USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 864 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 54 LYS NZ :NH3+ -168:sc=-0.000188 (180deg=-0.109) USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= -1.31 F(o=-3.5!,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -135:sc= -1.38 (180deg=-3.25!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc=-0.000675 (180deg=-0.107) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= -0.277 (180deg=-1.82!) USER MOD Single : A 32 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-5.3!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 39 GLN : amide:sc= -0.172 K(o=-0.17,f=-1) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.0255 F(o=-0.99,f=-0.026) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -4.4 (180deg=-6.36!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.22 K(o=-1.2,f=-5) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.271 K(o=0.27,f=-2.9) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 94 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= -0.092 X(o=-0.092,f=-0.092) USER MOD Single : A 98 SER OG : rot 27:sc= 0.259 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -55:sc= 0.722 USER MOD Single : A 106 HIS : no HD1:sc= -5.11! C(o=-5.1!,f=-8.8!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.664 26.451 -3.504 1.00 0.00 N ATOM 2 CA GLY A 1 4.210 26.878 -4.779 1.00 0.00 C ATOM 3 C GLY A 1 4.151 25.787 -5.830 1.00 0.00 C ATOM 4 O GLY A 1 4.875 24.795 -5.746 1.00 0.00 O ATOM 0 H1 GLY A 1 3.727 27.232 -2.820 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.668 26.178 -3.627 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.205 25.636 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.659 27.749 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.245 27.190 -4.641 1.00 0.00 H new ATOM 8 N SER A 2 3.285 25.970 -6.821 1.00 0.00 N ATOM 9 CA SER A 2 3.130 24.991 -7.891 1.00 0.00 C ATOM 10 C SER A 2 3.685 25.529 -9.205 1.00 0.00 C ATOM 11 O SER A 2 3.496 26.698 -9.540 1.00 0.00 O ATOM 12 CB SER A 2 1.655 24.620 -8.061 1.00 0.00 C ATOM 13 OG SER A 2 0.922 25.691 -8.628 1.00 0.00 O ATOM 0 H SER A 2 2.680 26.787 -6.906 1.00 0.00 H new ATOM 0 HA SER A 2 3.693 24.099 -7.618 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.569 23.739 -8.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.229 24.356 -7.093 1.00 0.00 H new ATOM 0 HG SER A 2 -0.017 25.428 -8.728 1.00 0.00 H new ATOM 19 N SER A 3 4.373 24.667 -9.947 1.00 0.00 N ATOM 20 CA SER A 3 4.961 25.055 -11.224 1.00 0.00 C ATOM 21 C SER A 3 4.659 24.016 -12.299 1.00 0.00 C ATOM 22 O SER A 3 4.984 22.839 -12.149 1.00 0.00 O ATOM 23 CB SER A 3 6.473 25.233 -11.081 1.00 0.00 C ATOM 24 OG SER A 3 6.793 26.538 -10.630 1.00 0.00 O ATOM 0 H SER A 3 4.537 23.695 -9.686 1.00 0.00 H new ATOM 0 HA SER A 3 4.518 26.004 -11.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.864 24.496 -10.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.956 25.048 -12.040 1.00 0.00 H new ATOM 0 HG SER A 3 7.765 26.626 -10.545 1.00 0.00 H new ATOM 30 N GLY A 4 4.035 24.461 -13.386 1.00 0.00 N ATOM 31 CA GLY A 4 3.699 23.558 -14.471 1.00 0.00 C ATOM 32 C GLY A 4 4.845 23.373 -15.447 1.00 0.00 C ATOM 33 O GLY A 4 5.197 24.295 -16.183 1.00 0.00 O ATOM 0 H GLY A 4 3.756 25.431 -13.534 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.417 22.589 -14.059 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.830 23.943 -15.004 1.00 0.00 H new ATOM 37 N SER A 5 5.429 22.179 -15.452 1.00 0.00 N ATOM 38 CA SER A 5 6.545 21.879 -16.341 1.00 0.00 C ATOM 39 C SER A 5 6.441 20.456 -16.882 1.00 0.00 C ATOM 40 O SER A 5 6.548 19.486 -16.132 1.00 0.00 O ATOM 41 CB SER A 5 7.874 22.061 -15.606 1.00 0.00 C ATOM 42 OG SER A 5 8.054 23.408 -15.205 1.00 0.00 O ATOM 0 H SER A 5 5.148 21.404 -14.851 1.00 0.00 H new ATOM 0 HA SER A 5 6.505 22.573 -17.181 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.902 21.411 -14.731 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.696 21.758 -16.254 1.00 0.00 H new ATOM 0 HG SER A 5 8.910 23.498 -14.736 1.00 0.00 H new ATOM 48 N SER A 6 6.231 20.340 -18.189 1.00 0.00 N ATOM 49 CA SER A 6 6.109 19.036 -18.831 1.00 0.00 C ATOM 50 C SER A 6 7.427 18.623 -19.477 1.00 0.00 C ATOM 51 O SER A 6 7.942 19.309 -20.359 1.00 0.00 O ATOM 52 CB SER A 6 4.999 19.065 -19.884 1.00 0.00 C ATOM 53 OG SER A 6 3.749 19.384 -19.298 1.00 0.00 O ATOM 0 H SER A 6 6.142 21.133 -18.824 1.00 0.00 H new ATOM 0 HA SER A 6 5.855 18.303 -18.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.242 19.799 -20.653 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.936 18.095 -20.377 1.00 0.00 H new ATOM 0 HG SER A 6 3.057 19.398 -19.991 1.00 0.00 H new ATOM 59 N GLY A 7 7.970 17.494 -19.031 1.00 0.00 N ATOM 60 CA GLY A 7 9.224 17.007 -19.575 1.00 0.00 C ATOM 61 C GLY A 7 9.249 15.498 -19.714 1.00 0.00 C ATOM 62 O GLY A 7 8.322 14.903 -20.264 1.00 0.00 O ATOM 0 H GLY A 7 7.563 16.908 -18.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.394 17.461 -20.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.043 17.323 -18.929 1.00 0.00 H new ATOM 66 N MET A 8 10.312 14.877 -19.215 1.00 0.00 N ATOM 67 CA MET A 8 10.454 13.427 -19.286 1.00 0.00 C ATOM 68 C MET A 8 11.101 12.881 -18.017 1.00 0.00 C ATOM 69 O MET A 8 12.040 13.471 -17.485 1.00 0.00 O ATOM 70 CB MET A 8 11.287 13.034 -20.508 1.00 0.00 C ATOM 71 CG MET A 8 10.589 13.303 -21.831 1.00 0.00 C ATOM 72 SD MET A 8 8.967 12.522 -21.932 1.00 0.00 S ATOM 73 CE MET A 8 8.034 13.791 -22.786 1.00 0.00 C ATOM 0 H MET A 8 11.088 15.355 -18.757 1.00 0.00 H new ATOM 0 HA MET A 8 9.458 12.993 -19.380 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.230 13.581 -20.486 1.00 0.00 H new ATOM 0 HB3 MET A 8 11.532 11.974 -20.445 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.479 14.379 -21.967 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.214 12.941 -22.647 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.070 13.925 -22.296 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.588 14.729 -22.760 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.876 13.491 -23.822 1.00 0.00 H new ATOM 83 N ALA A 9 10.593 11.750 -17.539 1.00 0.00 N ATOM 84 CA ALA A 9 11.123 11.124 -16.334 1.00 0.00 C ATOM 85 C ALA A 9 11.340 9.629 -16.542 1.00 0.00 C ATOM 86 O ALA A 9 10.652 8.998 -17.344 1.00 0.00 O ATOM 87 CB ALA A 9 10.187 11.365 -15.158 1.00 0.00 C ATOM 0 H ALA A 9 9.815 11.249 -17.968 1.00 0.00 H new ATOM 0 HA ALA A 9 12.089 11.578 -16.114 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.595 10.892 -14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.086 12.437 -14.987 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.208 10.939 -15.379 1.00 0.00 H new ATOM 93 N ALA A 10 12.300 9.068 -15.814 1.00 0.00 N ATOM 94 CA ALA A 10 12.606 7.647 -15.919 1.00 0.00 C ATOM 95 C ALA A 10 11.856 6.845 -14.861 1.00 0.00 C ATOM 96 O ALA A 10 11.437 7.370 -13.830 1.00 0.00 O ATOM 97 CB ALA A 10 14.105 7.419 -15.792 1.00 0.00 C ATOM 0 H ALA A 10 12.879 9.576 -15.145 1.00 0.00 H new ATOM 0 HA ALA A 10 12.279 7.302 -16.900 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.319 6.353 -15.872 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.623 7.954 -16.588 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.448 7.786 -14.825 1.00 0.00 H new ATOM 103 N PRO A 11 11.680 5.540 -15.120 1.00 0.00 N ATOM 104 CA PRO A 11 10.979 4.638 -14.202 1.00 0.00 C ATOM 105 C PRO A 11 11.773 4.378 -12.927 1.00 0.00 C ATOM 106 O PRO A 11 12.963 4.064 -12.977 1.00 0.00 O ATOM 107 CB PRO A 11 10.834 3.348 -15.014 1.00 0.00 C ATOM 108 CG PRO A 11 11.951 3.393 -15.999 1.00 0.00 C ATOM 109 CD PRO A 11 12.153 4.846 -16.330 1.00 0.00 C ATOM 0 HA PRO A 11 10.030 5.055 -13.866 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.905 2.468 -14.375 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.867 3.302 -15.514 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.859 2.958 -15.580 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.706 2.819 -16.893 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.199 5.069 -16.538 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.583 5.141 -17.211 1.00 0.00 H new ATOM 117 N LEU A 12 11.108 4.509 -11.784 1.00 0.00 N ATOM 118 CA LEU A 12 11.752 4.288 -10.494 1.00 0.00 C ATOM 119 C LEU A 12 11.410 2.907 -9.945 1.00 0.00 C ATOM 120 O LEU A 12 10.340 2.364 -10.224 1.00 0.00 O ATOM 121 CB LEU A 12 11.324 5.366 -9.497 1.00 0.00 C ATOM 122 CG LEU A 12 9.988 5.135 -8.790 1.00 0.00 C ATOM 123 CD1 LEU A 12 10.184 4.287 -7.542 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.334 6.463 -8.438 1.00 0.00 C ATOM 0 H LEU A 12 10.123 4.767 -11.725 1.00 0.00 H new ATOM 0 HA LEU A 12 12.831 4.344 -10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.102 5.461 -8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.274 6.319 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 12 9.327 4.597 -9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.223 4.133 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.608 3.322 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.862 4.797 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.384 6.279 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.991 7.028 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.158 7.035 -9.349 1.00 0.00 H new ATOM 136 N CYS A 13 12.324 2.344 -9.162 1.00 0.00 N ATOM 137 CA CYS A 13 12.118 1.026 -8.572 1.00 0.00 C ATOM 138 C CYS A 13 12.036 1.118 -7.052 1.00 0.00 C ATOM 139 O CYS A 13 12.799 1.850 -6.421 1.00 0.00 O ATOM 140 CB CYS A 13 13.250 0.081 -8.978 1.00 0.00 C ATOM 141 SG CYS A 13 13.440 -0.120 -10.765 1.00 0.00 S ATOM 0 H CYS A 13 13.214 2.779 -8.921 1.00 0.00 H new ATOM 0 HA CYS A 13 11.173 0.631 -8.945 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.187 0.454 -8.564 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.071 -0.897 -8.530 1.00 0.00 H new ATOM 0 HG CYS A 13 14.423 -0.935 -11.008 1.00 0.00 H new ATOM 147 N VAL A 14 11.104 0.371 -6.468 1.00 0.00 N ATOM 148 CA VAL A 14 10.921 0.368 -5.022 1.00 0.00 C ATOM 149 C VAL A 14 10.639 -1.039 -4.506 1.00 0.00 C ATOM 150 O VAL A 14 9.868 -1.789 -5.105 1.00 0.00 O ATOM 151 CB VAL A 14 9.768 1.298 -4.600 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.113 2.748 -4.904 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.476 0.892 -5.293 1.00 0.00 C ATOM 0 H VAL A 14 10.464 -0.240 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 14 11.851 0.733 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 14 9.622 1.202 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.287 3.390 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.013 3.030 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.287 2.864 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.672 1.559 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.606 0.957 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.223 -0.132 -5.020 1.00 0.00 H new ATOM 163 N LYS A 15 11.269 -1.391 -3.391 1.00 0.00 N ATOM 164 CA LYS A 15 11.086 -2.708 -2.791 1.00 0.00 C ATOM 165 C LYS A 15 9.925 -2.698 -1.802 1.00 0.00 C ATOM 166 O LYS A 15 9.957 -1.988 -0.798 1.00 0.00 O ATOM 167 CB LYS A 15 12.368 -3.152 -2.084 1.00 0.00 C ATOM 168 CG LYS A 15 13.391 -3.780 -3.016 1.00 0.00 C ATOM 169 CD LYS A 15 14.777 -3.795 -2.394 1.00 0.00 C ATOM 170 CE LYS A 15 15.459 -2.441 -2.518 1.00 0.00 C ATOM 171 NZ LYS A 15 15.908 -2.173 -3.912 1.00 0.00 N ATOM 0 H LYS A 15 11.911 -0.783 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 15 10.855 -3.414 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.818 -2.290 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.113 -3.868 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.088 -4.799 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.418 -3.226 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.702 -4.071 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.387 -4.556 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.771 -1.657 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.317 -2.403 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.553 -1.357 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.403 -3.009 -4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.082 -1.965 -4.509 1.00 0.00 H new ATOM 185 N VAL A 16 8.900 -3.494 -2.093 1.00 0.00 N ATOM 186 CA VAL A 16 7.729 -3.579 -1.228 1.00 0.00 C ATOM 187 C VAL A 16 7.735 -4.873 -0.422 1.00 0.00 C ATOM 188 O VAL A 16 8.044 -5.941 -0.948 1.00 0.00 O ATOM 189 CB VAL A 16 6.423 -3.498 -2.040 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.218 -3.701 -1.135 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.333 -2.168 -2.772 1.00 0.00 C ATOM 0 H VAL A 16 8.857 -4.089 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 16 7.776 -2.729 -0.547 1.00 0.00 H new ATOM 0 HB VAL A 16 6.427 -4.296 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.304 -3.640 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.279 -4.681 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.205 -2.927 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.404 -2.128 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.351 -1.353 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.179 -2.069 -3.452 1.00 0.00 H new ATOM 201 N GLU A 17 7.390 -4.768 0.858 1.00 0.00 N ATOM 202 CA GLU A 17 