USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 870 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 57 THR OG1 : rot 86:sc= 1.48 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -2.33 K(o=-0.84,f=-5.1!) USER MOD Set 2.1: A 73 THR OG1 : rot -77:sc= 0.355 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.562 X(o=-0.21,f=-0.37) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 0.766 (180deg=-0.0129!) USER MOD Single : A 44 MET CE :methyl -109:sc= -0.747 (180deg=-2.76!) USER MOD Single : A 45 MET CE :methyl -120:sc= -8.64! (180deg=-10.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.1) USER MOD Single : A 52 THR OG1 : rot -141:sc= 0.431 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -169:sc=-0.00807 (180deg=-0.14) USER MOD Single : A 60 GLN : amide:sc= -0.389! K(o=-0.39!,f=-3.5) USER MOD Single : A 61 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.073) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 1.3 (180deg=0.88) USER MOD Single : A 71 GLN :FLIP amide:sc= -7.79! C(o=-8.9!,f=-7.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -154:sc= -0.155 (180deg=-0.696) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.15 F(o=-2.2!,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.44) USER MOD Single : A 97 LYS NZ :NH3+ -115:sc= -0.661 (180deg=-2.24!) USER MOD Single : A 99 CYS SG : rot 40:sc= 1.19 USER MOD Single : A 100 MET CE :methyl -119:sc= -1.96 (180deg=-3.25!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -23:sc= -0.527 USER MOD Single : A 110 LYS NZ :NH3+ -118:sc= 0.532 (180deg=-0.0275) USER MOD Single : A 112 CYS SG : rot 108:sc= -0.0059 USER MOD Single : A 133 GLN : amide:sc= -1.23! K(o=-1.2!,f=-1.9) USER MOD Single : A 134 LYS NZ :NH3+ -155:sc= -1.73! (180deg=-3.66!) USER MOD Single : A 138 LYS NZ :NH3+ -156:sc= 2.28 (180deg=1.73) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -31.297 6.136 -3.618 1.00 15.50 N ATOM 2 CA MET A 29 -30.452 5.319 -2.715 1.00 14.89 C ATOM 3 C MET A 29 -30.821 3.852 -2.834 1.00 14.63 C ATOM 4 O MET A 29 -30.018 2.979 -2.510 1.00 14.97 O ATOM 5 CB MET A 29 -30.597 5.774 -1.261 1.00 14.83 C ATOM 6 CG MET A 29 -30.010 7.147 -0.990 1.00 15.02 C ATOM 7 SD MET A 29 -30.183 7.646 0.734 1.00 15.45 S ATOM 8 CE MET A 29 -29.388 9.249 0.694 1.00 15.28 C ATOM 0 HA MET A 29 -29.413 5.454 -3.015 1.00 14.89 H new ATOM 0 HB2 MET A 29 -31.654 5.782 -0.996 1.00 14.83 H new ATOM 0 HB3 MET A 29 -30.111 5.046 -0.612 1.00 14.83 H new ATOM 0 HG2 MET A 29 -28.954 7.147 -1.260 1.00 15.02 H new ATOM 0 HG3 MET A 29 -30.502 7.881 -1.628 1.00 15.02 H new ATOM 0 HE1 MET A 29 -29.412 9.692 1.690 1.00 15.28 H new ATOM 0 HE2 MET A 29 -28.353 9.134 0.373 1.00 15.28 H new ATOM 0 HE3 MET A 29 -29.914 9.899 -0.005 1.00 15.28 H new ATOM 20 N GLU A 30 -32.056 3.598 -3.275 1.00 14.20 N ATOM 21 CA GLU A 30 -32.522 2.260 -3.654 1.00 14.13 C ATOM 22 C GLU A 30 -32.771 1.359 -2.445 1.00 14.36 C ATOM 23 O GLU A 30 -33.815 0.713 -2.362 1.00 14.15 O ATOM 24 CB GLU A 30 -31.552 1.578 -4.633 1.00 13.38 C ATOM 25 CG GLU A 30 -31.511 2.206 -6.025 1.00 12.84 C ATOM 26 CD GLU A 30 -30.829 3.563 -6.059 1.00 13.13 C ATOM 27 OE1 GLU A 30 -31.512 4.580 -5.827 1.00 13.36 O ATOM 28 OE2 GLU A 30 -29.607 3.617 -6.316 1.00 13.30 O ATOM 0 H GLU A 30 -32.767 4.321 -3.380 1.00 14.20 H new ATOM 0 HA GLU A 30 -33.478 2.407 -4.156 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -30.549 1.603 -4.207 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -31.831 0.529 -4.730 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -30.991 1.530 -6.704 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -32.530 2.311 -6.397 1.00 12.84 H new ATOM 35 N CYS A 31 -31.809 1.321 -1.522 1.00 14.95 N ATOM 36 CA CYS A 31 -31.897 0.519 -0.299 1.00 15.43 C ATOM 37 C CYS A 31 -31.718 -0.971 -0.596 1.00 15.40 C ATOM 38 O CYS A 31 -30.777 -1.599 -0.104 1.00 15.27 O ATOM 39 CB CYS A 31 -33.219 0.780 0.440 1.00 16.40 C ATOM 40 SG CYS A 31 -33.470 -0.240 1.911 1.00 17.05 S ATOM 0 H CYS A 31 -30.940 1.849 -1.602 1.00 14.95 H new ATOM 0 HA CYS A 31 -31.081 0.826 0.356 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -33.257 1.830 0.731 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -34.046 0.610 -0.250 1.00 16.40 H new ATOM 0 HG CYS A 31 -34.610 0.061 2.458 1.00 17.05 H new ATOM 46 N ALA A 32 -32.605 -1.532 -1.410 1.00 15.67 N ATOM 47 CA ALA A 32 -32.532 -2.945 -1.757 1.00 15.86 C ATOM 48 C ALA A 32 -31.515 -3.179 -2.868 1.00 15.04 C ATOM 49 O ALA A 32 -30.446 -3.745 -2.633 1.00 15.00 O ATOM 50 CB ALA A 32 -33.902 -3.466 -2.163 1.00 16.57 C ATOM 0 H ALA A 32 -33.382 -1.030 -1.841 1.00 15.67 H new ATOM 0 HA ALA A 32 -32.202 -3.496 -0.876 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -33.828 -4.523 -2.419 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -34.599 -3.341 -1.334 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -34.262 -2.908 -3.027 1.00 16.57 H new ATOM 56 N ASP A 33 -31.835 -2.719 -4.070 1.00 14.54 N ATOM 57 CA ASP A 33 -30.929 -2.876 -5.201 1.00 13.85 C ATOM 58 C ASP A 33 -30.161 -1.585 -5.436 1.00 12.87 C ATOM 59 O ASP A 33 -30.363 -0.890 -6.431 1.00 12.61 O ATOM 60 CB ASP A 33 -31.691 -3.295 -6.465 1.00 14.29 C ATOM 61 CG ASP A 33 -30.773 -3.500 -7.661 1.00 14.46 C ATOM 62 OD1 ASP A 33 -29.875 -4.366 -7.590 1.00 14.55 O ATOM 63 OD2 ASP A 33 -30.956 -2.807 -8.689 1.00 14.65 O ATOM 0 H ASP A 33 -32.708 -2.238 -4.287 1.00 14.54 H new ATOM 0 HA ASP A 33 -30.218 -3.668 -4.966 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -32.235 -4.218 -6.267 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -32.432 -2.533 -6.707 1.00 14.29 H new ATOM 68 N VAL A 34 -29.306 -1.252 -4.488 1.00 12.51 N ATOM 69 CA VAL A 34 -28.440 -0.097 -4.617 1.00 11.75 C ATOM 70 C VAL A 34 -27.119 -0.514 -5.247 1.00 10.55 C ATOM 71 O VAL A 34 -26.431 -1.396 -4.731 1.00 10.22 O ATOM 72 CB VAL A 34 -28.194 0.589 -3.246 1.00 12.12 C ATOM 73 CG1 VAL A 34 -27.720 -0.411 -2.198 1.00 12.06 C ATOM 74 CG2 VAL A 34 -27.198 1.734 -3.380 1.00 12.37 C ATOM 0 H VAL A 34 -29.193 -1.769 -3.616 1.00 12.51 H new ATOM 0 HA VAL A 34 -28.935 0.629 -5.261 1.00 11.75 H new ATOM 0 HB VAL A 34 -29.147 0.998 -2.911 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -27.558 0.104 -1.251 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -28.476 -1.185 -2.065 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -26.787 -0.868 -2.527 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -27.043 2.198 -2.406 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -26.249 1.349 -3.753 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -27.588 2.476 -4.077 1.00 12.37 H new ATOM 84 N PRO A 35 -26.767 0.078 -6.398 1.00 10.03 N ATOM 85 CA PRO A 35 -25.507 -0.234 -7.066 1.00 8.95 C ATOM 86 C PRO A 35 -24.324 0.118 -6.187 1.00 8.28 C ATOM 87 O PRO A 35 -24.136 1.283 -5.834 1.00 8.57 O ATOM 88 CB PRO A 35 -25.526 0.655 -8.312 1.00 9.02 C ATOM 89 CG PRO A 35 -26.960 0.991 -8.513 1.00 10.14 C ATOM 90 CD PRO A 35 -27.552 1.073 -7.137 1.00 10.65 C ATOM 0 HA PRO A 35 -25.409 -1.295 -7.297 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -24.925 1.553 -8.167 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -25.116 0.133 -9.177 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -27.070 1.936 -9.044 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -27.461 0.229 -9.111 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -27.450 2.070 -6.709 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -28.615 0.833 -7.137 1.00 10.65 H new ATOM 98 N LEU A 36 -23.525 -0.897 -5.888 1.00 7.62 N ATOM 99 CA LEU A 36 -22.395 -0.799 -4.962 1.00 7.19 C ATOM 100 C LEU A 36 -21.943 -2.193 -4.559 1.00 6.10 C ATOM 101 O LEU A 36 -22.768 -3.057 -4.255 1.00 6.10 O ATOM 102 CB LEU A 36 -22.761 -0.028 -3.680 1.00 7.86 C ATOM 103 CG LEU A 36 -22.318 1.439 -3.629 1.00 8.90 C ATOM 104 CD1 LEU A 36 -22.854 2.103 -2.372 1.00 9.33 C ATOM 105 CD2 LEU A 36 -20.800 1.542 -3.677 1.00 9.55 C ATOM 0 H LEU A 36 -23.642 -1.829 -6.286 1.00 7.62 H new ATOM 0 HA LEU A 36 -21.602 -0.260 -5.480 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -23.843 -0.065 -3.554 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -22.323 -0.549 -2.829 1.00 7.86 H new ATOM 0 HG LEU A 36 -22.724 1.955 -4.499 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -22.534 3.144 -2.346 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -23.943 2.058 -2.373 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -22.470 1.583 -1.494 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -20.505 2.591 -3.640 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -20.372 1.014 -2.824 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -20.434 1.095 -4.601 1.00 9.55 H new ATOM 117 N LEU A 37 -20.646 -2.416 -4.567 1.00 5.42 N ATOM 118 CA LEU A 37 -20.099 -3.642 -4.019 1.00 4.46 C ATOM 119 C LEU A 37 -20.042 -3.521 -2.502 1.00 3.64 C ATOM 120 O LEU A 37 -19.247 -2.743 -1.968 1.00 3.66 O ATOM 121 CB LEU A 37 -18.704 -3.929 -4.587 1.00 4.57 C ATOM 122 CG LEU A 37 -18.654 -4.165 -6.098 1.00 4.91 C ATOM 123 CD1 LEU A 37 -17.226 -4.416 -6.548 1.00 5.34 C ATOM 124 CD2 LEU A 37 -19.549 -5.334 -6.491 1.00 5.26 C ATOM 0 H LEU A 37 -19.953 -1.770 -4.944 1.00 5.42 H new ATOM 0 HA LEU A 37 -20.743 -4.476 -4.299 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -18.050 -3.091 -4.344 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -18.298 -4.807 -4.084 1.00 4.57 H new ATOM 0 HG LEU A 37 -19.023 -3.269 -6.597 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -17.208 -4.582 -7.625 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -16.610 -3.550 -6.304 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -16.833 -5.296 -6.039 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -19.499 -5.484 -7.569 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -19.212 -6.237 -5.982 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -20.578 -5.118 -6.203 1.00 5.26 H new ATOM 136 N THR A 38 -20.911 -4.267 -1.822 1.00 3.22 N ATOM 137 CA THR A 38 -21.014 -4.219 -0.369 1.00 2.61 C ATOM 138 C THR A 38 -19.648 -4.354 0.284 1.00 1.98 C ATOM 139 O THR A 38 -18.851 -5.211 -0.094 1.00 2.04 O ATOM 140 CB THR A 38 -21.960 -5.318 0.149 1.00 2.96 C ATOM 141 OG1 THR A 38 -21.690 -6.552 -0.526 1.00 3.50 O ATOM 142 CG2 THR A 38 -23.413 -4.924 -0.065 1.00 3.43 C ATOM 0 H THR A 38 -21.560 -4.919 -2.263 1.00 3.22 H new ATOM 0 HA THR A 38 -21.427 -3.247 -0.100 1.00 2.61 H new ATOM 0 HB THR A 38 -21.788 -5.443 1.218 1.00 2.96 H new ATOM 0 HG1 THR A 38 -22.294 -7.247 -0.191 1.00 3.50 H new ATOM 0 HG21 THR A 38 -24.063 -5.715 0.308 1.00 3.43 H new ATOM 0 HG22 THR A 38 -23.622 -3.999 0.472 1.00 3.43 H new ATOM 0 