR A 17 3.903 27.716 -30.636 1.00 0.00 H new ATOM 0 HA THR A 17 2.511 29.881 -29.507 1.00 0.00 H new ATOM 0 HB THR A 17 1.955 30.519 -31.759 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.366 29.175 -30.750 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.673 29.041 -33.265 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.297 28.400 -32.918 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.873 27.705 -32.107 1.00 0.00 H new ATOM 294 N TRP A 18 1.886 26.709 -30.133 1.00 0.00 N ATOM 295 CA TRP A 18 1.394 25.471 -29.539 1.00 0.00 C ATOM 296 C TRP A 18 2.487 24.402 -29.542 1.00 0.00 C ATOM 297 O TRP A 18 2.229 23.235 -29.239 1.00 0.00 O ATOM 298 CB TRP A 18 0.158 24.960 -30.289 1.00 0.00 C ATOM 299 CG TRP A 18 -1.092 25.746 -30.018 1.00 0.00 C ATOM 300 CD1 TRP A 18 -1.489 26.899 -30.633 1.00 0.00 C ATOM 301 CD2 TRP A 18 -2.117 25.422 -29.071 1.00 0.00 C ATOM 302 NE1 TRP A 18 -2.694 27.314 -30.121 1.00 0.00 N ATOM 303 CE2 TRP A 18 -3.099 26.426 -29.159 1.00 0.00 C ATOM 304 CE3 TRP A 18 -2.297 24.385 -28.152 1.00 0.00 C ATOM 305 CZ2 TRP A 18 -4.243 26.420 -28.365 1.00 0.00 C ATOM 306 CZ3 TRP A 18 -3.434 24.379 -27.366 1.00 0.00 C ATOM 307 CH2 TRP A 18 -4.394 25.393 -27.478 1.00 0.00 C ATOM 0 H TRP A 18 2.349 26.586 -31.034 1.00 0.00 H new ATOM 0 HA TRP A 18 1.111 25.682 -28.508 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.362 24.980 -31.360 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.014 23.919 -30.017 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.937 27.409 -31.408 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.205 28.148 -30.410 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.560 23.601 -28.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.985 27.200 -28.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.585 23.580 -26.655 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.272 25.362 -26.850 1.00 0.00 H new ATOM 318 N SER A 19 3.705 24.816 -29.894 1.00 0.00 N ATOM 319 CA SER A 19 4.875 23.933 -29.924 1.00 0.00 C ATOM 320 C SER A 19 4.716 22.804 -30.946 1.00 0.00 C ATOM 321 O SER A 19 5.392 21.778 -30.863 1.00 0.00 O ATOM 322 CB SER A 19 5.146 23.360 -28.529 1.00 0.00 C ATOM 323 OG SER A 19 5.294 24.402 -27.577 1.00 0.00 O ATOM 0 H SER A 19 3.910 25.777 -30.168 1.00 0.00 H new ATOM 0 HA SER A 19 5.730 24.533 -30.235 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.326 22.705 -28.234 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.049 22.750 -28.551 1.00 0.00 H new ATOM 0 HG SER A 19 5.465 24.015 -26.693 1.00 0.00 H new ATOM 329 N GLY A 20 3.828 23.006 -31.912 1.00 0.00 N ATOM 330 CA GLY A 20 3.598 22.003 -32.936 1.00 0.00 C ATOM 331 C GLY A 20 2.936 20.757 -32.384 1.00 0.00 C ATOM 332 O GLY A 20 3.053 19.675 -32.963 1.00 0.00 O ATOM 0 H GLY A 20 3.261 23.849 -32.005 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.972 22.426 -33.722 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.548 21.733 -33.396 1.00 0.00 H new ATOM 336 N THR A 21 2.229 20.914 -31.271 1.00 0.00 N ATOM 337 CA THR A 21 1.591 19.792 -30.597 1.00 0.00 C ATOM 338 C THR A 21 0.545 19.130 -31.495 1.00 0.00 C ATOM 339 O THR A 21 0.340 17.921 -31.427 1.00 0.00 O ATOM 340 CB THR A 21 0.930 20.234 -29.267 1.00 0.00 C ATOM 341 OG1 THR A 21 0.462 19.094 -28.532 1.00 0.00 O ATOM 342 CG2 THR A 21 -0.233 21.179 -29.526 1.00 0.00 C ATOM 0 H THR A 21 2.083 21.814 -30.814 1.00 0.00 H new ATOM 0 HA THR A 21 2.374 19.067 -30.374 1.00 0.00 H new ATOM 0 HB THR A 21 1.686 20.755 -28.680 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.049 19.392 -27.695 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.680 21.475 -28.577 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.127 22.065 -30.049 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.981 20.676 -30.138 1.00 0.00 H new ATOM 350 N LYS A 22 -0.087 19.921 -32.356 1.00 0.00 N ATOM 351 CA LYS A 22 -1.157 19.420 -33.201 1.00 0.00 C ATOM 352 C LYS A 22 -0.623 18.417 -34.218 1.00 0.00 C ATOM 353 O LYS A 22 -1.243 17.383 -34.465 1.00 0.00 O ATOM 354 CB LYS A 22 -1.861 20.576 -33.911 1.00 0.00 C ATOM 355 CG LYS A 22 -3.058 20.144 -34.742 1.00 0.00 C ATOM 356 CD LYS A 22 -3.699 21.321 -35.460 1.00 0.00 C ATOM 357 CE LYS A 22 -4.219 22.365 -34.484 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.879 23.497 -35.182 1.00 0.00 N ATOM 0 H LYS A 22 0.125 20.910 -32.485 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.880 18.908 -32.566 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.189 21.302 -33.167 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.145 21.084 -34.557 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.744 19.399 -35.473 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.795 19.666 -34.097 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.970 21.780 -36.128 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.520 20.964 -36.081 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.927 21.900 -33.798 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.392 22.742 -33.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.219 24.186 -34.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.197 23.958 -35.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.684 23.141 -35.736 1.00 0.00 H new ATOM 372 N LYS A 23 0.535 18.708 -34.802 1.00 0.00 N ATOM 373 CA LYS A 23 1.112 17.801 -35.785 1.00 0.00 C ATOM 374 C LYS A 23 1.878 16.674 -35.096 1.00 0.00 C ATOM 375 O LYS A 23 2.020 15.584 -35.648 1.00 0.00 O ATOM 376 CB LYS A 23 2.015 18.528 -36.789 1.00 0.00 C ATOM 377 CG LYS A 23 3.255 19.173 -36.191 1.00 0.00 C ATOM 378 CD LYS A 23 4.301 19.429 -37.266 1.00 0.00 C ATOM 379 CE LYS A 23 5.491 20.206 -36.731 1.00 0.00 C ATOM 380 NZ LYS A 23 5.186 21.653 -36.567 1.00 0.00 N ATOM 0 H LYS A 23 1.083 19.548 -34.616 1.00 0.00 H new ATOM 0 HA LYS A 23 0.283 17.373 -36.348 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.327 17.817 -37.554 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.429 19.299 -37.290 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.985 20.112 -35.708 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.671 18.526 -35.419 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.643 18.477 -37.672 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.847 19.982 -38.088 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.794 19.789 -35.771 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.335 20.089 -37.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.727 22.033 -35.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.449 22.164 -37.