7.355 -5.932 1.737 1.00 0.00 C ATOM 203 C GLU A 17 6.091 -5.931 2.590 1.00 0.00 C ATOM 204 O GLU A 17 5.809 -4.967 3.302 1.00 0.00 O ATOM 205 CB GLU A 17 8.592 -5.955 2.637 1.00 0.00 C ATOM 206 CG GLU A 17 8.734 -7.235 3.443 1.00 0.00 C ATOM 207 CD GLU A 17 9.482 -7.026 4.745 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.691 -6.719 4.693 1.00 0.00 O ATOM 209 OE2 GLU A 17 8.857 -7.168 5.817 1.00 0.00 O ATOM 0 H GLU A 17 7.131 -3.890 1.309 1.00 0.00 H new ATOM 0 HA GLU A 17 7.351 -6.827 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.482 -5.823 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.549 -5.108 3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.744 -7.636 3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.257 -7.981 2.844 1.00 0.00 H new ATOM 216 N PHE A 18 5.332 -7.019 2.513 1.00 0.00 N ATOM 217 CA PHE A 18 4.096 -7.145 3.277 1.00 0.00 C ATOM 218 C PHE A 18 4.281 -8.091 4.460 1.00 0.00 C ATOM 219 O PHE A 18 4.827 -9.184 4.315 1.00 0.00 O ATOM 220 CB PHE A 18 2.965 -7.649 2.379 1.00 0.00 C ATOM 221 CG PHE A 18 2.586 -6.684 1.292 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.318 -6.621 0.117 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.500 -5.838 1.446 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.972 -5.734 -0.885 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.149 -4.949 0.448 1.00 0.00 C ATOM 226 CZ PHE A 18 1.887 -4.896 -0.719 1.00 0.00 C ATOM 0 H PHE A 18 5.551 -7.826 1.929 1.00 0.00 H new ATOM 0 HA PHE A 18 3.834 -6.159 3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.265 -8.594 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.088 -7.854 2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.169 -7.273 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.921 -5.874 2.357 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.550 -5.696 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.299 -4.296 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.616 -4.201 -1.500 1.00 0.00 H new ATOM 236 N GLY A 19 3.822 -7.662 5.632 1.00 0.00 N ATOM 237 CA GLY A 19 3.947 -8.481 6.823 1.00 0.00 C ATOM 238 C GLY A 19 2.625 -8.665 7.541 1.00 0.00 C ATOM 239 O GLY A 19 2.161 -7.766 8.241 1.00 0.00 O ATOM 0 H GLY A 19 3.366 -6.761 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.347 -9.457 6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.665 -8.022 7.502 1.00 0.00 H new ATOM 243 N GLY A 20 2.016 -9.834 7.368 1.00 0.00 N ATOM 244 CA GLY A 20 0.745 -10.111 8.010 1.00 0.00 C ATOM 245 C GLY A 20 -0.206 -10.873 7.108 1.00 0.00 C ATOM 246 O GLY A 20 -1.406 -10.601 7.089 1.00 0.00 O ATOM 0 H GLY A 20 2.381 -10.594 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.918 -10.687 8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.281 -9.172 8.311 1.00 0.00 H new ATOM 250 N GLY A 21 0.331 -11.830 6.358 1.00 0.00 N ATOM 251 CA GLY A 21 -0.493 -12.618 5.459 1.00 0.00 C ATOM 252 C GLY A 21 -0.706 -11.936 4.122 1.00 0.00 C ATOM 253 O GLY A 21 -0.788 -12.597 3.087 1.00 0.00 O ATOM 0 H GLY A 21 1.321 -12.074 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.024 -13.589 5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.460 -12.805 5.927 1.00 0.00 H new ATOM 257 N ALA A 22 -0.798 -10.611 4.143 1.00 0.00 N ATOM 258 CA ALA A 22 -1.003 -9.840 2.923 1.00 0.00 C ATOM 259 C ALA A 22 -0.204 -10.424 1.763 1.00 0.00 C ATOM 260 O ALA A 22 -0.690 -10.494 0.635 1.00 0.00 O ATOM 261 CB ALA A 22 -0.622 -8.384 3.148 1.00 0.00 C ATOM 0 H ALA A 22 -0.734 -10.049 4.992 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.061 -9.892 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.780 -7.820 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.240 -7.965 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.428 -8.323 3.435 1.00 0.00 H new ATOM 267 N GLU A 23 1.026 -10.842 2.049 1.00 0.00 N ATOM 268 CA GLU A 23 1.892 -11.419 1.028 1.00 0.00 C ATOM 269 C GLU A 23 1.096 -12.309 0.078 1.00 0.00 C ATOM 270 O GLU A 23 1.276 -12.256 -1.139 1.00 0.00 O ATOM 271 CB GLU A 23 3.017 -12.226 1.679 1.00 0.00 C ATOM 272 CG GLU A 23 2.522 -13.309 2.623 1.00 0.00 C ATOM 273 CD GLU A 23 3.533 -13.651 3.700 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.633 -14.126 3.350 1.00 0.00 O ATOM 275 OE2 GLU A 23 3.223 -13.444 4.892 1.00 0.00 O ATOM 0 H GLU A 23 1.444 -10.792 2.978 1.00 0.00 H new ATOM 0 HA GLU A 23 2.327 -10.602 0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.622 -12.686 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.669 -11.547 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.594 -12.981 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.289 -14.207 2.050 1.00 0.00 H new ATOM 282 N LEU A 24 0.215 -13.128 0.643 1.00 0.00 N ATOM 283 CA LEU A 24 -0.609 -14.031 -0.152 1.00 0.00 C ATOM 284 C LEU A 24 -1.356 -13.270 -1.243 1.00 0.00 C ATOM 285 O LEU A 24 -1.416 -13.709 -2.392 1.00 0.00 O ATOM 286 CB LEU A 24 -1.606 -14.767 0.746 1.00 0.00 C ATOM 287 CG LEU A 24 -1.011 -15.502 1.947 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.065 -15.701 3.026 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.426 -16.839 1.518 1.00 0.00 C ATOM 0 H LEU A 24 0.053 -13.185 1.649 1.00 0.00 H new ATOM 0 HA LEU A 24 0.049 -14.758 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.336 -14.045 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.149 -15.489 0.136 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.207 -14.892 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.624 -16.226 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.437 -14.731 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.890 -16.289 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.007 -17.348 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.211 -17.456 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.359 -16.673 0.781 1.00 0.00 H new ATOM 301 N LEU A 25 -1.921 -12.125 -0.876 1.00 0.00 N ATOM 302 CA LEU A 25 -2.662 -11.299 -1.824 1.00 0.00 C ATOM 303 C LEU A 25 -1.759 -10.833 -2.962 1.00 0.00 C ATOM 304 O LEU A 25 -2.234 -10.323 -3.976 1.00 0.00 O ATOM 305 CB LEU A 25 -3.269 -10.090 -1.111 1.00 0.00 C ATOM 306 CG LEU A 25 -4.557 -10.349 -0.329 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.719 -9.329 0.787 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.761 -10.319 -1.260 1.00 0.00 C ATOM 0 H LEU A 25 -1.880 -11.747 0.071 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.464 -11.904 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.525 -9.688 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.468 -9.317 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.494 -11.340 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.641 -9.530 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.872 -9.398 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.760 -8.327 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.669 -10.505 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.827 -9.341 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.650 -11.089 -2.024 1.00 0.00 H new ATOM 320 N PHE A 26 -0.454 -11.013 -2.787 1.00 0.00 N ATOM 321 CA PHE A 26 0.516 -10.612 -3.799 1.00 0.00 C ATOM 322 C PHE A 26 1.460 -11.763 -4.135 1.00 0.00 C ATOM 323 O PHE A 26 2.562 -11.854 -3.595 1.00 0.00 O ATOM 324 CB PHE A 26 1.320 -9.403 -3.315 1.00 0.00 C ATOM 325 CG PHE A 26 0.463 -8.248 -2.883 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.007 -8.156 -1.578 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.113 -7.254 -3.783 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.781 -7.094 -1.177 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.675 -6.189 -3.387 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.123 -6.109 -2.083 1.00 0.00 C ATOM 0 H PHE A 26 -0.044 -11.434 -1.953 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.031 -10.339 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.953 -9.708 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.983 -9.074 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.271 -8.924 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.459 -7.312 -4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.129 -7.034 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.940 -5.420 -4.097 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.739 -5.278 -1.772 1.00 0.00 H new ATOM 340 N ASP A 27 1.018 -12.641 -5.029 1.00 0.00 N ATOM 341 CA ASP A 27 1.822 -13.787 -5.437 1.00 0.00 C ATOM 342 C ASP A 27 2.499 -14.433 -4.233 1.00 0.00 C ATOM 343 O ASP A 27 3.565 -15.034 -4.355 1.00 0.00 O ATOM 344 CB ASP A 27 2.875 -13.359 -6.461 1.00 0.00 C ATOM 345 CG ASP A 27 2.322 -12.395 -7.492 1.00 0.00 C ATOM 346 OD1 ASP A 27 2.279 -11.180 -7.206 1.00 0.00 O ATOM 347 OD2 ASP A 27 1.933 -12.856 -8.585 1.00 0.00 O ATOM 0 H ASP A 27 0.107 -12.581 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 27 1.158 -14.521 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.712 -12.891 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.266 -14.242 -6.966 1.00 0.00 H new ATOM 352 N GLY A 28 1.871 -14.304 -3.068 1.00 0.00 N ATOM 353 CA GLY A 28 2.428 -14.880 -1.857 1.00 0.00 C ATOM 354 C GLY A 28 3.938 -14.758 -1.799 1.00 0.00 C ATOM 355 O GLY A 28 4.652 -15.758 -1.879 1.00 0.00 O ATOM 0 H GLY A 28 0.987 -13.811 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.993 -14.385 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.149 -15.932 -1.797 1.00 0.00 H new ATOM 359 N VAL A 29 4.426 -13.530 -1.661 1.00 0.00 N ATOM 360 CA VAL A 29 5.861 -13.281 -1.593 1.00 0.00 C ATOM 361 C VAL A 29 6.188 -12.232 -0.536 1.00 0.00 C ATOM 362 O VAL A 29 5.391 -11.331 -0.273 1.00 0.00 O ATOM 363 CB VAL A 29 6.415 -12.815 -2.952 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.829 -12.275 -2.796 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.379 -13.953 -3.961 1.00 0.00 C ATOM 0 H VAL A 29 3.849 -12.692 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 29 6.333 -14.225 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 29 5.783 -12.009 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.204 -11.951 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.822 -11.429 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.476 -13.058 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.774 -13.606 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.986 -14.782 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.351 -14.288 -4.095 1.00 0.00 H new ATOM 375 N LYS A 30 7.366 -12.354 0.067 1.00 0.00 N ATOM 376 CA LYS A 30 7.800 -11.415 1.094 1.00 0.00 C ATOM 377 C LYS A 30 8.212 -10.083 0.476 1.00 0.00 C ATOM 378 O LYS A 30 7.570 -9.056 0.703 1.00 0.00 O ATOM 379 CB LYS A 30 8.969 -12.002 1.889 1.00 0.00 C ATOM 380 CG LYS A 30 8.652 -13.338 2.538 1.00 0.00 C ATOM 381 CD LYS A 30 9.907 -14.169 2.746 1.00 0.00 C ATOM 382 CE LYS A 30 9.588 -15.655 2.810 1.00 0.00 C ATOM 383 NZ LYS A 30 8.864 -16.013 4.061 1.00 0.00 N ATOM 0 H LYS A 30 8.037 -13.094 -0.138 1.00 0.00 H new ATOM 0 HA LYS A 30 6.961 -11.239 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.825 -12.124 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.264 -11.293 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.162 -13.170 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.949 -13.889 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.608 -13.981 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.399 -13.862 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.983 -15.934 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.513 -16.228 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.665 -17.034 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.452 -15.770 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.969 -15.485 4.107 1.00 0.00 H new ATOM 397 N LYS A 31 9.284 -10.106 -0.309 1.00 0.00 N ATOM 398 CA LYS A 31 9.780 -8.901 -0.963 1.00 0.00 C ATOM 399 C LYS A 31 9.391 -8.884 -2.438 1.00 0.00 C ATOM 400 O LYS A 31 9.643 -9.843 -3.168 1.00 0.00 O ATOM 401 CB LYS A 31 11.301 -8.809 -0.824 1.00 0.00 C ATOM 402 CG LYS A 31 11.759 -8.335 0.544 1.00 0.00 C ATOM 403 CD LYS A 31 13.224 -7.931 0.532 1.00 0.00 C ATOM 404 CE LYS A 31 13.397 -6.475 0.124 1.00 0.00 C ATOM 405 NZ LYS A 31 14.800 -6.010 0.311 1.00 0.00 N ATOM 0 H LYS A 31 9.826 -10.947 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 31 9.325 -8.039 -0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.736 -9.788 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.686 -8.128 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.150 -7.488 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.605 -9.128 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.654 -8.086 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.774 -8.571 -0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.110 -6.354 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.726 -5.850 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.799 -5.013 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.263 -6.587 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.319 -6.105 -0.585 1.00 0.00 H new ATOM 419 N HIS A 32 8.777 -7.787 -2.871 1.00 0.00 N ATOM 420 CA HIS A 32 8.356 -7.645 -4.260 1.00 0.00 C ATOM 421 C HIS A 32 9.046 -6.453 -4.918 1.00 0.00 C ATOM 422 O HIS A 32 8.947 -5.325 -4.438 1.00 0.00 O ATOM 423 CB HIS A 32 6.839 -7.478 -4.341 1.00 0.00 