USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 98 THR OG1 : rot -28:sc= 0.534 USER MOD Set 1.2: A 125 THR OG1 : rot -171:sc= 0.906 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.33) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0111) USER MOD Single : A 51 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.831 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -171:sc= -0.632 (180deg=-0.881) USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= -0.543! (180deg=-3.81!) USER MOD Single : A 82 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.12) USER MOD Single : A 83 THR OG1 : rot 97:sc= 0.52 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= -0.0129 (180deg=-0.132) USER MOD Single : A 86 THR OG1 : rot -70:sc= -0.231 USER MOD Single : A 91 TYR OH : rot 178:sc= 0.724 USER MOD Single : A 92 LYS NZ :NH3+ 145:sc= -0.927 (180deg=-2.85!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 22:sc= 0.211 USER MOD Single : A 119 LYS NZ :NH3+ -156:sc= 0.581 (180deg=0.309) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 124 MET CE :methyl -160:sc= -0.395 (180deg=-0.965) USER MOD Single : A 126 LYS NZ :NH3+ 179:sc= 0.682 (180deg=0.681) USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -24.594 0.165 16.217 1.00 0.00 N ATOM 2 CA MET A 43 -24.253 0.424 14.803 1.00 0.00 C ATOM 3 C MET A 43 -23.044 1.365 14.701 1.00 0.00 C ATOM 4 O MET A 43 -22.667 2.025 15.672 1.00 0.00 O ATOM 5 CB MET A 43 -25.470 1.023 14.046 1.00 0.00 C ATOM 6 CG MET A 43 -26.643 0.055 13.835 1.00 0.00 C ATOM 7 SD MET A 43 -26.207 -1.287 12.708 1.00 0.00 S ATOM 8 CE MET A 43 -27.705 -2.268 12.698 1.00 0.00 C ATOM 0 HA MET A 43 -23.991 -0.526 14.337 1.00 0.00 H new ATOM 0 HB2 MET A 43 -25.830 1.892 14.597 1.00 0.00 H new ATOM 0 HB3 MET A 43 -25.134 1.380 13.073 1.00 0.00 H new ATOM 0 HG2 MET A 43 -26.949 -0.361 14.795 1.00 0.00 H new ATOM 0 HG3 MET A 43 -27.498 0.601 13.437 1.00 0.00 H new ATOM 0 HE1 MET A 43 -27.572 -3.128 12.042 1.00 0.00 H new ATOM 0 HE2 MET A 43 -27.921 -2.613 13.709 1.00 0.00 H new ATOM 0 HE3 MET A 43 -28.535 -1.661 12.337 1.00 0.00 H new ATOM 20 N ALA A 44 -22.444 1.381 13.508 1.00 0.00 N ATOM 21 CA ALA A 44 -21.400 2.340 13.102 1.00 0.00 C ATOM 22 C ALA A 44 -21.660 2.729 11.636 1.00 0.00 C ATOM 23 O ALA A 44 -22.595 2.198 11.017 1.00 0.00 O ATOM 24 CB ALA A 44 -20.001 1.722 13.301 1.00 0.00 C ATOM 0 H ALA A 44 -22.674 0.711 12.774 1.00 0.00 H new ATOM 0 HA ALA A 44 -21.434 3.238 13.719 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.239 2.440 12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.862 1.468 14.352 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.912 0.821 12.695 1.00 0.00 H new ATOM 30 N THR A 45 -20.874 3.670 11.084 1.00 0.00 N ATOM 31 CA THR A 45 -21.029 4.106 9.677 1.00 0.00 C ATOM 32 C THR A 45 -20.348 3.104 8.710 1.00 0.00 C ATOM 33 O THR A 45 -19.120 2.927 8.773 1.00 0.00 O ATOM 34 CB THR A 45 -20.434 5.544 9.459 1.00 0.00 C ATOM 35 OG1 THR A 45 -21.091 6.473 10.331 1.00 0.00 O ATOM 36 CG2 THR A 45 -20.578 6.026 7.997 1.00 0.00 C ATOM 0 H THR A 45 -20.125 4.145 11.587 1.00 0.00 H new ATOM 0 HA THR A 45 -22.097 4.136 9.460 1.00 0.00 H new ATOM 0 HB THR A 45 -19.369 5.493 9.686 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.718 7.369 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 45 -20.152 7.024 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 45 -20.051 5.340 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.633 6.054 7.725 1.00 0.00 H new ATOM 44 N PRO A 46 -21.134 2.394 7.826 1.00 0.00 N ATOM 45 CA PRO A 46 -20.559 1.646 6.695 1.00 0.00 C ATOM 46 C PRO A 46 -20.220 2.617 5.535 1.00 0.00 C ATOM 47 O PRO A 46 -21.118 3.295 5.016 1.00 0.00 O ATOM 48 CB PRO A 46 -21.679 0.641 6.330 1.00 0.00 C ATOM 49 CG PRO A 46 -22.951 1.347 6.696 1.00 0.00 C ATOM 50 CD PRO A 46 -22.617 2.244 7.881 1.00 0.00 C ATOM 0 HA PRO A 46 -19.622 1.138 6.921 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -21.656 0.389 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -21.570 -0.292 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -23.325 1.934 5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -23.731 0.632 6.957 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -23.117 3.209 7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -22.936 1.795 8.822 1.00 0.00 H new ATOM 58 N GLN A 47 -18.915 2.704 5.192 1.00 0.00 N ATOM 59 CA GLN A 47 -18.367 3.640 4.171 1.00 0.00 C ATOM 60 C GLN A 47 -18.403 5.091 4.716 1.00 0.00 C ATOM 61 O GLN A 47 -19.479 5.674 4.905 1.00 0.00 O ATOM 62 CB GLN A 47 -19.119 3.488 2.789 1.00 0.00 C ATOM 63 CG GLN A 47 -18.574 4.280 1.563 1.00 0.00 C ATOM 64 CD GLN A 47 -18.840 5.791 1.586 1.00 0.00 C ATOM 65 OE1 GLN A 47 -19.919 6.251 1.207 1.00 0.00 O ATOM 66 NE2 GLN A 47 -17.845 6.577 1.984 1.00 0.00 N ATOM 0 H GLN A 47 -18.198 2.119 5.621 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.325 3.386 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.123 2.430 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.157 3.783 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.498 4.118 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -19.016 3.864 0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.963 6.167 2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.963 7.590 1.981 1.00 0.00 H new ATOM 75 N ASP A 48 -17.214 5.668 4.948 1.00 0.00 N ATOM 76 CA ASP A 48 -17.049 7.067 5.385 1.00 0.00 C ATOM 77 C ASP A 48 -15.792 7.649 4.720 1.00 0.00 C ATOM 78 O ASP A 48 -14.670 7.183 4.956 1.00 0.00 O ATOM 79 CB ASP A 48 -16.969 7.151 6.936 1.00 0.00 C ATOM 80 CG ASP A 48 -16.828 8.573 7.549 1.00 0.00 C ATOM 81 OD1 ASP A 48 -16.973 9.596 6.840 1.00 0.00 O ATOM 82 OD2 ASP A 48 -16.572 8.663 8.778 1.00 0.00 O ATOM 0 H ASP A 48 -16.329 5.173 4.837 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.914 7.656 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.866 6.689 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.121 6.552 7.267 1.00 0.00 H new ATOM 87 N LYS A 49 -16.009 8.684 3.894 1.00 0.00 N ATOM 88 CA LYS A 49 -14.969 9.342 3.086 1.00 0.00 C ATOM 89 C LYS A 49 -14.009 10.193 3.947 1.00 0.00 C ATOM 90 O LYS A 49 -12.935 10.593 3.481 1.00 0.00 O ATOM 91 CB LYS A 49 -15.651 10.217 2.001 1.00 0.00 C ATOM 92 CG LYS A 49 -16.613 11.295 2.564 1.00 0.00 C ATOM 93 CD LYS A 49 -17.285 12.141 1.466 1.00 0.00 C ATOM 94 CE LYS A 49 -18.332 13.120 2.035 1.00 0.00 C ATOM 95 NZ LYS A 49 -17.765 14.065 3.040 1.00 0.00 N ATOM 0 H LYS A 49 -16.933 9.096 3.766 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.362 8.569 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.879 10.709 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.207 9.568 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.384 10.808 3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.059 11.953 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.522 12.702 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.765 11.480 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.770 13.690 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.140 12.551 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.504 14.729 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.416 13.530 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.979 14.595 2.613 1.00 0.00 H new ATOM 109 N LEU A 50 -14.408 10.482 5.197 1.00 0.00 N ATOM 110 CA LEU A 50 -13.596 11.267 6.156 1.00 0.00 C ATOM 111 C LEU A 50 -13.144 10.378 7.333 1.00 0.00 C ATOM 112 O LEU A 50 -12.947 10.863 8.456 1.00 0.00 O ATOM 113 CB LEU A 50 -14.404 12.506 6.647 1.00 0.00 C ATOM 114 CG LEU A 50 -14.651 13.631 5.589 1.00 0.00 C ATOM 115 CD1 LEU A 50 -15.509 14.770 6.172 1.00 0.00 C ATOM 116 CD2 LEU A 50 -13.312 14.176 5.026 1.00 0.00 C ATOM 0 H LEU A 50 -15.305 10.179 5.577 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.698 11.628 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.371 12.161 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.879 12.943 7.496 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.206 13.187 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.662 15.536 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.474 14.374 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.998 15.208 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.516 14.957 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.716 14.589 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.761 13.365 4.549 1.00 0.00 H new ATOM 128 N HIS A 51 -12.952 9.086 7.047 1.00 0.00 N ATOM 129 CA HIS A 51 -12.466 8.093 8.017 1.00 0.00 C ATOM 130 C HIS A 51 -11.172 7.469 7.482 1.00 0.00 C ATOM 131 O HIS A 51 -11.167 6.897 6.384 1.00 0.00 O ATOM 132 CB HIS A 51 -13.550 6.999 8.237 1.00 0.00 C ATOM 133 CG HIS A 51 -13.219 5.967 9.286 1.00 0.00 C ATOM 134 ND1 HIS A 51 -13.585 6.098 10.614 1.00 0.00 N ATOM 135 CD2 HIS A 51 -12.592 4.772 9.195 1.00 0.00 C ATOM 136 CE1 HIS A 51 -13.194 5.038 11.285 1.00 0.00 C ATOM 137 NE2 HIS A 51 -12.592 4.218 10.449 1.00 0.00 N ATOM 0 H HIS A 51 -13.132 8.693 6.123 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.264 8.573 8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -14.485 7.487 8.513 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.725 6.488 7.290 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.170 4.336 8.302 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.341 4.868 12.341 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.189 3.314 10.695 1.00 0.00 H new ATOM 146 N THR A 52 -10.077 7.609 8.246 1.00 0.00 N ATOM 147 CA THR A 52 -8.819 6.904 7.959 1.00 0.00 C ATOM 148 C THR A 52 -9.000 5.418 8.305 1.00 0.00 C ATOM 149 O THR A 52 -9.261 5.070 9.462 1.00 0.00 O ATOM 150 CB THR A 52 -7.611 7.500 8.757 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.543 8.910 8.533 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.262 6.852 8.357 1.00 0.00 C ATOM 0 H THR A 52 -10.039 8.207 9.071 1.00 0.00 H new ATOM 0 HA THR A 52 -8.589 7.026 6.900 1.00 0.00 H new ATOM 0 HB THR A 52 -7.779 7.286 9.813 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.788 9.285 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.456 7.300 8.939 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.300 5.781 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.079 7.019 7.295 1.00 0.00 