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.169 21.775 -36.388 1.00 0.00 H new ATOM 394 N ARG A 24 2.363 16.935 -33.890 1.00 0.00 N ATOM 395 CA ARG A 24 3.062 15.922 -33.121 1.00 0.00 C ATOM 396 C ARG A 24 2.084 14.858 -32.626 1.00 0.00 C ATOM 397 O ARG A 24 2.323 13.661 -32.783 1.00 0.00 O ATOM 398 CB ARG A 24 3.787 16.573 -31.944 1.00 0.00 C ATOM 399 CG ARG A 24 4.591 15.602 -31.099 1.00 0.00 C ATOM 400 CD ARG A 24 5.335 16.327 -29.995 1.00 0.00 C ATOM 401 NE ARG A 24 6.085 15.403 -29.145 1.00 0.00 N ATOM 402 CZ ARG A 24 6.755 15.762 -28.049 1.00 0.00 C ATOM 403 NH1 ARG A 24 6.772 17.033 -27.658 1.00 0.00 N ATOM 404 NH2 ARG A 24 7.403 14.844 -27.337 1.00 0.00 N ATOM 0 H ARG A 24 2.284 17.840 -33.426 1.00 0.00 H new ATOM 0 HA ARG A 24 3.797 15.436 -33.762 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.455 17.346 -32.325 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.054 17.070 -31.309 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.926 14.856 -30.664 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.301 15.067 -31.730 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.019 17.053 -30.434 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.625 16.886 -29.385 1.00 0.00 H new ATOM 0 HE ARG A 24 6.096 14.418 -29.408 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.271 17.739 -28.197 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.286 17.302 -26.819 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.387 13.867 -27.629 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.916 15.117 -26.499 1.00 0.00 H new ATOM 418 N ALA A 25 0.966 15.309 -32.060 1.00 0.00 N ATOM 419 CA ALA A 25 -0.035 14.411 -31.494 1.00 0.00 C ATOM 420 C ALA A 25 -0.630 13.489 -32.550 1.00 0.00 C ATOM 421 O ALA A 25 -0.801 12.297 -32.303 1.00 0.00 O ATOM 422 CB ALA A 25 -1.137 15.205 -30.810 1.00 0.00 C ATOM 0 H ALA A 25 0.731 16.298 -31.982 1.00 0.00 H new ATOM 0 HA ALA A 25 0.468 13.788 -30.754 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.875 14.519 -30.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.708 15.807 -30.009 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.619 15.859 -31.537 1.00 0.00 H new ATOM 428 N GLN A 26 -0.935 14.035 -33.726 1.00 0.00 N ATOM 429 CA GLN A 26 -1.534 13.241 -34.799 1.00 0.00 C ATOM 430 C GLN A 26 -0.540 12.214 -35.341 1.00 0.00 C ATOM 431 O GLN A 26 -0.925 11.116 -35.743 1.00 0.00 O ATOM 432 CB GLN A 26 -2.045 14.144 -35.927 1.00 0.00 C ATOM 433 CG GLN A 26 -0.956 14.951 -36.612 1.00 0.00 C ATOM 434 CD GLN A 26 -1.502 15.899 -37.658 1.00 0.00 C ATOM 435 OE1 GLN A 26 -1.629 15.548 -38.830 1.00 0.00 O ATOM 436 NE2 GLN A 26 -1.836 17.107 -37.238 1.00 0.00 N ATOM 0 H GLN A 26 -0.779 15.016 -33.960 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.384 12.702 -34.381 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.550 13.528 -36.671 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.790 14.829 -35.522 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.406 15.521 -35.863 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.245 14.270 -37.080 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.714 17.357 -36.257 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.215 17.789 -37.895 1.00 0.00 H new ATOM 445 N ARG A 27 0.743 12.567 -35.337 1.00 0.00 N ATOM 446 CA ARG A 27 1.787 11.649 -35.754 1.00 0.00 C ATOM 447 C ARG A 27 1.901 10.510 -34.749 1.00 0.00 C ATOM 448 O ARG A 27 1.940 9.336 -35.125 1.00 0.00 O ATOM 449 CB ARG A 27 3.121 12.392 -35.893 1.00 0.00 C ATOM 450 CG ARG A 27 4.343 11.488 -35.868 1.00 0.00 C ATOM 451 CD ARG A 27 4.339 10.476 -37.008 1.00 0.00 C ATOM 452 NE ARG A 27 5.442 9.520 -36.887 1.00 0.00 N ATOM 453 CZ ARG A 27 5.391 8.258 -37.315 1.00 0.00 C ATOM 454 NH1 ARG A 27 4.299 7.795 -37.914 1.00 0.00 N ATOM 455 NH2 ARG A 27 6.436 7.458 -37.141 1.00 0.00 N ATOM 0 H ARG A 27 1.080 13.485 -35.048 1.00 0.00 H new ATOM 0 HA ARG A 27 1.531 11.229 -36.727 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.116 12.952 -36.828 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.205 13.120 -35.086 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.244 12.098 -35.930 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.381 10.959 -34.916 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.391 9.939 -37.014 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.415 11.000 -37.961 1.00 0.00 H new ATOM 0 HE ARG A 27 6.305 9.840 -36.447 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.493 8.406 -38.049 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.266 6.829 -38.239 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.276 7.809 -36.681 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.399 6.492 -37.468 1.00 0.00 H new ATOM 469 N ILE A 28 1.930 10.863 -33.473 1.00 0.00 N ATOM 470 CA ILE A 28 2.001 9.867 -32.418 1.00 0.00 C ATOM 471 C ILE A 28 0.732 9.031 -32.396 1.00 0.00 C ATOM 472 O ILE A 28 0.784 7.839 -32.143 1.00 0.00 O ATOM 473 CB ILE A 28 2.221 10.503 -31.029 1.00 0.00 C ATOM 474 CG1 ILE A 28 3.508 11.332 -31.018 1.00 0.00 C ATOM 475 CG2 ILE A 28 2.268 9.427 -29.949 1.00 0.00 C ATOM 476 CD1 ILE A 28 4.740 10.548 -31.414 1.00 0.00 C ATOM 0 H ILE A 28 1.906 11.828 -33.145 1.00 0.00 H new ATOM 0 HA ILE A 28 2.860 9.232 -32.636 1.00 0.00 H new ATOM 0 HB ILE A 28 1.382 11.166 -30.816 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.392 12.176 -31.697 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.656 11.744 -30.020 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.424 9.894 -28.977 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.326 8.878 -29.941 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.087 8.739 -30.156 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.612 11.201 -31.383 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.882 9.719 -30.720 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.614 10.158 -32.424 1.00 0.00 H new ATOM 488 N LEU A 29 -0.402 9.664 -32.670 1.00 0.00 N ATOM 489 CA LEU A 29 -1.674 8.970 -32.742 1.00 0.00 C ATOM 490 C LEU A 29 -1.582 7.784 -33.694 1.00 0.00 C ATOM 491 O LEU A 29 -1.847 6.648 -33.308 1.00 0.00 O ATOM 492 CB LEU A 29 -2.753 9.940 -33.219 1.00 0.00 C ATOM 493 CG LEU A 29 -4.185 9.529 -32.905 1.00 0.00 C ATOM 494 CD1 LEU A 29 -4.400 9.491 -31.403 1.00 0.00 C ATOM 495 CD2 LEU A 29 -5.154 10.494 -33.558 1.00 0.00 C ATOM 0 H LEU A 29 -0.462 10.667 -32.847 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.932 8.596 -31.751 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.566 10.915 -32.769 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.656 10.063 -34.298 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.366 8.531 -33.304 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.427 9.196 -31.190 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.715 8.771 -30.956 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.212 10.479 -30.983 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.176 10.194 -33.329 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.978 11.500 -33.178 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.006 10.483 -34.638 1.00 0.00 H new ATOM 507 N ILE A 30 -1.171 