C ATOM 424 CG HIS A 32 6.091 -8.313 -3.348 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.407 -9.460 -3.693 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.923 -8.164 -2.013 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.850 -9.979 -2.613 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.148 -9.212 -1.581 1.00 0.00 N ATOM 0 H HIS A 32 8.560 -6.984 -2.280 1.00 0.00 H new ATOM 0 HA HIS A 32 8.644 -8.550 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.588 -6.429 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.506 -7.738 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.324 -7.369 -1.402 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.252 -10.878 -2.580 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.851 -9.372 -0.618 1.00 0.00 H new ATOM 437 N GLN A 33 9.746 -6.714 -6.018 1.00 0.00 N ATOM 438 CA GLN A 33 10.453 -5.663 -6.739 1.00 0.00 C ATOM 439 C GLN A 33 9.496 -4.868 -7.621 1.00 0.00 C ATOM 440 O GLN A 33 9.012 -5.367 -8.637 1.00 0.00 O ATOM 441 CB GLN A 33 11.571 -6.265 -7.593 1.00 0.00 C ATOM 442 CG GLN A 33 12.630 -6.995 -6.783 1.00 0.00 C ATOM 443 CD GLN A 33 13.935 -7.153 -7.537 1.00 0.00 C ATOM 444 OE1 GLN A 33 14.523 -6.173 -7.997 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.397 -8.391 -7.668 1.00 0.00 N ATOM 0 H GLN A 33 9.838 -7.643 -6.428 1.00 0.00 H new ATOM 0 HA GLN A 33 10.890 -4.985 -6.006 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.134 -6.958 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.048 -5.469 -8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.813 -6.450 -5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.254 -7.980 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.877 -9.174 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.271 -8.559 -8.166 1.00 0.00 H new ATOM 454 N VAL A 34 9.225 -3.628 -7.225 1.00 0.00 N ATOM 455 CA VAL A 34 8.326 -2.764 -7.979 1.00 0.00 C ATOM 456 C VAL A 34 9.106 -1.793 -8.859 1.00 0.00 C ATOM 457 O VAL A 34 10.141 -1.267 -8.453 1.00 0.00 O ATOM 458 CB VAL A 34 7.401 -1.962 -7.043 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.540 -0.997 -7.842 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.537 -2.902 -6.216 1.00 0.00 C ATOM 0 H VAL A 34 9.616 -3.200 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 34 7.718 -3.413 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 34 8.019 -1.379 -6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.893 -0.440 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.180 -0.303 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.928 -1.556 -8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.890 -2.319 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.925 -3.513 -6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.176 -3.548 -5.614 1.00 0.00 H new ATOM 470 N ALA A 35 8.600 -1.559 -10.065 1.00 0.00 N ATOM 471 CA ALA A 35 9.248 -0.649 -11.002 1.00 0.00 C ATOM 472 C ALA A 35 8.234 0.291 -11.644 1.00 0.00 C ATOM 473 O ALA A 35 7.709 0.012 -12.723 1.00 0.00 O ATOM 474 CB ALA A 35 9.993 -1.435 -12.071 1.00 0.00 C ATOM 0 H ALA A 35 7.743 -1.987 -10.416 1.00 0.00 H new ATOM 0 HA ALA A 35 9.964 -0.044 -10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.472 -0.743 -12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.751 -2.061 -11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.290 -2.065 -12.616 1.00 0.00 H new ATOM 480 N LEU A 36 7.961 1.405 -10.975 1.00 0.00 N ATOM 481 CA LEU A 36 7.008 2.388 -11.480 1.00 0.00 C ATOM 482 C LEU A 36 7.516 3.026 -12.768 1.00 0.00 C ATOM 483 O LEU A 36 8.719 3.189 -12.978 1.00 0.00 O ATOM 484 CB LEU A 36 6.753 3.468 -10.428 1.00 0.00 C ATOM 485 CG LEU A 36 6.485 2.971 -9.007 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.766 4.071 -7.995 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.052 2.477 -8.876 1.00 0.00 C ATOM 0 H LEU A 36 8.386 1.651 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 36 6.072 1.873 -11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.616 4.133 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.900 4.066 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 36 7.156 2.137 -8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.570 3.699 -6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.809 4.378 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.121 4.926 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.879 2.127 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.364 3.292 -9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.884 1.657 -9.575 1.00 0.00 H new ATOM 499 N PRO A 37 6.580 3.400 -13.653 1.00 0.00 N ATOM 500 CA PRO A 37 6.909 4.030 -14.935 1.00 0.00 C ATOM 501 C PRO A 37 7.452 5.445 -14.764 1.00 0.00 C ATOM 502 O PRO A 37 7.643 5.915 -13.643 1.00 0.00 O ATOM 503 CB PRO A 37 5.568 4.058 -15.672 1.00 0.00 C ATOM 504 CG PRO A 37 4.542 4.050 -14.591 1.00 0.00 C ATOM 505 CD PRO A 37 5.128 3.237 -13.470 1.00 0.00 C ATOM 0 HA PRO A 37 7.691 3.488 -15.466 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.478 4.947 -16.297 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.459 3.195 -16.328 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.315 5.064 -14.261 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.608 3.613 -14.943 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.802 3.602 -12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.830 2.191 -13.534 1.00 0.00 H new ATOM 513 N GLY A 38 7.697 6.120 -15.883 1.00 0.00 N ATOM 514 CA GLY A 38 8.215 7.474 -15.834 1.00 0.00 C ATOM 515 C GLY A 38 7.278 8.477 -16.477 1.00 0.00 C ATOM 516 O GLY A 38 6.789 8.257 -17.584 1.00 0.00 O ATOM 0 H GLY A 38 7.546 5.753 -16.823 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.387 7.756 -14.795 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.181 7.509 -16.338 1.00 0.00 H new ATOM 520 N GLN A 39 7.026 9.580 -15.780 1.00 0.00 N ATOM 521 CA GLN A 39 6.138 10.619 -16.289 1.00 0.00 C ATOM 522 C GLN A 39 6.507 11.982 -15.711 1.00 0.00 C ATOM 523 O GLN A 39 7.426 12.094 -14.901 1.00 0.00 O ATOM 524 CB GLN A 39 4.683 10.286 -15.952 1.00 0.00 C ATOM 525 CG GLN A 39 4.488 9.778 -14.533 1.00 0.00 C ATOM 526 CD GLN A 39 3.062 9.942 -14.046 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.161 10.264 -14.822 1.00 0.00 O ATOM 528 NE2 GLN A 39 2.848 9.721 -12.754 1.00 0.00 N ATOM 0 H GLN A 39 7.424 9.777 -14.862 1.00 0.00 H new ATOM 0 HA GLN A 39 6.252 10.661 -17.372 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.072 11.177 -16.097 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.320 9.533 -16.652 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.765 8.725 -14.487 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.161 10.314 -13.863 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.623 9.456 -12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.908 9.816 -12.369 1.00 0.00 H new ATOM 537 N GLU A 40 5.784 13.014 -16.135 1.00 0.00 N ATOM 538 CA GLU A 40 6.037 14.369 -15.660 1.00 0.00 C ATOM 539 C GLU A 40 5.776 14.478 -14.160 1.00 0.00 C ATOM 540 O GLU A 40 6.465 15.210 -13.452 1.00 0.00 O ATOM 541 CB GLU A 40 5.161 15.370 -16.415 1.00 0.00 C ATOM 542 CG GLU A 40 5.384 15.361 -17.918 1.00 0.00 C ATOM 543 CD GLU A 40 4.565 14.296 -18.623 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.342 14.495 -18.778 1.00 0.00 O ATOM 545 OE2 GLU A 40 5.148 13.264 -19.018 1.00 0.00 O ATOM 0 H GLU A 40 5.019 12.938 -16.806 1.00 0.00 H new ATOM 0 HA GLU A 40 7.085 14.602 -15.847 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.113 15.150 -16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.357 16.372 -16.033 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.129 16.339 -18.325 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.442 15.196 -18.124 1.00 0.00 H new ATOM 552 N GLU A 41 4.775 13.743 -13.685 1.00 0.00 N ATOM 553 CA GLU A 41 4.421 13.758 -12.271 1.00 0.00 C ATOM 554 C GLU A 41 5.045 12.572 -11.541 1.00 0.00 C ATOM 555 O GLU A 41 4.973 11.428 -11.990 1.00 0.00 O ATOM 556 CB GLU A 41 2.901 13.733 -12.102 1.00 0.00 C ATOM 557 CG GLU A 41 2.227 15.050 -12.449 1.00 0.00 C ATOM 558 CD GLU A 41 2.303 16.059 -11.319 1.00 0.00 C ATOM 559 OE1 GLU A 41 3.307 16.798 -11.251 1.00 0.00 O ATOM 560 OE2 GLU A 41 1.359 16.109 -10.504 1.00 0.00 O ATOM 0 H GLU A 41 4.195 13.130 -14.259 1.00 0.00 H new ATOM 0 HA GLU A 41 4.812 14.677 -11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.487 12.946 -12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.663 13.474 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.696 15.470 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.182 14.865 -12.696 1.00 0.00 H new ATOM 567 N PRO A 42 5.673 12.850 -10.389 1.00 0.00 N ATOM 568 CA PRO A 42 6.322 11.820 -9.573 1.00 0.00 C ATOM 569 C PRO A 42 5.315 10.884 -8.912 1.00 0.00 C ATOM 570 O PRO A 42 4.218 11.301 -8.541 1.00 0.00 O ATOM 571 CB PRO A 42 7.075 12.629 -8.514 1.00 0.00 C ATOM 572 CG PRO A 42 6.327 13.913 -8.415 1.00 0.00 C ATOM 573 CD PRO A 42 5.798 14.191 -9.795 1.00 0.00 C ATOM 0 HA PRO A 42 6.963 11.171 -10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.094 12.107 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.112 12.796 -8.807 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.514 13.836 -7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.978 14.719 -8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.838 14.706 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.479 14.822 -10.367 1.00 0.00 H new ATOM 581 N TRP A 43 5.696 9.620 -8.767 1.00 0.00 N ATOM 582 CA TRP A 43 4.825 8.626 -8.150 1.00 0.00 C ATOM 583 C TRP A 43 4.679 8.884 -6.655 1.00 0.00 C ATOM 584 O TRP A 43 5.667 8.914 -5.921 1.00 0.00 O ATOM 585 CB TRP A 43 5.377 7.219 -8.386 1.00 0.00 C ATOM 586 CG TRP A 43 4.955 6.627 -9.697 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.590 6.761 -10.898 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.804 5.811 -9.937 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.903 6.076 -11.872 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.804 5.484 -11.308 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.775 5.322 -9.128 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.814 4.693 -11.884 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.793 4.537 -9.702 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.818 4.228 -11.069 1.00 0.00 C ATOM 0 H TRP A 43 6.601 9.259 -9.068 1.00 0.00 H new ATOM 0 HA TRP A 43 3.840 8.705 -8.611 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.466 7.252 -8.344 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.046 6.567 -7.578 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.498 7.322 -11.059 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.169 6.018 -12.855 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.748 5.553 -8.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.831 4.455 -12.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.992 4.155 -9.086 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.036 3.611 -11.487 1.00 0.00 H new ATOM 605 N ASP A 44 3.441 9.070 -6.210 1.00 0.00 N ATOM 606 CA ASP A 44 3.165 9.324 -4.800 1.00 0.00 C ATOM 607 C ASP A 44 2.346 8.190 -4.193 1.00 0.00 C ATOM 608 O ASP A 44 1.638 7.474 -4.903 1.00 0.00 O ATOM 609 CB ASP A 44 2.422 10.651 -4.635 1.00 0.00 C ATOM 610 CG ASP A 44 2.821 11.672 -5.683 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.000 11.670 -6.095 1.00 0.00 O ATOM 612 OD2 ASP A 44 1.953 12.473 -6.092 1.00 0.00 O ATOM 0 H ASP A 44 2.613 9.050 -6.805 1.00 0.00 H new ATOM 0 HA ASP A 44 4.118 9.382 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.348 10.473 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.623 11.056 -3.643 1.00 0.00 H new ATOM 617 N ILE A 45 2.449 8.031 -2.878 1.00 0.00 N ATOM 618 CA ILE A 45 1.717 6.983 -2.177 1.00 0.00 C ATOM 619 C ILE A 45 0.335 6.775 -2.786 1.00 0.00 C ATOM 620 O ILE A 45 0.047 5.719 -3.350 1.00 0.00 O ATOM 621 CB ILE A 45 1.562 7.311 -0.680 1.00 0.00 C ATOM 622 CG1 ILE A 45 2.935 7.516 -0.035 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.798 6.202 0.029 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.859 6.329 -0.192 1.00 0.00 C ATOM 0 H ILE A 45 3.032 8.614 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 45 2.299 6.067 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 45 0.994 8.236 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.407 8.394 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.801 7.724 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.697 6.448 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.192 6.100 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.341 5.263 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.813 6.545 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.408 5.453 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.023 6.133 -1.252 1.00 0.00 H new ATOM 636 N ARG A 46 -0.516 7.789 -2.670 1.00 0.00 N ATOM 637 CA ARG A 46 -1.868 7.718 -3.210 1.00 0.00 C ATOM 638 C ARG A 46 -1.886 6.956 -4.532 1.00 0.00 C ATOM 639 O ARG A 46 -2.801 6.179 -4.799 1.00 0.00 O ATOM 640 CB ARG A 46 -2.434 9.125 -3.411 1.00 0.00 C ATOM 641 CG ARG A 46 -1.523 10.039 -4.214 1.00 0.00 C ATOM 642 CD ARG A 46 -2.283 11.232 -4.772 1.00 0.00 C ATOM 643 NE ARG A 46 -2.380 12.320 -3.802 1.00 0.00 N ATOM 644 CZ ARG