H new ATOM 160 N VAL A 53 -8.887 4.561 7.293 1.00 0.00 N ATOM 161 CA VAL A 53 -9.135 3.126 7.418 1.00 0.00 C ATOM 162 C VAL A 53 -7.796 2.410 7.637 1.00 0.00 C ATOM 163 O VAL A 53 -6.855 2.590 6.844 1.00 0.00 O ATOM 164 CB VAL A 53 -9.829 2.552 6.119 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.206 1.049 6.278 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.058 3.413 5.715 1.00 0.00 C ATOM 0 H VAL A 53 -8.617 4.847 6.352 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.802 2.958 8.263 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.103 2.610 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.680 0.694 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.305 0.466 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.897 0.934 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.516 2.995 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.785 3.413 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.736 4.435 5.516 1.00 0.00 H new ATOM 176 N ARG A 54 -7.707 1.640 8.730 1.00 0.00 N ATOM 177 CA ARG A 54 -6.591 0.711 8.947 1.00 0.00 C ATOM 178 C ARG A 54 -6.927 -0.572 8.166 1.00 0.00 C ATOM 179 O ARG A 54 -7.791 -1.362 8.570 1.00 0.00 O ATOM 180 CB ARG A 54 -6.394 0.428 10.464 1.00 0.00 C ATOM 181 CG ARG A 54 -5.179 -0.466 10.807 1.00 0.00 C ATOM 182 CD ARG A 54 -5.073 -0.762 12.314 1.00 0.00 C ATOM 183 NE ARG A 54 -3.905 -1.607 12.635 1.00 0.00 N ATOM 184 CZ ARG A 54 -3.818 -2.465 13.665 1.00 0.00 C ATOM 185 NH1 ARG A 54 -4.854 -2.684 14.468 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.691 -3.128 13.875 1.00 0.00 N ATOM 0 H ARG A 54 -8.398 1.643 9.480 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.650 1.134 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.285 1.379 10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.296 -0.046 10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.257 -1.406 10.260 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.265 0.024 10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.002 0.177 12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.983 -1.260 12.650 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.094 -1.533 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.736 -2.197 14.308 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.768 -3.339 15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.893 -2.986 13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.621 -3.780 14.656 1.00 0.00 H new ATOM 200 N LEU A 55 -6.245 -0.742 7.040 1.00 0.00 N ATOM 201 CA LEU A 55 -6.579 -1.732 6.014 1.00 0.00 C ATOM 202 C LEU A 55 -5.487 -2.810 6.040 1.00 0.00 C ATOM 203 O LEU A 55 -4.291 -2.494 6.069 1.00 0.00 O ATOM 204 CB LEU A 55 -6.667 -1.013 4.621 1.00 0.00 C ATOM 205 CG LEU A 55 -7.570 -1.653 3.504 1.00 0.00 C ATOM 206 CD1 LEU A 55 -7.523 -0.804 2.214 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.206 -3.125 3.192 1.00 0.00 C ATOM 0 H LEU A 55 -5.424 -0.184 6.806 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.544 -2.203 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.023 0.003 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.655 -0.933 4.224 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.586 -1.660 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.154 -1.263 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.885 0.202 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.497 -0.751 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.867 -3.506 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.173 -3.180 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.322 -3.727 4.093 1.00 0.00 H new ATOM 219 N PHE A 56 -5.909 -4.079 6.051 1.00 0.00 N ATOM 220 CA PHE A 56 -5.020 -5.239 6.046 1.00 0.00 C ATOM 221 C PHE A 56 -5.213 -5.958 4.698 1.00 0.00 C ATOM 222 O PHE A 56 -6.348 -6.297 4.334 1.00 0.00 O ATOM 223 CB PHE A 56 -5.374 -6.198 7.218 1.00 0.00 C ATOM 224 CG PHE A 56 -5.332 -5.574 8.620 1.00 0.00 C ATOM 225 CD1 PHE A 56 -6.375 -4.767 9.078 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.257 -5.795 9.479 1.00 0.00 C ATOM 227 CE1 PHE A 56 -6.349 -4.208 10.337 1.00 0.00 C ATOM 228 CE2 PHE A 56 -4.235 -5.234 10.746 1.00 0.00 C ATOM 229 CZ PHE A 56 -5.278 -4.441 11.168 1.00 0.00 C ATOM 0 H PHE A 56 -6.898 -4.330 6.064 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.984 -4.926 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.373 -6.598 7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.685 -7.042 7.194 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.220 -4.577 8.432 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.432 -6.411 9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.168 -3.588 10.671 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.398 -5.419 11.403 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.255 -4.001 12.154 1.00 0.00 H new ATOM 239 N GLY A 57 -4.117 -6.195 3.970 1.00 0.00 N ATOM 240 CA GLY A 57 -4.172 -6.831 2.649 1.00 0.00 C ATOM 241 C GLY A 57 -2.820 -7.397 2.259 1.00 0.00 C ATOM 242 O GLY A 57 -1.876 -7.315 3.037 1.00 0.00 O ATOM 0 H GLY A 57 -3.174 -5.954 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.915 -7.628 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.493 -6.103 1.904 1.00 0.00 H new ATOM 246 N THR A 58 -2.734 -7.987 1.060 1.00 0.00 N ATOM 247 CA THR A 58 -1.472 -8.541 0.513 1.00 0.00 C ATOM 248 C THR A 58 -1.085 -7.784 -0.766 1.00 0.00 C ATOM 249 O THR A 58 -1.956 -7.389 -1.530 1.00 0.00 O ATOM 250 CB THR A 58 -1.631 -10.068 0.226 1.00 0.00 C ATOM 251 OG1 THR A 58 -2.153 -10.719 1.395 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.298 -10.734 -0.173 1.00 0.00 C ATOM 0 H THR A 58 -3.533 -8.098 0.436 1.00 0.00 H new ATOM 0 HA THR A 58 -0.677 -8.415 1.248 1.00 0.00 H new ATOM 0 HB THR A 58 -2.317 -10.173 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.256 -11.677 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.463 -11.795 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.089 -10.261 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.423 -10.617 0.636 1.00 0.00 H new ATOM 260 N VAL A 59 0.219 -7.557 -0.974 1.00 0.00 N ATOM 261 CA VAL A 59 0.739 -6.852 -2.157 1.00 0.00 C ATOM 262 C VAL A 59 0.741 -7.784 -3.379 1.00 0.00 C ATOM 263 O VAL A 59 1.311 -8.888 -3.332 1.00 0.00 O ATOM 264 CB VAL A 59 2.195 -6.305 -1.909 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.745 -5.538 -3.144 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.240 -5.424 -0.645 1.00 0.00 C ATOM 0 H VAL A 59 0.947 -7.858 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 59 0.081 -6.004 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 59 2.844 -7.166 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.751 -5.178 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.774 -6.207 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.096 -4.691 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.255 -5.057 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.563 -4.578 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.934 -6.013 0.220 1.00 0.00 H new ATOM 276 N ALA A 60 0.086 -7.333 -4.461 1.00 0.00 N ATOM 277 CA ALA A 60 0.159 -7.983 -5.770 1.00 0.00 C ATOM 278 C ALA A 60 1.498 -7.625 -6.439 1.00 0.00 C ATOM 279 O ALA A 60 1.924 -6.460 -6.406 1.00 0.00 O ATOM 280 CB ALA A 60 -1.035 -7.573 -6.661 1.00 0.00 C ATOM 0 H ALA A 60 -0.509 -6.505 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 60 0.105 -9.063 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.955 -8.071 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.967 -7.866 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.026 -6.493 -6.807 1.00 0.00 H new ATOM 286 N ALA A 61 2.144 -8.635 -7.036 1.00 0.00 N ATOM 287 CA ALA A 61 3.436 -8.467 -7.725 1.00 0.00 C ATOM 288 C ALA A 61 3.226 -7.703 -9.045 1.00 0.00 C ATOM 289 O ALA A 61 4.093 -6.940 -9.488 1.00 0.00 O ATOM 290 CB ALA A 61 4.092 -9.836 -7.973 1.00 0.00 C ATOM 0 H ALA A 61 1.789 -9.591 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 61 4.108 -7.885 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.045 -9.696 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.260 -10.337 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.436 -10.447 -8.593 1.00 0.00 H new ATOM 296 N ASP A 62 2.046 -7.924 -9.646 1.00 0.00 N ATOM 297 CA ASP A 62 1.621 -7.250 -10.884 1.00 0.00 C ATOM 298 C ASP A 62 1.018 -5.884 -10.515 1.00 0.00 C ATOM 299 O ASP A 62 0.221 -5.791 -9.569 1.00 0.00 O ATOM 300 CB ASP A 62 0.582 -8.108 -11.663 1.00 0.00 C ATOM 301 CG ASP A 62 0.948 -9.599 -11.724 1.00 0.00 C ATOM 302 OD1 ASP A 62 0.588 -10.342 -10.784 1.00 0.00 O ATOM 303 OD2 ASP A 62 1.599 -10.037 -12.702 1.00 0.00 O ATOM 0 H ASP A 62 1.354 -8.581 -9.284 1.00 0.00 H new ATOM 0 HA ASP A 62 2.485 -7.114 -11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.395 -8.000 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.490 -7.722 -12.678 1.00 0.00 H new ATOM 308 N GLY A 63 1.433 -4.836 -11.233 1.00 0.00 N ATOM 309 CA GLY A 63 0.929 -3.475 -11.012 1.00 0.00 C ATOM 310 C GLY A 63 1.724 -2.702 -9.964 1.00 0.00 C ATOM 311 O GLY A 63 1.372 -1.566 -9.631 1.00 0.00 O ATOM 0 H GLY A 63 2.124 -4.905 -11.980 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.954 -2.928 -11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.115 -3.527 -10.702 1.00 0.00 H new ATOM 315 N LEU A 64 2.794 -3.315 -9.439 1.00 0.00 N ATOM 316 CA LEU A 64 3.682 -2.683 -8.466 1.00 0.00 C ATOM 317 C LEU A 64 4.588 -1.698 -9.230 1.00 0.00 C ATOM 318 O LEU A 64 5.510 -2.108 -9.936 1.00 0.00 O ATOM 319 CB LEU A 64 4.487 -3.757 -7.668 1.00 0.00 C ATOM 320 CG LEU A 64 5.081 -3.316 -6.279 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.535 -4.535 -5.455 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.240 -2.289 -6.410 1.00 0.00 C ATOM 0 H LEU A 64 3.065 -4.268 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 64 3.113 -2.130 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.835 -4.615 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.310 -4.099 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 64 4.270 -2.814 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.941 -4.199 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.683 -5.191 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.303 -5.080 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.606 -2.025 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.051 -2.728 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.877 -1.393 -6.913 1.00 0.00 H new ATOM 334 N THR A 65 4.267 -0.413 -9.102 1.00 0.00 N ATOM 335 CA THR A 65 4.962 0.697 -9.774 1.00 0.00 C ATOM 336 C THR A 65 5.518 1.673 -8.718 1.00 0.00 C ATOM 337 O THR A 65 4.788 2.132 -7.850 1.00 0.00 O ATOM 338 CB THR A 65 3.980 1.464 -10.734 1.00 0.00 C ATOM 339 OG1 THR A 65 3.336 0.535 -11.623 1.00 0.00 O ATOM 340 CG2 THR A 65 4.697 2.544 -11.568 1.00 0.00 C ATOM 0 H THR A 65 3.496 -0.100 -8.513 1.00 0.00 H new ATOM 0 HA THR A 65 5.781 0.289 -10.366 1.00 0.00 H new ATOM 0 HB THR A 65 3.243 1.961 -10.103 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.725 1.020 -12.