8.053 -34.927 1.00 0.00 N ATOM 508 CA ILE A 30 -1.036 7.012 -35.939 1.00 0.00 C ATOM 509 C ILE A 30 -0.002 5.970 -35.515 1.00 0.00 C ATOM 510 O ILE A 30 -0.231 4.765 -35.641 1.00 0.00 O ATOM 511 CB ILE A 30 -0.629 7.615 -37.305 1.00 0.00 C ATOM 512 CG1 ILE A 30 -1.681 8.620 -37.785 1.00 0.00 C ATOM 513 CG2 ILE A 30 -0.427 6.518 -38.343 1.00 0.00 C ATOM 514 CD1 ILE A 30 -3.062 8.024 -37.974 1.00 0.00 C ATOM 0 H ILE A 30 -0.924 8.988 -35.252 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.008 6.528 -36.041 1.00 0.00 H new ATOM 0 HB ILE A 30 0.317 8.140 -37.175 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.744 9.436 -37.065 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.351 9.053 -38.729 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.142 6.966 -39.295 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.360 5.842 -38.009 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.355 5.960 -38.468 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.749 8.799 -38.315 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.016 7.227 -38.717 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.415 7.617 -37.027 1.00 0.00 H new ATOM 526 N PHE A 31 1.124 6.447 -34.993 1.00 0.00 N ATOM 527 CA PHE A 31 2.222 5.574 -34.585 1.00 0.00 C ATOM 528 C PHE A 31 1.829 4.695 -33.398 1.00 0.00 C ATOM 529 O PHE A 31 2.109 3.500 -33.382 1.00 0.00 O ATOM 530 CB PHE A 31 3.455 6.413 -34.231 1.00 0.00 C ATOM 531 CG PHE A 31 4.649 5.597 -33.815 1.00 0.00 C ATOM 532 CD1 PHE A 31 4.935 5.394 -32.473 1.00 0.00 C ATOM 533 CD2 PHE A 31 5.484 5.034 -34.766 1.00 0.00 C ATOM 534 CE1 PHE A 31 6.030 4.644 -32.089 1.00 0.00 C ATOM 535 CE2 PHE A 31 6.581 4.284 -34.387 1.00 0.00 C ATOM 536 CZ PHE A 31 6.854 4.088 -33.047 1.00 0.00 C ATOM 0 H PHE A 31 1.301 7.440 -34.841 1.00 0.00 H new ATOM 0 HA PHE A 31 2.457 4.918 -35.423 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.727 7.023 -35.092 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.196 7.098 -33.424 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.294 5.827 -31.719 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.275 5.183 -35.815 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.241 4.493 -31.041 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.225 3.851 -35.138 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.710 3.501 -32.749 1.00 0.00 H new ATOM 546 N LEU A 32 1.179 5.291 -32.411 1.00 0.00 N ATOM 547 CA LEU A 32 0.807 4.585 -31.194 1.00 0.00 C ATOM 548 C LEU A 32 -0.297 3.569 -31.492 1.00 0.00 C ATOM 549 O LEU A 32 -0.320 2.484 -30.910 1.00 0.00 O ATOM 550 CB LEU A 32 0.395 5.601 -30.107 1.00 0.00 C ATOM 551 CG LEU A 32 0.193 5.058 -28.680 1.00 0.00 C ATOM 552 CD1 LEU A 32 -1.166 4.399 -28.522 1.00 0.00 C ATOM 553 CD2 LEU A 32 1.302 4.082 -28.311 1.00 0.00 C ATOM 0 H LEU A 32 0.896 6.271 -32.429 1.00 0.00 H new ATOM 0 HA LEU A 32 1.662 4.026 -30.813 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.155 6.381 -30.068 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.534 6.076 -30.423 1.00 0.00 H new ATOM 0 HG LEU A 32 0.235 5.907 -27.998 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.274 4.027 -27.503 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.950 5.128 -28.727 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.251 3.568 -29.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.139 3.711 -27.299 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.297 3.245 -29.009 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.265 4.590 -28.360 1.00 0.00 H new ATOM 565 N LEU A 33 -1.191 3.913 -32.417 1.00 0.00 N ATOM 566 CA LEU A 33 -2.215 2.976 -32.877 1.00 0.00 C ATOM 567 C LEU A 33 -1.577 1.683 -33.357 1.00 0.00 C ATOM 568 O LEU A 33 -1.782 0.617 -32.775 1.00 0.00 O ATOM 569 CB LEU A 33 -3.032 3.578 -34.021 1.00 0.00 C ATOM 570 CG LEU A 33 -4.010 4.679 -33.628 1.00 0.00 C ATOM 571 CD1 LEU A 33 -4.687 5.240 -34.864 1.00 0.00 C ATOM 572 CD2 LEU A 33 -5.038 4.138 -32.652 1.00 0.00 C ATOM 0 H LEU A 33 -1.228 4.830 -32.862 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.874 2.769 -32.034 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.342 3.979 -34.764 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.591 2.777 -34.504 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.462 5.485 -33.140 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.384 6.026 -34.572 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.934 5.653 -35.535 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.230 4.444 -35.374 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.732 4.932 -32.377 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.588 3.321 -33.119 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.533 3.772 -31.758 1.00 0.00 H new ATOM 584 N GLU A 34 -0.795 1.797 -34.420 1.00 0.00 N ATOM 585 CA GLU A 34 -0.108 0.649 -34.998 1.00 0.00 C ATOM 586 C GLU A 34 0.842 0.000 -33.994 1.00 0.00 C ATOM 587 O GLU A 34 1.083 -1.203 -34.052 1.00 0.00 O ATOM 588 CB GLU A 34 0.665 1.056 -36.252 1.00 0.00 C ATOM 589 CG GLU A 34 1.646 2.194 -36.039 1.00 0.00 C ATOM 590 CD GLU A 34 2.590 2.374 -37.205 1.00 0.00 C ATOM 591 OE1 GLU A 34 3.606 1.652 -37.264 1.00 0.00 O ATOM 592 OE2 GLU A 34 2.329 3.236 -38.067 1.00 0.00 O ATOM 0 H GLU A 34 -0.619 2.678 -34.903 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.870 -0.081 -35.269 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.208 0.189 -36.627 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.047 1.345 -37.025 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.093 3.120 -35.878 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.224 2.006 -35.134 1.00 0.00 H new ATOM 599 N PHE A 35 1.386 0.800 -33.086 1.00 0.00 N ATOM 600 CA PHE A 35 2.262 0.289 -32.038 1.00 0.00 C ATOM 601 C PHE A 35 1.523 -0.728 -31.173 1.00 0.00 C ATOM 602 O PHE A 35 2.053 -1.793 -30.876 1.00 0.00 O ATOM 603 CB PHE A 35 2.790 1.435 -31.168 1.00 0.00 C ATOM 604 CG PHE A 35 3.832 1.013 -30.169 1.00 0.00 C ATOM 605 CD1 PHE A 35 3.483 0.730 -28.857 1.00 0.00 C ATOM 606 CD2 PHE A 35 5.161 0.900 -30.544 1.00 0.00 C ATOM 607 CE1 PHE A 35 4.441 0.341 -27.939 1.00 0.00 C ATOM 608 CE2 PHE A 35 6.123 0.512 -29.631 1.00 0.00 C ATOM 609 CZ PHE A 35 5.763 0.232 -28.327 1.00 0.00 C ATOM 0 H PHE A 35 1.236 1.808 -33.054 1.00 0.00 H new ATOM 0 HA PHE A 35 3.109 -0.205 -32.514 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.212 2.204 -31.815 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.954 1.889 -30.636 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.451 0.814 -28.549 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.449 1.118 -31.562 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.157 0.123 -26.920 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.155 0.428 -29.937 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.513 -0.072 -27.612 1.00 0.00 