A 46 -3.255 13.315 -3.900 1.00 0.00 C ATOM 645 NH1 ARG A 46 -4.103 13.359 -4.918 1.00 0.00 N ATOM 646 NH2 ARG A 46 -3.283 14.269 -2.978 1.00 0.00 N ATOM 0 H ARG A 46 -0.293 8.670 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.491 7.182 -2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.397 9.051 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.619 9.576 -2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.708 10.389 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.073 9.478 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.784 11.592 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.284 10.919 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.742 12.316 -3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.085 12.628 -5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.774 14.124 -4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.632 14.239 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.955 15.032 -3.054 1.00 0.00 H new ATOM 660 N ASN A 47 -0.868 7.186 -5.355 1.00 0.00 N ATOM 661 CA ASN A 47 -0.768 6.523 -6.650 1.00 0.00 C ATOM 662 C ASN A 47 -0.248 5.097 -6.492 1.00 0.00 C ATOM 663 O ASN A 47 -0.875 4.142 -6.952 1.00 0.00 O ATOM 664 CB ASN A 47 0.154 7.313 -7.581 1.00 0.00 C ATOM 665 CG ASN A 47 -0.361 8.713 -7.852 1.00 0.00 C ATOM 666 OD1 ASN A 47 0.222 9.699 -7.179 1.00 0.00 O flip ATOM 667 ND2 ASN A 47 -1.272 8.907 -8.658 1.00 0.00 N flip ATOM 0 H ASN A 47 -0.101 7.826 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.766 6.481 -7.087 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.148 7.374 -7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.258 6.778 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.691 8.120 -9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.607 9.855 -8.830 1.00 0.00 H new ATOM 674 N LEU A 48 0.900 4.961 -5.838 1.00 0.00 N ATOM 675 CA LEU A 48 1.505 3.652 -5.618 1.00 0.00 C ATOM 676 C LEU A 48 0.447 2.620 -5.239 1.00 0.00 C ATOM 677 O LEU A 48 0.437 1.505 -5.761 1.00 0.00 O ATOM 678 CB LEU A 48 2.567 3.737 -4.520 1.00 0.00 C ATOM 679 CG LEU A 48 3.457 2.505 -4.351 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.572 2.506 -5.384 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.032 2.452 -2.943 1.00 0.00 C ATOM 0 H LEU A 48 1.431 5.741 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 48 1.977 3.336 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.205 4.596 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.066 3.931 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 48 2.847 1.615 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.195 1.622 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.141 2.496 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.181 3.401 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.663 1.569 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.627 3.346 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.218 2.403 -2.219 1.00 0.00 H new ATOM 693 N LEU A 49 -0.444 3.001 -4.330 1.00 0.00 N ATOM 694 CA LEU A 49 -1.509 2.110 -3.883 1.00 0.00 C ATOM 695 C LEU A 49 -2.242 1.497 -5.072 1.00 0.00 C ATOM 696 O LEU A 49 -2.417 0.281 -5.148 1.00 0.00 O ATOM 697 CB LEU A 49 -2.497 2.869 -2.995 1.00 0.00 C ATOM 698 CG LEU A 49 -2.167 2.904 -1.502 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.739 1.528 -1.017 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.082 3.933 -1.220 1.00 0.00 C ATOM 0 H LEU A 49 -0.450 3.920 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.056 1.304 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.565 3.895 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.483 2.422 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.066 3.194 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.508 1.573 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.547 0.816 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.854 1.207 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.860 3.944 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.181 3.673 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.427 4.920 -1.529 1.00 0.00 H new ATOM 712 N VAL A 50 -2.668 2.349 -6.000 1.00 0.00 N ATOM 713 CA VAL A 50 -3.380 1.892 -7.187 1.00 0.00 C ATOM 714 C VAL A 50 -2.549 0.882 -7.971 1.00 0.00 C ATOM 715 O VAL A 50 -3.004 -0.226 -8.253 1.00 0.00 O ATOM 716 CB VAL A 50 -3.743 3.069 -8.111 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.474 2.571 -9.349 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.582 4.094 -7.363 1.00 0.00 C ATOM 0 H VAL A 50 -2.532 3.359 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.297 1.414 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.821 3.553 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.722 3.417 -9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.834 1.878 -9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.390 2.061 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.829 4.919 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.500 3.625 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.018 4.474 -6.511 1.00 0.00 H new ATOM 728 N TRP A 51 -1.328 1.273 -8.320 1.00 0.00 N ATOM 729 CA TRP A 51 -0.433 0.401 -9.072 1.00 0.00 C ATOM 730 C TRP A 51 -0.227 -0.924 -8.347 1.00 0.00 C ATOM 731 O TRP A 51 -0.171 -1.983 -8.973 1.00 0.00 O ATOM 732 CB TRP A 51 0.915 1.090 -9.294 1.00 0.00 C ATOM 733 CG TRP A 51 1.870 0.275 -10.113 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.251 0.510 -11.403 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.564 -0.906 -9.696 1.00 0.00 C ATOM 736 NE1 TRP A 51 3.139 -0.454 -11.814 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.349 -1.334 -10.785 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.601 -1.643 -8.510 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.158 -2.465 -10.721 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.404 -2.765 -8.447 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.174 -3.167 -9.546 1.00 0.00 C ATOM 0 H TRP A 51 -0.936 2.187 -8.094 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.893 0.196 -10.039 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.749 2.047 -9.788 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.369 1.305 -8.327 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.905 1.333 -12.011 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.572 -0.506 -12.736 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.012 -1.341 -7.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.751 -2.777 -11.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.439 -3.342 -7.535 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.793 -4.048 -9.465 1.00 0.00 H new ATOM 752 N ILE A 52 -0.116 -0.859 -7.024 1.00 0.00 N ATOM 753 CA ILE A 52 0.082 -2.055 -6.215 1.00 0.00 C ATOM 754 C ILE A 52 -1.208 -2.858 -6.097 1.00 0.00 C ATOM 755 O ILE A 52 -1.182 -4.084 -5.986 1.00 0.00 O ATOM 756 CB ILE A 52 0.585 -1.702 -4.803 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.030 -1.202 -4.862 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.474 -2.909 -3.884 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.517 -0.603 -3.561 1.00 0.00 C ATOM 0 H ILE A 52 -0.160 0.009 -6.490 1.00 0.00 H new ATOM 0 HA ILE A 52 0.837 -2.657 -6.721 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.039 -0.904 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.682 -2.031 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.115 -0.455 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.833 -2.644 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.568 -3.224 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.077 -3.726 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.548 -0.270 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.889 0.247 -3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.465 -1.354 -2.773 1.00 0.00 H new ATOM 771 N LYS A 53 -2.338 -2.160 -6.124 1.00 0.00 N ATOM 772 CA LYS A 53 -3.641 -2.807 -6.023 1.00 0.00 C ATOM 773 C LYS A 53 -4.164 -3.195 -7.402 1.00 0.00 C ATOM 774 O LYS A 53 -5.128 -3.951 -7.522 1.00 0.00 O ATOM 775 CB LYS A 53 -4.641 -1.880 -5.329 1.00 0.00 C ATOM 776 CG LYS A 53 -4.340 -1.653 -3.857 1.00 0.00 C ATOM 777 CD LYS A 53 -5.264 -0.608 -3.254 1.00 0.00 C ATOM 778 CE LYS A 53 -6.680 -1.140 -3.097 1.00 0.00 C ATOM 779 NZ LYS A 53 -6.693 -2.566 -2.668 1.00 0.00 N ATOM 0 H LYS A 53 -2.378 -1.145 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.523 -3.714 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.649 -0.918 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.642 -2.301 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.447 -2.592 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.304 -1.334 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.880 -0.299 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.275 0.278 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.216 -0.536 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.212 -1.041 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.634 -2.809 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.473 -3.175 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.980 -2.711 -1.924 1.00 0.00 H new ATOM 793 N LYS A 54 -3.521 -2.673 -8.442 1.00 0.00 N ATOM 794 CA LYS A 54 -3.919 -2.967 -9.814 1.00 0.00 C ATOM 795 C LYS A 54 -3.007 -4.022 -10.431 1.00 0.00 C ATOM 796 O LYS A 54 -3.469 -4.923 -11.129 1.00 0.00 O ATOM 797 CB LYS A 54 -3.887 -1.692 -10.659 1.00 0.00 C ATOM 798 CG LYS A 54 -2.537 -1.421 -11.301 1.00 0.00 C ATOM 799 CD LYS A 54 -2.464 -0.016 -11.874 1.00 0.00 C ATOM 800 CE LYS A 54 -3.324 0.123 -13.121 1.00 0.00 C ATOM 801 NZ LYS A 54 -2.737 -0.600 -14.283 1.00 0.00 N ATOM 0 H LYS A 54 -2.722 -2.044 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.936 -3.358 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.643 -1.765 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.158 -0.843 -10.031 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.748 -1.555 -10.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.357 -2.148 -12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.792 0.702 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.429 0.226 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.322 -0.265 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.436 1.178 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.233 -0.319 -15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.728 -0.361 -14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.839 -1.625 -14.142 1.00 0.00 H new ATOM 815 N ASN A 55 -1.710 -3.904 -10.167 1.00 0.00 N ATOM 816 CA ASN A 55 -0.733 -4.848 -10.696 1.00 0.00 C ATOM 817 C ASN A 55 -0.336 -5.871 -9.636 1.00 0.00 C ATOM 818 O ASN A 55 -0.761 -7.026 -9.682 1.00 0.00 O ATOM 819 CB ASN A 55 0.509 -4.105 -11.194 1.00 0.00 C ATOM 820 CG ASN A 55 0.247 -3.337 -12.475 1.00 0.00 C ATOM 821 OD1 ASN A 55 -0.026 -2.044 -12.344 1.00 0.00 O flip ATOM 822 ND2 ASN A 55 0.291 -3.899 -13.569 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.311 -3.164 -9.590 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.191 -5.376 -11.532 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.850 -3.414 -10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.315 -4.820 -11.360 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.505 -4.895 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.114 -3.369 -14.422 1.00 0.00 H new ATOM 829 N LEU A 56 0.482 -5.439 -8.682 1.00 0.00 N ATOM 830 CA LEU A 56 0.936 -6.317 -7.609 1.00 0.00 C ATOM 831 C LEU A 56 -0.222 -7.135 -7.046 1.00 0.00 C ATOM 832 O LEU A 56 -0.073 -8.322 -6.752 1.00 0.00 O ATOM 833 CB LEU A 56 1.585 -5.496 -6.493 1.00 0.00 C ATOM 834 CG LEU A 56 2.691 -6.196 -5.701 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.038 -6.002 -6.380 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.733 -5.678 -4.271 1.00 0.00 C ATOM 0 H LEU A 56 0.844 -4.487 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 56 1.673 -7.004 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.999 -4.588 -6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.806 -5.188 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 56 2.472 -7.263 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.813 -6.507 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.003 -6.422 -7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.265 -4.938 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.526 -6.187 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.928 -4.606 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.776 -5.870 -3.786 1.00 0.00 H new ATOM 848 N LEU A 57 -1.376 -6.494 -6.901 1.00 0.00 N ATOM 849 CA LEU A 57 -2.562 -7.162 -6.376 1.00 0.00 C ATOM 850 C LEU A 57 -3.386 -7.774 -7.504 1.00 0.00 C ATOM 851 O LEU A 57 -3.672 -7.118 -8.506 1.00 0.00 O ATOM 852 CB LEU A 57 -3.418 -6.175 -5.582 1.00 0.00 C ATOM 853 CG LEU A 57 -4.547 -6.784 -4.749 1.00 0.00 C ATOM 854 CD1 LEU A 57 -3.980 -7.587 -3.588 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.482 -5.696 -4.240 1.00 0.00 C ATOM 0 H LEU A 57 -1.516 -5.512 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.234 -7.963 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.764 -5.613 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.853 -5.460 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.119 -7.458 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.798 -8.013 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.352 -8.390 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.383 -6.934 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.279 -6.148 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.922 -4.997 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.915 -5.163 -5.087 1.00 0.00 H new ATOM 867 N LYS A 58 -3.767 -9.036 -7.334 1.00 0.00 N ATOM 868 CA LYS A 58 -4.562 -9.737 -8.335 1.00 0.00 C ATOM 869 C LYS A 58 -5.917 -10.144 -7.767 1.00 0.00 C ATOM 870 O LYS A 58 -6.828 -10.507 -8.510 1.00 0.00 O ATOM 871 CB LYS A 58 -3.814 -10.976 -8.834 1.00 0.00 C ATOM 872 CG LYS A 58 -2.654 -10.653 -9.761 1.00 0.00 C ATOM 873 CD LYS A 58 -3.142 -10.212 -11.131 1.00 0.00 C ATOM 874 CE LYS A 58 -1.995 -9.713 -11.997 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.399 -9.565 -13.422 1.00 0.00 N ATOM 0 H LYS A 58 -3.538 -9.594 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.728 -9.058 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.438 -11.534 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.515 -11.628 -9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.043 -9.865 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.016 -11.530 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.638 -11.046 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.884 -9.422 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.645 -8.753 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.158 -10.408 -11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.590 -9.223 -13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.710 -10.486 -13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.180 -8.882 -13.492 1.00 0.00 H new ATOM 889 N GLU A 59 -6.043 -10.079 -6.445 1.00 0.00 N ATOM 890 CA GLU A 59 -7.289 -10.440 -5.778 1.00 0.00 C ATOM 891 C GLU A 59 -8.129 -9.200 -5.485 1.00 0.00 C ATOM 892 O GLU A 59 -7.760 -8.086 -5.856 1.00 0.00 O ATOM 893 CB GLU A 59 -6.998 -11.192 -4.478 1.00 0.00 C ATOM 894 CG GLU A 59 -6.871 -12.695 -4.659 1.00 0.00 C ATOM 895 CD GLU A 59 -8.031 -13.289 -5.435 1.00 0.00 C ATOM 896 OE1 GLU A 59 -9.179 -12.851 -5.213 1.00 0.00 O ATOM 897 OE2 GLU A 59 -7.790 -14.191 -6.264 1.00 0.00 O ATOM 0 H GLU A 59 -5.298 -9.780 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.854 -11.090 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.075 -10.808 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.795 -10.987 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.939 -12.917 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.811 -13.171 -3.680 1.00 0.00 H new ATOM 904 N ARG A 60 -9.259 -9.403 -4.817 1.00 0.00 N ATOM 905 CA ARG A 60 -10.153 -8.303 -4.475 1.00 0.00 C ATOM 906 C ARG A 60 -9.447 -7.287 -3.582 1.00 0.00 C ATOM 907 O ARG A 60 -9.013 -7.595 -2.471 1.00 0.00 O ATOM 908 CB ARG A 60 -11.404 -8.833 -3.772 1.00 0.00 C ATOM 909 CG ARG A 60 -12.507 -9.254 -4.728 1.00 0.00 C ATOM 910 CD ARG A 60 -13.445 -8.099 -5.041 1.00 0.00 C ATOM 911 NE ARG A 60 -14.132 -8.281 -6.317 1.00 0.00 N ATOM 912 CZ ARG A 60 -13.612 -7.933 -7.488 1.00 0.00 C ATOM 913 NH1 ARG A 60 -12.405 -7.387 -7.545 1.00 0.00 N ATOM 914 NH2 ARG A 60 -14.299 -8.131 -8.606 1.00 0.00 N ATOM 0 H ARG A 60 -9.578 -10.319 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.447 -7.807 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.128 -9.685 -3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.789 -8.063 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.066 -9.626 -5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.074 -10.076 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.182 -8.004 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.878 -7.168 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.063 -8.698 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.874 -7.233 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.008 -7.121 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.228 -8.551 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.898 -7.863 -9.505 1.00 0.00 H new ATOM 928 N PRO A 61 -9.327 -6.046 -4.076 1.00 0.00 N ATOM 929 CA PRO A 61 -8.675 -4.959 -3.340 1.00 0.00 C ATOM 930 C PRO A 61 -9.489 -4.506 -2.133 1.00 0.00 C ATOM 931 O PRO A 61 -8.959 -4.370 -1.031 1.00 0.00 O ATOM 932 CB PRO A 61 -8.581 -3.835 -4.375 1.00 0.00 C ATOM 933 CG PRO A 61 -9.686 -4.111 -5.334 1.00 0.00 C ATOM 934 CD PRO A 61 -9.821 -5.607 -5.392 1.00 0.00 C ATOM 0 HA PRO A 61 -7.711 -5.264 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.697 -2.857 -3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.613 -3.837 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.615 -3.648 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.460 -3.701 -6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.855 -5.911 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.232 -6.032 -6.205 1.00 0.00 H new ATOM 942 N GLU A 62 -10.780 -4.274 -2.350 1.00 0.00 N ATOM 943 CA GLU A 62 -11.667 -3.835 -1.279 1.00 0.00 C ATOM 944 C GLU A 62 -11.321 -4.531 0.034 1.00 0.00 C ATOM 945 O GLU A 62 -11.540 -3.986 1.116 1.00 0.00 O ATOM 946 CB GLU A 62 -13.126 -4.114 -1.647 1.00 0.00 C ATOM 947 CG GLU A 62 -13.412 -3.992 -3.135 1.00 0.00 C ATOM 948 CD GLU A 62 -14.838 -3.565 -3.421 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.503 -3.057 -2.494 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.291 -3.740 -4.572 1.00 0.00 O ATOM 0 H GLU A 62 -11.234 -4.383 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.532 -2.761 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.390 -5.118 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.768 -3.420 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.725 -3.269 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.220 -4.950 -3.618 1.00 0.00 H new ATOM 957 N LEU A 63 -10.779 -5.740 -0.069 1.00 0.00 N ATOM 958 CA LEU A 63 -10.402 -6.512 1.109 1.00 0.00 C ATOM 959 C LEU A 63 -9.142 -5.943 1.754 1.00 0.00 C ATOM 960 O LEU A 63 -9.137 -5.603 2.937 1.00 0.00 O ATOM 961 CB LEU A 63 -10.178 -7.978 0.732 1.00 0.00 C ATOM 962 CG LEU A 63 -11.435 -8.838 0.604 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.540 -8.066 -0.100 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.126 -10.128 -0.140 1.00 0.00 C ATOM 0 H LEU A 63 -10.591 -6.206 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.217 -6.449 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.642 -8.010 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.528 -8.430 1.481 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.780 -9.094 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.427 -8.694 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.781 -7.171 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.205 -7.779 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.033 -10.727 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.756 -9.893 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.368 -10.690 0.405 1.00 0.00 H new ATOM 976 N PHE A 64 -8.076 -5.839 0.967 1.00 0.00 N ATOM 977 CA PHE A 64 -6.810 -5.309 1.460 1.00 0.00 C ATOM 978 C PHE A 64 -6.923 -3.816 1.752 1.00 0.00 C ATOM 979 O PHE A 64 -6.818 -3.388 2.902 1.00 0.00 O ATOM 980 CB PHE A 64 -5.697 -5.559 0.441 1.00 0.00 C ATOM 981 CG PHE A 64 -4.331 -5.188 0.943 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.808 -5.789 2.077 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.568 -4.240 0.280 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.552 -5.449 2.542 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.311 -3.896 0.740 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.801 -4.502 1.871 1.00 0.00 C ATOM 0 H PHE A 64 -8.064 -6.115 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.565 -5.825 2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.699 -6.613 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.910 -4.990 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.389 -6.532 2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.960 -3.764 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.157 -5.923 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.728 -3.154 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.818 -4.237 2.231 1.00 0.00 H new ATOM 996 N ILE A 65 -7.136 -3.028 0.704 1.00 0.00 N ATOM 997 CA ILE A 65 -7.263 -1.584 0.847 1.00 0.00 C ATOM 998 C ILE A 65 -8.544 -1.077 0.193 1.00 0.00 C ATOM 999 O ILE A 65 -9.046 -1.677 -0.757 1.00 0.00 O ATOM 1000 CB ILE A 65 -6.059 -0.848 0.230 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.779 -1.190 0.995 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.299 0.654 0.231 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.514 -0.882 0.224 1.00 0.00 C ATOM 0 H ILE A 65 -7.224 -3.366 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.296 -1.375 1.916 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.941 -1.176 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.767 -0.636 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.790 -2.250 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.439 1.160 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.191 0.880 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.439 0.999 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.646 -1.149 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.503 -1.457 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.480 0.182 -0.009 1.00 0.00 H new ATOM 1015 N GLN A 66 -9.066 0.033 0.707 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.288 0.621 0.171 1.00 0.00 C ATOM 1017 C GLN A 66 -10.024 2.020 -0.377 1.00 0.00 C ATOM 1018 O GLN A 66 -9.996 2.995 0.372 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.368 0.679 1.253 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.784 0.650 0.701 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.166 -0.708 0.146 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -12.761 -1.744 0.674 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.951 -0.711 -0.925 1.00 0.00 N ATOM 0 H GLN A 66 -8.662 0.542 1.493 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.637 -0.010 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.235 -0.162 1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.234 1.588 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.483 0.926 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.879 1.399 -0.085 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.264 0.171 -1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.241 -1.595 -1.342 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.830 2.109 -1.689 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.570 3.393 -2.314 1.00 0.00 C ATOM 1034 C GLY A 67 -8.091 3.640 -2.538 1.00 0.00 C ATOM 1035 O GLY A 67 -7.273 2.733 -2.387 1.00 0.00 O ATOM 0 H GLY A 67 -9.848 1.316 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.092 3.441 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.977 4.187 -1.688 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.747 4.871 -2.901 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.357 5.235 -3.148 1.00 0.00 C ATOM 1041 C ASP A 68 -5.537 5.148 -1.864 1.00 0.00 C ATOM 1042 O ASP A 68 -4.337 4.874 -1.899 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.272 6.648 -3.727 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.152 6.827 -4.948 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.142 5.935 -5.823 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -7.851 7.858 -5.029 1.00 0.00 O ATOM 0 H ASP A 68 -8.412 5.634 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.945 4.530 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.564 7.369 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.238 6.867 -3.993 1.00 0.00 H new ATOM 1051 N SER A 69 -6.192 5.384 -0.732 1.00 0.00 N ATOM 1052 CA SER A 69 -5.523 5.337 0.563 1.00 0.00 C ATOM 1053 C SER A 69 -5.669 3.958 1.200 1.00 0.00 C ATOM 1054 O SER A 69 -6.622 3.230 0.922 1.00 0.00 O ATOM 1055 CB SER A 69 -6.095 6.406 1.496 1.00 0.00 C ATOM 1056 OG SER A 69 -5.365 6.469 2.708 1.00 0.00 O ATOM 0 H SER A 69 -7.186 5.610 -0.685 1.00 0.00 H new ATOM 0 HA SER A 69 -4.463 5.534 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.069 7.377 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.141 6.185 1.709 1.00 0.00 H new ATOM 0 HG SER A 69 -5.749 7.161 3.286 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.716 3.606 2.057 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.738 2.316 2.736 1.00 0.00 C ATOM 1064 C VAL A 70 -5.816 2.279 3.813 1.00 0.00 C ATOM 1065 O VAL A 70 -6.089 3.286 4.467 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.375 1.997 3.379 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.269 2.042 2.336 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.085 2.962 4.518 1.00 0.00 C ATOM 0 H VAL A 70 -3.919 4.196 2.297 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.960 1.564 1.979 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.413 0.988 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.314 1.814 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.473 1.307 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.227 3.037 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.118 2.722 