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.975 3.044 -12.214 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.154 3.275 -10.901 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.469 2.078 -12.180 1.00 0.00 H new ATOM 348 N MET A 66 6.814 1.987 -8.795 1.00 0.00 N ATOM 349 CA MET A 66 7.447 2.972 -7.892 1.00 0.00 C ATOM 350 C MET A 66 7.204 4.375 -8.463 1.00 0.00 C ATOM 351 O MET A 66 7.165 4.542 -9.692 1.00 0.00 O ATOM 352 CB MET A 66 8.964 2.681 -7.743 1.00 0.00 C ATOM 353 CG MET A 66 9.290 1.283 -7.194 1.00 0.00 C ATOM 354 SD MET A 66 8.531 0.945 -5.587 1.00 0.00 S ATOM 355 CE MET A 66 9.248 2.224 -4.554 1.00 0.00 C ATOM 0 H MET A 66 7.454 1.575 -9.474 1.00 0.00 H new ATOM 0 HA MET A 66 7.008 2.904 -6.897 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.441 2.797 -8.716 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.402 3.429 -7.082 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.955 0.533 -7.910 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.371 1.179 -7.105 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.992 2.035 -3.511 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.332 2.219 -4.669 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.856 3.196 -4.854 1.00 0.00 H new ATOM 365 N LEU A 67 7.017 5.374 -7.584 1.00 0.00 N ATOM 366 CA LEU A 67 6.754 6.759 -8.020 1.00 0.00 C ATOM 367 C LEU A 67 8.025 7.363 -8.665 1.00 0.00 C ATOM 368 O LEU A 67 9.107 7.339 -8.067 1.00 0.00 O ATOM 369 CB LEU A 67 6.235 7.619 -6.837 1.00 0.00 C ATOM 370 CG LEU A 67 4.880 7.156 -6.198 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.432 8.124 -5.081 1.00 0.00 C ATOM 372 CD2 LEU A 67 3.774 6.958 -7.266 1.00 0.00 C ATOM 0 H LEU A 67 7.043 5.251 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 67 5.969 6.752 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.997 7.629 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.119 8.646 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 67 5.051 6.182 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.490 7.778 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.192 8.156 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.297 9.122 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.852 6.637 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.600 7.899 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.090 6.199 -7.981 1.00 0.00 H new ATOM 384 N ASP A 68 7.870 7.856 -9.906 1.00 0.00 N ATOM 385 CA ASP A 68 8.982 8.294 -10.774 1.00 0.00 C ATOM 386 C ASP A 68 9.608 9.587 -10.236 1.00 0.00 C ATOM 387 O ASP A 68 9.014 10.667 -10.359 1.00 0.00 O ATOM 388 CB ASP A 68 8.477 8.502 -12.229 1.00 0.00 C ATOM 389 CG ASP A 68 7.907 7.221 -12.856 1.00 0.00 C ATOM 390 OD1 ASP A 68 6.745 6.866 -12.557 1.00 0.00 O ATOM 391 OD2 ASP A 68 8.619 6.548 -13.641 1.00 0.00 O ATOM 0 H ASP A 68 6.955 7.964 -10.343 1.00 0.00 H new ATOM 0 HA ASP A 68 9.747 7.517 -10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.709 9.275 -12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.300 8.866 -12.845 1.00 0.00 H new ATOM 396 N GLY A 69 10.788 9.452 -9.611 1.00 0.00 N ATOM 397 CA GLY A 69 11.511 10.582 -9.033 1.00 0.00 C ATOM 398 C GLY A 69 10.796 11.187 -7.827 1.00 0.00 C ATOM 399 O GLY A 69 10.935 12.383 -7.550 1.00 0.00 O ATOM 0 H GLY A 69 11.262 8.556 -9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.507 10.255 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.643 11.351 -9.794 1.00 0.00 H new ATOM 403 N ALA A 70 10.025 10.346 -7.116 1.00 0.00 N ATOM 404 CA ALA A 70 9.244 10.748 -5.932 1.00 0.00 C ATOM 405 C ALA A 70 9.293 9.621 -4.879 1.00 0.00 C ATOM 406 O ALA A 70 9.099 8.450 -5.237 1.00 0.00 O ATOM 407 CB ALA A 70 7.784 11.061 -6.330 1.00 0.00 C ATOM 0 H ALA A 70 9.925 9.358 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 70 9.677 11.652 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.221 11.356 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.771 11.874 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.329 10.174 -6.770 1.00 0.00 H new ATOM 413 N PRO A 71 9.579 9.946 -3.571 1.00 0.00 N ATOM 414 CA PRO A 71 9.496 8.962 -2.462 1.00 0.00 C ATOM 415 C PRO A 71 8.066 8.393 -2.331 1.00 0.00 C ATOM 416 O PRO A 71 7.120 9.124 -2.002 1.00 0.00 O ATOM 417 CB PRO A 71 9.917 9.786 -1.203 1.00 0.00 C ATOM 418 CG PRO A 71 9.715 11.219 -1.597 1.00 0.00 C ATOM 419 CD PRO A 71 10.015 11.279 -3.076 1.00 0.00 C ATOM 0 HA PRO A 71 10.133 8.091 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.308 9.524 -0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.955 9.593 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.695 11.542 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.378 11.877 -1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.470 12.087 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.075 11.451 -3.264 1.00 0.00 H new ATOM 427 N GLY A 72 7.918 7.104 -2.672 1.00 0.00 N ATOM 428 CA GLY A 72 6.650 6.398 -2.540 1.00 0.00 C ATOM 429 C GLY A 72 6.498 5.263 -3.544 1.00 0.00 C ATOM 430 O GLY A 72 7.401 4.995 -4.346 1.00 0.00 O ATOM 0 H GLY A 72 8.675 6.530 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.566 5.997 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.831 7.105 -2.671 1.00 0.00 H new ATOM 434 N VAL A 73 5.325 4.624 -3.512 1.00 0.00 N ATOM 435 CA VAL A 73 4.981 3.475 -4.365 1.00 0.00 C ATOM 436 C VAL A 73 3.455 3.429 -4.579 1.00 0.00 C ATOM 437 O VAL A 73 2.678 3.652 -3.645 1.00 0.00 O ATOM 438 CB VAL A 73 5.489 2.110 -3.752 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.920 1.854 -2.327 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.196 0.917 -4.702 1.00 0.00 C ATOM 0 H VAL A 73 4.571 4.894 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 73 5.484 3.606 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 73 6.571 2.195 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.298 0.904 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.231 2.659 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.831 1.819 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.558 -0.006 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.122 0.841 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.702 1.077 -5.654 1.00 0.00 H new ATOM 450 N ARG A 74 3.045 3.187 -5.830 1.00 0.00 N ATOM 451 CA ARG A 74 1.659 2.854 -6.172 1.00 0.00 C ATOM 452 C ARG A 74 1.612 1.402 -6.659 1.00 0.00 C ATOM 453 O ARG A 74 2.322 1.036 -7.579 1.00 0.00 O ATOM 454 CB ARG A 74 1.090 3.811 -7.246 1.00 0.00 C ATOM 455 CG ARG A 74 -0.395 3.543 -7.587 1.00 0.00 C ATOM 456 CD ARG A 74 -0.956 4.536 -8.607 1.00 0.00 C ATOM 457 NE ARG A 74 -0.892 5.923 -8.107 1.00 0.00 N ATOM 458 CZ ARG A 74 -0.855 7.024 -8.875 1.00 0.00 C ATOM 459 NH1 ARG A 74 -0.858 6.937 -10.197 1.00 0.00 N ATOM 460 NH2 ARG A 74 -0.801 8.216 -8.312 1.00 0.00 N ATOM 0 H ARG A 74 3.669 3.217 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 74 1.036 2.970 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.195 4.839 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.685 3.720 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.497 2.531 -7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.988 3.593 -6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.395 4.458 -9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.990 4.278 -8.836 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.874 6.056 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.889 6.023 -10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.830 7.784 -10.764 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.787 8.300 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.773 9.054 -8.893 1.00 0.00 H new ATOM 474 N PHE A 75 0.725 0.608 -6.075 1.00 0.00 N ATOM 475 CA PHE A 75 0.691 -0.848 -6.299 1.00 0.00 C ATOM 476 C PHE A 75 -0.747 -1.339 -6.230 1.00 0.00 C ATOM 477 O PHE A 75 -1.652 -0.578 -5.885 1.00 0.00 O ATOM 478 CB PHE A 75 1.603 -1.593 -5.272 1.00 0.00 C ATOM 479 CG PHE A 75 1.246 -1.392 -3.787 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.675 -0.253 -3.093 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.494 -2.339 -3.081 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.366 -0.073 -1.752 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.186 -2.158 -1.741 1.00 0.00 C ATOM 484 CZ PHE A 75 0.623 -1.027 -1.077 1.00 0.00 C ATOM 0 H PHE A 75 0.007 0.944 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 75 1.084 -1.067 -7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.570 -2.660 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.632 -1.268 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.255 0.497 -3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.148 -3.227 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.705 0.812 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.396 -2.901 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.385 -0.888 -0.033 1.00 0.00 H new ATOM 494 N ARG A 76 -0.966 -2.609 -6.578 1.00 0.00 N ATOM 495 CA ARG A 76 -2.272 -3.246 -6.417 1.00 0.00 C ATOM 496 C ARG A 76 -2.276 -4.022 -5.100 1.00 0.00 C ATOM 497 O ARG A 76 -1.346 -4.780 -4.821 1.00 0.00 O ATOM 498 CB ARG A 76 -2.589 -4.199 -7.585 1.00 0.00 C ATOM 499 CG ARG A 76 -2.807 -3.520 -8.938 1.00 0.00 C ATOM 500 CD ARG A 76 -3.423 -4.467 -9.982 1.00 0.00 C ATOM 501 NE ARG A 76 -2.655 -5.722 -10.111 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.160 -6.965 -10.008 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.460 -7.165 -9.838 1.00 0.00 N ATOM 504 NH2 ARG A 76 -2.355 -8.004 -10.070 1.00 0.00 N ATOM 0 H ARG A 76 -0.251 -3.218 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.040 -2.472 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.771 -4.913 -7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.483 -4.770 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.459 -2.657 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.854 -3.145 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.450 -4.698 -9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.462 -3.965 -10.949 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.655 -5.639 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.096 -6.369 -9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.824 -8.115 -9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.352 -7.865 -10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.734 -8.948 -9.992 1.00 0.00 H new ATOM 518 N LEU A 77 -3.310 -3.801 -4.294 1.00 0.00 N ATOM 519 CA LEU A 77 -3.516 -4.502 -3.034 1.00 0.00 C ATOM 520 C LEU A 77 -4.596 -5.563 -3.220 1.00 0.00 C ATOM 521 O LEU A 77 -5.748 -5.227 -3.523 1.00 0.00 O ATOM 522 CB LEU A 77 -3.953 -3.512 -1.922 1.00 0.00 C ATOM 523 CG LEU A 77 -4.041 -4.110 -0.487 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.635 -4.467 0.031 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.777 -3.160 0.483 1.00 0.00 C ATOM 0 H LEU A 77 -4.039 -3.119 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.578 -4.970 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.251 -2.678 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.928 -3.103 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.629 -5.026 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.712 -4.884 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.178 -5.201 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.018 -3.569 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.818 -3.612 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.243 -2.212 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.790 -2.985 0.122 1.00 0.00 H new ATOM 537 N GLU A 78 -4.212 -6.828 -3.043 1.00 0.00 N ATOM 538 CA GLU A 78 -5.143 -7.954 -2.974 1.00 0.00 C ATOM 539 C GLU A 78 -5.898 -7.831 -1.644 1.00 0.00 C ATOM 540 O GLU A 78 -5.435 -8.292 -0.587 1.00 0.00 O ATOM 541 CB GLU A 78 -4.352 -9.282 -3.074 1.00 0.00 C ATOM 542 CG GLU A 78 -3.440 -9.371 -4.315 1.00 0.00 C ATOM 543 CD GLU A 78 -2.471 -10.557 -4.248 1.00 0.00 C ATOM 544 OE1 GLU A 78 -1.523 -10.498 -3.441 1.00 0.00 O ATOM 545 OE2 GLU A 78 -2.662 -11.554 -4.972 1.00 0.00 O ATOM 0 H GLU A 78 -3.235 -7.102 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.857 -7.946 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.743 -9.400 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.057 -10.113 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.057 -9.460 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.871 -8.446 -4.411 1.00 0.00 H new ATOM 552 N ASP A 79 -7.038 -7.137 -1.725 1.00 0.00 N ATOM 553 CA ASP A 79 -7.720 -6.553 -0.570 1.00 0.00 C ATOM 554 C ASP A 79 -8.429 -7.641 0.254 1.00 0.00 C ATOM 555 O ASP A 79 -9.581 -7.971 -0.019 1.00 0.00 O ATOM 556 CB ASP A 79 -8.716 -5.484 -1.099 1.00 0.00 C ATOM 557 CG ASP A 79 -9.374 -4.613 -0.009 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.366 -5.061 0.617 1.00 0.00 O ATOM 559 OD2 ASP A 79 -8.923 -3.465 0.207 1.00 0.00 O ATOM 0 H ASP A 79 -7.518 -6.964 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.002 -6.080 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.190 -4.832 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.501 -5.988 -1.664 1.00 0.00 H new ATOM 564 N LYS A 80 -7.700 -8.182 1.253 1.00 0.00 N ATOM 565 CA LYS A 80 -8.218 -9.143 2.249 1.00 0.00 C ATOM 566 C LYS A 80 -8.935 -10.348 1.566 1.00 0.00 C ATOM 567 O LYS A 80 -10.158 -10.332 1.382 1.00 0.00 O ATOM 568 CB LYS A 80 -9.107 -8.376 3.294 1.00 0.00 C ATOM 569 CG LYS A 80 -9.393 -9.102 4.643 1.00 0.00 C ATOM 570 CD LYS A 80 -10.532 -10.160 4.605 1.00 0.00 C ATOM 571 CE LYS A 80 -11.941 -9.571 4.357 1.00 0.00 C ATOM 572 NZ LYS A 80 -12.150 -9.069 2.973 1.00 0.00 N ATOM 0 H LYS A 80 -6.715 -7.958 1.392 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.390 -9.592 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.624 -7.424 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.063 -8.146 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.477 -9.592 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.642 -8.352 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.312 -10.886 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.539 -10.703 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.687 -10.336 4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.111 -8.754 5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.101 -9.335 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.057 -8.033 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.438 -9.487 2.341 1.00 0.00 H new ATOM 586 N ASP A 81 -8.120 -11.333 1.115 1.00 0.00 N ATOM 587 CA ASP A 81 -8.576 -12.661 0.603 1.00 0.00 C ATOM 588 C ASP A 81 -9.208 -12.618 -0.813 1.00 0.00 C ATOM 589 O ASP A 81 -9.875 -13.585 -1.218 1.00 0.00 O ATOM 590 CB ASP A 81 -9.533 -13.371 1.614 1.00 0.00 C ATOM 591 CG ASP A 81 -8.835 -13.823 2.905 1.00 0.00 C ATOM 592 OD1 ASP A 81 -8.165 -14.881 2.886 1.00 0.00 O ATOM 593 OD2 ASP A 81 -8.938 -13.132 3.941 1.00 0.00 O ATOM 0 H ASP A 81 -7.105 -11.230 1.094 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.664 -13.250 0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.347 -12.693 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.981 -14.239 1.130 1.00 0.00 H new ATOM 598 N ASN A 82 -8.983 -11.535 -1.583 1.00 0.00 N ATOM 599 CA ASN A 82 -9.417 -11.466 -3.004 1.00 0.00 C ATOM 600 C ASN A 82 -8.340 -10.802 -3.886 1.00 0.00 C ATOM 601 O ASN A 82 -7.920 -9.674 -3.616 1.00 0.00 O ATOM 602 CB ASN A 82 -10.803 -10.749 -3.168 1.00 0.00 C ATOM 603 CG ASN A 82 -10.998 -9.517 -2.293 1.00 0.00 C ATOM 604 OD1 ASN A 82 -11.579 -9.603 -1.212 1.00 0.00 O ATOM 605 ND2 ASN A 82 -10.515 -8.364 -2.744 1.00 0.00 N ATOM 0 H ASN A 82 -8.506 -10.696 -1.252 1.00 0.00 H new ATOM 0 HA ASN A 82 -9.547 -12.493 -3.345 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.923 -10.458 -4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.594 -11.464 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.621 -7.515 -2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.038 -8.328 -3.645 1.00 0.00 H new ATOM 612 N THR A 83 -7.907 -11.536 -4.946 1.00 0.00 N ATOM 613 CA THR A 83 -6.843 -11.108 -5.877 1.00 0.00 C ATOM 614 C THR A 83 -7.413 -10.486 -7.168 1.00 0.00 C ATOM 615 O THR A 83 -6.759 -9.652 -7.799 1.00 0.00 O ATOM 616 CB THR A 83 -5.897 -12.302 -6.263 1.00 0.00 C ATOM 617 OG1 THR A 83 -4.780 -11.822 -7.037 1.00 0.00 O ATOM 618 CG2 THR A 83 -6.613 -13.431 -7.049 1.00 0.00 C ATOM 0 H THR A 83 -8.295 -12.451 -5.175 1.00 0.00 H new ATOM 0 HA THR A 83 -6.270 -10.349 -5.345 1.00 0.00 H new ATOM 0 HB THR A 83 -5.556 -12.732 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.007 -11.692 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.899 -14.221 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.422 -13.839 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.022 -13.027 -7.975 1.00 0.00 H new ATOM 626 N SER A 84 -8.632 -10.904 -7.570 1.00 0.00 N ATOM 627 CA SER A 84 -9.286 -10.374 -8.786 1.00 0.00 C ATOM 628 C SER A 84 -9.735 -8.931 -8.523 1.00 0.00 C ATOM 629 O SER A 84 -9.637 -8.076 -9.401 1.00 0.00 O ATOM 630 CB SER A 84 -10.487 -11.263 -9.217 1.00 0.00 C ATOM 631 OG SER A 84 -11.100 -10.800 -10.417 1.00 0.00 O ATOM 0 H SER A 84 -9.182 -11.604 -7.072 1.00 0.00 H new ATOM 0 HA SER A 84 -8.571 -10.386 -9.609 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.145 -12.288 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.227 -11.282 -8.417 1.00 0.00 H new ATOM 0 HG SER A 84 -11.848 -11.389 -10.651 1.00 0.00 H new ATOM 637 N LYS A 85 -10.230 -8.686 -7.300 1.00 0.00 N ATOM 638 CA LYS A 85 -10.549 -7.339 -6.825 1.00 0.00 C ATOM 639 C LYS A 85 -9.337 -6.757 -6.077 1.00 0.00 C ATOM 640 O LYS A 85 -9.122 -7.048 -4.900 1.00 0.00 O ATOM 641 CB LYS A 85 -11.819 -7.370 -5.927 1.00 0.00 C ATOM 642 CG LYS A 85 -13.056 -7.993 -6.610 1.00 0.00 C ATOM 643 CD LYS A 85 -14.337 -7.863 -5.761 1.00 0.00 C ATOM 644 CE LYS A 85 -15.557 -8.505 -6.450 1.00 0.00 C ATOM 645 NZ LYS A 85 -15.819 -7.928 -7.798 1.00 0.00 N ATOM 0 H LYS A 85 -10.419 -9.419 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.767 -6.692 -7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.596 -7.932 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.060 -6.352 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.214 -7.510 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.863 -9.047 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.178 -8.336 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.541 -6.809 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -15.394 -9.579 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.438 -8.369 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.730 -8.279 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.850 -6.891 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.060 -8.211 -8.450 1.00 0.00 H new ATOM 659 N THR A 86 -8.510 -5.989 -6.801 1.00 0.00 N ATOM 660 CA THR A 86 -7.370 -5.257 -6.228 1.00 0.00 C ATOM 661 C THR A 86 -7.641 -3.752 -6.281 1.00 0.00 C ATOM 662 O THR A 86 -8.157 -3.235 -7.279 1.00 0.00 O ATOM 663 CB THR A 86 -6.032 -5.574 -6.976 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.199 -5.407 -8.392 1.00 0.00 O ATOM 665 CG2 THR A 86 -5.521 -6.994 -6.678 1.00 0.00 C ATOM 0 H THR A 86 -8.614 -5.857 -7.807 1.00 0.00 H new ATOM 0 HA THR A 86 -7.258 -5.582 -5.194 1.00 0.00 H new ATOM 0 HB THR A 86 -5.286 -4.869 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.774 -6.120 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.591 -7.167 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.343 -7.100 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.267 -7.723 -6.995 1.00 0.00 H new ATOM 673 N VAL A 87 -7.290 -3.068 -5.192 1.00 0.00 N ATOM 674 CA VAL A 87 -7.394 -1.606 -5.085 1.00 0.00 C ATOM 675 C VAL A 87 -5.993 -1.015 -5.274 1.00 0.00 C ATOM 676 O VAL A 87 -5.034 -1.520 -4.695 1.00 0.00 O ATOM 677 CB VAL A 87 -7.967 -1.173 -3.675 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.186 0.366 -3.581 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.266 -1.951 -3.340 1.00 0.00 C ATOM 0 H VAL A 87 -6.922 -3.513 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.079 -1.237 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.217 -1.432 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.580 0.618 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.236 0.879 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.895 0.680 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.639 -1.634 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.019 -1.746 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.054 -3.020 -3.318 1.00 0.00 H new ATOM 689 N TRP A 88 -5.878 0.066 -6.057 1.00 0.00 N ATOM 690 CA TRP A 88 -4.590 0.732 -6.284 1.00 0.00 C ATOM 691 C TRP A 88 -4.303 1.602 -5.060 1.00 0.00 C ATOM 692 O TRP A 88 -5.158 2.370 -4.661 1.00 0.00 O ATOM 693 CB TRP A 88 -4.627 1.593 -7.570 1.00 0.00 C ATOM 694 CG TRP A 88 -4.761 0.788 -8.847 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.915 0.461 -9.515 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.685 0.209 -9.609 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.613 -0.253 -10.651 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.258 -0.423 -10.729 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.299 0.175 -9.453 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.481 -1.072 -11.698 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.534 -0.472 -10.409 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.128 -1.088 -11.518 1.00 0.00 C ATOM 0 H TRP A 88 -6.663 0.498 -6.544 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.802 -0.009 -6.421 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.461 2.291 -7.504 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.716 2.189 -7.622 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.912 0.725 -9.196 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.292 -0.601 -11.328 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.831 0.645 -8.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.936 -1.543 -12.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.460 -0.502 -10.298 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.503 -1.585 -12.245 1.00 0.00 H new ATOM 713 N VAL A 89 -3.135 1.448 -4.453 1.00 0.00 N ATOM 714 CA VAL A 89 -2.771 2.142 -3.216 1.00 0.00 C ATOM 715 C VAL A 89 -1.658 3.150 -3.510 1.00 0.00 C ATOM 716 O VAL A 89 -0.571 2.757 -3.939 1.00 0.00 O ATOM 717 CB VAL A 89 -2.304 1.121 -2.124 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.831 1.838 -0.834 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.433 0.099 -1.824 1.00 0.00 C ATOM 0 H VAL A 89 -2.402 0.832 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.646 2.668 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.445 0.577 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.515 1.096 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.994 2.495 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.651 2.427 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.094 -0.604 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.315 0.627 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.683 -0.445 -2.735 1.00 0.00 H new ATOM 729 N LEU A 90 -1.951 4.440 -3.300 1.00 0.00 N ATOM 730 CA LEU A 90 -0.976 5.517 -3.456 1.00 0.00 C ATOM 731 C LEU A 90 -0.339 5.823 -2.093 1.00 0.00 C ATOM 732 O LEU A 90 -0.922 6.537 -1.265 1.00 0.00 O ATOM 733 CB LEU A 90 -1.642 6.789 -4.050 1.00 0.00 C ATOM 734 CG LEU A 90 -0.698 8.006 -4.294 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.493 7.629 -5.205 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.487 9.209 -4.860 1.00 0.00 C ATOM 0 H LEU A 90 -2.876 4.763 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.201 5.197 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.109 6.521 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.441 7.104 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.282 8.303 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.129 8.502 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.072 6.833 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.119 7.285 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.808 10.046 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.949 8.928 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.261 9.502 -4.151 1.00 0.00 H new ATOM 748 N TYR A 91 0.829 5.221 -1.859 1.00 0.00 N ATOM 749 CA TYR A 91 1.679 5.525 -0.703 1.00 0.00 C ATOM 750 C TYR A 91 2.731 6.553 -1.146 1.00 0.00 C ATOM 751 O TYR A 91 3.434 6.324 -2.124 1.00 0.00 O ATOM 752 CB TYR A 91 2.365 4.239 -0.159 1.00 0.00 C ATOM 753 CG TYR A 91 3.367 4.513 0.975 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.947 5.087 2.176 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.732 4.218 0.836 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.843 5.364 3.190 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.629 4.491 1.853 1.00 0.00 C ATOM 758 CZ TYR A 91 5.182 5.062 3.031 1.00 0.00 C ATOM 759 OH TYR A 91 6.074 5.331 4.050 1.00 0.00 O ATOM 0 H TYR A 91 1.216 4.503 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 91 1.071 5.931 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.599 3.552 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.882 3.738 -0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.901 5.319 2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.088 3.770 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.497 5.817 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.676 4.259 1.728 1.00 0.00 H new ATOM 0 HH TYR A 91 6.969 5.028 3.790 1.00 0.00 H new ATOM 769 N LYS A 92 2.783 7.706 -0.461 1.00 0.00 N ATOM 770 CA LYS A 92 3.832 8.724 -0.652 1.00 0.00 C ATOM 771 C LYS A 92 4.658 8.859 0.644 1.00 0.00 C ATOM 772 O LYS A 92 4.139 9.299 1.676 1.00 0.00 O ATOM 773 CB LYS A 92 3.180 10.078 -1.059 1.00 0.00 C ATOM 774 CG LYS A 92 2.434 10.033 -2.416 1.00 0.00 C ATOM 775 CD LYS A 92 1.663 11.339 -2.771 1.00 0.00 C ATOM 776 CE LYS A 92 0.349 11.534 -1.984 1.00 0.00 C ATOM 777 NZ LYS A 92 0.566 11.809 -0.544 1.00 0.00 N ATOM 0 H LYS A 92 2.094 7.961 0.246 1.00 0.00 H new ATOM 0 HA LYS A 92 4.506 8.422 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.480 10.381 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.955 10.843 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.155 9.825 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.729 9.202 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.314 12.193 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.437 11.335 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.212 12.359 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.265 10.640 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.160 12.471 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.503 10.920 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.508 12.228 -0.409 1.00 0.00 H new ATOM 791 N GLY A 93 5.932 8.447 0.570 1.00 0.00 N ATOM 792 CA GLY A 93 6.854 8.470 1.711 1.00 0.00 C ATOM 793 C GLY A 93 7.995 7.482 1.520 1.00 0.00 C ATOM 794 O GLY A 93 8.114 6.866 0.451 1.00 0.00 O ATOM 0 H GLY A 93 6.352 8.087 -0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.257 9.475 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.311 8.229 2.625 1.00 0.00 H new ATOM 798 N ALA A 94 8.827 7.317 2.562 1.00 0.00 N ATOM 799 CA ALA A 94 9.954 6.371 2.553 1.00 0.00 C ATOM 800 C ALA A 94 9.436 4.924 2.557 1.00 0.00 C ATOM 801 O ALA A 94 8.810 4.492 3.534 1.00 0.00 O ATOM 802 CB ALA A 94 10.873 6.615 3.763 1.00 0.00 C ATOM 0 H ALA A 94 8.736 7.837 3.435 1.00 0.00 H new ATOM 0 HA ALA A 94 10.533 6.531 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.701 5.906 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.264 7.632 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.306 6.480 4.684 1.00 0.00 H new ATOM 808 N VAL A 95 9.649 4.220 1.438 1.00 0.00 N ATOM 809 CA VAL A 95 9.256 2.806 1.284 1.00 0.00 C ATOM 810 C VAL A 95 10.336 1.898 1.918 1.00 0.00 C ATOM 811 O VAL A 95 11.456 1.810 1.384 1.00 0.00 O ATOM 812 CB VAL A 95 9.041 2.424 -0.235 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.561 0.956 -0.397 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.059 3.405 -0.909 1.00 0.00 C ATOM 0 H VAL A 95 10.099 4.612 0.611 1.00 0.00 H new ATOM 0 HA VAL A 95 8.305 2.657 1.796 1.00 0.00 H new ATOM 0 HB VAL A 95 10.006 2.505 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.425 0.732 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.306 0.281 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.614 0.823 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.925 3.125 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.098 3.367 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.460 4.417 -0.853 1.00 0.00 H new ATOM 824 N PRO A 96 10.034 1.216 3.075 1.00 0.00 N ATOM 825 CA PRO A 96 11.005 0.322 3.743 1.00 0.00 C ATOM 826 C PRO A 96 11.237 -0.981 2.950 1.00 0.00 C ATOM 827 O PRO A 96 10.379 -1.397 2.161 1.00 0.00 O ATOM 828 CB PRO A 96 10.354 0.060 5.124 1.00 0.00 C ATOM 829 CG PRO A 96 8.881 0.186 4.876 1.00 0.00 C ATOM 830 CD PRO A 96 8.732 1.252 3.811 1.00 0.00 C ATOM 0 HA PRO A 96 11.999 0.761 3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.609 -0.930 5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.694 0.782 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.458 -0.762 4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.354 0.467 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.893 1.039 3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.550 2.232 4.251 1.00 0.00 H new ATOM 838 N ASP A 97 12.393 -1.628 3.194 1.00 0.00 N ATOM 839 CA ASP A 97 12.824 -2.850 2.461 1.00 0.00 C ATOM 840 C ASP A 97 11.956 -4.077 2.810 1.00 0.00 C ATOM 841 O ASP A 97 12.042 -5.105 2.130 1.00 0.00 O ATOM 842 CB ASP A 97 14.315 -3.166 2.753 1.00 0.00 C ATOM 843 CG ASP A 97 15.267 -2.041 2.304 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.732 -2.067 1.142 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.536 -1.118 3.099 1.00 0.00 O ATOM 0 H ASP A 97 13.060 -1.324 3.904 1.00 0.00 H new ATOM 0 HA