H new ATOM 619 N LEU A 36 0.290 -0.405 -30.793 1.00 0.00 N ATOM 620 CA LEU A 36 -0.519 -1.306 -29.973 1.00 0.00 C ATOM 621 C LEU A 36 -0.880 -2.567 -30.752 1.00 0.00 C ATOM 622 O LEU A 36 -1.095 -3.630 -30.173 1.00 0.00 O ATOM 623 CB LEU A 36 -1.795 -0.605 -29.501 1.00 0.00 C ATOM 624 CG LEU A 36 -1.578 0.671 -28.683 1.00 0.00 C ATOM 625 CD1 LEU A 36 -2.914 1.273 -28.277 1.00 0.00 C ATOM 626 CD2 LEU A 36 -0.723 0.392 -27.454 1.00 0.00 C ATOM 0 H LEU A 36 -0.171 0.471 -31.038 1.00 0.00 H new ATOM 0 HA LEU A 36 0.072 -1.589 -29.102 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.398 -0.358 -30.375 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.375 -1.307 -28.901 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.047 1.389 -29.308 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.743 2.179 -27.696 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.489 1.517 -29.170 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.468 0.554 -27.673 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.584 1.315 -26.890 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.220 -0.346 -26.825 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.248 0.008 -27.766 1.00 0.00 H new ATOM 638 N LEU A 37 -0.944 -2.437 -32.070 1.00 0.00 N ATOM 639 CA LEU A 37 -1.222 -3.568 -32.949 1.00 0.00 C ATOM 640 C LEU A 37 0.022 -4.438 -33.103 1.00 0.00 C ATOM 641 O LEU A 37 -0.060 -5.668 -33.128 1.00 0.00 O ATOM 642 CB LEU A 37 -1.685 -3.072 -34.325 1.00 0.00 C ATOM 643 CG LEU A 37 -3.181 -2.753 -34.462 1.00 0.00 C ATOM 644 CD1 LEU A 37 -3.655 -1.798 -33.379 1.00 0.00 C ATOM 645 CD2 LEU A 37 -3.465 -2.168 -35.834 1.00 0.00 C ATOM 0 H LEU A 37 -0.806 -1.552 -32.559 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.017 -4.165 -32.502 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.119 -2.174 -34.574 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.426 -3.828 -35.067 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.731 -3.686 -34.344 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.718 -1.597 -33.511 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.489 -2.247 -32.400 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.098 -0.864 -33.449 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.528 -1.945 -35.921 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.890 -1.251 -35.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.181 -2.887 -36.602 1.00 0.00 H new ATOM 657 N ASP A 38 1.170 -3.782 -33.196 1.00 0.00 N ATOM 658 CA ASP A 38 2.452 -4.465 -33.342 1.00 0.00 C ATOM 659 C ASP A 38 2.838 -5.150 -32.041 1.00 0.00 C ATOM 660 O ASP A 38 3.246 -6.310 -32.026 1.00 0.00 O ATOM 661 CB ASP A 38 3.530 -3.460 -33.741 1.00 0.00 C ATOM 662 CG ASP A 38 4.842 -4.123 -34.099 1.00 0.00 C ATOM 663 OD1 ASP A 38 4.962 -4.642 -35.230 1.00 0.00 O ATOM 664 OD2 ASP A 38 5.765 -4.111 -33.262 1.00 0.00 O ATOM 0 H ASP A 38 1.241 -2.765 -33.173 1.00 0.00 H new ATOM 0 HA ASP A 38 2.360 -5.222 -34.121 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.179 -2.875 -34.591 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.692 -2.762 -32.920 1.00 0.00 H new ATOM 669 N PHE A 39 2.699 -4.410 -30.954 1.00 0.00 N ATOM 670 CA PHE A 39 2.946 -4.931 -29.614 1.00 0.00 C ATOM 671 C PHE A 39 1.888 -5.977 -29.259 1.00 0.00 C ATOM 672 O PHE A 39 2.105 -6.854 -28.419 1.00 0.00 O ATOM 673 CB PHE A 39 2.918 -3.771 -28.607 1.00 0.00 C ATOM 674 CG PHE A 39 3.333 -4.133 -27.208 1.00 0.00 C ATOM 675 CD1 PHE A 39 4.676 -4.224 -26.874 1.00 0.00 C ATOM 676 CD2 PHE A 39 2.385 -4.361 -26.224 1.00 0.00 C ATOM 677 CE1 PHE A 39 5.062 -4.538 -25.585 1.00 0.00 C ATOM 678 CE2 PHE A 39 2.767 -4.677 -24.935 1.00 0.00 C ATOM 679 CZ PHE A 39 4.107 -4.765 -24.615 1.00 0.00 C ATOM 0 H PHE A 39 2.412 -3.431 -30.972 1.00 0.00 H new ATOM 0 HA PHE A 39 3.925 -5.408 -29.579 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.572 -2.979 -28.970 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.908 -3.361 -28.576 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.428 -4.048 -27.629 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.335 -4.291 -26.468 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.111 -4.606 -25.337 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.018 -4.855 -24.178 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.407 -5.011 -23.607 1.00 0.00 H new ATOM 689 N CYS A 40 0.746 -5.865 -29.940 1.00 0.00 N ATOM 690 CA CYS A 40 -0.394 -6.753 -29.748 1.00 0.00 C ATOM 691 C CYS A 40 -0.952 -6.596 -28.338 1.00 0.00 C ATOM 692 O CYS A 40 -1.080 -7.564 -27.588 1.00 0.00 O ATOM 693 CB CYS A 40 -0.012 -8.213 -30.029 1.00 0.00 C ATOM 694 SG CYS A 40 -1.422 -9.339 -30.120 1.00 0.00 S ATOM 0 H CYS A 40 0.589 -5.147 -30.647 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.170 -6.474 -30.460 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.538 -8.259 -30.969 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.665 -8.557 -29.247 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.000 -10.544 -30.362 1.00 0.00 H new ATOM 700 N THR A 41 -1.272 -5.357 -27.988 1.00 0.00 N ATOM 701 CA THR A 41 -1.829 -5.044 -26.683 1.00 0.00 C ATOM 702 C THR A 41 -3.206 -5.686 -26.517 1.00 0.00 C ATOM 703 O THR A 41 -3.575 -6.124 -25.427 1.00 0.00 O ATOM 704 CB THR A 41 -1.939 -3.518 -26.496 1.00 0.00 C ATOM 705 OG1 THR A 41 -0.699 -2.900 -26.869 1.00 0.00 O ATOM 706 CG2 THR A 41 -2.272 -3.165 -25.053 1.00 0.00 C ATOM 0 H THR A 41 -1.153 -4.548 -28.597 1.00 0.00 H new ATOM 0 HA THR A 41 -1.159 -5.447 -25.923 1.00 0.00 H new ATOM 0 HB THR A 41 -2.744 -3.150 -27.132 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.411 -2.290 -26.158 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.343 -2.082 -24.950 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.224 -3.619 -24.778 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.487 -3.541 -24.396 1.00 0.00 H new ATOM 714 N GLY A 42 -3.956 -5.752 -27.612 1.00 0.00 N ATOM 715 CA GLY A 42 -5.265 -6.367 -27.575 1.00 0.00 C ATOM 716 C GLY A 42 -5.868 -6.525 -28.954 1.00 0.00 C ATOM 717 O GLY A 42 -5.545 -7.471 -29.673 1.00 0.00 O ATOM 0 H GLY A 42 -3.678 -5.390 -28.524 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.190 -7.345 -27.