HG23 THR A 38 -23.597 -4.775 -1.129 1.00 3.43 H new ATOM 150 N PRO A 39 -19.372 -3.477 1.260 1.00 1.65 N ATOM 151 CA PRO A 39 -18.056 -3.349 1.895 1.00 1.21 C ATOM 152 C PRO A 39 -17.514 -4.664 2.449 1.00 1.17 C ATOM 153 O PRO A 39 -17.729 -4.993 3.614 1.00 1.62 O ATOM 154 CB PRO A 39 -18.303 -2.351 3.032 1.00 1.47 C ATOM 155 CG PRO A 39 -19.500 -1.576 2.615 1.00 1.97 C ATOM 156 CD PRO A 39 -20.348 -2.527 1.825 1.00 2.07 C ATOM 0 HA PRO A 39 -17.302 -3.030 1.175 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -18.476 -2.866 3.977 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -17.442 -1.698 3.177 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -20.042 -1.197 3.482 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -19.217 -0.713 2.013 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -21.079 -3.032 2.457 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -20.905 -2.012 1.042 1.00 2.07 H new ATOM 164 N SER A 40 -16.812 -5.411 1.610 1.00 0.90 N ATOM 165 CA SER A 40 -16.218 -6.659 2.036 1.00 0.95 C ATOM 166 C SER A 40 -14.729 -6.689 1.710 1.00 0.90 C ATOM 167 O SER A 40 -13.897 -6.746 2.617 1.00 0.97 O ATOM 168 CB SER A 40 -16.935 -7.835 1.360 1.00 1.11 C ATOM 169 OG SER A 40 -16.374 -9.077 1.747 1.00 1.74 O ATOM 0 H SER A 40 -16.643 -5.171 0.633 1.00 0.90 H new ATOM 0 HA SER A 40 -16.330 -6.746 3.117 1.00 0.95 H new ATOM 0 HB2 SER A 40 -17.993 -7.816 1.621 1.00 1.11 H new ATOM 0 HB3 SER A 40 -16.871 -7.727 0.277 1.00 1.11 H new ATOM 0 HG SER A 40 -16.854 -9.806 1.301 1.00 1.74 H new ATOM 175 N SER A 41 -14.384 -6.631 0.426 1.00 0.87 N ATOM 176 CA SER A 41 -12.985 -6.716 0.052 1.00 0.90 C ATOM 177 C SER A 41 -12.326 -5.339 -0.049 1.00 0.76 C ATOM 178 O SER A 41 -11.590 -4.940 0.847 1.00 0.83 O ATOM 179 CB SER A 41 -12.841 -7.471 -1.277 1.00 1.08 C ATOM 180 OG SER A 41 -11.480 -7.717 -1.592 1.00 1.76 O ATOM 0 H SER A 41 -15.038 -6.528 -0.350 1.00 0.87 H new ATOM 0 HA SER A 41 -12.470 -7.263 0.841 1.00 0.90 H new ATOM 0 HB2 SER A 41 -13.379 -8.417 -1.219 1.00 1.08 H new ATOM 0 HB3 SER A 41 -13.301 -6.892 -2.077 1.00 1.08 H new ATOM 0 HG SER A 41 -11.423 -8.200 -2.443 1.00 1.76 H new ATOM 186 N LYS A 42 -12.667 -4.568 -1.081 1.00 0.66 N ATOM 187 CA LYS A 42 -11.919 -3.343 -1.366 1.00 0.58 C ATOM 188 C LYS A 42 -12.486 -2.133 -0.640 1.00 0.51 C ATOM 189 O LYS A 42 -11.761 -1.182 -0.363 1.00 0.55 O ATOM 190 CB LYS A 42 -11.835 -3.065 -2.868 1.00 0.62 C ATOM 191 CG LYS A 42 -10.810 -1.988 -3.222 1.00 0.61 C ATOM 192 CD LYS A 42 -9.700 -2.533 -4.111 1.00 0.86 C ATOM 193 CE LYS A 42 -8.705 -1.444 -4.495 1.00 1.40 C ATOM 194 NZ LYS A 42 -7.550 -1.977 -5.269 1.00 1.90 N ATOM 0 H LYS A 42 -13.438 -4.762 -1.720 1.00 0.66 H new ATOM 0 HA LYS A 42 -10.910 -3.514 -0.989 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -11.578 -3.988 -3.388 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -12.816 -2.757 -3.230 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -11.310 -1.163 -3.730 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -10.377 -1.584 -2.307 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -9.178 -3.337 -3.592 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -10.134 -2.965 -5.013 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -9.214 -0.682 -5.086 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -8.339 -0.955 -3.592 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -7.219 -1.255 -5.940 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -6.778 -2.222 -4.616 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -7.845 -2.827 -5.792 1.00 1.90 H new ATOM 208 N GLU A 43 -13.771 -2.157 -0.325 1.00 0.48 N ATOM 209 CA GLU A 43 -14.397 -1.002 0.305 1.00 0.47 C ATOM 210 C GLU A 43 -13.744 -0.730 1.654 1.00 0.41 C ATOM 211 O GLU A 43 -13.652 0.417 2.090 1.00 0.42 O ATOM 212 CB GLU A 43 -15.898 -1.222 0.465 1.00 0.57 C ATOM 213 CG GLU A 43 -16.648 -0.013 1.006 1.00 1.04 C ATOM 214 CD GLU A 43 -16.492 1.224 0.137 1.00 1.57 C ATOM 215 OE1 GLU A 43 -16.697 1.120 -1.091 1.00 1.68 O ATOM 216 OE2 GLU A 43 -16.167 2.301 0.677 1.00 2.23 O ATOM 0 H GLU A 43 -14.393 -2.948 -0.491 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.253 -0.132 -0.335 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -16.320 -1.495 -0.502 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -16.061 -2.067 1.134 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -17.707 -0.258 1.092 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -16.290 0.209 2.011 1.00 1.04 H new ATOM 223 N MET A 44 -13.271 -1.796 2.298 1.00 0.41 N ATOM 224 CA MET A 44 -12.517 -1.670 3.537 1.00 0.41 C ATOM 225 C MET A 44 -11.330 -0.740 3.340 1.00 0.31 C ATOM 226 O MET A 44 -11.187 0.237 4.059 1.00 0.28 O ATOM 227 CB MET A 44 -12.033 -3.038 4.028 1.00 0.50 C ATOM 228 CG MET A 44 -13.149 -4.014 4.389 1.00 0.82 C ATOM 229 SD MET A 44 -14.218 -3.427 5.726 1.00 1.59 S ATOM 230 CE MET A 44 -15.481 -2.533 4.816 1.00 1.62 C ATOM 0 H MET A 44 -13.399 -2.756 1.979 1.00 0.41 H new ATOM 0 HA MET A 44 -13.180 -1.249 4.293 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.411 -3.488 3.254 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.399 -2.892 4.902 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.757 -4.201 3.504 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.707 -4.967 4.680 1.00 0.82 H new ATOM 0 HE1 MET A 44 -15.362 -1.463 4.984 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.382 -2.746 3.752 1.00 1.62 H new ATOM 0 HE3 MET A 44 -16.467 -2.847 5.159 1.00 1.62 H new ATOM 240 N MET A 45 -10.483 -1.037 2.359 1.00 0.28 N ATOM 241 CA MET A 45 -9.338 -0.176 2.072 1.00 0.22 C ATOM 242 C MET A 45 -9.784 1.175 1.519 1.00 0.20 C ATOM 243 O MET A 45 -9.120 2.179 1.725 1.00 0.20 O ATOM 244 CB MET A 45 -8.373 -0.821 1.079 1.00 0.24 C ATOM 245 CG MET A 45 -8.868 -0.783 -0.355 1.00 0.32 C ATOM 246 SD MET A 45 -7.615 -0.234 -1.518 1.00 0.98 S ATOM 247 CE MET A 45 -6.330 -1.442 -1.231 1.00 0.22 C ATOM 0 H MET A 45 -10.564 -1.856 1.756 1.00 0.28 H new ATOM 0 HA MET A 45 -8.822 -0.029 3.021 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.411 -0.313 1.137 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.204 -1.858 1.370 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.210 -1.777 -0.641 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.730 -0.119 -0.418 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.423 -0.936 -0.901 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.655 -2.143 -0.463 1.00 0.22 H new ATOM 0 HE3 MET A 45 -6.127 -1.984 -2.155 1.00 0.22 H new ATOM 257 N SER A 46 -10.881 1.200 0.788 1.00 0.24 N ATOM 258 CA SER A 46 -11.393 2.450 0.258 1.00 0.30 C ATOM 259 C SER A 46 -11.632 3.442 1.396 1.00 0.27 C ATOM 260 O SER A 46 -11.191 4.591 1.333 1.00 0.30 O ATOM 261 CB SER A 46 -12.668 2.192 -0.542 1.00 0.39 C ATOM 262 OG SER A 46 -13.094 3.348 -1.251 1.00 0.53 O ATOM 0 H SER A 46 -11.432 0.376 0.548 1.00 0.24 H new ATOM 0 HA SER A 46 -10.658 2.889 -0.417 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.496 1.378 -1.246 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.460 1.868 0.133 1.00 0.39 H new ATOM 0 HG SER A 46 -13.911 3.142 -1.751 1.00 0.53 H new ATOM 268 N GLN A 47 -12.325 3.001 2.436 1.00 0.25 N ATOM 269 CA GLN A 47 -12.508 3.831 3.614 1.00 0.27 C ATOM 270 C GLN A 47 -11.247 3.874 4.486 1.00 0.24 C ATOM 271 O GLN A 47 -10.792 4.952 4.860 1.00 0.29 O ATOM 272 CB GLN A 47 -13.737 3.392 4.420 1.00 0.30 C ATOM 273 CG GLN A 47 -13.746 1.927 4.816 1.00 0.33 C ATOM 274 CD GLN A 47 -15.044 1.522 5.484 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.996 1.107 4.820 1.00 1.10 O ATOM 276 NE2 GLN A 47 -15.093 1.643 6.799 1.00 1.11 N ATOM 0 H GLN A 47 -12.765 2.082 2.487 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.688 4.848 3.267 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.798 3.999 5.323 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.632 3.602 3.835 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.588 1.312 3.930 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.914 1.730 5.493 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.282 1.991 7.310 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.942 1.388 7.303 1.00 1.11 H new ATOM 285 N ALA A 48 -10.678 2.711 4.808 1.00 0.21 N ATOM 286 CA ALA A 48 -9.525 2.655 5.706 1.00 0.22 C ATOM 287 C ALA A 48 -8.263 3.218 5.068 1.00 0.20 C ATOM 288 O ALA A 48 -7.693 4.164 5.589 1.00 0.22 O ATOM 289 CB ALA A 48 -9.260 1.231 6.176 1.00 0.24 C ATOM 0 H ALA A 48 -10.993 1.804 4.464 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.779 3.278 6.563 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.397 1.222 6.842 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.133 0.855 6.709 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.060 0.595 5.314 1.00 0.24 H new ATOM 295 N LEU A 49 -7.858 2.688 3.917 1.00 0.18 N ATOM 296 CA LEU A 49 -6.568 3.038 3.325 1.00 0.18 C ATOM 297 C LEU A 49 -6.590 4.418 2.726 1.00 0.19 C ATOM 298 O LEU A 49 -5.787 5.275 3.086 1.00 0.21 O ATOM 299 CB LEU A 49 -6.200 2.071 2.201 1.00 0.23 C ATOM 300 CG LEU A 49 -5.170 1.010 2.540 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.743 0.319 1.265 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.971 1.609 3.268 1.00 0.58 C ATOM 0 H LEU A 49 -8.402 2.016 3.376 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.839 2.988 4.134 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.110 1.571 1.868 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.828 2.652 1.357 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.617 0.281 3.216 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -4.002 -0.446 1.496 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.610 -0.145 0.795 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.309 1.050 0.583 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.253 0.821 3.496 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.498 2.359 2.634 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.304 2.075 4.195 1.00 0.58 H new ATOM 314 N LYS A 50 -7.512 4.620 1.800 1.00 0.19 N ATOM 315 CA LYS A 50 -7.530 5.827 0.996 1.00 0.21 C ATOM 316 C LYS A 50 -7.669 7.070 1.879 1.00 0.23 C ATOM 317 O LYS A 50 -7.231 8.162 1.514 1.00 0.27 O ATOM 318 CB LYS A 50 -8.637 5.745 -0.058 1.00 0.22 C ATOM 319 CG LYS A 50 -8.612 4.442 -0.858 1.00 0.20 C ATOM 320 CD LYS A 50 -7.262 4.214 -1.539 1.00 0.21 C ATOM 321 CE LYS A 50 -7.014 5.193 -2.677 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.579 4.700 -3.959 1.00 0.55 N ATOM 0 H LYS A 50 -8.260 3.960 1.587 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.579 5.915 0.471 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.605 