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.065 3.982 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.863 2.874 5.276 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.426 1.112 3.993 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.476 0.944 4.991 1.00 0.00 C ATOM 1080 C ARG A 71 -7.017 1.455 6.353 1.00 0.00 C ATOM 1081 O ARG A 71 -5.826 1.631 6.609 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.878 -0.528 5.095 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.024 -0.913 4.174 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.395 -2.380 4.329 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.067 -2.643 5.599 1.00 0.00 N ATOM 1086 CZ ARG A 71 -10.787 -3.733 5.838 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -10.928 -4.657 4.897 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -11.368 -3.901 7.019 1.00 0.00 N ATOM 0 H ARG A 71 -6.211 0.269 3.461 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.341 1.528 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.013 -1.149 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.161 -0.747 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.893 -0.292 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.743 -0.715 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.045 -2.679 3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.495 -2.991 4.262 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.978 -1.951 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.483 -4.531 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.481 -5.494 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.262 -3.192 7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.921 -4.739 7.201 1.00 0.00 H new ATOM 1102 N PRO A 72 -7.985 1.701 7.249 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.705 2.195 8.601 1.00 0.00 C ATOM 1104 C PRO A 72 -7.027 1.145 9.474 1.00 0.00 C ATOM 1105 O PRO A 72 -6.755 1.382 10.650 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.093 2.532 9.150 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.026 1.658 8.384 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.426 1.514 7.013 1.00 0.00 C ATOM 0 HA PRO A 72 -7.018 3.041 8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.154 2.334 10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.330 3.586 9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.135 0.687 8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.020 2.101 8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.639 0.536 6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.820 2.259 6.322 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.757 -0.019 8.890 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.113 -1.088 9.630 1.00 0.00 C ATOM 1118 C GLY A 73 -4.744 -1.432 9.078 1.00 0.00 C ATOM 1119 O GLY A 73 -3.880 -1.925 9.805 1.00 0.00 O ATOM 0 H GLY A 73 -6.973 -0.240 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.017 -0.795 10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.745 -1.976 9.604 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.545 -1.175 7.789 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.272 -1.462 7.141 1.00 0.00 C ATOM 1125 C ILE A 74 -2.216 -0.430 7.523 1.00 0.00 C ATOM 1126 O ILE A 74 -2.275 0.723 7.094 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.414 -1.490 5.608 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.577 -2.397 5.199 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.118 -1.960 4.964 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.279 -3.871 5.359 1.00 0.00 C ATOM 0 H ILE A 74 -5.250 -0.769 7.173 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.957 -2.447 7.487 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.625 -0.479 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.452 -2.144 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.834 -2.197 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.235 -1.974 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.310 -1.279 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.880 -2.963 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.147 -4.453 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.424 -4.139 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.051 -4.085 6.403 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.249 -0.852 8.331 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.178 0.035 8.770 1.00 0.00 C ATOM 1144 C LEU A 75 0.996 -0.005 7.797 1.00 0.00 C ATOM 1145 O LEU A 75 1.659 -1.032 7.650 1.00 0.00 O ATOM 1146 CB LEU A 75 0.293 -0.356 10.172 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.669 -0.038 11.316 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.316 -0.851 12.552 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.650 1.451 11.631 1.00 0.00 C ATOM 0 H LEU A 75 -1.185 -1.803 8.695 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.570 1.052 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.494 -1.427 10.180 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.239 0.148 10.369 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.677 -0.310 11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.012 -0.611 13.356 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.382 -1.914 12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.699 -0.611 12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.341 1.659 12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.357 1.748 11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.953 2.014 10.748 1.00 0.00 H new ATOM 1161 N VAL A 76 1.249 1.119 7.135 1.00 0.00 N ATOM 1162 CA VAL A 76 2.345 1.213 6.178 1.00 0.00 C ATOM 1163 C VAL A 76 3.564 1.883 6.802 1.00 0.00 C ATOM 1164 O VAL A 76 3.441 2.667 7.745 1.00 0.00 O ATOM 1165 CB VAL A 76 1.927 2.001 4.922 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.622 1.458 4.361 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.806 3.483 5.239 1.00 0.00 C ATOM 0 H VAL A 76 0.710 1.978 7.244 1.00 0.00 H new ATOM 0 HA VAL A 76 2.602 0.194 5.890 1.00 0.00 H new ATOM 0 HB VAL A 76 2.699 1.878 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.343 2.027 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.749 0.409 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.163 1.548 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.510 4.024 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.054 3.629 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.767 3.860 5.589 1.00 0.00 H new ATOM 1177 N LEU A 77 4.741 1.570 6.272 1.00 0.00 N ATOM 1178 CA LEU A 77 5.984 2.142 6.777 1.00 0.00 C ATOM 1179 C LEU A 77 6.971 2.389 5.640 1.00 0.00 C ATOM 1180 O LEU A 77 7.361 1.461 4.931 1.00 0.00 O ATOM 1181 CB LEU A 77 6.610 1.213 7.818 1.00 0.00 C ATOM 1182 CG LEU A 77 6.096 1.367 9.250 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.177 0.041 9.991 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.882 2.441 9.987 1.00 0.00 C ATOM 0 H LEU A 77 4.861 0.923 5.493 1.00 0.00 H new ATOM 0 HA LEU A 77 5.751 3.098 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.445 0.183 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.688 1.376 7.820 1.00 0.00 H new ATOM 0 HG LEU A 77 5.051 1.674 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.807 0.169 11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.569 -0.702 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.213 -0.296 10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.502 2.536 11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.936 2.164 10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.772 3.393 9.468 1.00 0.00 H new ATOM 1196 N ILE A 78 7.372 3.645 5.474 1.00 0.00 N ATOM 1197 CA ILE A 78 8.316 4.013 4.426 1.00 0.00 C ATOM 1198 C ILE A 78 9.727 4.162 4.985 1.00 0.00 C ATOM 1199 O ILE A 78 9.979 5.004 5.845 1.00 0.00 O ATOM 1200 CB ILE A 78 7.907 5.328 3.736 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.495 5.209 3.159 1.00 0.00 C ATOM 1202 CG2 ILE A 78 8.904 5.684 2.643 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.745 6.522 3.121 1.00 0.00 C ATOM 0 H ILE A 78 7.058 4.425 6.052 1.00 0.00 H new ATOM 0 HA ILE A 78 8.302 3.208 3.692 1.00 0.00 H new ATOM 0 HB ILE A 78 7.909 6.127 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.557 4.806 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.928 4.493 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.602 6.616 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.895 5.805 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.930 4.886 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.752 6.362 2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.651 6.917 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.290 7.235 2.503 1.00 0.00 H new ATOM 1215 N ASN A 79 10.644 3.339 4.487 1.00 0.00 N ATOM 1216 CA ASN A 79 12.032 3.380 4.936 1.00 0.00 C ATOM 1217 C ASN A 79 12.114 3.289 6.457 1.00 0.00 C ATOM 1218 O ASN A 79 12.929 3.965 7.085 1.00 0.00 O ATOM 1219 CB ASN A 79 12.708 4.664 4.453 1.00 0.00 C ATOM 1220 CG ASN A 79 12.921 4.676 2.951 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.348 3.863 2.225 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.749 5.600 2.478 1.00 0.00 N ATOM 0 H ASN A 79 10.452 2.636 3.773 1.00 0.00 H new ATOM 0 HA ASN A 79 12.552 2.522 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.098 5.522 4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.669 4.776 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.932 5.656 1.476 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.202 6.254 3.117 1.00 0.00 H new ATOM 1229 N ASP A 80 11.267 2.450 7.041 1.00 0.00 N ATOM 1230 CA ASP A 80 11.245 2.269 8.488 1.00 0.00 C ATOM 1231 C ASP A 80 10.801 3.549 9.189 1.00 0.00 C ATOM 1232 O ASP A 80 11.382 3.950 10.196 1.00 0.00 O ATOM 1233 CB ASP A 80 12.627 1.850 8.992 1.00 0.00 C ATOM 1234 CG ASP A 80 13.141 0.602 8.301 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.995 0.505 7.065 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.691 -0.277 8.998 1.00 0.00 O ATOM 0 H ASP A 80 10.586 1.884 6.535 1.00 0.00 H new ATOM 0 HA ASP A 80 10.528 1.481 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.332 2.666 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.581 1.674 10.067 1.00 0.00 H new ATOM 1241 N ALA A 81 9.767 4.185 8.648 1.00 0.00 N ATOM 1242 CA ALA A 81 9.244 5.419 9.221 1.00 0.00 C ATOM 1243 C ALA A 81 7.780 5.621 8.846 1.00 0.00 C ATOM 1244 O ALA A 81 7.452 5.839 7.680 1.00 0.00 O ATOM 1245 CB ALA A 81 10.077 6.607 8.766 1.00 0.00 C ATOM 0 H ALA A 81 9.275 3.866 7.813 1.00 0.00 H new ATOM 0 HA ALA A 81 9.306 5.341 10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.675 7.522 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.109 6.474 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.045 6.679 7.679 1.00 0.00 H new ATOM 1251 N ASP A 82 6.903 5.547 9.842 1.00 0.00 N ATOM 1252 CA ASP A 82 5.473 5.723 9.616 1.00 0.00 C ATOM 1253 C ASP A 82 5.219 6.753 8.520 1.00 0.00 C ATOM 1254 O ASP A 82 5.752 7.862 8.560 1.00 0.00 O ATOM 1255 CB ASP A 82 4.780 6.155 10.909 1.00 0.00 C ATOM 1256 CG ASP A 82 4.989 5.163 12.037 1.00 0.00 C ATOM 1257 OD1 ASP A 82 4.239 4.167 12.097 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.903 5.384 12.860 1.00 0.00 O ATOM 0 H ASP A 82 7.157 5.366 10.813 1.00 0.00 H new ATOM 0 HA ASP A 82 5.061 4.767 9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.159 7.131 11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.712 6.271 10.724 1.00 0.00 H new ATOM 1263 N TRP A 83 4.402 6.378 7.542 1.00 0.00 N ATOM 1264 CA TRP A 83 4.078 7.270 6.434 1.00 0.00 C ATOM 1265 C TRP A 83 3.290 8.481 6.921 1.00 0.00 C ATOM 1266 O TRP A 83 3.093 9.442 6.180 1.00 0.00 O ATOM 1267 CB TRP A 83 3.277 6.521 5.367 1.00 0.00 C ATOM 1268 CG TRP A 83 1.863 6.237 5.776 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.419 5.928 7.030 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.710 6.236 4.928 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.059 5.734 7.013 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.400 5.918 5.735 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.506 6.474 3.567 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.692 5.831 5.224 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.777 6.387 3.060 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.863 6.069 3.887 1.00 0.00 C ATOM 0 H TRP A 83 3.952 5.464 7.494 1.00 0.00 H new ATOM 0 HA TRP A 83 5.013 7.621 5.998 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.271 7.108 4.449 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.778 5.580 5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.045 5.848 7.906 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.516 5.492 7.820 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.336 6.722 2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.529 5.585 5.