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.930 -5.763 -26.958 1.00 0.00 H new ATOM 721 N GLU A 43 -6.735 -5.597 -29.329 1.00 0.00 N ATOM 722 CA GLU A 43 -7.421 -5.669 -30.603 1.00 0.00 C ATOM 723 C GLU A 43 -6.499 -5.266 -31.750 1.00 0.00 C ATOM 724 O GLU A 43 -5.826 -4.232 -31.701 1.00 0.00 O ATOM 725 CB GLU A 43 -8.667 -4.783 -30.586 1.00 0.00 C ATOM 726 CG GLU A 43 -8.369 -3.309 -30.392 1.00 0.00 C ATOM 727 CD GLU A 43 -9.612 -2.449 -30.422 1.00 0.00 C ATOM 728 OE1 GLU A 43 -10.223 -2.248 -29.354 1.00 0.00 O ATOM 729 OE2 GLU A 43 -9.986 -1.969 -31.511 1.00 0.00 O ATOM 0 H GLU A 43 -6.979 -4.783 -28.764 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.725 -6.703 -30.764 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.207 -4.914 -31.524 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.329 -5.118 -29.787 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.859 -3.169 -29.439 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.684 -2.976 -31.172 1.00 0.00 H new ATOM 736 N ASP A 44 -6.455 -6.110 -32.768 1.00 0.00 N ATOM 737 CA ASP A 44 -5.709 -5.807 -33.979 1.00 0.00 C ATOM 738 C ASP A 44 -6.653 -5.280 -35.043 1.00 0.00 C ATOM 739 O ASP A 44 -6.528 -4.144 -35.505 1.00 0.00 O ATOM 740 CB ASP A 44 -4.990 -7.056 -34.495 1.00 0.00 C ATOM 741 CG ASP A 44 -4.214 -6.801 -35.773 1.00 0.00 C ATOM 742 OD1 ASP A 44 -4.812 -6.887 -36.871 1.00 0.00 O ATOM 743 OD2 ASP A 44 -3.002 -6.528 -35.690 1.00 0.00 O ATOM 0 H ASP A 44 -6.929 -7.013 -32.780 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.962 -5.047 -33.748 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.307 -7.420 -33.727 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.722 -7.845 -34.671 1.00 0.00 H new ATOM 748 N SER A 45 -7.597 -6.128 -35.418 1.00 0.00 N ATOM 749 CA SER A 45 -8.626 -5.786 -36.389 1.00 0.00 C ATOM 750 C SER A 45 -9.626 -6.932 -36.509 1.00 0.00 C ATOM 751 O SER A 45 -9.740 -7.568 -37.554 1.00 0.00 O ATOM 752 CB SER A 45 -8.001 -5.467 -37.754 1.00 0.00 C ATOM 753 OG SER A 45 -7.110 -6.493 -38.169 1.00 0.00 O ATOM 0 H SER A 45 -7.672 -7.079 -35.056 1.00 0.00 H new ATOM 0 HA SER A 45 -9.151 -4.895 -36.045 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.789 -5.345 -38.497 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.466 -4.519 -37.698 1.00 0.00 H new ATOM 0 HG SER A 45 -6.257 -6.397 -37.696 1.00 0.00 H new ATOM 759 N VAL A 46 -10.350 -7.200 -35.430 1.00 0.00 N ATOM 760 CA VAL A 46 -11.299 -8.309 -35.413 1.00 0.00 C ATOM 761 C VAL A 46 -12.525 -7.981 -36.254 1.00 0.00 C ATOM 762 O VAL A 46 -13.235 -8.876 -36.717 1.00 0.00 O ATOM 763 CB VAL A 46 -11.745 -8.670 -33.980 1.00 0.00 C ATOM 764 CG1 VAL A 46 -10.551 -9.064 -33.131 1.00 0.00 C ATOM 765 CG2 VAL A 46 -12.498 -7.520 -33.334 1.00 0.00 C ATOM 0 H VAL A 46 -10.300 -6.670 -34.560 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.783 -9.171 -35.836 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.421 -9.522 -34.046 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.887 -9.315 -32.125 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.058 -9.929 -33.575 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.849 -8.232 -33.082 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.800 -7.803 -32.326 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.852 -6.643 -33.287 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.383 -7.287 -33.925 1.00 0.00 H new ATOM 775 N ASP A 47 -12.764 -6.694 -36.447 1.00 0.00 N ATOM 776 CA ASP A 47 -13.888 -6.237 -37.243 1.00 0.00 C ATOM 777 C ASP A 47 -13.521 -4.934 -37.935 1.00 0.00 C ATOM 778 O ASP A 47 -14.092 -3.879 -37.665 1.00 0.00 O ATOM 779 CB ASP A 47 -15.116 -6.034 -36.362 1.00 0.00 C ATOM 780 CG ASP A 47 -16.422 -6.135 -37.128 1.00 0.00 C ATOM 781 OD1 ASP A 47 -16.573 -5.468 -38.170 1.00 0.00 O ATOM 782 OD2 ASP A 47 -17.318 -6.878 -36.674 1.00 0.00 O ATOM 0 H ASP A 47 -12.190 -5.945 -36.060 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.123 -6.992 -37.993 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.111 -6.778 -35.565 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.056 -5.056 -35.885 1.00 0.00 H new ATOM 787 N GLY A 48 -12.541 -5.018 -38.811 1.00 0.00 N ATOM 788 CA GLY A 48 -12.112 -3.862 -39.572 1.00 0.00 C ATOM 789 C GLY A 48 -12.727 -3.857 -40.952 1.00 0.00 C ATOM 790 O GLY A 48 -12.091 -3.469 -41.932 1.00 0.00 O ATOM 0 H GLY A 48 -12.026 -5.875 -39.014 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.392 -2.951 -39.043 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.025 -3.861 -39.655 1.00 0.00 H new ATOM 794 N LYS A 49 -13.977 -4.289 -41.014 1.00 0.00 N ATOM 795 CA LYS A 49 -14.687 -4.445 -42.275 1.00 0.00 C ATOM 796 C LYS A 49 -15.144 -3.094 -42.810 1.00 0.00 C ATOM 797 O LYS A 49 -15.109 -2.845 -44.018 1.00 0.00 O ATOM 798 CB LYS A 49 -15.883 -5.372 -42.071 1.00 0.00 C ATOM 799 CG LYS A 49 -15.497 -6.694 -41.432 1.00 0.00 C ATOM 800 CD LYS A 49 -16.713 -7.538 -41.107 1.00 0.00 C ATOM 801 CE LYS A 49 -16.323 -8.812 -40.377 1.00 0.00 C ATOM 802 NZ LYS A 49 -15.437 -9.679 -41.198 1.00 0.00 N ATOM 0 H LYS A 49 -14.528 -4.541 -40.193 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.012 -4.884 -43.010 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.622 -4.872 -41.445 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.358 -5.563 -43.033 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.841 -7.246 -42.106 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.931 -6.505 -40.520 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.404 -6.962 -40.492 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.239 -7.791 -42.027 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.817 -8.555 -39.446 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.223 -9.365 -40.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.320 -10.599 -40.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.863 -9.821 -42.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.508 -9.224 -41.305 1.00 0.00 H new ATOM 816 N LYS A 50 -15.577 -2.229 -41.903 1.00 0.00 N ATOM 817 CA LYS A 50 -15.984 -0.878 -42.257 1.00 0.00 C ATOM 818 C LYS A 50 -15.962 0.022 -41.023 1.00 0.00 C ATOM 819 O LYS A 50 -15.013 0.777 -40.813 1.00 0.00 O ATOM 820 CB LYS A 50 -17.380 -0.880 -42.889 1.00 0.00 C ATOM 821 CG LYS A 50 -17.820 0.484 -43.392 1.00 0.00 C ATOM 822 CD LYS A 50 -19.187 0.427 -44.049 1.00 0.00 C ATOM 823 CE LYS A 50 -19.588 1.779 -44.615 1.00 0.00 C ATOM 824 NZ LYS A 50 -18.636 2.252 -45.657 1.00 0.00 N ATOM 0 H LYS A 50 -15.655 -2.443 -40.909 1.00 0.00 H new ATOM 0 HA LYS A 50 -15.277 -0.487 -42.989 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.393 -1.586 -43.719 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.102 -1.238 -42.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.845 1.188 -42.560 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.089 0.862 -44.106 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.178 -0.315 -44.847 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.929 0.102 -43.320 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.588 1.711 -45.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.635 2.510 -43.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.079 3.011 -46.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.774 2.615 -45.