5.844 0.433 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.540 6.587 -0.744 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.829 3.605 -0.195 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.399 4.464 -1.612 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.465 4.309 -0.801 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.220 3.195 -1.924 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.458 6.157 -2.431 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.942 5.355 -2.790 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.779 5.507 -4.583 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -6.894 4.067 -4.420 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.460 4.180 -3.773 1.00 0.55 H new ATOM 336 N ALA A 51 -8.300 6.893 3.034 1.00 0.22 N ATOM 337 CA ALA A 51 -8.363 7.938 4.048 1.00 0.23 C ATOM 338 C ALA A 51 -7.076 8.007 4.881 1.00 0.23 C ATOM 339 O ALA A 51 -6.566 9.091 5.161 1.00 0.26 O ATOM 340 CB ALA A 51 -9.566 7.732 4.954 1.00 0.25 C ATOM 0 H ALA A 51 -8.778 6.030 3.292 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.470 8.889 3.526 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.596 8.522 5.704 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.479 7.762 4.359 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.487 6.764 5.449 1.00 0.25 H new ATOM 346 N THR A 52 -6.544 6.841 5.253 1.00 0.21 N ATOM 347 CA THR A 52 -5.491 6.752 6.267 1.00 0.22 C ATOM 348 C THR A 52 -4.114 7.137 5.736 1.00 0.21 C ATOM 349 O THR A 52 -3.174 7.295 6.514 1.00 0.23 O ATOM 350 CB THR A 52 -5.411 5.325 6.859 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.721 5.358 8.114 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.698 4.360 5.901 1.00 0.18 C ATOM 0 H THR A 52 -6.827 5.941 4.865 1.00 0.21 H new ATOM 0 HA THR A 52 -5.768 7.468 7.040 1.00 0.22 H new ATOM 0 HB THR A 52 -6.429 4.964 7.008 1.00 0.22 H new ATOM 0 HG1 THR A 52 -4.142 4.571 8.190 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.659 3.366 6.348 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.244 4.313 4.959 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.684 4.714 5.715 1.00 0.18 H new ATOM 360 N PHE A 53 -4.002 7.309 4.427 1.00 0.23 N ATOM 361 CA PHE A 53 -2.701 7.453 3.778 1.00 0.27 C ATOM 362 C PHE A 53 -1.837 8.548 4.389 1.00 0.32 C ATOM 363 O PHE A 53 -0.611 8.432 4.394 1.00 0.34 O ATOM 364 CB PHE A 53 -2.861 7.700 2.288 1.00 0.31 C ATOM 365 CG PHE A 53 -3.297 6.484 1.543 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.728 5.257 1.804 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.290 6.569 0.583 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.141 4.137 1.119 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.705 5.450 -0.103 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.082 4.219 0.156 1.00 0.38 C ATOM 0 H PHE A 53 -4.797 7.353 3.789 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.184 6.508 3.942 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.589 8.496 2.133 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.913 8.051 1.879 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -1.953 5.173 2.551 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.745 7.525 0.369 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.705 3.178 1.356 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.500 5.518 -0.831 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.355 3.342 -0.413 1.00 0.38 H new ATOM 380 N SER A 54 -2.467 9.580 4.932 1.00 0.36 N ATOM 381 CA SER A 54 -1.733 10.691 5.518 1.00 0.44 C ATOM 382 C SER A 54 -0.876 10.219 6.692 1.00 0.39 C ATOM 383 O SER A 54 0.065 10.896 7.082 1.00 0.46 O ATOM 384 CB SER A 54 -2.697 11.792 5.972 1.00 0.55 C ATOM 385 OG SER A 54 -1.997 12.920 6.473 1.00 1.37 O ATOM 0 H SER A 54 -3.482 9.671 4.979 1.00 0.36 H new ATOM 0 HA SER A 54 -1.072 11.100 4.754 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.326 12.095 5.135 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.360 11.401 6.744 1.00 0.55 H new ATOM 0 HG SER A 54 -2.639 13.605 6.753 1.00 1.37 H new ATOM 391 N GLY A 55 -1.210 9.057 7.245 1.00 0.31 N ATOM 392 CA GLY A 55 -0.431 8.490 8.329 1.00 0.28 C ATOM 393 C GLY A 55 1.039 8.333 7.983 1.00 0.22 C ATOM 394 O GLY A 55 1.896 8.973 8.592 1.00 0.25 O ATOM 0 H GLY A 55 -2.012 8.495 6.959 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.526 9.126 9.209 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.842 7.516 8.594 1.00 0.28 H new ATOM 398 N PHE A 56 1.335 7.493 6.997 1.00 0.15 N ATOM 399 CA PHE A 56 2.721 7.250 6.614 1.00 0.12 C ATOM 400 C PHE A 56 3.229 8.350 5.710 1.00 0.13 C ATOM 401 O PHE A 56 4.318 8.851 5.904 1.00 0.17 O ATOM 402 CB PHE A 56 2.897 5.908 5.905 1.00 0.13 C ATOM 403 CG PHE A 56 4.329 5.611 5.561 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.177 5.049 6.499 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.829 5.916 4.308 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.499 4.794 6.191 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.150 5.662 3.994 1.00 0.26 C ATOM 408 CZ PHE A 56 6.987 5.103 4.937 1.00 0.28 C ATOM 0 H PHE A 56 0.644 6.975 6.455 1.00 0.15 H new ATOM 0 HA PHE A 56 3.298 7.232 7.538 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.509 5.113 6.542 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.301 5.904 4.992 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.801 4.807 7.482 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.179 6.358 3.567 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.151 4.353 6.931 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.527 5.901 3.011 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.021 4.908 4.695 1.00 0.28 H new ATOM 418 N THR A 57 2.417 8.733 4.738 1.00 0.16 N ATOM 419 CA THR A 57 2.823 9.714 3.734 1.00 0.24 C ATOM 420 C THR A 57 3.282 11.028 4.381 1.00 0.26 C ATOM 421 O THR A 57 4.149 11.724 3.848 1.00 0.35 O ATOM 422 CB THR A 57 1.669 10.007 2.765 1.00 0.32 C ATOM 423 OG1 THR A 57 1.131 8.775 2.253 1.00 0.39 O ATOM 424 CG2 THR A 57 2.133 10.876 1.604 1.00 0.46 C ATOM 0 H THR A 57 1.467 8.380 4.619 1.00 0.16 H new ATOM 0 HA THR A 57 3.661 9.283 3.186 1.00 0.24 H new ATOM 0 HB THR A 57 0.898 10.546 3.316 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.453 8.432 2.872 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.294 11.067 0.934 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.514 11.823 1.988 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.924 10.362 1.058 1.00 0.46 H new ATOM 432 N LYS A 58 2.732 11.340 5.549 1.00 0.24 N ATOM 433 CA LYS A 58 3.087 12.578 6.233 1.00 0.31 C ATOM 434 C LYS A 58 4.416 12.400 6.960 1.00 0.29 C ATOM 435 O LYS A 58 5.259 13.301 6.974 1.00 0.31 O ATOM 436 CB LYS A 58 1.996 13.008 7.216 1.00 0.39 C ATOM 437 CG LYS A 58 2.212 14.395 7.802 1.00 0.50 C ATOM 438 CD LYS A 58 2.364 15.437 6.705 1.00 1.34 C ATOM 439 CE LYS A 58 2.466 16.843 7.270 1.00 1.93 C ATOM 440 NZ LYS A 58 1.193 17.283 7.897 1.00 2.52 N ATOM 0 H LYS A 58 2.048 10.762 6.037 1.00 0.24 H new ATOM 0 HA LYS A 58 3.185 13.365 5.486 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.032 12.984 6.708 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.946 12.284 8.029 1.00 0.39 H new ATOM 0 HG2 LYS A 58 1.370 14.657 8.442 1.00 0.50 H new ATOM 0 HG3 LYS A 58 3.102 14.393 8.431 1.00 0.50 H new ATOM 0 HD2 LYS A 58 3.254 15.217 6.116 1.00 1.34 H new ATOM 0 HD3 LYS A 58 1.512 15.379 6.028 1.00 1.34 H new ATOM 0 HE2 LYS A 58 3.266 16.880 8.009 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.736 17.536 6.473 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 1.241 18.302 8.102 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 0.403 17.097 7.246 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.043 16.759 8.782 1.00 2.52 H new ATOM 454 N GLU A 59 4.615 11.216 7.535 1.00 0.26 N ATOM 455 CA GLU A 59 5.826 10.935 8.285 1.00 0.25 C ATOM 456 C GLU A 59 6.934 10.516 7.327 1.00 0.21 C ATOM 457 O GLU A 59 8.113 10.597 7.649 1.00 0.24 O ATOM 458 CB GLU A 59 5.589 9.861 9.355 1.00 0.31 C ATOM 459 CG GLU A 59 6.369 8.580 9.135 1.00 0.43 C ATOM 460 CD GLU A 59 6.387 7.709 10.369 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.380 7.022 10.634 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.391 7.743 11.110 1.00 0.98 O ATOM 0 H GLU A 59 3.953 10.441 7.493 1.00 0.26 H new ATOM 0 HA GLU A 59 6.130 11.843 8.806 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.853 10.271 10.330 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.525 9.624 9.387 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.929 8.025 8.306 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.392 8.823 8.848 1.00 0.43 H new ATOM 469 N GLN A 60 6.530 10.064 6.151 1.00 0.19 N ATOM 470 CA GLN A 60 7.445 9.747 5.073 1.00 0.19 C ATOM 471 C GLN A 60 8.286 10.971 4.783 1.00 0.22 C ATOM 472 O GLN A 60 9.509 10.909 4.722 1.00 0.23 O ATOM 473 CB GLN A 60 6.643 9.359 3.832 1.00 0.21 C ATOM 474 CG GLN A 60 7.428 8.613 2.781 1.00 0.28 C ATOM 475 CD GLN A 60 6.556 8.225 1.612 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.354 8.005 1.760 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.149 8.144 0.445 1.00 0.26 N ATOM 0 H GLN A 60 5.549 9.906 5.918 1.00 0.19 H new ATOM 0 HA GLN A 60 8.091 8.915 5.353 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.798 8.743 4.140 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.232 10.264 3.385 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.252 9.235 2.431 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.868 7.718 3.221 1.00 0.28 H new ATOM 0 HE21 GLN A 60 8.148 8.335 0.366 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.611 7.891 -0.384 1.00 0.26 H new ATOM 486 N GLN A 61 7.597 12.090 4.655 1.00 0.28 N ATOM 487 CA GLN A 61 8.238 13.382 4.467 1.00 0.34 C ATOM 488 C GLN A 61 9.103 13.728 5.682 1.00 0.34 C ATOM 489 O GLN A 61 10.188 14.299 5.558 1.00 0.37 O ATOM 490 CB GLN A 61 7.175 14.460 4.276 1.00 0.45 C ATOM 491 CG GLN A 61 6.282 14.236 3.062 1.00 0.58 C ATOM 492 CD GLN A 61 7.074 14.073 1.778 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.392 15.051 1.104 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.392 12.835 1.426 1.00 1.12 N ATOM 0 H GLN A 61 6.578 12.131 4.678 1.00 0.28 H new ATOM 0 HA GLN A 61 8.873 13.333 3.582 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.553 14.505 5.170 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.666 15.428 4.180 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.672 13.347 3.223 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.598 15.078 2.958 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.110 