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.946 6.567 2.009 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.854 6.011 3.461 1.00 0.00 H new ATOM 1287 N GLU A 84 2.844 8.427 8.172 1.00 0.00 N ATOM 1288 CA GLU A 84 2.078 9.520 8.757 1.00 0.00 C ATOM 1289 C GLU A 84 2.970 10.730 9.022 1.00 0.00 C ATOM 1290 O GLU A 84 2.585 11.870 8.759 1.00 0.00 O ATOM 1291 CB GLU A 84 1.413 9.068 10.059 1.00 0.00 C ATOM 1292 CG GLU A 84 0.550 7.827 9.903 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.361 7.597 11.094 1.00 0.00 C ATOM 1294 OE1 GLU A 84 0.130 7.097 12.127 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.563 7.917 10.991 1.00 0.00 O ATOM 0 H GLU A 84 3.000 7.638 8.799 1.00 0.00 H new ATOM 0 HA GLU A 84 1.305 9.809 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.185 8.872 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.798 9.881 10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.054 7.920 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.192 6.957 9.768 1.00 0.00 H new ATOM 1302 N LEU A 85 4.164 10.473 9.545 1.00 0.00 N ATOM 1303 CA LEU A 85 5.113 11.539 9.846 1.00 0.00 C ATOM 1304 C LEU A 85 5.719 12.107 8.567 1.00 0.00 C ATOM 1305 O LEU A 85 6.139 13.264 8.526 1.00 0.00 O ATOM 1306 CB LEU A 85 6.221 11.019 10.762 1.00 0.00 C ATOM 1307 CG LEU A 85 5.825 10.761 12.216 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.792 11.778 12.676 1.00 0.00 C ATOM 1309 CD2 LEU A 85 5.292 9.345 12.381 1.00 0.00 C ATOM 0 H LEU A 85 4.498 9.536 9.769 1.00 0.00 H new ATOM 0 HA LEU A 85 4.574 12.338 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.606 10.090 10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.040 11.738 10.752 1.00 0.00 H new ATOM 0 HG LEU A 85 6.713 10.868 12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.522 11.579 13.713 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.209 12.782 12.596 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.903 11.703 12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.015 9.179 13.422 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.416 9.210 11.747 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.063 8.630 12.092 1.00 0.00 H new ATOM 1321 N LEU A 86 5.759 11.286 7.523 1.00 0.00 N ATOM 1322 CA LEU A 86 6.312 11.706 6.240 1.00 0.00 C ATOM 1323 C LEU A 86 5.234 12.332 5.361 1.00 0.00 C ATOM 1324 O LEU A 86 5.292 13.517 5.038 1.00 0.00 O ATOM 1325 CB LEU A 86 6.945 10.514 5.520 1.00 0.00 C ATOM 1326 CG LEU A 86 7.688 9.513 6.405 1.00 0.00 C ATOM 1327 CD1 LEU A 86 7.912 8.206 5.660 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.013 10.095 6.874 1.00 0.00 C ATOM 0 H LEU A 86 5.415 10.326 7.540 1.00 0.00 H new ATOM 0 HA LEU A 86 7.079 12.456 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.160 9.981 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.641 10.894 4.773 1.00 0.00 H new ATOM 0 HG LEU A 86 7.074 9.308 7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.442 7.506 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.950 7.780 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.505 8.394 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.527 9.368 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.633 10.330 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.829 11.004 7.447 1.00 0.00 H new ATOM 1340 N GLY A 87 4.248 11.526 4.979 1.00 0.00 N ATOM 1341 CA GLY A 87 3.169 12.018 4.142 1.00 0.00 C ATOM 1342 C GLY A 87 2.251 10.909 3.667 1.00 0.00 C ATOM 1343 O GLY A 87 2.480 10.315 2.614 1.00 0.00 O ATOM 0 H GLY A 87 4.177 10.541 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.588 12.753 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.589 12.532 3.278 1.00 0.00 H new ATOM 1347 N GLU A 88 1.211 10.629 4.446 1.00 0.00 N ATOM 1348 CA GLU A 88 0.258 9.582 4.099 1.00 0.00 C ATOM 1349 C GLU A 88 0.070 9.496 2.587 1.00 0.00 C ATOM 1350 O GLU A 88 0.347 8.464 1.974 1.00 0.00 O ATOM 1351 CB GLU A 88 -1.089 9.843 4.777 1.00 0.00 C ATOM 1352 CG GLU A 88 -1.040 9.735 6.292 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.417 9.612 6.913 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.250 10.516 6.695 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.662 8.610 7.618 1.00 0.00 O ATOM 0 H GLU A 88 1.007 11.112 5.321 1.00 0.00 H new ATOM 0 HA GLU A 88 0.657 8.631 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.437 10.839 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.822 9.133 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.441 8.868 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.539 10.613 6.699 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.402 10.586 1.993 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.627 10.635 0.552 1.00 0.00 C ATOM 1364 C LEU A 89 0.145 11.789 -0.081 1.00 0.00 C ATOM 1365 O LEU A 89 0.268 11.870 -1.303 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.120 10.781 0.254 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.018 9.648 0.753 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.484 10.031 0.620 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.729 8.364 -0.011 1.00 0.00 C ATOM 0 H LEU A 89 -0.636 11.448 2.486 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.266 9.701 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.468 11.715 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.248 10.871 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.803 9.477 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.108 9.213 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.682 10.925 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.715 10.230 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.377 7.568 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.916 8.523 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.687 8.080 0.135 1.00 0.00 H new ATOM 1381 N ASP A 90 0.663 12.678 0.759 1.00 0.00 N ATOM 1382 CA ASP A 90 1.426 13.826 0.282 1.00 0.00 C ATOM 1383 C ASP A 90 2.852 13.419 -0.077 1.00 0.00 C ATOM 1384 O ASP A 90 3.520 14.090 -0.864 1.00 0.00 O ATOM 1385 CB ASP A 90 1.449 14.927 1.344 1.00 0.00 C ATOM 1386 CG ASP A 90 1.665 16.303 0.746 1.00 0.00 C ATOM 1387 OD1 ASP A 90 2.194 16.384 -0.382 1.00 0.00 O ATOM 1388 OD2 ASP A 90 1.303 17.299 1.406 1.00 0.00 O ATOM 0 H ASP A 90 0.569 12.626 1.773 1.00 0.00 H new ATOM 0 HA ASP A 90 0.939 14.208 -0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.508 14.917 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.241 14.718 2.063 1.00 0.00 H new ATOM 1393 N TYR A 91 3.312 12.317 0.505 1.00 0.00 N ATOM 1394 CA TYR A 91 4.660 11.823 0.249 1.00 0.00 C ATOM 1395 C TYR A 91 4.809 11.377 -1.202 1.00 0.00 C ATOM 1396 O TYR A 91 3.896 10.787 -1.778 1.00 0.00 O ATOM 1397 CB TYR A 91 4.987 10.662 1.189 1.00 0.00 C ATOM 1398 CG TYR A 91 6.459 10.323 1.244 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.047 9.532 0.265 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.262 10.794 2.275 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.392 9.219 0.311 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.609 10.489 2.328 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.169 9.701 1.344 1.00 0.00 C ATOM 1404 OH TYR A 91 10.509 9.392 1.395 1.00 0.00 O ATOM 0 H TYR A 91 2.771 11.749 1.157 1.00 0.00 H new ATOM 0 HA TYR A 91 5.360 12.638 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.642 10.910 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.431 9.780 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.442 9.155 -0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.826 11.409 3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.832 8.601 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.220 10.866 3.135 1.00 0.00 H new ATOM 0 HH TYR A 91 10.911 9.811 2.184 1.00 0.00 H new ATOM 1414 N GLN A 92 5.969 11.661 -1.785 1.00 0.00 N ATOM 1415 CA GLN A 92 6.240 11.289 -3.169 1.00 0.00 C ATOM 1416 C GLN A 92 7.495 10.427 -3.265 1.00 0.00 C ATOM 1417 O GLN A 92 8.615 10.929 -3.159 1.00 0.00 O ATOM 1418 CB GLN A 92 6.398 12.540 -4.034 1.00 0.00 C ATOM 1419 CG GLN A 92 5.208 13.483 -3.964 1.00 0.00 C ATOM 1420 CD GLN A 92 5.420 14.752 -4.765 1.00 0.00 C ATOM 1421 OE1 GLN A 92 6.555 15.163 -5.010 1.00 0.00 O ATOM 1422 NE2 GLN A 92 4.327 15.382 -5.179 1.00 0.00 N ATOM 0 H GLN A 92 6.736 12.147 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 92 5.394 10.708 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.294 13.076 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.551 12.238 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.320 12.969 -4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.016 13.743 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.406 15.007 -4.954 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.409 16.241 -5.722 1.00 0.00 H new ATOM 1431 N LEU A 93 7.300 9.129 -3.467 1.00 0.00 N ATOM 1432 CA LEU A 93 8.417 8.197 -3.578 1.00 0.00 C ATOM 1433 C LEU A 93 9.365 8.613 -4.698 1.00 0.00 C ATOM 1434 O LEU A 93 8.929 8.994 -5.784 1.00 0.00 O ATOM 1435 CB LEU A 93 7.900 6.780 -3.833 1.00 0.00 C ATOM 1436 CG LEU A 93 7.015 6.181 -2.739 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.740 4.712 -3.019 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.665 6.353 -1.374 1.00 0.00 C ATOM 0 H LEU A 93 6.380 8.698 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 93 8.967 8.214 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.337 6.783 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.757 6.123 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 93 6.064 6.713 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.109 4.303 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.232 4.613 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.682 4.165 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.021 5.921 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.631 5.847 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.809 7.414 -1.171 1.00 0.00 H new ATOM 1450 N GLN A 94 10.664 8.536 -4.426 1.00 0.00 N ATOM 1451 CA GLN A 94 11.674 8.904 -5.411 1.00 0.00 C ATOM 1452 C GLN A 94 12.266 7.664 -6.073 1.00 0.00 C ATOM 1453 O GLN A 94 12.017 7.397 -7.249 1.00 0.00 O ATOM 1454 CB GLN A 94 12.784 9.725 -4.753 1.00 0.00 C ATOM 1455 CG GLN A 94 12.294 11.023 -4.131 1.00 0.00 C ATOM 1456 CD GLN A 94 12.125 12.131 -5.151 1.00 0.00 C ATOM 1457 OE1 GLN A 94 11.288 12.040 -6.051 1.00 0.00 O ATOM 1458 NE2 GLN A 94 12.919 13.186 -5.017 1.00 0.00 N ATOM 0 H GLN A 94 11.041 8.222 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 94 11.192 9.509 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.263 9.121 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.546 9.954 -5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.341 10.845 -3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.000 11.344 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.598 13.220 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.850 13.963 -5.674 1.00 0.00 H new ATOM 1467 N ASP A 95 13.050 6.910 -5.310 1.00 0.00 N ATOM 1468 CA ASP A 95 13.677 5.697 -5.822 1.00 0.00 C ATOM 1469 C ASP A 95 14.324 4.902 -4.693 1.00 0.00 C ATOM 1470 O ASP A 95 14.364 5.352 -3.548 1.00 0.00 O ATOM 1471 CB ASP A 95 14.724 6.047 -6.881 1.00 0.00 C ATOM 1472 CG ASP A 95 15.954 6.703 -6.285 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.797 7.527 -5.360 1.00 0.00 O ATOM 1474 OD2 ASP A 95 17.074 6.393 -6.744 1.00 0.00 O ATOM 0 H ASP A 95 13.266 7.117 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 95 12.902 5.081 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.019 5.140 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.281 6.716 -7.619 1.00 0.00 H new ATOM 1479 N GLN A 96 14.828 3.717 -5.024 1.00 0.00 N ATOM 1480 CA GLN A 96 15.471 2.859 -4.036 1.00 0.00 C ATOM 1481 C GLN A 96 14.777 2.970 -2.683 1.00 0.00 C ATOM 1482 O GLN A 96 15.409 2.827 -1.636 1.00 0.00 O ATOM 1483 CB GLN A 96 16.950 3.225 -3.896 1.00 0.00 C ATOM 1484 CG GLN A 96 17.761 2.975 -5.157 1.00 0.00 C ATOM 1485 CD GLN A 96 17.862 1.503 -5.504 1.00 0.00 C ATOM 1486 OE1 GLN A 96 18.630 0.760 -4.891 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.085 1.071 -6.490 1.00 0.00 N ATOM 0 H GLN A 96 14.803 3.330 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 96 15.390 1.828 -4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.031 4.278 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.382 2.650 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.305 3.510 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.763 3.383 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.463 1.721 -6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.110 0.089 -6.766 1.00 0.00 H new ATOM 1496 N ASP A 97 13.474 3.228 -2.712 1.00 0.00 N ATOM 1497 CA ASP A 97 12.694 3.358 -1.487 1.00 0.00 C ATOM 1498 C ASP A 97 11.949 2.064 -1.177 1.00 0.00 C ATOM 1499 O ASP A 97 11.342 1.458 -2.060 1.00 0.00 O ATOM 1500 CB ASP A 97 11.701 4.516 -1.611 1.00 0.00 C ATOM 1501 CG ASP A 97 12.368 5.869 -1.465 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.034 6.094 -0.433 1.00 0.00 O ATOM 1503 OD2 ASP A 97 12.225 6.704 -2.383 1.00 0.00 O ATOM 0 H ASP A 97 12.936 3.351 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 97 13.382 3.565 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.204 4.462 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.928 4.411 -0.849 1.00 0.00 H new ATOM 1508 N SER A 98 11.999 1.645 0.084 1.00 0.00 N ATOM 1509 CA SER A 98 11.334 0.420 0.510 1.00 0.00 C ATOM 1510 C SER A 98 10.029 0.734 1.234 1.00 0.00 C ATOM 1511 O SER A 98 10.017 1.462 2.228 1.00 0.00 O ATOM 1512 CB SER A 98 12.253 -0.395 1.422 1.00 0.00 C ATOM 1513 OG SER A 98 11.684 -1.657 1.724 1.00 0.00 O ATOM 0 H SER A 98 12.494 2.137 0.828 1.00 0.00 H