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.388 1.461 -46.286 1.00 0.00 H new ATOM 838 N ARG A 51 -17.001 -0.075 -40.205 1.00 0.00 N ATOM 839 CA ARG A 51 -17.073 0.689 -38.971 1.00 0.00 C ATOM 840 C ARG A 51 -17.192 -0.237 -37.771 1.00 0.00 C ATOM 841 O ARG A 51 -18.236 -0.854 -37.549 1.00 0.00 O ATOM 842 CB ARG A 51 -18.264 1.653 -38.983 1.00 0.00 C ATOM 843 CG ARG A 51 -18.174 2.746 -40.033 1.00 0.00 C ATOM 844 CD ARG A 51 -16.986 3.660 -39.787 1.00 0.00 C ATOM 845 NE ARG A 51 -16.900 4.719 -40.786 1.00 0.00 N ATOM 846 CZ ARG A 51 -15.928 5.627 -40.827 1.00 0.00 C ATOM 847 NH1 ARG A 51 -14.979 5.627 -39.898 1.00 0.00 N ATOM 848 NH2 ARG A 51 -15.913 6.542 -41.787 1.00 0.00 N ATOM 0 H ARG A 51 -17.806 -0.677 -40.376 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.152 1.267 -38.894 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -19.177 1.081 -39.148 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -18.351 2.116 -38.000 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -18.089 2.295 -41.022 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -19.093 3.333 -40.028 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.068 4.103 -38.794 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -16.067 3.073 -39.800 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.630 4.767 -41.497 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.995 4.931 -39.153 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.234 6.323 -39.930 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.647 6.550 -42.495 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.167 7.237 -41.817 1.00 0.00 H new ATOM 862 N GLN A 52 -16.117 -0.347 -37.007 1.00 0.00 N ATOM 863 CA GLN A 52 -16.142 -1.094 -35.766 1.00 0.00 C ATOM 864 C GLN A 52 -16.742 -0.221 -34.670 1.00 0.00 C ATOM 865 O GLN A 52 -17.342 -0.711 -33.712 1.00 0.00 O ATOM 866 CB GLN A 52 -14.726 -1.544 -35.398 1.00 0.00 C ATOM 867 CG GLN A 52 -14.616 -2.237 -34.050 1.00 0.00 C ATOM 868 CD GLN A 52 -15.397 -3.541 -33.965 1.00 0.00 C ATOM 869 OE1 GLN A 52 -16.443 -3.709 -34.591 1.00 0.00 O ATOM 870 NE2 GLN A 52 -14.882 -4.479 -33.188 1.00 0.00 N ATOM 0 H GLN A 52 -15.215 0.074 -37.228 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.758 -1.986 -35.881 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -14.361 -2.220 -36.171 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -14.070 -0.674 -35.400 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.566 -2.439 -33.840 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.972 -1.560 -33.273 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.013 -4.303 -32.684 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -15.354 -5.378 -33.092 1.00 0.00 H new ATOM 879 N ARG A 53 -16.607 1.085 -34.848 1.00 0.00 N ATOM 880 CA ARG A 53 -17.147 2.048 -33.904 1.00 0.00 C ATOM 881 C ARG A 53 -18.545 2.468 -34.339 1.00 0.00 C ATOM 882 O ARG A 53 -18.843 3.654 -34.487 1.00 0.00 O ATOM 883 CB ARG A 53 -16.216 3.260 -33.792 1.00 0.00 C ATOM 884 CG ARG A 53 -14.815 2.898 -33.320 1.00 0.00 C ATOM 885 CD ARG A 53 -14.843 2.293 -31.925 1.00 0.00 C ATOM 886 NE ARG A 53 -13.543 1.763 -31.517 1.00 0.00 N ATOM 887 CZ ARG A 53 -13.313 1.211 -30.324 1.00 0.00 C ATOM 888 NH1 ARG A 53 -14.285 1.148 -29.422 1.00 0.00 N ATOM 889 NH2 ARG A 53 -12.112 0.725 -30.034 1.00 0.00 N ATOM 0 H ARG A 53 -16.124 1.503 -35.644 1.00 0.00 H new ATOM 0 HA ARG A 53 -17.217 1.587 -32.919 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.150 3.750 -34.763 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.651 3.981 -33.100 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.365 2.191 -34.017 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.187 3.789 -33.320 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.163 3.051 -31.210 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.583 1.494 -31.894 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.770 1.818 -32.180 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.209 1.522 -29.641 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.108 0.726 -28.510 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.362 0.773 -30.724 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.939 0.304 -29.121 1.00 0.00 H new ATOM 903 N HIS A 54 -19.386 1.467 -34.570 1.00 0.00 N ATOM 904 CA HIS A 54 -20.778 1.676 -34.955 1.00 0.00 C ATOM 905 C HIS A 54 -21.530 2.454 -33.877 1.00 0.00 C ATOM 906 O HIS A 54 -21.365 2.186 -32.685 1.00 0.00 O ATOM 907 CB HIS A 54 -21.452 0.316 -35.203 1.00 0.00 C ATOM 908 CG HIS A 54 -22.946 0.372 -35.355 1.00 0.00 C ATOM 909 ND1 HIS A 54 -23.816 -0.059 -34.376 1.00 0.00 N ATOM 910 CD2 HIS A 54 -23.720 0.809 -36.376 1.00 0.00 C ATOM 911 CE1 HIS A 54 -25.057 0.110 -34.790 1.00 0.00 C ATOM 912 NE2 HIS A 54 -25.027 0.634 -35.998 1.00 0.00 N ATOM 0 H HIS A 54 -19.122 0.485 -34.496 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.804 2.264 -35.872 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.026 -0.126 -36.103 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -21.210 -0.350 -34.375 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.373 1.219 -37.313 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -25.948 -0.139 -34.232 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -25.844 0.871 -36.561 1.00 0.00 H new ATOM 921 N SER A 55 -22.346 3.413 -34.316 1.00 0.00 N ATOM 922 CA SER A 55 -23.164 4.223 -33.419 1.00 0.00 C ATOM 923 C SER A 55 -22.284 5.142 -32.574 1.00 0.00 C ATOM 924 O SER A 55 -22.082 4.915 -31.379 1.00 0.00 O ATOM 925 CB SER A 55 -24.047 3.329 -32.531 1.00 0.00 C ATOM 926 OG SER A 55 -24.914 4.099 -31.714 1.00 0.00 O ATOM 0 H SER A 55 -22.457 3.648 -35.302 1.00 0.00 H new ATOM 0 HA SER A 55 -23.822 4.848 -34.022 1.00 0.00 H new ATOM 0 HB2 SER A 55 -24.636 2.660 -33.159 1.00 0.00 H new ATOM 0 HB3 SER A 55 -23.415 2.702 -31.902 1.00 0.00 H new ATOM 0 HG SER A 55 -25.462 3.501 -31.164 1.00 0.00 H new ATOM 932 N GLY A 56 -21.753 6.176 -33.209 1.00 0.00 N ATOM 933 CA GLY A 56 -20.926 7.131 -32.508 1.00 0.00 C ATOM 934 C GLY A 56 -21.544 8.512 -32.497 1.00 0.00 C ATOM 935 O GLY A 56 -22.327 8.836 -31.604 1.00 0.00 O ATOM 0 H GLY A 56 -21.882 6.370 -34.202 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -20.772 6.794 -31.483 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.944 7.176 -32.980 1.00 0.00 H new ATOM 939 N LEU A 57 -21.205 9.308 -33.509 1.00 0.00 N ATOM 940 CA LEU A 57 -21.698 10.678 -33.637 1.00 0.00 C ATOM 941 C LEU A 57 -21.351 11.476 -32.379 1.00 0.00 C ATOM 942 O LEU A 57 -22.214 11.770 -31.550 1.00 0.00 O ATOM 943 CB LEU A 57 -23.216 10.680 -33.889 1.00 0.00 C ATOM 944 CG LEU A 57 -23.759 11.815 -34.773 1.00 0.00 C ATOM 945 CD1 LEU A 57 -23.483 13.179 -34.160 1.00 0.00 C ATOM 946 CD2 LEU A 57 -23.169 11.732 -36.172 1.00 0.00 C ATOM 0 H LEU A 57 -20.581 9.022 -34.263 1.00 0.00 H new ATOM 0 HA LEU A 57 -21.215 11.152 -34.491 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -23.488 9.729 -34.348 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -23.723 10.725 -32.925 1.00 0.00 H new ATOM 0 HG LEU