12.050 2.012 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.919 12.668 0.569 1.00 1.12 H new ATOM 503 N ARG A 62 8.600 13.364 6.856 1.00 0.34 N ATOM 504 CA ARG A 62 9.264 13.647 8.127 1.00 0.39 C ATOM 505 C ARG A 62 10.573 12.862 8.239 1.00 0.36 C ATOM 506 O ARG A 62 11.615 13.416 8.590 1.00 0.41 O ATOM 507 CB ARG A 62 8.306 13.278 9.270 1.00 0.44 C ATOM 508 CG ARG A 62 8.551 14.008 10.584 1.00 0.58 C ATOM 509 CD ARG A 62 9.820 13.543 11.281 1.00 1.13 C ATOM 510 NE ARG A 62 9.685 12.192 11.826 1.00 1.93 N ATOM 511 CZ ARG A 62 10.688 11.502 12.371 1.00 2.74 C ATOM 512 NH1 ARG A 62 11.929 11.977 12.347 1.00 2.99 N ATOM 513 NH2 ARG A 62 10.450 10.318 12.914 1.00 3.73 N ATOM 0 H ARG A 62 7.717 12.863 6.956 1.00 0.34 H new ATOM 0 HA ARG A 62 9.513 14.707 8.186 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.285 13.480 8.946 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.377 12.205 9.450 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.617 15.079 10.394 1.00 0.58 H new ATOM 0 HG3 ARG A 62 7.699 13.853 11.246 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.650 13.567 10.575 1.00 1.13 H new ATOM 0 HD3 ARG A 62 10.065 14.235 12.086 1.00 1.13 H new ATOM 0 HE ARG A 62 8.767 11.750 11.787 1.00 1.93 H new ATOM 0 HH11 ARG A 62 12.122 12.878 11.909 1.00 2.99 H new ATOM 0 HH12 ARG A 62 12.688 11.441 12.767 1.00 2.99 H new ATOM 0 HH21 ARG A 62 9.503 9.938 12.914 1.00 3.73 H new ATOM 0 HH22 ARG A 62 11.213 9.786 13.332 1.00 3.73 H new ATOM 527 N LEU A 63 10.508 11.574 7.916 1.00 0.30 N ATOM 528 CA LEU A 63 11.670 10.684 7.930 1.00 0.32 C ATOM 529 C LEU A 63 12.608 10.984 6.783 1.00 0.31 C ATOM 530 O LEU A 63 13.619 10.308 6.601 1.00 0.37 O ATOM 531 CB LEU A 63 11.211 9.226 7.861 1.00 0.33 C ATOM 532 CG LEU A 63 10.472 8.720 9.098 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.783 7.399 8.805 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.438 8.567 10.262 1.00 0.65 C ATOM 0 H LEU A 63 9.643 11.113 7.635 1.00 0.30 H new ATOM 0 HA LEU A 63 12.212 10.852 8.861 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.561 9.107 6.994 1.00 0.33 H new ATOM 0 HB3 LEU A 63 12.083 8.594 7.694 1.00 0.33 H new ATOM 0 HG LEU A 63 9.711 9.451 9.369 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.262 7.054 9.698 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.065 7.535 7.996 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.526 6.658 8.510 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.898 8.206 11.137 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.218 7.853 9.996 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.891 9.532 10.488 1.00 0.65 H new ATOM 546 N GLY A 64 12.275 12.014 6.023 1.00 0.28 N ATOM 547 CA GLY A 64 13.060 12.363 4.863 1.00 0.30 C ATOM 548 C GLY A 64 12.991 11.296 3.802 1.00 0.27 C ATOM 549 O GLY A 64 13.797 11.279 2.872 1.00 0.33 O ATOM 0 H GLY A 64 11.470 12.617 6.191 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.703 13.308 4.453 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.098 12.516 5.159 1.00 0.30 H new ATOM 553 N ILE A 65 12.009 10.416 3.933 1.00 0.22 N ATOM 554 CA ILE A 65 11.845 9.332 2.998 1.00 0.20 C ATOM 555 C ILE A 65 11.354 9.888 1.668 1.00 0.21 C ATOM 556 O ILE A 65 10.434 10.709 1.636 1.00 0.23 O ATOM 557 CB ILE A 65 10.852 8.253 3.503 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.379 7.581 4.771 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.605 7.206 2.423 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.534 6.406 5.230 1.00 0.20 C ATOM 0 H ILE A 65 11.317 10.439 4.682 1.00 0.22 H new ATOM 0 HA ILE A 65 12.816 8.850 2.882 1.00 0.20 H new ATOM 0 HB ILE A 65 9.909 8.747 3.738 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.398 7.238 4.594 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.426 8.319 5.571 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.906 6.457 2.795 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.185 7.687 1.539 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.547 6.724 2.161 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.967 5.978 6.134 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.520 6.747 5.439 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.508 5.649 4.447 1.00 0.20 H new ATOM 572 N PRO A 66 12.001 9.493 0.567 1.00 0.24 N ATOM 573 CA PRO A 66 11.552 9.842 -0.783 1.00 0.27 C ATOM 574 C PRO A 66 10.062 9.564 -0.957 1.00 0.22 C ATOM 575 O PRO A 66 9.576 8.527 -0.536 1.00 0.23 O ATOM 576 CB PRO A 66 12.361 8.897 -1.658 1.00 0.35 C ATOM 577 CG PRO A 66 13.610 8.624 -0.895 1.00 0.26 C ATOM 578 CD PRO A 66 13.237 8.688 0.557 1.00 0.31 C ATOM 0 HA PRO A 66 11.692 10.897 -1.018 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.812 7.976 -1.855 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.582 9.349 -2.625 1.00 0.35 H new ATOM 0 HG2 PRO A 66 14.015 7.645 -1.150 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.379 9.359 -1.132 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.070 7.694 0.972 1.00 0.31 H new ATOM 0 HD3 PRO A 66 14.023 9.154 1.152 1.00 0.31 H new ATOM 586 N LYS A 67 9.343 10.518 -1.528 1.00 0.25 N ATOM 587 CA LYS A 67 7.900 10.401 -1.731 1.00 0.27 C ATOM 588 C LYS A 67 7.506 9.198 -2.600 1.00 0.25 C ATOM 589 O LYS A 67 6.674 8.383 -2.204 1.00 0.36 O ATOM 590 CB LYS A 67 7.394 11.680 -2.379 1.00 0.43 C ATOM 591 CG LYS A 67 5.893 11.718 -2.566 1.00 1.04 C ATOM 592 CD LYS A 67 5.473 12.942 -3.357 1.00 1.15 C ATOM 593 CE LYS A 67 5.904 12.844 -4.814 1.00 1.67 C ATOM 594 NZ LYS A 67 5.657 14.111 -5.552 1.00 2.42 N ATOM 0 H LYS A 67 9.739 11.396 -1.865 1.00 0.25 H new ATOM 0 HA LYS A 67 7.444 10.243 -0.753 1.00 0.27 H new ATOM 0 HB2 LYS A 67 7.696 12.530 -1.767 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.875 11.799 -3.350 1.00 0.43 H new ATOM 0 HG2 LYS A 67 5.565 10.816 -3.083 1.00 1.04 H new ATOM 0 HG3 LYS A 67 5.402 11.724 -1.593 1.00 1.04 H new ATOM 0 HD2 LYS A 67 4.390 13.056 -3.304 1.00 1.15 H new ATOM 0 HD3 LYS A 67 5.909 13.834 -2.907 1.00 1.15 H new ATOM 0 HE2 LYS A 67 6.964 12.596 -4.863 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.364 12.031 -5.298 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 5.836 13.963 -6.566 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 4.669 14.406 -5.414 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 6.293 14.851 -5.193 1.00 2.42 H new ATOM 608 N ASP A 68 8.062 9.124 -3.800 1.00 0.28 N ATOM 609 CA ASP A 68 7.779 8.014 -4.712 1.00 0.28 C ATOM 610 C ASP A 68 8.361 6.725 -4.171 1.00 0.21 C ATOM 611 O ASP A 68 9.143 6.739 -3.230 1.00 0.23 O ATOM 612 CB ASP A 68 8.352 8.300 -6.108 1.00 0.39 C ATOM 613 CG ASP A 68 7.655 9.437 -6.825 1.00 1.12 C ATOM 614 OD1 ASP A 68 7.829 10.598 -6.407 1.00 1.65 O ATOM 615 OD2 ASP A 68 6.904 9.169 -7.785 1.00 1.88 O ATOM 0 H ASP A 68 8.713 9.817 -4.170 1.00 0.28 H new ATOM 0 HA ASP A 68 6.697 7.908 -4.793 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.412 8.535 -6.016 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.277 7.398 -6.715 1.00 0.39 H new ATOM 620 N PRO A 69 7.951 5.582 -4.722 1.00 0.19 N ATOM 621 CA PRO A 69 8.556 4.297 -4.382 1.00 0.20 C ATOM 622 C PRO A 69 9.874 4.047 -5.107 1.00 0.26 C ATOM 623 O PRO A 69 10.829 3.596 -4.503 1.00 0.65 O ATOM 624 CB PRO A 69 7.511 3.295 -4.852 1.00 0.40 C ATOM 625 CG PRO A 69 6.808 3.971 -5.977 1.00 0.37 C ATOM 626 CD PRO A 69 6.813 5.438 -5.653 1.00 0.22 C ATOM 0 HA PRO A 69 8.802 4.237 -3.322 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.975 2.365 -5.179 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.819 3.041 -4.049 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.314 3.780 -6.923 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.789 3.598 -6.079 1.00 0.37 H new ATOM 0 HD2 PRO A 69 6.947 6.046 -6.548 1.00 0.22 H new ATOM 0 HD3 PRO A 69 5.876 5.751 -5.193 1.00 0.22 H new ATOM 634 N ARG A 70 9.920 4.422 -6.383 1.00 0.20 N ATOM 635 CA ARG A 70 10.955 3.979 -7.340 1.00 0.26 C ATOM 636 C ARG A 70 12.396 4.409 -7.006 1.00 0.19 C ATOM 637 O ARG A 70 13.291 4.250 -7.833 1.00 0.27 O ATOM 638 CB ARG A 70 10.603 4.406 -8.777 1.00 0.46 C ATOM 639 CG ARG A 70 9.850 5.728 -8.917 1.00 0.96 C ATOM 640 CD ARG A 70 8.350 5.538 -8.723 1.00 0.87 C ATOM 641 NE ARG A 70 7.563 6.645 -9.265 1.00 1.06 N ATOM 642 CZ ARG A 70 6.430 6.486 -9.954 1.00 1.29 C ATOM 643 NH1 ARG A 70 5.985 5.267 -10.249 1.00 1.89 N ATOM 644 NH2 ARG A 70 5.750 7.548 -10.365 1.00 1.79 N ATOM 0 H ARG A 70 9.233 5.052 -6.797 1.00 0.20 H new ATOM 0 HA ARG A 70 10.947 2.893 -7.253 1.00 0.26 H new ATOM 0 HB2 ARG A 70 11.527 4.474 -9.351 1.00 0.46 H new ATOM 0 HB3 ARG A 70 10.002 3.619 -9.232 1.00 0.46 H new ATOM 0 HG2 ARG A 70 10.226 6.442 -8.184 1.00 0.96 H new ATOM 0 HG3 ARG A 70 10.040 6.154 -9.902 1.00 0.96 H new ATOM 0 HD2 ARG A 70 8.041 4.610 -9.203 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.136 5.433 -7.659 1.00 0.87 H new ATOM 0 HE ARG A 70 7.899 7.595 -9.107 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.510 4.446 -9.949 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.119 5.154 -10.776 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.092 8.486 -10.155 1.00 1.79 H new ATOM 0 HH22 ARG A 70 4.885 7.427 -10.891 1.00 1.79 H new ATOM 658 N GLN A 71 12.619 4.946 -5.823 1.00 0.16 N ATOM 659 CA GLN A 71 13.969 5.318 -5.401 1.00 0.16 C ATOM 660 C GLN A 71 14.191 5.007 -3.915 1.00 0.15 C ATOM 661 O GLN A 71 15.106 5.537 -3.283 1.00 0.18 O ATOM 662 CB GLN A 71 14.225 6.808 -5.674 1.00 0.20 C ATOM 663 CG GLN A 71 13.554 7.740 -4.677 1.00 0.38 C ATOM 664 CD GLN A 71 12.050 7.572 -4.636 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.585 6.592 -3.865 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.318 8.281 -5.319 1.00 0.29 N flip ATOM 0 H GLN A 71 11.891 5.137 -5.134 1.00 0.16 H new ATOM 0 HA GLN A 71 14.676 4.725 -5.981 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.300 6.991 -5.661 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.873 7.050 -6.677 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.963 7.556 -3.683 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.793 8.772 -4.934 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.718 9.021 -5.896 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.309 8.130 -5.310 1.00 0.29 H new ATOM 675 N TRP A 72 13.358 4.140 -3.363 1.00 0.12 N ATOM 676 CA TRP A 72 13.448 3.770 -1.960 1.00 0.11 C ATOM 677 C TRP A 72 14.541 2.739 -1.715 1.00 0.12 C ATOM 678 O TRP A 72 15.062 2.123 -2.641 1.00 0.14 O ATOM 679 CB TRP A 72 12.113 3.159 -1.529 1.00 0.11 C ATOM 680 CG TRP A 72 11.090 4.147 -1.100 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.259 5.478 -0.896 