new ATOM 0 HA SER A 98 11.104 -0.167 -0.379 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.220 -0.535 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.435 0.155 2.345 1.00 0.00 H new ATOM 0 HG SER A 98 11.082 -1.926 0.999 1.00 0.00 H new ATOM 1519 N ILE A 99 8.931 0.181 0.730 1.00 0.00 N ATOM 1520 CA ILE A 99 7.620 0.401 1.329 1.00 0.00 C ATOM 1521 C ILE A 99 7.095 -0.871 1.985 1.00 0.00 C ATOM 1522 O ILE A 99 6.988 -1.916 1.342 1.00 0.00 O ATOM 1523 CB ILE A 99 6.598 0.886 0.284 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.253 1.875 -0.682 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.400 1.523 0.971 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.796 3.113 -0.003 1.00 0.00 C ATOM 0 H ILE A 99 8.923 -0.423 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 99 7.745 1.173 2.088 1.00 0.00 H new ATOM 0 HB ILE A 99 6.250 0.026 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.065 1.373 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.523 2.174 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.687 1.861 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.922 0.791 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.732 2.375 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.246 3.769 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.984 3.638 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.550 2.825 0.729 1.00 0.00 H new ATOM 1538 N LEU A 100 6.768 -0.775 3.269 1.00 0.00 N ATOM 1539 CA LEU A 100 6.251 -1.919 4.014 1.00 0.00 C ATOM 1540 C LEU A 100 4.761 -1.755 4.298 1.00 0.00 C ATOM 1541 O LEU A 100 4.297 -0.662 4.624 1.00 0.00 O ATOM 1542 CB LEU A 100 7.017 -2.085 5.327 1.00 0.00 C ATOM 1543 CG LEU A 100 6.390 -3.027 6.356 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.816 -4.463 6.095 1.00 0.00 C ATOM 1545 CD2 LEU A 100 6.769 -2.603 7.767 1.00 0.00 C ATOM 0 H LEU A 100 6.851 0.082 3.816 1.00 0.00 H new ATOM 0 HA LEU A 100 6.390 -2.812 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.019 -2.446 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.130 -1.102 5.785 1.00 0.00 H new ATOM 0 HG LEU A 100 5.306 -2.969 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.360 -5.118 6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.493 -4.763 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.901 -4.539 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.314 -3.284 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.853 -2.631 7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.412 -1.590 7.951 1.00 0.00 H new ATOM 1557 N PHE A 101 4.017 -2.849 4.175 1.00 0.00 N ATOM 1558 CA PHE A 101 2.580 -2.827 4.420 1.00 0.00 C ATOM 1559 C PHE A 101 2.178 -3.927 5.398 1.00 0.00 C ATOM 1560 O PHE A 101 2.343 -5.114 5.115 1.00 0.00 O ATOM 1561 CB PHE A 101 1.814 -2.994 3.105 1.00 0.00 C ATOM 1562 CG PHE A 101 2.009 -1.852 2.149 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.083 -1.840 1.273 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.119 -0.790 2.127 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.264 -0.789 0.394 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.295 0.263 1.249 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.369 0.262 0.380 1.00 0.00 C ATOM 0 H PHE A 101 4.385 -3.762 3.907 1.00 0.00 H new ATOM 0 HA PHE A 101 2.327 -1.863 4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.132 -3.919 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.751 -3.097 3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.786 -2.660 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.278 -0.785 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.106 -0.790 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.594 1.085 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.508 1.082 -0.309 1.00 0.00 H new ATOM 1577 N ILE A 102 1.651 -3.524 6.549 1.00 0.00 N ATOM 1578 CA ILE A 102 1.226 -4.474 7.568 1.00 0.00 C ATOM 1579 C ILE A 102 -0.295 -4.538 7.660 1.00 0.00 C ATOM 1580 O ILE A 102 -0.963 -3.513 7.796 1.00 0.00 O ATOM 1581 CB ILE A 102 1.797 -4.110 8.951 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.323 -4.229 8.944 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.196 -5.004 10.025 1.00 0.00 C ATOM 1584 CD1 ILE A 102 3.968 -3.804 10.245 1.00 0.00 C ATOM 0 H ILE A 102 1.508 -2.545 6.799 1.00 0.00 H new ATOM 0 HA ILE A 102 1.611 -5.449 7.270 1.00 0.00 H new ATOM 0 HB ILE A 102 1.532 -3.077 9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.598 -5.262 8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.723 -3.620 8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.610 -4.734 10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.114 -4.874 10.043 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.433 -6.045 9.806 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.050 -3.915 10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.723 -2.762 10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.596 -4.429 11.057 1.00 0.00 H new ATOM 1596 N SER A 103 -0.837 -5.750 7.587 1.00 0.00 N ATOM 1597 CA SER A 103 -2.280 -5.948 7.659 1.00 0.00 C ATOM 1598 C SER A 103 -2.666 -6.658 8.953 1.00 0.00 C ATOM 1599 O SER A 103 -2.211 -7.769 9.226 1.00 0.00 O ATOM 1600 CB SER A 103 -2.766 -6.758 6.456 1.00 0.00 C ATOM 1601 OG SER A 103 -4.181 -6.826 6.425 1.00 0.00 O ATOM 0 H SER A 103 -0.298 -6.609 7.478 1.00 0.00 H new ATOM 0 HA SER A 103 -2.758 -4.968 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.400 -6.303 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.351 -7.765 6.500 1.00 0.00 H new ATOM 0 HG SER A 103 -4.466 -7.347 5.646 1.00 0.00 H new ATOM 1607 N THR A 104 -3.509 -6.007 9.749 1.00 0.00 N ATOM 1608 CA THR A 104 -3.957 -6.573 11.015 1.00 0.00 C ATOM 1609 C THR A 104 -5.467 -6.440 11.173 1.00 0.00 C ATOM 1610 O THR A 104 -5.964 -6.144 12.261 1.00 0.00 O ATOM 1611 CB THR A 104 -3.265 -5.892 12.211 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.631 -6.551 13.429 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.645 -4.421 12.290 1.00 0.00 C ATOM 0 H THR A 104 -3.895 -5.087 9.539 1.00 0.00 H new ATOM 0 HA THR A 104 -3.688 -7.629 11.002 1.00 0.00 H new ATOM 0 HB THR A 104 -2.187 -5.965 12.069 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.607 -6.566 13.512 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.144 -3.961 13.142 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.339 -3.916 11.374 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.724 -4.330 12.411 1.00 0.00 H new ATOM 1621 N LEU A 105 -6.193 -6.662 10.083 1.00 0.00 N ATOM 1622 CA LEU A 105 -7.649 -6.568 10.101 1.00 0.00 C ATOM 1623 C LEU A 105 -8.286 -7.928 9.832 1.00 0.00 C ATOM 1624 O LEU A 105 -8.411 -8.350 8.683 1.00 0.00 O ATOM 1625 CB LEU A 105 -8.127 -5.554 9.061 1.00 0.00 C ATOM 1626 CG LEU A 105 -8.261 -4.109 9.544 1.00 0.00 C ATOM 1627 CD1 LEU A 105 -8.472 -3.170 8.366 1.00 0.00 C ATOM 1628 CD2 LEU A 105 -9.404 -3.984 10.540 1.00 0.00 C ATOM 0 H LEU A 105 -5.798 -6.908 9.176 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.955 -6.234 11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.434 -5.572 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.096 -5.881 8.683 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.336 -3.826 10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.565 -2.146 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.621 -3.239 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.382 -3.451 7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.485 -2.949 10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.337 -4.286 10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.211 -4.627 11.398 1.00 0.00 H new ATOM 1640 N HIS A 106 -8.689 -8.608 10.901 1.00 0.00 N ATOM 1641 CA HIS A 106 -9.316 -9.920 10.780 1.00 0.00 C ATOM 1642 C HIS A 106 -10.820 -9.785 10.562 1.00 0.00 C ATOM 1643 O HIS A 106 -11.435 -10.605 9.882 1.00 0.00 O ATOM 1644 CB HIS A 106 -9.044 -10.756 12.031 1.00 0.00 C ATOM 1645 CG HIS A 106 -9.969 -10.450 13.169 1.00 0.00 C ATOM 1646 ND1 HIS A 106 -11.240 -10.974 13.267 1.00 0.00 N ATOM 1647 CD2 HIS A 106 -9.799 -9.670 14.262 1.00 0.00 C ATOM 1648 CE1 HIS A 106 -11.814 -10.529 14.370 1.00 0.00 C ATOM 1649 NE2 HIS A 106 -10.960 -9.736 14.993 1.00 0.00 N ATOM 0 H HIS A 106 -8.593 -8.273 11.860 1.00 0.00 H new ATOM 0 HA HIS A 106 -8.884 -10.423 9.915 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -9.130 -11.813 11.778 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -8.016 -10.588 12.354 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.915 -9.102 14.513 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -12.811 -10.772 14.706 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -11.135 -9.252 15.874 1.00 0.00 H new ATOM 1658 N GLY A 107 -11.407 -8.743 11.145 1.00 0.00 N ATOM 1659 CA GLY A 107 -12.834 -8.521 11.003 1.00 0.00 C ATOM 1660 C GLY A 107 -13.654 -9.420 11.907 1.00 0.00 C ATOM 1661 O GLY A 107 -14.517 -8.948 12.646 1.00 0.00 O ATOM 0 H GLY A 107 -10.920 -8.050 11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.061 -7.479 11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.124 -8.692 9.966 1.00 0.00 H new ATOM 1665 N GLY A 108 -13.385 -10.721 11.847 1.00 0.00 N ATOM 1666 CA GLY A 108 -14.114 -11.667 12.670 1.00 0.00 C ATOM 1667 C GLY A 108 -15.212 -12.378 11.903 1.00 0.00 C ATOM 1668 O GLY A 108 -16.363 -11.941 11.905 1.00 0.00 O ATOM 0 H GLY A 108 -12.675 -11.136 11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.420 -12.405 13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -14.550 -11.143 13.521 1.00 0.00 H new ATOM 1672 N SER A 109 -14.856 -13.475 11.243 1.00 0.00 N ATOM 1673 CA SER A 109 -15.818 -14.245 10.463 1.00 0.00 C ATOM 1674 C SER A 109 -16.385 -15.398 11.285 1.00 0.00 C ATOM 1675 O SER A 109 -15.975 -15.625 12.423 1.00 0.00 O ATOM 1676 CB SER A 109 -15.161 -14.784 9.192 1.00 0.00 C ATOM 1677 OG SER A 109 -15.037 -13.769 8.211 1.00 0.00 O ATOM 0 H SER A 109 -13.908 -13.851 11.233 1.00 0.00 H new ATOM 0 HA SER A 109 -16.638 -13.582 10.186 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.176 -15.186 9.430 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.753 -15.608 8.794 1.00 0.00 H new ATOM 0 HG SER A 109 -14.612 -14.139 7.409 1.00 0.00 H new ATOM 1683 N GLY A 110 -17.332 -16.125 10.699 1.00 0.00 N ATOM 1684 CA GLY A 110 -17.941 -17.246 11.391 1.00 0.00 C ATOM 1685 C GLY A 110 -19.444 -17.297 11.202 1.00 0.00 C ATOM 1686 O GLY A 110 -20.115 -16.268 11.116 1.00 0.00 O ATOM 0 H GLY A 110 -17.688 -15.958 9.758 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -17.501 -18.175 11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -17.714 -17.179 12.455 1.00 0.00 H new ATOM 1690 N PRO A 111 -19.995 -18.517 11.134 1.00 0.00 N ATOM 1691 CA PRO A 111 -21.435 -18.727 10.952 1.00 0.00 C ATOM 1692 C PRO A 111 -22.239 -18.326 12.184 1.00 0.00 C ATOM 1693 O PRO A 111 -21.675 -17.922 13.201 1.00 0.00 O ATOM 1694 CB PRO A 111 -21.546 -20.234 10.709 1.00 0.00 C ATOM 1695 CG PRO A 111 -20.345 -20.815 11.372 1.00 0.00 C ATOM 1696 CD PRO A 111 -19.256 -19.787 11.229 1.00 0.00 C ATOM 0 HA PRO A 111 -21.836 -18.120 10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -22.466 -20.637 11.133 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -21.559 -20.463 9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -20.544 -21.029 12.422 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -20.057 -21.756 10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -18.581 -19.796 12.084 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -18.649 -19.966 10.342 1.00 0.00 H new ATOM 1704 N SER A 112 -23.560 -18.440 12.086 1.00 0.00 N ATOM 1705 CA SER A 112 -24.442 -18.086 13.192 1.00 0.00 C ATOM 1706 C SER A 112 -25.345 -19.258 13.563 1.00 0.00 C ATOM 1707 O SER A 112 -25.784 -20.015 12.698 1.00 0.00 O ATOM 1708 CB SER A 112 -25.292 -16.868 12.824 1.00 0.00 C ATOM 1709 OG SER A 112 -25.674 -16.145 13.981 1.00 0.00 O ATOM 0 H SER A 112 -24.043 -18.775 11.252 1.00 0.00 H new ATOM 0 HA SER A 112 -23.823 -17.840 14.055 1.00 0.00 H new ATOM 0 HB2 SER A 112 -24.730 -16.217 12.154 1.00 0.00 H new ATOM 0 HB3 SER A 112 -26.181 -17.191 12.283 1.00 0.00 H new ATOM 0 HG SER A 112 -26.215 -15.371 13.719 1.00 0.00 H new ATOM 1715 N SER A 113 -25.618 -19.400 14.856 1.00 0.00 N ATOM 1716 CA SER A 113 -26.466 -20.481 15.344 1.00 0.00 C ATOM 1717 C SER A 113 -27.618 -19.933 16.181 1.00 0.00 C ATOM 1718 O SER A 113 -27.660 -18.745 16.497 1.00 0.00 O ATOM 1719 CB SER A 113 -25.643 -21.469 16.173 1.00 0.00 C ATOM 1720 OG SER A 113 -25.416 -20.971 17.481 1.00 0.00 O ATOM 0 H SER A 113 -25.264 -18.780 15.584 1.00 0.00 H new ATOM 0 HA SER A 113 -26.882 -21.000 14.481 1.00 0.00 H new ATOM 0 HB2 SER A 113 -26.165 -22.424 16.229 1.00 0.00 H new ATOM 0 HB3 SER A 113 -24.689 -21.656 15.681 1.00 0.00 H new ATOM 0 HG SER A 113 -24.890 -21.621 17.992 1.00 0.00 H new ATOM 1726 N GLY A 114 -28.553 -20.810 16.535 1.00 0.00 N ATOM 1727 CA GLY A 114 -29.693 -20.396 17.332 1.00 0.00 C ATOM 1728 C GLY A 114 -30.743 -21.483 17.450 1.00 0.00 C ATOM 1729 O GLY A 114 -30.798 -22.196 18.452 1.00 0.00 O ATOM 0 H GLY A 114 -28.541 -21.799 16.284 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -29.353 -20.114 18.328 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -30.142 -19.509 16.885 1.00 0.00 H new TER 1733 GLY A 114