ASP A 97 12.697 -2.641 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.442 -3.337 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.591 -4.091 2.247 1.00 0.00 H new ATOM 850 N THR A 98 11.133 -3.956 3.877 1.00 0.00 N ATOM 851 CA THR A 98 10.153 -4.993 4.267 1.00 0.00 C ATOM 852 C THR A 98 8.987 -5.081 3.253 1.00 0.00 C ATOM 853 O THR A 98 8.302 -6.111 3.177 1.00 0.00 O ATOM 854 CB THR A 98 9.583 -4.743 5.707 1.00 0.00 C ATOM 855 OG1 THR A 98 8.735 -5.835 6.111 1.00 0.00 O ATOM 856 CG2 THR A 98 8.796 -3.423 5.816 1.00 0.00 C ATOM 0 H THR A 98 11.130 -3.140 4.489 1.00 0.00 H new ATOM 0 HA THR A 98 10.689 -5.942 4.268 1.00 0.00 H new ATOM 0 HB THR A 98 10.445 -4.672 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.340 -6.253 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.426 -3.303 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.450 -2.588 5.567 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.954 -3.443 5.124 1.00 0.00 H new ATOM 864 N PHE A 99 8.764 -3.981 2.504 1.00 0.00 N ATOM 865 CA PHE A 99 7.790 -3.948 1.403 1.00 0.00 C ATOM 866 C PHE A 99 8.345 -4.778 0.240 1.00 0.00 C ATOM 867 O PHE A 99 9.175 -4.306 -0.536 1.00 0.00 O ATOM 868 CB PHE A 99 7.489 -2.489 0.958 1.00 0.00 C ATOM 869 CG PHE A 99 6.527 -2.370 -0.238 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.156 -2.557 -0.075 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.998 -2.075 -1.521 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.292 -2.463 -1.148 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.132 -1.981 -2.589 1.00 0.00 C ATOM 874 CZ PHE A 99 4.780 -2.170 -2.402 1.00 0.00 C ATOM 0 H PHE A 99 9.253 -3.097 2.647 1.00 0.00 H new ATOM 0 HA PHE A 99 6.845 -4.374 1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.067 -1.945 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.429 -2.000 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.763 -2.779 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.055 -1.919 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.233 -2.619 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.514 -1.759 -3.574 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.103 -2.088 -3.239 1.00 0.00 H new ATOM 884 N LYS A 100 7.933 -6.042 0.183 1.00 0.00 N ATOM 885 CA LYS A 100 8.343 -6.987 -0.857 1.00 0.00 C ATOM 886 C LYS A 100 7.085 -7.443 -1.633 1.00 0.00 C ATOM 887 O LYS A 100 6.000 -7.517 -1.038 1.00 0.00 O ATOM 888 CB LYS A 100 9.101 -8.177 -0.190 1.00 0.00 C ATOM 889 CG LYS A 100 8.291 -8.909 0.905 1.00 0.00 C ATOM 890 CD LYS A 100 9.058 -10.038 1.627 1.00 0.00 C ATOM 891 CE LYS A 100 10.248 -9.534 2.452 1.00 0.00 C ATOM 892 NZ LYS A 100 10.848 -10.617 3.269 1.00 0.00 N ATOM 0 H LYS A 100 7.295 -6.447 0.868 1.00 0.00 H new ATOM 0 HA LYS A 100 9.025 -6.525 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.379 -8.895 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.027 -7.804 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.964 -8.179 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.392 -9.329 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.371 -10.572 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.415 -10.755 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.004 -9.120 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.921 -8.724 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.649 -10.238 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.133 -10.995 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.182 -11.378 2.644 1.00 0.00 H new ATOM 906 N PRO A 101 7.187 -7.705 -2.973 1.00 0.00 N ATOM 907 CA PRO A 101 6.038 -8.176 -3.786 1.00 0.00 C ATOM 908 C PRO A 101 5.487 -9.527 -3.279 1.00 0.00 C ATOM 909 O PRO A 101 6.082 -10.577 -3.535 1.00 0.00 O ATOM 910 CB PRO A 101 6.628 -8.292 -5.223 1.00 0.00 C ATOM 911 CG PRO A 101 7.859 -7.435 -5.203 1.00 0.00 C ATOM 912 CD PRO A 101 8.411 -7.547 -3.802 1.00 0.00 C ATOM 0 HA PRO A 101 5.185 -7.499 -3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.870 -9.326 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.916 -7.944 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.586 -7.777 -5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.620 -6.400 -5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.081 -8.400 -3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.978 -6.660 -3.519 1.00 0.00 H new ATOM 920 N GLY A 102 4.377 -9.477 -2.522 1.00 0.00 N ATOM 921 CA GLY A 102 3.754 -10.682 -1.963 1.00 0.00 C ATOM 922 C GLY A 102 3.549 -10.637 -0.456 1.00 0.00 C ATOM 923 O GLY A 102 2.882 -11.519 0.085 1.00 0.00 O ATOM 0 H GLY A 102 3.894 -8.610 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.789 -10.835 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.373 -11.545 -2.208 1.00 0.00 H new ATOM 927 N VAL A 103 4.100 -9.612 0.238 1.00 0.00 N ATOM 928 CA VAL A 103 3.973 -9.499 1.716 1.00 0.00 C ATOM 929 C VAL A 103 2.574 -8.966 2.087 1.00 0.00 C ATOM 930 O VAL A 103 1.971 -8.203 1.321 1.00 0.00 O ATOM 931 CB VAL A 103 5.079 -8.559 2.349 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.917 -7.081 1.916 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.139 -8.690 3.898 1.00 0.00 C ATOM 0 H VAL A 103 4.632 -8.857 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 103 4.116 -10.499 2.125 1.00 0.00 H new ATOM 0 HB VAL A 103 6.034 -8.905 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.700 -6.479 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.996 -7.009 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.941 -6.713 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.911 -8.028 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.174 -8.414 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.374 -9.720 4.167 1.00 0.00 H new ATOM 943 N GLU A 104 2.056 -9.394 3.244 1.00 0.00 N ATOM 944 CA GLU A 104 0.843 -8.827 3.817 1.00 0.00 C ATOM 945 C GLU A 104 1.196 -7.512 4.521 1.00 0.00 C ATOM 946 O GLU A 104 1.975 -7.500 5.479 1.00 0.00 O ATOM 947 CB GLU A 104 0.177 -9.813 4.794 1.00 0.00 C ATOM 948 CG GLU A 104 -0.300 -11.131 4.152 1.00 0.00 C ATOM 949 CD GLU A 104 -1.165 -11.959 5.109 1.00 0.00 C ATOM 950 OE1 GLU A 104 -2.376 -11.656 5.221 1.00 0.00 O ATOM 951 OE2 GLU A 104 -0.648 -12.880 5.784 1.00 0.00 O ATOM 0 H GLU A 104 2.469 -10.141 3.803 1.00 0.00 H new ATOM 0 HA GLU A 104 0.126 -8.631 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.883 -10.047 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.677 -9.321 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.870 -10.909 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.566 -11.719 3.846 1.00 0.00 H new ATOM 958 N VAL A 105 0.641 -6.410 4.003 1.00 0.00 N ATOM 959 CA VAL A 105 0.870 -5.057 4.524 1.00 0.00 C ATOM 960 C VAL A 105 -0.340 -4.555 5.315 1.00 0.00 C ATOM 961 O VAL A 105 -1.475 -5.023 5.126 1.00 0.00 O ATOM 962 CB VAL A 105 1.201 -4.030 3.366 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.562 -4.340 2.712 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.076 -3.964 2.298 1.00 0.00 C ATOM 0 H VAL A 105 0.012 -6.433 3.200 1.00 0.00 H new ATOM 0 HA VAL A 105 1.731 -5.121 5.189 1.00 0.00 H new ATOM 0 HB VAL A 105 1.263 -3.046 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.759 -3.616 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.349 -4.279 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.542 -5.344 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.350 -3.246 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.057 -4.948 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.856 -3.652 2.770 1.00 0.00 H new ATOM 974 N ILE A 106 -0.074 -3.610 6.225 1.00 0.00 N ATOM 975 CA ILE A 106 -1.094 -2.850 6.943 1.00 0.00 C ATOM 976 C ILE A 106 -0.913 -1.381 6.543 1.00 0.00 C ATOM 977 O ILE A 106 0.072 -0.742 6.921 1.00 0.00 O ATOM 978 CB ILE A 106 -0.961 -2.996 8.507 1.00 0.00 C ATOM 979 CG1 ILE A 106 -0.779 -4.494 8.918 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.181 -2.352 9.223 1.00 0.00 C ATOM 981 CD1 ILE A 106 -0.648 -4.743 10.414 1.00 0.00 C ATOM 0 H ILE A 106 0.877 -3.350 6.485 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.082 -3.229 6.680 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.067 -2.461 8.826 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.630 -5.063 8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.109 -4.885 8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.070 -2.463 10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.233 -1.293 8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.096 -2.848 8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.526 -5.811 10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.221 -4.208 10.797 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.545 -4.389 10.922 1.00 0.00 H new ATOM 993 N ILE A 107 -1.837 -0.869 5.737 1.00 0.00 N ATOM 994 CA ILE A 107 -1.801 0.522 5.253 1.00 0.00 C ATOM 995 C ILE A 107 -2.886 1.348 5.953 1.00 0.00 C ATOM 996 O ILE A 107 -3.986 0.856 6.206 1.00 0.00 O ATOM 997 CB ILE A 107 -1.985 0.599 3.692 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.316 -0.091 3.249 1.00 0.00 C ATOM 999 CG2 ILE A 107 -0.768 -0.024 2.963 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -3.652 0.044 1.782 1.00 0.00 C ATOM 0 H ILE A 107 -2.637 -1.402 5.396 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.820 0.934 5.492 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.045 1.651 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.257 -1.151 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.136 0.327 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.917 0.040 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.137 0.518 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.666 -1.070 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -4.592 -0.468 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.749 1.099 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.857 -0.402 1.184 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.560 2.595 6.284 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.504 3.541 6.899 1.00 0.00 C ATOM 1014 C GLU A 108 -3.670 4.725 5.960 1.00 0.00 C ATOM 1015 O GLU A 108 -2.692 5.423 5.678 1.00 0.00 O ATOM 1016 CB GLU A 108 -2.976 4.026 8.265 1.00 0.00 C ATOM 1017 CG GLU A 108 -2.714 2.914 9.288 1.00 0.00 C ATOM 1018 