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.726 3.861 -0.808 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.077 6.034 -0.496 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.118 5.065 -0.440 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.960 2.704 -0.833 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.773 5.143 -0.091 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.630 2.780 -0.487 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.049 3.991 -0.124 1.00 0.10 C ATOM 0 H TRP A 72 12.605 3.676 -3.871 1.00 0.12 H new ATOM 0 HA TRP A 72 13.684 4.668 -1.389 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.711 2.576 -2.358 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.294 2.464 -0.709 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.186 6.015 -1.029 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.934 7.019 -0.274 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.400 1.760 -1.119 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.321 6.081 0.195 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.027 1.884 -0.497 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.001 4.017 0.137 1.00 0.10 H new ATOM 699 N THR A 73 14.929 2.601 -0.466 1.00 0.14 N ATOM 700 CA THR A 73 15.752 1.488 -0.051 1.00 0.15 C ATOM 701 C THR A 73 14.855 0.373 0.455 1.00 0.15 C ATOM 702 O THR A 73 13.642 0.577 0.575 1.00 0.16 O ATOM 703 CB THR A 73 16.714 1.913 1.068 1.00 0.18 C ATOM 704 OG1 THR A 73 15.963 2.454 2.168 1.00 0.19 O ATOM 705 CG2 THR A 73 17.696 2.956 0.567 1.00 0.21 C ATOM 0 H THR A 73 14.686 3.250 0.283 1.00 0.14 H new ATOM 0 HA THR A 73 16.339 1.145 -0.903 1.00 0.15 H new ATOM 0 HB THR A 73 17.273 1.036 1.395 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.672 3.364 1.949 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.367 3.242 1.377 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.277 2.542 -0.257 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.150 3.834 0.221 1.00 0.21 H new ATOM 713 N GLU A 74 15.424 -0.787 0.763 1.00 0.17 N ATOM 714 CA GLU A 74 14.642 -1.881 1.331 1.00 0.20 C ATOM 715 C GLU A 74 13.944 -1.414 2.601 1.00 0.19 C ATOM 716 O GLU A 74 12.802 -1.781 2.870 1.00 0.28 O ATOM 717 CB GLU A 74 15.532 -3.084 1.643 1.00 0.29 C ATOM 718 CG GLU A 74 16.189 -3.696 0.419 1.00 1.25 C ATOM 719 CD GLU A 74 17.074 -4.873 0.769 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.255 -4.660 1.108 1.00 1.99 O ATOM 721 OE2 GLU A 74 16.588 -6.023 0.706 1.00 2.67 O ATOM 0 H GLU A 74 16.414 -0.994 0.631 1.00 0.17 H new ATOM 0 HA GLU A 74 13.896 -2.185 0.597 1.00 0.20 H new ATOM 0 HB2 GLU A 74 16.308 -2.778 2.345 1.00 0.29 H new ATOM 0 HB3 GLU A 74 14.934 -3.847 2.142 1.00 0.29 H new ATOM 0 HG2 GLU A 74 15.418 -4.019 -0.281 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.783 -2.937 -0.090 1.00 1.25 H new ATOM 728 N THR A 75 14.631 -0.560 3.353 1.00 0.18 N ATOM 729 CA THR A 75 14.105 -0.036 4.597 1.00 0.21 C ATOM 730 C THR A 75 12.870 0.821 4.348 1.00 0.17 C ATOM 731 O THR A 75 11.851 0.656 5.015 1.00 0.20 O ATOM 732 CB THR A 75 15.167 0.805 5.328 1.00 0.29 C ATOM 733 OG1 THR A 75 16.406 0.090 5.373 1.00 0.47 O ATOM 734 CG2 THR A 75 14.719 1.135 6.744 1.00 0.47 C ATOM 0 H THR A 75 15.562 -0.217 3.115 1.00 0.18 H new ATOM 0 HA THR A 75 13.829 -0.887 5.220 1.00 0.21 H new ATOM 0 HB THR A 75 15.301 1.738 4.780 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.079 0.630 5.838 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.487 1.730 7.239 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.788 1.701 6.709 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.561 0.211 7.300 1.00 0.47 H new ATOM 742 N HIS A 76 12.946 1.693 3.345 1.00 0.14 N ATOM 743 CA HIS A 76 11.879 2.658 3.088 1.00 0.12 C ATOM 744 C HIS A 76 10.653 1.954 2.520 1.00 0.10 C ATOM 745 O HIS A 76 9.516 2.286 2.862 1.00 0.10 O ATOM 746 CB HIS A 76 12.367 3.762 2.142 1.00 0.14 C ATOM 747 CG HIS A 76 13.416 4.641 2.753 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.444 5.215 2.033 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.591 5.039 4.032 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.205 5.921 2.845 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.711 5.832 4.065 1.00 0.19 N ATOM 0 H HIS A 76 13.733 1.751 2.699 1.00 0.14 H new ATOM 0 HA HIS A 76 11.596 3.125 4.032 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.767 3.305 1.237 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.518 4.376 1.841 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.965 4.781 4.873 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.085 6.479 2.560 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.098 6.279 4.896 1.00 0.19 H new ATOM 760 N VAL A 77 10.897 0.969 1.664 1.00 0.09 N ATOM 761 CA VAL A 77 9.841 0.154 1.115 1.00 0.07 C ATOM 762 C VAL A 77 9.145 -0.608 2.236 1.00 0.08 C ATOM 763 O VAL A 77 7.937 -0.513 2.391 1.00 0.08 O ATOM 764 CB VAL A 77 10.392 -0.830 0.055 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.332 -1.839 -0.352 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.906 -0.070 -1.169 1.00 0.08 C ATOM 0 H VAL A 77 11.831 0.720 1.337 1.00 0.09 H new ATOM 0 HA VAL A 77 9.120 0.806 0.622 1.00 0.07 H new ATOM 0 HB VAL A 77 11.225 -1.374 0.500 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.744 -2.519 -1.098 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.016 -2.408 0.523 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.474 -1.315 -0.773 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.289 -0.779 -1.903 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.091 0.504 -1.610 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.705 0.608 -0.868 1.00 0.08 H new ATOM 776 N ARG A 78 9.925 -1.317 3.048 1.00 0.09 N ATOM 777 CA ARG A 78 9.372 -2.117 4.139 1.00 0.11 C ATOM 778 C ARG A 78 8.660 -1.252 5.174 1.00 0.10 C ATOM 779 O ARG A 78 7.668 -1.680 5.760 1.00 0.14 O ATOM 780 CB ARG A 78 10.465 -2.929 4.816 1.00 0.18 C ATOM 781 CG ARG A 78 11.018 -4.050 3.948 1.00 0.37 C ATOM 782 CD ARG A 78 11.931 -4.962 4.746 1.00 0.40 C ATOM 783 NE ARG A 78 13.024 -4.227 5.382 1.00 1.11 N ATOM 784 CZ ARG A 78 14.276 -4.666 5.457 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.610 -5.824 4.901 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.187 -3.941 6.088 1.00 2.21 N ATOM 0 H ARG A 78 10.941 -1.354 2.972 1.00 0.09 H new ATOM 0 HA ARG A 78 8.638 -2.793 3.700 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.280 -2.262 5.097 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.071 -3.356 5.738 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.195 -4.630 3.530 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.568 -3.626 3.108 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.349 -5.478 5.510 1.00 0.40 H new ATOM 0 HD3 ARG A 78 12.344 -5.727 4.088 1.00 0.40 H new ATOM 0 HE ARG A 78 12.811 -3.319 5.795 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.905 -6.379 4.415 1.00 1.57 H new ATOM 0 HH12 ARG A 78 15.572 -6.159 4.960 1.00 1.57 H new ATOM 0 HH21 ARG A 78 14.926 -3.051 6.513 1.00 2.21 H new ATOM 0 HH22 ARG A 78 16.150 -4.272 6.149 1.00 2.21 H new ATOM 800 N ASP A 79 9.173 -0.045 5.391 1.00 0.11 N ATOM 801 CA ASP A 79 8.528 0.936 6.265 1.00 0.12 C ATOM 802 C ASP A 79 7.084 1.122 5.846 1.00 0.11 C ATOM 803 O ASP A 79 6.141 0.937 6.626 1.00 0.12 O ATOM 804 CB ASP A 79 9.245 2.284 6.158 1.00 0.16 C ATOM 805 CG ASP A 79 10.281 2.514 7.244 1.00 0.57 C ATOM 806 OD1 ASP A 79 9.953 2.323 8.435 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.435 2.859 6.911 1.00 0.95 O ATOM 0 H ASP A 79 10.043 0.282 4.970 1.00 0.11 H new ATOM 0 HA ASP A 79 8.576 0.573 7.292 1.00 0.12 H new ATOM 0 HB2 ASP A 79 9.731 2.350 5.185 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.505 3.083 6.200 1.00 0.16 H new ATOM 812 N TRP A 80 6.926 1.431 4.580 1.00 0.10 N ATOM 813 CA TRP A 80 5.632 1.699 4.003 1.00 0.09 C ATOM 814 C TRP A 80 4.850 0.398 3.856 1.00 0.09 C ATOM 815 O TRP A 80 3.620 0.374 3.951 1.00 0.09 O ATOM 816 CB TRP A 80 5.877 2.374 2.657 1.00 0.09 C ATOM 817 CG TRP A 80 4.820 2.163 1.641 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.732 2.941 1.413 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.772 1.101 0.692 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.013 2.430 0.363 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.632 1.296 -0.089 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.588 0.002 0.431 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.289 0.437 -1.117 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.244 -0.855 -0.590 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.102 -0.632 -1.356 1.00 0.10 C ATOM 0 H TRP A 80 7.698 1.504 3.918 1.00 0.10 H new ATOM 0 HA TRP A 80 5.034 2.353 4.637 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.991 3.445 2.822 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.823 2.011 2.254 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.472 3.827 1.973 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.156 2.830 -0.019 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.476 -0.175 1.020 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.404 0.607 -1.713 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.868 -1.711 -0.800 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.856 -1.318 -2.153 1.00 0.10 H new ATOM 836 N VAL A 81 5.599 -0.681 3.668 1.00 0.10 N ATOM 837 CA VAL A 81 5.047 -2.012 3.489 1.00 0.11 C ATOM 838 C VAL A 81 4.270 -2.424 4.731 1.00 0.11 C ATOM 839 O VAL A 81 3.072 -2.707 4.677 1.00 0.11 O ATOM 840 CB VAL A 81 6.184 -3.028 3.185 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.862 -4.432 3.662 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.491 -3.060 1.699 1.00 0.14 C ATOM 0 H VAL A 81 6.618 -0.653 3.636 1.00 0.10 H new ATOM 0 HA VAL A 81 4.362 -2.003 2.641 1.00 0.11 H new ATOM 0 HB VAL A 81 7.058 -2.683 3.738 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.692 -5.097 3.422 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.704 -4.423 4.740 1.00 0.14 H new ATOM 0 HG13 VAL A 81 4.958 -4.786 3.166 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.289 -3.777 1.508 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.598 -3.356 1.149 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.807 -2.070 1.371 1.00 0.14 H new ATOM 852 N MET A 82 4.951 -2.430 5.852 1.00 0.11 N ATOM 853 CA MET A 82 4.323 -2.792 7.103 1.00 0.12 C ATOM 854 C MET A 82 3.372 -1.714 7.604 1.00 0.11 C ATOM 855 O MET A 82 2.568 -1.986 8.484 1.00 0.12 O ATOM 856 CB MET A 82 5.356 -3.152 8.163 1.00 0.15 C ATOM 857 CG MET A 82 6.294 -2.015 8.537 1.00 0.13 C ATOM 858 