A 57 -24.840 11.693 -34.841 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -23.880 13.958 -34.811 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -23.963 13.243 -33.183 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -22.408 13.316 -34.045 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -23.565 12.543 -36.783 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -22.084 11.817 -36.115 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -23.434 10.776 -36.623 1.00 0.00 H new ATOM 958 N THR A 58 -20.079 11.804 -32.234 1.00 0.00 N ATOM 959 CA THR A 58 -19.611 12.525 -31.063 1.00 0.00 C ATOM 960 C THR A 58 -18.456 13.459 -31.431 1.00 0.00 C ATOM 961 O THR A 58 -17.669 13.870 -30.576 1.00 0.00 O ATOM 962 CB THR A 58 -19.178 11.541 -29.948 1.00 0.00 C ATOM 963 OG1 THR A 58 -18.754 12.255 -28.778 1.00 0.00 O ATOM 964 CG2 THR A 58 -18.056 10.631 -30.427 1.00 0.00 C ATOM 0 H THR A 58 -19.351 11.582 -32.913 1.00 0.00 H new ATOM 0 HA THR A 58 -20.436 13.129 -30.685 1.00 0.00 H new ATOM 0 HB THR A 58 -20.043 10.927 -29.696 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.239 13.045 -29.045 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.772 9.951 -29.624 1.00 0.00 H new ATOM 0 HG22 THR A 58 -18.397 10.055 -31.287 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.195 11.235 -30.713 1.00 0.00 H new ATOM 972 N GLU A 59 -18.370 13.804 -32.708 1.00 0.00 N ATOM 973 CA GLU A 59 -17.315 14.684 -33.190 1.00 0.00 C ATOM 974 C GLU A 59 -17.739 16.140 -33.044 1.00 0.00 C ATOM 975 O GLU A 59 -18.915 16.435 -32.825 1.00 0.00 O ATOM 976 CB GLU A 59 -16.985 14.399 -34.660 1.00 0.00 C ATOM 977 CG GLU A 59 -16.685 12.941 -34.968 1.00 0.00 C ATOM 978 CD GLU A 59 -17.939 12.111 -35.146 1.00 0.00 C ATOM 979 OE1 GLU A 59 -18.598 12.243 -36.199 1.00 0.00 O ATOM 980 OE2 GLU A 59 -18.274 11.322 -34.233 1.00 0.00 O ATOM 0 H GLU A 59 -19.018 13.488 -33.429 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.425 14.497 -32.589 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.824 14.722 -35.277 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.125 15.003 -34.950 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.083 12.882 -35.875 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.087 12.519 -34.161 1.00 0.00 H new ATOM 987 N GLN A 60 -16.779 17.041 -33.192 1.00 0.00 N ATOM 988 CA GLN A 60 -17.031 18.470 -33.076 1.00 0.00 C ATOM 989 C GLN A 60 -17.443 19.032 -34.425 1.00 0.00 C ATOM 990 O GLN A 60 -16.925 20.051 -34.886 1.00 0.00 O ATOM 991 CB GLN A 60 -15.790 19.204 -32.557 1.00 0.00 C ATOM 992 CG GLN A 60 -15.290 18.692 -31.215 1.00 0.00 C ATOM 993 CD GLN A 60 -14.246 17.595 -31.340 1.00 0.00 C ATOM 994 OE1 GLN A 60 -14.224 16.835 -32.310 1.00 0.00 O ATOM 995 NE2 GLN A 60 -13.373 17.503 -30.351 1.00 0.00 N ATOM 0 H GLN A 60 -15.808 16.804 -33.395 1.00 0.00 H new ATOM 0 HA GLN A 60 -17.840 18.621 -32.361 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.990 19.110 -33.292 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -16.018 20.266 -32.468 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.867 19.524 -30.652 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -16.136 18.315 -30.640 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.423 18.151 -29.565 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.649 16.784 -30.375 1.00 0.00 H new ATOM 1004 N THR A 61 -18.376 18.345 -35.053 1.00 0.00 N ATOM 1005 CA THR A 61 -18.872 18.727 -36.363 1.00 0.00 C ATOM 1006 C THR A 61 -19.835 19.911 -36.257 1.00 0.00 C ATOM 1007 O THR A 61 -21.057 19.738 -36.229 1.00 0.00 O ATOM 1008 CB THR A 61 -19.584 17.543 -37.045 1.00 0.00 C ATOM 1009 OG1 THR A 61 -18.834 16.337 -36.829 1.00 0.00 O ATOM 1010 CG2 THR A 61 -19.728 17.787 -38.540 1.00 0.00 C ATOM 0 H THR A 61 -18.813 17.506 -34.671 1.00 0.00 H new ATOM 0 HA THR A 61 -18.014 19.022 -36.968 1.00 0.00 H new ATOM 0 HB THR A 61 -20.578 17.443 -36.610 1.00 0.00 H new ATOM 0 HG1 THR A 61 -19.290 15.586 -37.262 1.00 0.00 H new ATOM 0 HG21 THR A 61 -20.233 16.938 -39.000 1.00 0.00 H new ATOM 0 HG22 THR A 61 -20.313 18.691 -38.706 1.00 0.00 H new ATOM 0 HG23 THR A 61 -18.741 17.907 -38.986 1.00 0.00 H new ATOM 1018 N TYR A 62 -19.272 21.107 -36.161 1.00 0.00 N ATOM 1019 CA TYR A 62 -20.058 22.332 -36.135 1.00 0.00 C ATOM 1020 C TYR A 62 -20.179 22.897 -37.542 1.00 0.00 C ATOM 1021 O TYR A 62 -19.768 22.256 -38.509 1.00 0.00 O ATOM 1022 CB TYR A 62 -19.397 23.366 -35.221 1.00 0.00 C ATOM 1023 CG TYR A 62 -19.258 22.914 -33.789 1.00 0.00 C ATOM 1024 CD1 TYR A 62 -20.372 22.774 -32.974 1.00 0.00 C ATOM 1025 CD2 TYR A 62 -18.011 22.629 -33.252 1.00 0.00 C ATOM 1026 CE1 TYR A 62 -20.248 22.363 -31.663 1.00 0.00 C ATOM 1027 CE2 TYR A 62 -17.878 22.216 -31.942 1.00 0.00 C ATOM 1028 CZ TYR A 62 -18.999 22.084 -31.153 1.00 0.00 C ATOM 1029 OH TYR A 62 -18.868 21.675 -29.848 1.00 0.00 O ATOM 0 H TYR A 62 -18.265 21.255 -36.099 1.00 0.00 H new ATOM 0 HA TYR A 62 -21.052 22.103 -35.750 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -18.409 23.605 -35.614 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -19.981 24.286 -35.247 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -21.352 22.990 -33.372 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.130 22.732 -33.869 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.125 22.261 -31.040 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.901 21.998 -31.538 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.922 21.519 -29.648 1.00 0.00 H new ATOM 1039 N SER A 63 -20.726 24.099 -37.658 1.00 0.00 N ATOM 1040 CA SER A 63 -20.863 24.758 -38.949 1.00 0.00 C ATOM 1041 C SER A 63 -19.531 25.373 -39.389 1.00 0.00 C ATOM 1042 O SER A 63 -19.440 26.573 -39.646 1.00 0.00 O ATOM 1043 CB SER A 63 -21.945 25.834 -38.866 1.00 0.00 C ATOM 1044 OG SER A 63 -23.149 25.301 -38.330 1.00 0.00 O ATOM 0 H SER A 63 -21.083 24.639 -36.870 1.00 0.00 H new ATOM 0 HA SER A 63 -21.154 24.016 -39.692 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.598 26.658 -38.242 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.134 26.243 -39.858 1.00 0.00 H new ATOM 0 HG SER A 63 -23.827 26.007 -38.284 1.00 0.00 H new ATOM 1050 N ALA A 64 -18.505 24.538 -39.467 1.00 0.00 N ATOM 1051 CA ALA A 64 -17.176 24.978 -39.866 1.00 0.00 C ATOM 1052 C ALA A 64 -16.545 23.956 -40.799 1.00 0.00 C ATOM 1053 O ALA A 64 -15.446 23.455 -40.555 1.00 0.00 O ATOM 1054 CB ALA A 64 -16.304 25.196 -38.643 1.00 0.00 C ATOM 0 H ALA A 64 -18.569 23.542 -39.257 1.00 0.00 H new ATOM 0 HA ALA A 64 -17.263 25.925 -40.398 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.313 25.525 -38.957 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -16.754 25.957 -38.006 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -16.217 24.263 -38.087 1.00 0.00 H new ATOM 1060 N LEU A 65 -17.258 23.646 -41.865 1.00 0.00 N ATOM 1061 CA LEU A 65 -16.812 