CD GLU A 108 -2.065 3.456 10.572 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -0.888 3.872 10.514 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -2.726 3.499 11.625 1.00 0.00 O ATOM 0 H GLU A 108 -1.630 2.985 6.135 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.462 3.048 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.050 4.578 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.696 4.727 8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.654 2.421 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.065 2.159 8.845 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.892 4.938 5.470 1.00 0.00 N ATOM 1028 CA GLY A 109 -5.177 6.039 4.557 1.00 0.00 C ATOM 1029 C GLY A 109 -6.656 6.193 4.290 1.00 0.00 C ATOM 1030 O GLY A 109 -7.468 5.848 5.143 1.00 0.00 O ATOM 0 H GLY A 109 -5.701 4.358 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.787 6.966 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.655 5.871 3.615 1.00 0.00 H new ATOM 1034 N GLY A 110 -7.014 6.671 3.093 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.414 6.882 2.745 1.00 0.00 C ATOM 1036 C GLY A 110 -8.627 7.006 1.250 1.00 0.00 C ATOM 1037 O GLY A 110 -7.769 7.532 0.535 1.00 0.00 O ATOM 0 H GLY A 110 -6.353 6.917 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.009 6.052 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.775 7.785 3.237 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.774 6.499 0.786 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.197 6.588 -0.616 1.00 0.00 C ATOM 1043 C LEU A 111 -10.988 7.894 -0.808 1.00 0.00 C ATOM 1044 O LEU A 111 -12.135 8.013 -0.348 1.00 0.00 O ATOM 1045 CB LEU A 111 -11.067 5.348 -0.982 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.537 5.246 -2.466 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.339 5.129 -3.426 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -12.527 4.073 -2.657 1.00 0.00 C ATOM 0 H LEU A 111 -10.443 6.009 1.380 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.329 6.597 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.500 4.449 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.950 5.349 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.064 6.168 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.700 5.060 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.704 6.009 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.764 4.236 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.838 4.026 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.040 3.138 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.401 4.228 -2.025 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.349 8.886 -1.453 1.00 0.00 N ATOM 1061 CA ALA A 112 -10.902 10.240 -1.589 1.00 0.00 C ATOM 1062 C ALA A 112 -11.885 10.326 -2.780 1.00 0.00 C ATOM 1063 O ALA A 112 -11.620 9.722 -3.828 1.00 0.00 O ATOM 1064 CB ALA A 112 -9.756 11.253 -1.754 1.00 0.00 C ATOM 0 H ALA A 112 -9.436 8.769 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.462 10.479 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.169 12.257 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.107 11.214 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.179 11.007 -2.645 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.051 11.059 -2.625 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.024 11.298 -3.730 1.00 0.00 C ATOM 1072 C PRO A 113 -13.391 12.048 -4.930 1.00 0.00 C ATOM 1073 O PRO A 113 -13.360 13.285 -4.971 1.00 0.00 O ATOM 1074 CB PRO A 113 -15.153 12.135 -3.051 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.012 11.843 -1.591 1.00 0.00 C ATOM 1076 CD PRO A 113 -13.528 11.683 -1.359 1.00 0.00 C ATOM 0 HA PRO A 113 -14.389 10.368 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -15.035 13.199 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.137 11.846 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.420 12.653 -0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.553 10.937 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.043 12.642 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.321 11.051 -0.496 1.00 0.00 H new ATOM 1084 N GLY A 114 -12.868 11.267 -5.882 1.00 0.00 N ATOM 1085 CA GLY A 114 -12.152 11.785 -7.053 1.00 0.00 C ATOM 1086 C GLY A 114 -11.085 10.803 -7.501 1.00 0.00 C ATOM 1087 O GLY A 114 -10.910 10.552 -8.700 1.00 0.00 O ATOM 0 H GLY A 114 -12.930 10.249 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.855 11.964 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.694 12.744 -6.811 1.00 0.00 H new ATOM 1091 N GLU A 115 -10.367 10.243 -6.514 1.00 0.00 N ATOM 1092 CA GLU A 115 -9.288 9.270 -6.745 1.00 0.00 C ATOM 1093 C GLU A 115 -9.818 7.831 -6.615 1.00 0.00 C ATOM 1094 O GLU A 115 -10.500 7.499 -5.645 1.00 0.00 O ATOM 1095 CB GLU A 115 -8.107 9.487 -5.755 1.00 0.00 C ATOM 1096 CG GLU A 115 -7.277 10.777 -5.953 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.005 12.061 -5.518 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -7.954 12.400 -4.319 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.627 12.733 -6.366 1.00 0.00 O ATOM 0 H GLU A 115 -10.520 10.454 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.919 9.425 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.506 9.489 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.435 8.632 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.348 10.689 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.005 10.864 -7.005 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.499 7.001 -7.624 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.726 5.536 -7.592 1.00 0.00 C ATOM 1108 C ASP A 116 -8.671 4.843 -6.697 1.00 0.00 C ATOM 1109 O ASP A 116 -8.863 3.705 -6.240 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.702 4.959 -9.039 1.00 0.00 C ATOM 1111 CG ASP A 116 -9.921 3.431 -9.107 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -11.029 2.967 -8.747 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -8.999 2.689 -9.526 1.00 0.00 O ATOM 0 H ASP A 116 -9.073 7.325 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.708 5.340 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.473 5.453 -9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -8.744 5.200 -9.500 1.00 0.00 H new ATOM 1118 N THR A 117 -7.579 5.564 -6.416 1.00 0.00 N ATOM 1119 CA THR A 117 -6.481 5.064 -5.589 1.00 0.00 C ATOM 1120 C THR A 117 -6.774 5.334 -4.094 1.00 0.00 C ATOM 1121 O THR A 117 -7.230 6.427 -3.721 1.00 0.00 O ATOM 1122 CB THR A 117 -5.105 5.682 -6.031 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.029 5.083 -5.301 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.037 7.208 -5.863 1.00 0.00 C ATOM 0 H THR A 117 -7.434 6.514 -6.758 1.00 0.00 H new ATOM 0 HA THR A 117 -6.404 3.986 -5.731 1.00 0.00 H new ATOM 0 HB THR A 117 -5.011 5.467 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.311 4.208 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.060 7.567 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.814 7.676 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.189 7.466 -4.815 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.570 4.301 -3.251 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.651 4.405 -1.793 1.00 0.00 C ATOM 1134 C PHE A 118 -5.349 5.079 -1.324 1.00 0.00 C ATOM 1135 O PHE A 118 -4.267 4.484 -1.399 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.815 2.990 -1.165 1.00 0.00 C ATOM 1137 CG PHE A 118 -7.011 2.970 0.355 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -8.289 3.033 0.914 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -5.919 2.875 1.225 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -8.466 3.005 2.285 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -6.100 2.847 2.593 1.00 0.00 C ATOM 1142 CZ PHE A 118 -7.372 2.909 3.125 1.00 0.00 C ATOM 0 H PHE A 118 -6.342 3.361 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.514 4.993 -1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.669 2.499 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.934 2.397 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.151 3.105 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.919 2.823 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -9.461 3.058 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -5.245 2.776 3.248 1.00 0.00 H new ATOM 0 HZ PHE A 118 -7.513 2.883 4.195 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.469 6.320 -0.860 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.321 7.194 -0.599 1.00 0.00 C ATOM 1154 C LYS A 119 -3.789 6.925 0.821 1.00 0.00 C ATOM 1155 O LYS A 119 -4.299 7.476 1.803 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.754 8.673 -0.792 1.00 0.00 C ATOM 1157 CG LYS A 119 -5.584 8.917 -2.082 1.00 0.00 C ATOM 1158 CD LYS A 119 -6.037 10.379 -2.258 1.00 0.00 C ATOM 1159 CE LYS A 119 -4.872 11.332 -2.568 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.349 12.709 -2.827 1.00 0.00 N ATOM 0 H LYS A 119 -6.369 6.753 -0.652 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.511 6.989 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.341 8.986 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.864 9.302 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.990 8.623 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.463 8.273 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.769 10.433 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.539 10.711 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.174 11.339 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.324 10.967 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.650 13.215 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.258 12.672 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.474 13.209 -1.924 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.780 6.037 0.905 1.00 0.00 N ATOM 1175 CA ALA A 120 -2.221 5.557 2.178 1.00 0.00 C ATOM 1176 C ALA A 120 -1.165 6.529 2.719 1.00 0.00 C ATOM 1177 O ALA A 120 -0.133 6.759 2.077 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.615 4.148 2.013 1.00 0.00 C ATOM 0 H ALA A 120 -2.329 5.632 0.085 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.037 5.503 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -1.208 3.813 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.390 3.455 