SD MET A 82 7.665 -2.566 9.570 1.00 0.49 S ATOM 859 CE MET A 82 6.775 -3.425 10.862 1.00 0.42 C ATOM 0 H MET A 82 5.939 -2.189 5.925 1.00 0.11 H new ATOM 0 HA MET A 82 3.723 -3.680 6.906 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.836 -3.488 9.060 1.00 0.15 H new ATOM 0 HB3 MET A 82 5.949 -3.993 7.804 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.688 -1.559 7.629 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.733 -1.243 9.064 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.368 -3.422 11.776 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.825 -2.923 11.045 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.589 -4.454 10.553 1.00 0.42 H new ATOM 869 N TRP A 83 3.446 -0.491 7.072 1.00 0.09 N ATOM 870 CA TRP A 83 2.526 0.546 7.526 1.00 0.09 C ATOM 871 C TRP A 83 1.091 0.244 7.095 1.00 0.09 C ATOM 872 O TRP A 83 0.213 0.102 7.937 1.00 0.11 O ATOM 873 CB TRP A 83 2.936 1.938 7.034 1.00 0.09 C ATOM 874 CG TRP A 83 1.962 3.000 7.437 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.951 3.707 8.603 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.849 3.477 6.668 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.896 4.583 8.611 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.207 4.463 7.434 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.334 3.163 5.408 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.921 5.137 6.981 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.783 3.833 4.961 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.398 4.809 5.745 1.00 0.15 C ATOM 0 H TRP A 83 4.109 -0.204 6.352 1.00 0.09 H new ATOM 0 HA TRP A 83 2.574 0.546 8.615 1.00 0.09 H new ATOM 0 HB2 TRP A 83 3.921 2.184 7.431 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.024 1.924 5.948 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.668 3.594 9.403 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.662 5.221 9.371 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.804 2.408 4.795 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.402 5.892 7.585 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.189 3.599 3.988 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.272 5.317 5.365 1.00 0.15 H new ATOM 893 N ALA A 84 0.839 0.134 5.796 1.00 0.09 N ATOM 894 CA ALA A 84 -0.523 -0.142 5.338 1.00 0.10 C ATOM 895 C ALA A 84 -0.995 -1.445 5.964 1.00 0.10 C ATOM 896 O ALA A 84 -2.146 -1.590 6.387 1.00 0.12 O ATOM 897 CB ALA A 84 -0.588 -0.207 3.819 1.00 0.12 C ATOM 0 H ALA A 84 1.536 0.228 5.057 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.182 0.669 5.650 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.612 -0.413 3.507 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.266 0.746 3.400 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.067 -1.001 3.460 1.00 0.12 H new ATOM 903 N VAL A 85 -0.054 -2.367 6.051 1.00 0.10 N ATOM 904 CA VAL A 85 -0.240 -3.625 6.736 1.00 0.11 C ATOM 905 C VAL A 85 -0.653 -3.431 8.203 1.00 0.13 C ATOM 906 O VAL A 85 -1.660 -3.979 8.634 1.00 0.14 O ATOM 907 CB VAL A 85 1.069 -4.454 6.628 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.264 -5.403 7.805 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.092 -5.222 5.320 1.00 0.14 C ATOM 0 H VAL A 85 0.873 -2.258 5.640 1.00 0.10 H new ATOM 0 HA VAL A 85 -1.058 -4.164 6.258 1.00 0.11 H new ATOM 0 HB VAL A 85 1.899 -3.748 6.652 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.194 -5.956 7.676 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.308 -4.830 8.731 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.429 -6.103 7.851 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.014 -5.800 5.254 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.237 -5.897 5.279 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.042 -4.522 4.486 1.00 0.14 H new ATOM 919 N ASN A 86 0.104 -2.649 8.966 1.00 0.15 N ATOM 920 CA ASN A 86 -0.153 -2.530 10.399 1.00 0.19 C ATOM 921 C ASN A 86 -1.403 -1.702 10.694 1.00 0.23 C ATOM 922 O ASN A 86 -1.985 -1.814 11.771 1.00 0.27 O ATOM 923 CB ASN A 86 1.081 -2.029 11.169 1.00 0.23 C ATOM 924 CG ASN A 86 1.174 -0.523 11.369 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.648 0.250 10.445 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.740 -0.061 12.362 1.00 0.32 N flip ATOM 0 H ASN A 86 0.889 -2.095 8.624 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.358 -3.535 10.767 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.093 -2.507 12.148 1.00 0.23 H new ATOM 0 HB3 ASN A 86 1.975 -2.362 10.641 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.138 -0.689 13.061 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.811 0.949 12.485 1.00 0.32 H new ATOM 933 N GLU A 87 -1.828 -0.888 9.732 1.00 0.24 N ATOM 934 CA GLU A 87 -3.038 -0.087 9.892 1.00 0.31 C ATOM 935 C GLU A 87 -4.240 -0.997 9.755 1.00 0.28 C ATOM 936 O GLU A 87 -5.266 -0.828 10.414 1.00 0.35 O ATOM 937 CB GLU A 87 -3.094 1.013 8.835 1.00 0.38 C ATOM 938 CG GLU A 87 -2.068 2.105 9.050 1.00 1.23 C ATOM 939 CD GLU A 87 -2.469 3.064 10.150 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.249 2.754 11.338 1.00 2.15 O ATOM 941 OE2 GLU A 87 -3.014 4.136 9.828 1.00 1.08 O ATOM 0 H GLU A 87 -1.355 -0.766 8.837 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.036 0.385 10.874 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.941 0.570 7.851 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -4.090 1.455 8.834 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -1.107 1.654 9.297 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -1.930 2.659 8.121 1.00 1.23 H new ATOM 948 N PHE A 88 -4.078 -1.976 8.884 1.00 0.23 N ATOM 949 CA PHE A 88 -5.064 -3.018 8.685 1.00 0.23 C ATOM 950 C PHE A 88 -4.871 -4.153 9.679 1.00 0.25 C ATOM 951 O PHE A 88 -5.632 -5.123 9.692 1.00 0.30 O ATOM 952 CB PHE A 88 -4.942 -3.553 7.270 1.00 0.24 C ATOM 953 CG PHE A 88 -5.776 -2.796 6.291 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.104 -3.139 6.089 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.244 -1.743 5.579 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.883 -2.440 5.192 1.00 0.47 C ATOM 957 CE2 PHE A 88 -6.016 -1.042 4.681 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.337 -1.390 4.486 1.00 0.45 C ATOM 0 H PHE A 88 -3.253 -2.070 8.292 1.00 0.23 H new ATOM 0 HA PHE A 88 -6.056 -2.594 8.843 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.898 -3.511 6.960 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.237 -4.602 7.257 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.533 -3.963 6.640 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.211 -1.465 5.727 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.917 -2.714 5.043 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.588 -0.219 4.128 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.942 -0.840 3.781 1.00 0.45 H new ATOM 968 N SER A 89 -3.850 -3.998 10.521 1.00 0.27 N ATOM 969 CA SER A 89 -3.414 -5.042 11.441 1.00 0.34 C ATOM 970 C SER A 89 -3.232 -6.374 10.716 1.00 0.36 C ATOM 971 O SER A 89 -3.657 -7.419 11.202 1.00 0.48 O ATOM 972 CB SER A 89 -4.403 -5.182 12.601 1.00 0.45 C ATOM 973 OG SER A 89 -4.490 -3.971 13.333 1.00 1.07 O ATOM 0 H SER A 89 -3.301 -3.140 10.583 1.00 0.27 H new ATOM 0 HA SER A 89 -2.446 -4.752 11.849 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.387 -5.452 12.217 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.086 -5.990 13.261 1.00 0.45 H new ATOM 0 HG SER A 89 -5.128 -4.079 14.069 1.00 1.07 H new ATOM 979 N LEU A 90 -2.586 -6.330 9.553 1.00 0.31 N ATOM 980 CA LEU A 90 -2.365 -7.532 8.769 1.00 0.40 C ATOM 981 C LEU A 90 -1.283 -8.355 9.435 1.00 0.59 C ATOM 982 O LEU A 90 -1.424 -9.563 9.603 1.00 1.23 O ATOM 983 CB LEU A 90 -1.953 -7.146 7.344 1.00 0.33 C ATOM 984 CG LEU A 90 -2.870 -6.115 6.685 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.377 -5.772 5.293 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.297 -6.649 6.625 1.00 0.27 C ATOM 0 H LEU A 90 -2.210 -5.477 9.138 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.280 -8.122 8.714 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.937 -6.751 7.366 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.933 -8.045 6.727 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.858 -5.205 7.285 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.044 -5.037 4.842 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.370 -5.359 5.355 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.362 -6.673 4.680 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.943 -5.908 6.154 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.317 -7.570 6.043 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.653 -6.851 7.635 1.00 0.27 H new ATOM 998 N LYS A 91 -0.220 -7.650 9.833 1.00 0.24 N ATOM 999 CA LYS A 91 0.842 -8.177 10.690 1.00 0.39 C ATOM 1000 C LYS A 91 1.260 -9.607 10.344 1.00 0.26 C ATOM 1001 O LYS A 91 1.580 -10.393 11.232 1.00 0.39 O ATOM 1002 CB LYS A 91 0.397 -8.085 12.151 1.00 0.78 C ATOM 1003 CG LYS A 91 0.047 -6.665 12.571 1.00 1.31 C ATOM 1004 CD LYS A 91 -0.509 -6.606 13.983 1.00 1.49 C ATOM 1005 CE LYS A 91 -0.899 -5.184 14.353 1.00 1.91 C ATOM 1006 NZ LYS A 91 -1.464 -5.094 15.724 1.00 2.48 N ATOM 0 H LYS A 91 -0.072 -6.678 9.562 1.00 0.24 H new ATOM 0 HA LYS A 91 1.727 -7.564 10.520 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.469 -8.728 12.304 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.192 -8.464 12.793 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.937 -6.039 12.506 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.685 -6.252 11.876 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -1.378 -7.258 14.063 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.235 -6.978 14.687 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -0.024 -4.539 14.280 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -1.630 -4.812 13.636 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -1.715 -4.106 15.932 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -2.315 -5.689 15.789 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 -0.758 -5.424 16.413 1.00 2.48 H new ATOM 1020 N GLY A 92 1.253 -9.945 9.061 1.00 0.26 N ATOM 1021 CA GLY A 92 1.722 -11.245 8.628 1.00 0.31 C ATOM 1022 C GLY A 92 2.363 -11.142 7.264 1.00 0.31 C ATOM 1023 O GLY A 92 2.108 -11.950 6.373 1.00 0.47 O ATOM 0 H GLY A 92 0.929 -9.337 8.309 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.441 -11.638 9.347 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.889 -11.947 8.594 1.00 0.31 H new ATOM 1027 N VAL A 93 3.184 -10.118 7.107 1.00 0.21 N ATOM 1028 CA VAL A 93 3.865 -9.851 5.862 1.00 0.21 C ATOM 1029 C VAL A 