22.651 -42.826 1.00 0.00 C ATOM 1062 C LEU A 65 -16.032 23.318 -43.956 1.00 0.00 C ATOM 1063 O LEU A 65 -16.385 24.414 -44.391 1.00 0.00 O ATOM 1064 CB LEU A 65 -18.007 21.883 -43.414 1.00 0.00 C ATOM 1065 CG LEU A 65 -18.873 21.098 -42.415 1.00 0.00 C ATOM 1066 CD1 LEU A 65 -18.007 20.327 -41.429 1.00 0.00 C ATOM 1067 CD2 LEU A 65 -19.843 22.020 -41.688 1.00 0.00 C ATOM 0 H LEU A 65 -18.157 24.072 -42.090 1.00 0.00 H new ATOM 0 HA LEU A 65 -16.164 21.947 -42.304 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.647 22.594 -43.936 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -17.630 21.185 -44.162 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.461 20.374 -42.980 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.645 19.781 -40.734 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.376 19.623 -41.972 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -17.379 21.024 -40.874 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -20.443 21.438 -40.988 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.283 22.780 -41.142 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.498 22.503 -42.413 1.00 0.00 H new ATOM 1079 N PRO A 66 -14.961 22.671 -44.447 1.00 0.00 N ATOM 1080 CA PRO A 66 -14.155 23.196 -45.550 1.00 0.00 C ATOM 1081 C PRO A 66 -14.834 22.987 -46.903 1.00 0.00 C ATOM 1082 O PRO A 66 -14.270 22.363 -47.806 1.00 0.00 O ATOM 1083 CB PRO A 66 -12.849 22.385 -45.477 1.00 0.00 C ATOM 1084 CG PRO A 66 -12.971 21.501 -44.275 1.00 0.00 C ATOM 1085 CD PRO A 66 -14.436 21.386 -43.973 1.00 0.00 C ATOM 0 HA PRO A 66 -14.001 24.271 -45.461 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.707 21.794 -46.382 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.986 23.045 -45.389 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.538 20.520 -44.470 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.433 21.924 -43.427 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.893 20.544 -44.494 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.620 21.240 -42.909 1.00 0.00 H new ATOM 1093 N GLU A 67 -16.046 23.505 -47.034 1.00 0.00 N ATOM 1094 CA GLU A 67 -16.808 23.383 -48.267 1.00 0.00 C ATOM 1095 C GLU A 67 -17.582 24.672 -48.530 1.00 0.00 C ATOM 1096 O GLU A 67 -18.051 25.327 -47.595 1.00 0.00 O ATOM 1097 CB GLU A 67 -17.771 22.194 -48.186 1.00 0.00 C ATOM 1098 CG GLU A 67 -18.827 22.329 -47.100 1.00 0.00 C ATOM 1099 CD GLU A 67 -19.796 21.168 -47.082 1.00 0.00 C ATOM 1100 OE1 GLU A 67 -20.673 21.104 -47.969 1.00 0.00 O ATOM 1101 OE2 GLU A 67 -19.697 20.321 -46.170 1.00 0.00 O ATOM 0 H GLU A 67 -16.526 24.018 -46.294 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.116 23.211 -49.091 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.267 22.075 -49.149 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.196 21.285 -48.009 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.337 22.403 -46.129 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.380 23.256 -47.250 1.00 0.00 H new ATOM 1108 N PRO A 68 -17.709 25.062 -49.806 1.00 0.00 N ATOM 1109 CA PRO A 68 -18.435 26.274 -50.193 1.00 0.00 C ATOM 1110 C PRO A 68 -19.946 26.094 -50.084 1.00 0.00 C ATOM 1111 O PRO A 68 -20.475 25.024 -50.376 1.00 0.00 O ATOM 1112 CB PRO A 68 -18.026 26.471 -51.653 1.00 0.00 C ATOM 1113 CG PRO A 68 -17.729 25.097 -52.145 1.00 0.00 C ATOM 1114 CD PRO A 68 -17.150 24.354 -50.974 1.00 0.00 C ATOM 0 HA PRO A 68 -18.199 27.122 -49.550 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.826 26.935 -52.230 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.154 27.120 -51.737 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -18.633 24.609 -52.508 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.025 25.124 -52.977 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -17.439 23.303 -50.983 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.060 24.385 -50.978 1.00 0.00 H new ATOM 1122 N LYS A 69 -20.637 27.144 -49.662 1.00 0.00 N ATOM 1123 CA LYS A 69 -22.087 27.098 -49.536 1.00 0.00 C ATOM 1124 C LYS A 69 -22.749 27.741 -50.746 1.00 0.00 C ATOM 1125 O LYS A 69 -23.972 27.707 -50.892 1.00 0.00 O ATOM 1126 CB LYS A 69 -22.544 27.808 -48.260 1.00 0.00 C ATOM 1127 CG LYS A 69 -22.247 29.301 -48.248 1.00 0.00 C ATOM 1128 CD LYS A 69 -22.895 29.986 -47.058 1.00 0.00 C ATOM 1129 CE LYS A 69 -22.645 31.486 -47.072 1.00 0.00 C ATOM 1130 NZ LYS A 69 -21.211 31.814 -46.871 1.00 0.00 N ATOM 0 H LYS A 69 -20.218 28.037 -49.402 1.00 0.00 H new ATOM 0 HA LYS A 69 -22.386 26.051 -49.482 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -23.617 27.659 -48.137 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -22.057 27.343 -47.403 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.169 29.459 -48.218 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -22.609 29.753 -49.171 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -23.968 29.795 -47.067 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.504 29.560 -46.134 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -22.982 31.901 -48.022 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -23.238 31.959 -46.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.103 32.842 -46.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.860 31.328 -46.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.664 31.502 -47.699 1.00 0.00 H new ATOM 1144 N ALA A 70 -21.935 28.325 -51.608 1.00 0.00 N ATOM 1145 CA ALA A 70 -22.430 29.019 -52.777 1.00 0.00 C ATOM 1146 C ALA A 70 -21.450 28.887 -53.929 1.00 0.00 C ATOM 1147 O ALA A 70 -20.238 29.039 -53.751 1.00 0.00 O ATOM 1148 CB ALA A 70 -22.678 30.480 -52.452 1.00 0.00 C ATOM 0 H ALA A 70 -20.919 28.330 -51.516 1.00 0.00 H new ATOM 0 HA ALA A 70 -23.374 28.565 -53.079 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -23.050 30.992 -53.339 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -23.416 30.555 -51.653 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -21.746 30.944 -52.129 1.00 0.00 H new ATOM 1154 N THR A 71 -21.978 28.583 -55.098 1.00 0.00 N ATOM 1155 CA THR A 71 -21.172 28.452 -56.299 1.00 0.00 C ATOM 1156 C THR A 71 -20.867 29.824 -56.891 1.00 0.00 C ATOM 1157 O THR A 71 -21.765 30.407 -57.533 1.00 0.00 O ATOM 1158 CB THR A 71 -21.883 27.578 -57.350 1.00 0.00 C ATOM 1159 OG1 THR A 71 -23.213 28.068 -57.569 1.00 0.00 O ATOM 1160 CG2 THR A 71 -21.936 26.124 -56.900 1.00 0.00 C ATOM 1161 OXT THR A 71 -19.736 30.319 -56.708 1.00 0.00 O ATOM 0 H THR A 71 -22.974 28.420 -55.244 1.00 0.00 H new ATOM 0 HA THR A 71 -20.236 27.968 -56.020 1.00 0.00 H new ATOM 0 HB THR A 71 -21.318 27.630 -58.281 1.00 0.00 H new ATOM 0 HG1 THR A 71 -23.197 29.047 -57.618 1.00 0.00 H new ATOM 0 HG21 THR A 71 -22.442 25.527 -57.658 1.00 0.00 H new ATOM 0 HG22 THR A 71 -20.922 25.749 -56.760 1.00 0.00 H new ATOM 0 HG23 THR A 71 -22.482 26.054 -55.959 1.00 0.00 H new TER 1169 THR A 71