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.819 4.179 1.269 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.446 7.102 3.901 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.476 7.888 4.683 1.00 0.00 C ATOM 1186 C ARG A 121 0.723 7.027 5.098 1.00 0.00 C ATOM 1187 O ARG A 121 1.878 7.441 4.969 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.153 8.478 5.961 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.163 9.053 7.012 1.00 0.00 C ATOM 1190 CD ARG A 121 -0.852 9.649 8.252 1.00 0.00 C ATOM 1191 NE ARG A 121 0.132 10.012 9.288 1.00 0.00 N ATOM 1192 CZ ARG A 121 0.797 11.179 9.365 1.00 0.00 C ATOM 1193 NH1 ARG A 121 0.548 12.181 8.522 1.00 0.00 N ATOM 1194 NH2 ARG A 121 1.707 11.345 10.309 1.00 0.00 N ATOM 0 H ARG A 121 -2.362 7.032 4.345 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.124 8.702 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.841 9.268 5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.750 7.698 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.515 8.261 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.446 9.824 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.423 10.532 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.562 8.928 8.658 1.00 0.00 H new ATOM 0 HE ARG A 121 0.326 9.318 10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.161 12.073 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.067 13.056 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.899 10.592 10.970 1.00 0.00 H new ATOM 0 HH22 ARG A 121 2.217 12.226 10.376 1.00 0.00 H new ATOM 1208 N THR A 122 0.428 5.816 5.586 1.00 0.00 N ATOM 1209 CA THR A 122 1.420 4.971 6.258 1.00 0.00 C ATOM 1210 C THR A 122 1.428 3.577 5.619 1.00 0.00 C ATOM 1211 O THR A 122 0.369 3.017 5.323 1.00 0.00 O ATOM 1212 CB THR A 122 1.107 4.850 7.792 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.714 6.130 8.312 1.00 0.00 O ATOM 1214 CG2 THR A 122 2.318 4.345 8.598 1.00 0.00 C ATOM 0 H THR A 122 -0.500 5.397 5.526 1.00 0.00 H new ATOM 0 HA THR A 122 2.401 5.433 6.143 1.00 0.00 H new ATOM 0 HB THR A 122 0.300 4.125 7.896 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.518 6.048 9.269 1.00 0.00 H new ATOM 0 HG21 THR A 122 2.051 4.278 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.611 3.360 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.150 5.039 8.478 1.00 0.00 H new ATOM 1222 N LEU A 123 2.635 3.052 5.389 1.00 0.00 N ATOM 1223 CA LEU A 123 2.862 1.679 4.916 1.00 0.00 C ATOM 1224 C LEU A 123 3.552 0.895 6.035 1.00 0.00 C ATOM 1225 O LEU A 123 4.598 1.314 6.532 1.00 0.00 O ATOM 1226 CB LEU A 123 3.763 1.666 3.648 1.00 0.00 C ATOM 1227 CG LEU A 123 4.121 0.261 3.065 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.911 -0.416 2.382 1.00 0.00 C ATOM 1229 CD2 LEU A 123 5.339 0.355 2.121 1.00 0.00 C ATOM 0 H LEU A 123 3.499 3.577 5.528 1.00 0.00 H new ATOM 0 HA LEU A 123 1.905 1.227 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 123 3.265 2.242 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.692 2.185 3.884 1.00 0.00 H new ATOM 0 HG LEU A 123 4.395 -0.381 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.210 -1.389 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.109 -0.547 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.559 0.210 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.571 -0.634 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.109 1.030 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.198 0.736 2.673 1.00 0.00 H new ATOM 1241 N MET A 124 2.943 -0.216 6.440 1.00 0.00 N ATOM 1242 CA MET A 124 3.505 -1.158 7.428 1.00 0.00 C ATOM 1243 C MET A 124 3.357 -2.580 6.875 1.00 0.00 C ATOM 1244 O MET A 124 2.724 -2.773 5.843 1.00 0.00 O ATOM 1245 CB MET A 124 2.765 -1.010 8.787 1.00 0.00 C ATOM 1246 CG MET A 124 2.935 0.362 9.468 1.00 0.00 C ATOM 1247 SD MET A 124 1.761 0.631 10.818 1.00 0.00 S ATOM 1248 CE MET A 124 0.209 0.644 9.925 1.00 0.00 C ATOM 0 H MET A 124 2.028 -0.500 6.090 1.00 0.00 H new ATOM 0 HA MET A 124 4.560 -0.943 7.600 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.702 -1.192 8.628 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.123 -1.784 9.466 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.951 0.446 9.855 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.811 1.149 8.724 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.553 1.139 10.527 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.335 1.181 8.985 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.101 -0.381 9.719 1.00 0.00 H new ATOM 1258 N THR A 125 3.972 -3.561 7.540 1.00 0.00 N ATOM 1259 CA THR A 125 3.828 -4.993 7.204 1.00 0.00 C ATOM 1260 C THR A 125 3.497 -5.803 8.472 1.00 0.00 C ATOM 1261 O THR A 125 3.919 -5.442 9.573 1.00 0.00 O ATOM 1262 CB THR A 125 5.139 -5.551 6.555 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.258 -5.243 7.395 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.391 -4.980 5.146 1.00 0.00 C ATOM 0 H THR A 125 4.590 -3.390 8.333 1.00 0.00 H new ATOM 0 HA THR A 125 3.014 -5.091 6.485 1.00 0.00 H new ATOM 0 HB THR A 125 5.016 -6.630 6.456 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.090 -5.460 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.312 -5.400 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 125 4.558 -5.240 4.494 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.482 -3.895 5.204 1.00 0.00 H new ATOM 1272 N LYS A 126 2.733 -6.899 8.290 1.00 0.00 N ATOM 1273 CA LYS A 126 2.431 -7.866 9.363 1.00 0.00 C ATOM 1274 C LYS A 126 3.711 -8.620 9.768 1.00 0.00 C ATOM 1275 O LYS A 126 3.890 -8.990 10.933 1.00 0.00 O ATOM 1276 CB LYS A 126 1.343 -8.869 8.895 1.00 0.00 C ATOM 1277 CG LYS A 126 0.005 -8.225 8.471 1.00 0.00 C ATOM 1278 CD LYS A 126 -1.072 -9.283 8.140 1.00 0.00 C ATOM 1279 CE LYS A 126 -2.365 -8.675 7.577 1.00 0.00 C ATOM 1280 NZ LYS A 126 -3.369 -9.725 7.259 1.00 0.00 N ATOM 0 H LYS A 126 2.308 -7.138 7.394 1.00 0.00 H new ATOM 0 HA LYS A 126 2.052 -7.323 10.229 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.735 -9.443 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.150 -9.576 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.356 -7.580 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.169 -7.591 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.666 -9.991 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.307 -9.848 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.785 -7.976 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.138 -8.103 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -4.236 -9.278 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.983 -10.367 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.591 -10.265 8.120 1.00 0.00 H new ATOM 1294 N CYS A 127 4.592 -8.842 8.779 1.00 0.00 N ATOM 1295 CA CYS A 127 5.925 -9.420 8.985 1.00 0.00 C ATOM 1296 C CYS A 127 6.991 -8.386 8.562 1.00 0.00 C ATOM 1297 O CYS A 127 7.204 -8.196 7.353 1.00 0.00 O ATOM 1298 CB CYS A 127 6.075 -10.734 8.175 1.00 0.00 C ATOM 1299 SG CYS A 127 7.664 -11.567 8.401 1.00 0.00 S ATOM 0 H CYS A 127 4.394 -8.622 7.803 1.00 0.00 H new ATOM 0 HA CYS A 127 6.061 -9.663 10.039 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.275 -11.417 8.461 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.941 -10.512 7.116 1.00 0.00 H new ATOM 0 HG CYS A 127 7.690 -12.653 7.686 1.00 0.00 H new ATOM 1305 N PRO A 128 7.641 -7.653 9.541 1.00 0.00 N ATOM 1306 CA PRO A 128 8.785 -6.742 9.249 1.00 0.00 C ATOM 1307 C PRO A 128 9.997 -7.488 8.646 1.00 0.00 C ATOM 1308 O PRO A 128 10.048 -8.726 8.686 1.00 0.00 O ATOM 1309 CB PRO A 128 9.135 -6.121 10.631 1.00 0.00 C ATOM 1310 CG PRO A 128 7.905 -6.317 11.460 1.00 0.00 C ATOM 1311 CD PRO A 128 7.300 -7.623 10.989 1.00 0.00 C ATOM 0 HA PRO A 128 8.524 -5.994 8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.997 -6.614 11.080 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.385 -5.064 10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.150 -6.359 12.521 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.207 -5.491 11.327 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.722 -8.477 11.520 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.222 -7.649 11.149 1.00 0.00 H new ATOM 1319 N LEU A 129 10.969 -6.711 8.114 1.00 0.00 N ATOM 1320 CA LEU A 129 12.162 -7.237 7.409 1.00 0.00 C ATOM 1321 C LEU A 129 12.954 -8.195 8.320 1.00 0.00 C ATOM 1322 O LEU A 129 13.657 -7.758 9.238 1.00 0.00 O ATOM 1323 CB LEU A 129 13.052 -6.055 6.925 1.00 0.00 C ATOM 1324 CG LEU A 129 14.263 -6.428 6.015 1.00 0.00 C ATOM 1325 CD1 LEU A 129 13.801 -7.042 4.673 1.00 0.00 C ATOM 1326 CD2 LEU A 129 15.171 -5.199 5.786 1.00 0.00 C ATOM 0 H LEU A 129 10.947 -5.692 8.162 1.00 0.00 H new ATOM 0 HA LEU A 129 11.838 -7.805 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.421 -5.351 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 129 13.432 -5.531 7.802 1.00 0.00 H new ATOM 0 HG LEU A 129 14.846 -7.190 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.672 -7.289 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.225 -7.947 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.179 -6.323 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 129 16.010 -5.480 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 129 14.598 -4.408 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 129 15.547 -4.841 6.744 1.00 0.00 H new ATOM 1338 N GLU A 130 12.772 -9.507 8.092 1.00 0.00 N ATOM 1339 CA GLU A 130 13.335 -10.569 8.949 1.00 0.00 C ATOM 1340 C GLU A 130 14.307 -11.419 8.104 1.00 0.00 C ATOM 1341 O GLU A 130 15.532 -11.227 8.227 1.00 0.00 O ATOM 1342 CB GLU A 130 12.168 -11.405 9.585 1.00 0.00 C ATOM 1343 CG GLU A 130 12.544 -12.298 10.809 1.00 0.00 C ATOM 1344 CD GLU A 130 13.110 -13.689 10.453 1.00 0.00 C ATOM 1345 OE1 GLU A 130 12.307 -14.627 10.251 1.00 0.00 O ATOM 1346 OE2 GLU A 130 14.346 -13.849 10.364 1.00 0.00 O ATOM 0 H GLU A 130 12.229 -9.864 7.306 1.00 0.00 H new ATOM 0 HA GLU A 130 13.903 -10.151 9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 130 11.382 -10.716 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.745 -12.046 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 130 13.279 -11.768 11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.657 -12.431 11.429 1.00 0.00 H new TER 1353 GLU A 130