93 5.240 -10.477 5.894 1.00 0.20 C ATOM 1030 O VAL A 93 5.943 -10.401 6.906 1.00 0.22 O ATOM 1031 CB VAL A 93 3.944 -8.326 5.598 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.357 -7.861 5.279 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.017 -7.964 4.459 1.00 0.23 C ATOM 0 H VAL A 93 3.395 -9.448 7.846 1.00 0.21 H new ATOM 0 HA VAL A 93 3.302 -10.294 5.041 1.00 0.21 H new ATOM 0 HB VAL A 93 3.638 -7.819 6.513 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.355 -6.785 5.103 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.014 -8.090 6.118 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.716 -8.374 4.387 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.072 -6.892 4.272 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.316 -8.504 3.561 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.994 -8.235 4.722 1.00 0.23 H new ATOM 1043 N ASP A 94 5.611 -11.121 4.803 1.00 0.21 N ATOM 1044 CA ASP A 94 6.923 -11.713 4.709 1.00 0.24 C ATOM 1045 C ASP A 94 7.885 -10.635 4.266 1.00 0.21 C ATOM 1046 O ASP A 94 7.936 -10.280 3.089 1.00 0.20 O ATOM 1047 CB ASP A 94 6.928 -12.881 3.723 1.00 0.32 C ATOM 1048 CG ASP A 94 8.202 -13.691 3.803 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.249 -13.215 3.314 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.169 -14.801 4.362 1.00 1.10 O ATOM 0 H ASP A 94 5.024 -11.244 3.978 1.00 0.21 H new ATOM 0 HA ASP A 94 7.222 -12.112 5.678 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.075 -13.528 3.925 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.805 -12.499 2.709 1.00 0.32 H new ATOM 1055 N PHE A 95 8.634 -10.106 5.216 1.00 0.23 N ATOM 1056 CA PHE A 95 9.463 -8.941 4.967 1.00 0.24 C ATOM 1057 C PHE A 95 10.568 -9.297 3.998 1.00 0.23 C ATOM 1058 O PHE A 95 11.188 -8.430 3.379 1.00 0.28 O ATOM 1059 CB PHE A 95 10.076 -8.413 6.264 1.00 0.29 C ATOM 1060 CG PHE A 95 9.062 -7.959 7.272 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.522 -6.686 7.198 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.649 -8.801 8.291 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.589 -6.262 8.122 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.715 -8.382 9.218 1.00 0.52 C ATOM 1065 CZ PHE A 95 7.183 -7.111 9.134 1.00 0.61 C ATOM 0 H PHE A 95 8.685 -10.466 6.169 1.00 0.23 H new ATOM 0 HA PHE A 95 8.832 -8.161 4.540 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.692 -9.195 6.709 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.739 -7.580 6.029 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.834 -6.018 6.409 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.062 -9.796 8.362 1.00 0.41 H new ATOM 0 HE1 PHE A 95 7.176 -5.266 8.054 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.401 -9.048 10.008 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.452 -6.781 9.857 1.00 0.61 H new ATOM 1075 N GLN A 96 10.804 -10.587 3.880 1.00 0.21 N ATOM 1076 CA GLN A 96 11.845 -11.098 3.017 1.00 0.24 C ATOM 1077 C GLN A 96 11.344 -11.195 1.590 1.00 0.21 C ATOM 1078 O GLN A 96 12.107 -11.010 0.643 1.00 0.25 O ATOM 1079 CB GLN A 96 12.306 -12.466 3.501 1.00 0.33 C ATOM 1080 CG GLN A 96 13.577 -12.945 2.830 1.00 1.06 C ATOM 1081 CD GLN A 96 14.711 -11.950 2.962 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.487 -11.991 3.917 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.803 -11.037 2.010 1.00 1.93 N ATOM 0 H GLN A 96 10.281 -11.307 4.378 1.00 0.21 H new ATOM 0 HA GLN A 96 12.690 -10.410 3.047 1.00 0.24 H new ATOM 0 HB2 GLN A 96 12.465 -12.427 4.579 1.00 0.33 H new ATOM 0 HB3 GLN A 96 11.513 -13.193 3.322 1.00 0.33 H new ATOM 0 HG2 GLN A 96 13.879 -13.896 3.268 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.380 -13.129 1.774 1.00 1.06 H new ATOM 0 HE21 GLN A 96 14.139 -11.039 1.236 1.00 1.93 H new ATOM 0 HE22 GLN A 96 15.538 -10.331 2.050 1.00 1.93 H new ATOM 1092 N LYS A 97 10.060 -11.483 1.436 1.00 0.18 N ATOM 1093 CA LYS A 97 9.454 -11.521 0.121 1.00 0.19 C ATOM 1094 C LYS A 97 9.237 -10.089 -0.328 1.00 0.17 C ATOM 1095 O LYS A 97 9.241 -9.779 -1.517 1.00 0.20 O ATOM 1096 CB LYS A 97 8.123 -12.284 0.156 1.00 0.23 C ATOM 1097 CG LYS A 97 7.840 -13.117 -1.088 1.00 0.26 C ATOM 1098 CD LYS A 97 7.563 -12.258 -2.312 1.00 0.25 C ATOM 1099 CE LYS A 97 7.301 -13.112 -3.545 1.00 0.38 C ATOM 1100 NZ LYS A 97 6.143 -14.031 -3.362 1.00 1.43 N ATOM 0 H LYS A 97 9.423 -11.693 2.204 1.00 0.18 H new ATOM 0 HA LYS A 97 10.107 -12.043 -0.579 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.118 -12.940 1.026 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.312 -11.569 0.291 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.692 -13.766 -1.289 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.983 -13.765 -0.901 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.701 -11.618 -2.121 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.413 -11.601 -2.497 1.00 0.25 H new ATOM 0 HE2 LYS A 97 7.115 -12.463 -4.401 1.00 0.38 H new ATOM 0 HE3 LYS A 97 8.192 -13.696 -3.776 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 6.475 -15.016 -3.386 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 5.690 -13.840 -2.445 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 5.455 -13.879 -4.127 1.00 1.43 H new ATOM 1114 N PHE A 98 9.105 -9.217 0.664 1.00 0.16 N ATOM 1115 CA PHE A 98 8.966 -7.791 0.444 1.00 0.16 C ATOM 1116 C PHE A 98 10.332 -7.142 0.264 1.00 0.20 C ATOM 1117 O PHE A 98 10.525 -5.966 0.577 1.00 0.22 O ATOM 1118 CB PHE A 98 8.225 -7.149 1.612 1.00 0.15 C ATOM 1119 CG PHE A 98 6.740 -7.219 1.451 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.077 -6.216 0.771 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.010 -8.282 1.956 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.713 -6.268 0.598 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.646 -8.335 1.784 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.996 -7.327 1.105 1.00 0.12 C ATOM 0 H PHE A 98 9.092 -9.485 1.648 1.00 0.16 H new ATOM 0 HA PHE A 98 8.388 -7.635 -0.467 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.511 -7.647 2.538 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.529 -6.106 1.703 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.635 -5.382 0.371 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.515 -9.075 2.488 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.206 -5.478 0.064 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.084 -9.167 2.181 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.925 -7.368 0.971 1.00 0.12 H new ATOM 1134 N CYS A 99 11.277 -7.922 -0.236 1.00 0.26 N ATOM 1135 CA CYS A 99 12.624 -7.441 -0.479 1.00 0.31 C ATOM 1136 C CYS A 99 12.655 -6.570 -1.721 1.00 0.23 C ATOM 1137 O CYS A 99 13.035 -7.021 -2.804 1.00 0.27 O ATOM 1138 CB CYS A 99 13.554 -8.627 -0.686 1.00 0.45 C ATOM 1139 SG CYS A 99 15.311 -8.204 -0.787 1.00 1.20 S ATOM 0 H CYS A 99 11.131 -8.901 -0.483 1.00 0.26 H new ATOM 0 HA CYS A 99 12.948 -6.854 0.381 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.411 -9.331 0.134 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.265 -9.142 -1.602 1.00 0.45 H new ATOM 0 HG CYS A 99 15.585 -7.278 0.084 1.00 1.20 H new ATOM 1145 N MET A 100 12.235 -5.334 -1.580 1.00 0.19 N ATOM 1146 CA MET A 100 12.354 -4.396 -2.666 1.00 0.16 C ATOM 1147 C MET A 100 13.131 -3.178 -2.260 1.00 0.17 C ATOM 1148 O MET A 100 12.886 -2.580 -1.215 1.00 0.20 O ATOM 1149 CB MET A 100 10.990 -3.934 -3.186 1.00 0.22 C ATOM 1150 CG MET A 100 10.236 -4.974 -3.986 1.00 0.22 C ATOM 1151 SD MET A 100 9.444 -6.204 -2.940 1.00 0.13 S ATOM 1152 CE MET A 100 8.321 -5.171 -1.998 1.00 0.18 C ATOM 0 H MET A 100 11.812 -4.959 -0.731 1.00 0.19 H new ATOM 0 HA MET A 100 12.880 -4.930 -3.457 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.376 -3.631 -2.338 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.133 -3.050 -3.807 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.480 -4.480 -4.597 1.00 0.22 H new ATOM 0 HG3 MET A 100 10.924 -5.471 -4.670 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.565 -5.241 -0.938 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.418 -4.136 -2.325 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.297 -5.507 -2.158 1.00 0.18 H new ATOM 1162 N SER A 101 14.082 -2.832 -3.090 1.00 0.16 N ATOM 1163 CA SER A 101 14.554 -1.478 -3.133 1.00 0.18 C ATOM 1164 C SER A 101 13.462 -0.723 -3.868 1.00 0.14 C ATOM 1165 O SER A 101 12.747 -1.336 -4.643 1.00 0.15 O ATOM 1166 CB SER A 101 15.890 -1.393 -3.870 1.00 0.24 C ATOM 1167 OG SER A 101 16.816 -2.333 -3.348 1.00 1.26 O ATOM 0 H SER A 101 14.541 -3.469 -3.741 1.00 0.16 H new ATOM 0 HA SER A 101 14.739 -1.064 -2.142 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.736 -1.579 -4.933 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.297 -0.386 -3.779 1.00 0.24 H new ATOM 0 HG SER A 101 17.663 -2.263 -3.835 1.00 1.26 H new ATOM 1173 N GLY A 102 13.278 0.546 -3.613 1.00 0.13 N ATOM 1174 CA GLY A 102 12.133 1.240 -4.163 1.00 0.14 C ATOM 1175 C GLY A 102 11.969 1.108 -5.666 1.00 0.14 C ATOM 1176 O GLY A 102 10.844 0.972 -6.153 1.00 0.16 O ATOM 0 H GLY A 102 13.895 1.118 -3.036 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.231 0.864 -3.679 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.212 2.298 -3.912 1.00 0.14 H new ATOM 1180 N ALA A 103 13.071 1.163 -6.406 1.00 0.17 N ATOM 1181 CA ALA A 103 13.024 0.941 -7.846 1.00 0.21 C ATOM 1182 C ALA A 103 12.441 -0.433 -8.134 1.00 0.21 C ATOM 1183 O ALA A 103 11.644 -0.609 -9.052 1.00 0.25 O ATOM 1184 CB ALA A 103 14.414 1.073 -8.449 1.00 0.26 C ATOM 0 H ALA A 103 14.001 1.358 -6.036 1.00 0.17 H new ATOM 0 HA ALA A 103 12.385 1.696 -8.303 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.362 0.904 -9.525 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.800 2.074 -8.257 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.078 0.335 -7.998 1.00 0.26 H new ATOM 1190 N ALA A 104 12.821 -1.391 -7.301 1.00 0.19 N ATOM 1191 CA ALA A 104 12.314 -2.747 -7.391 1.00 0.20 C ATOM 1192 C ALA A 104 10.862 -2.795 -6.938 1.00 0.16 C ATOM 1193 O ALA A 104 10.049 -3.505 -7.532 1.00 0.17 O ATOM 1194 CB ALA A 104 13.165 -3.685 -6.550 1.00 0.22 C ATOM 0 H ALA A 104 13.490 -1.247 -6.544 1.00 0.19 H new ATOM 0 HA ALA A 104 12.365 -3.073 -8.430 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.773 -4.699 -6.627 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.193 -3.665 -6.911 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.140 -3.364 -5.509 1.00 0.22 H new ATOM 1200 N LEU A 105 10.541 -2.057 -5.865 1.00 0.12 N ATOM 1201 CA LEU A 105 9.170 -1.909 -5.401 1.00 0.09 C ATOM 1202 C LEU A 105 8.234 -1.557 -6.537 1.00 0.12 C ATOM 1203 O LEU A 105 7.202 -2.174 -6.736 1.00 0.13 O ATOM 1204 CB LEU A 105 9.088 -0.801 -4.344 1.00 0.09 C ATOM 1205 CG LEU A 105 7.685 -0.609 -3.790 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.242 -1.849 -3.042 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.607 0.602 -2.897 1.00 0.14 C ATOM 0 H LEU A 105 11.226 -1.552 -5.303 1.00 0.12 H new ATOM 0 HA LEU A 105 8.867 -2.865 -4.975 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.767 -1.038 -3.525 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.431 0.137 -4.781 1.00 0.09 H new ATOM 0 HG LEU A 105 7.012 -0.444 -4.631 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.236 -1.698 -2.651 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.243 -2.703 -3.720 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.928 -2.040 -2.216 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.591 0.710 -2.518 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.295 0.482 -2.060 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.879 1.491 -3.466 1.00 0.14 H new ATOM 1219 N CYS A 106 8.589 -0.517 -7.226 1.00 0.21 N ATOM 1220 CA CYS A 106 7.848 -0.064 -8.373 1.00 0.31 C ATOM 1221 C CYS A 106 7.893 -1.093 -9.509 1.00 0.34 C ATOM 1222 O CYS A 106 6.856 -1.455 -10.066 1.00 0.40 O ATOM 1223 CB CYS A 106 8.434 1.268 -8.814 1.00 0.39 C ATOM 1224 SG CYS A 106 7.487 2.137 -10.086 1.00 0.74 S ATOM 0 H CYS A 106 9.409 0.050 -7.010 1.00 0.21 H new ATOM 0 HA CYS A 106 6.798 0.060 -8.109 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.522 1.916 -7.942 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.444 1.098 -9.187 1.00 0.39 H new ATOM 0 HG CYS A 106 6.762 1.283 -10.747 1.00 0.74 H new ATOM 1230 N ALA A 107 9.095 -1.563 -9.838 1.00 0.33 N ATOM 1231 CA ALA A 107 9.298 -2.469 -10.968 1.00 0.41 C ATOM 1232 C ALA A 107 8.532 -3.791 -10.869 1.00 0.38 C ATOM 1233 O ALA A 107 8.216 -4.381 -11.903 1.00 0.46 O ATOM 1234 CB ALA A 107 10.779 -2.750 -11.151 1.00 0.47 C ATOM 0 H ALA A 107 9.950 -1.329 -9.333 1.00 0.33 H new ATOM 0 HA ALA A 107 8.891 -1.950 -11.836 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.920 -3.426 -11.995 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.306 -1.815 -11.343 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.176 -3.211 -10.247 1.00 0.47 H new ATOM 1240 N LEU A 108 8.243 -4.284 -9.660 1.00 0.29 N ATOM 1241 CA LEU A 108 7.539 -5.562 -9.541 1.00 0.26 C ATOM 1242 C LEU A 108 6.173 -5.504 -10.226 1.00 0.26 C ATOM 1243 O LEU A 108 5.704 -6.496 -10.786 1.00 0.28 O ATOM 1244 CB LEU A 108 7.420 -6.049 -8.072 1.00 0.21 C ATOM 1245 CG LEU A 108 7.034 -5.011 -7.016 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.605 -4.518 -7.194 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.221 -5.601 -5.627 1.00 0.19 C ATOM 0 H LEU A 108 8.478 -3.833 -8.776 1.00 0.29 H new ATOM 0 HA LEU A 108 8.147 -6.304 -10.059 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.682 -6.851 -8.042 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.376 -6.484 -7.783 1.00 0.21 H new ATOM 0 HG LEU A 108 7.689 -4.148 -7.140 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.375 -3.783 -6.423 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.498 -4.058 -8.177 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.917 -5.359 -7.110 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.945 -4.860 -4.877 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.588 -6.481 -5.517 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.264 -5.885 -5.490 1.00 0.19 H new ATOM 1259 N GLY A 109 5.560 -4.327 -10.220 1.00 0.27 N ATOM 1260 CA GLY A 109 4.275 -4.159 -10.858 1.00 0.32 C ATOM 1261 C GLY A 109 3.159 -4.830 -10.091 1.00 0.27 C ATOM 1262 O GLY A 109 3.400 -5.497 -9.083 1.00 0.23 O ATOM 0 H GLY A 109 5.934 -3.485 -9.782 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.057 -3.095 -10.955 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.317 -4.569 -11.867 1.00 0.32 H new ATOM 1266 N LYS A 110 1.940 -4.625 -10.562 1.00 0.33 N ATOM 1267 CA LYS A 110 0.757 -5.245 -9.976 1.00 0.36 C ATOM 1268 C LYS A 110 0.995 -6.731 -9.724 1.00 0.26 C ATOM 1269 O LYS A 110 0.934 -7.193 -8.580 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.435 -5.091 -10.938 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.810 -5.037 -10.278 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.042 -6.170 -9.289 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.043 -7.562 -9.926 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.203 -7.777 -10.835 1.00 0.67 N ATOM 0 H LYS A 110 1.740 -4.024 -11.362 1.00 0.33 H new ATOM 0 HA LYS A 110 0.545 -4.751 -9.028 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.295 -4.180 -11.520 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.421 -5.923 -11.641 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.921 -4.083 -9.762 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -2.579 -5.073 -11.050 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.268 -6.133 -8.522 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -2.996 -6.011 -8.787 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.118 -7.702 -10.485 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.058 -8.317 -9.140 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.788 -8.557 -10.473 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.773 -6.909 -10.881 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.859 -8.016 -11.787 1.00 0.67 H new ATOM 1288 N GLU A 111 1.257 -7.463 -10.804 1.00 0.25 N ATOM 1289 CA GLU A 111 1.332 -8.919 -10.764 1.00 0.31 C ATOM 1290 C GLU A 111 2.234 -9.411 -9.645 1.00 0.27 C ATOM 1291 O GLU A 111 1.780 -10.103 -8.733 1.00 0.39 O ATOM 1292 CB GLU A 111 1.829 -9.463 -12.105 1.00 0.48 C ATOM 1293 CG GLU A 111 1.015 -8.989 -13.299 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.469 -9.231 -13.130 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -0.904 -10.397 -13.245 1.00 2.46 O ATOM 1296 OE2 GLU A 111 -1.211 -8.254 -12.890 1.00 2.54 O ATOM 0 H GLU A 111 1.423 -7.064 -11.728 1.00 0.25 H new ATOM 0 HA GLU A 111 0.325 -9.289 -10.570 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.868 -9.166 -12.244 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.811 -10.552 -12.074 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.190 -7.924 -13.452 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.362 -9.501 -14.196 1.00 1.39 H new ATOM 1303 N CYS A 112 3.492 -9.010 -9.699 1.00 0.21 N ATOM 1304 CA CYS A 112 4.477 -9.486 -8.755 1.00 0.18 C ATOM 1305 C CYS A 112 4.113 -9.093 -7.335 1.00 0.15 C ATOM 1306 O CYS A 112 4.157 -9.935 -6.455 1.00 0.17 O ATOM 1307 CB CYS A 112 5.873 -8.987 -9.111 1.00 0.21 C ATOM 1308 SG CYS A 112 6.477 -9.565 -10.715 1.00 1.36 S ATOM 0 H CYS A 112 3.853 -8.353 -10.391 1.00 0.21 H new ATOM 0 HA CYS A 112 4.484 -10.574 -8.813 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.869 -7.897 -9.107 1.00 0.21 H new ATOM 0 HB3 CYS A 112 6.570 -9.306 -8.336 1.00 0.21 H new ATOM 0 HG CYS A 112 6.481 -8.576 -11.559 1.00 1.36 H new ATOM 1314 N PHE A 113 3.750 -7.826 -7.107 1.00 0.13 N ATOM 1315 CA PHE A 113 3.408 -7.375 -5.759 1.00 0.12 C ATOM 1316 C PHE A 113 2.316 -8.240 -5.122 1.00 0.13 C ATOM 1317 O PHE A 113 2.432 -8.651 -3.970 1.00 0.14 O ATOM 1318 CB PHE A 113 2.976 -5.901 -5.742 1.00 0.12 C ATOM 1319 CG PHE A 113 3.229 -5.260 -4.406 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.436 -5.583 -3.322 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.288 -4.378 -4.216 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.680 -5.041 -2.082 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.539 -3.844 -2.974 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.736 -4.176 -1.906 1.00 0.10 C ATOM 0 H PHE A 113 3.687 -7.107 -7.828 1.00 0.13 H new ATOM 0 HA PHE A 113 4.317 -7.478 -5.167 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.517 -5.355 -6.515 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.916 -5.830 -5.984 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.613 -6.271 -3.450 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.918 -4.110 -5.051 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.044 -5.294 -1.247 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.366 -3.164 -2.836 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.935 -3.758 -0.930 1.00 0.10 H new ATOM 1334 N LEU A 114 1.248 -8.513 -5.842 1.00 0.14 N ATOM 1335 CA LEU A 114 0.153 -9.270 -5.239 1.00 0.17 C ATOM 1336 C LEU A 114 0.479 -10.749 -5.201 1.00 0.22 C ATOM 1337 O LEU A 114 -0.156 -11.518 -4.487 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.177 -9.033 -5.935 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.441 -7.599 -6.389 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -2.933 -7.357 -6.494 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.819 -6.577 -5.459 1.00 0.50 C ATOM 0 H LEU A 114 1.108 -8.236 -6.814 1.00 0.14 H new ATOM 0 HA LEU A 114 0.045 -8.905 -4.218 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.232 -9.686 -6.806 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -1.978 -9.334 -5.260 1.00 0.19 H new ATOM 0 HG LEU A 114 -0.975 -7.477 -7.367 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.113 -6.332 -6.818 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.364 -8.048 -7.219 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.397 -7.517 -5.521 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.035 -5.573 -5.825 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.234 -6.696 -4.458 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.260 -6.726 -5.424 1.00 0.50 H new ATOM 1353 N GLU A 115 1.453 -11.148 -6.003 1.00 0.22 N ATOM 1354 CA GLU A 115 2.030 -12.473 -5.882 1.00 0.28 C ATOM 1355 C GLU A 115 3.031 -12.486 -4.734 1.00 0.27 C ATOM 1356 O GLU A 115 3.466 -13.534 -4.254 1.00 0.37 O ATOM 1357 CB GLU A 115 2.755 -12.873 -7.159 1.00 0.37 C ATOM 1358 CG GLU A 115 1.837 -13.150 -8.330 1.00 0.48 C ATOM 1359 CD GLU A 115 2.604 -13.582 -9.557 1.00 1.33 C ATOM 1360 OE1 GLU A 115 3.506 -14.436 -9.429 1.00 1.81 O ATOM 1361 OE2 GLU A 115 2.311 -13.057 -10.655 1.00 2.21 O ATOM 0 H GLU A 115 1.858 -10.574 -6.742 1.00 0.22 H new ATOM 0 HA GLU A 115 1.221 -13.179 -5.696 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.448 -12.078 -7.435 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.353 -13.763 -6.961 1.00 0.37 H new ATOM 0 HG2 GLU A 115 1.123 -13.927 -8.056 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.260 -12.254 -8.559 1.00 0.48 H new ATOM 1368 N LEU A 116 3.393 -11.289 -4.320 1.00 0.20 N ATOM 1369 CA LEU A 116 4.448 -11.066 -3.355 1.00 0.19 C ATOM 1370 C LEU A 116 3.897 -11.057 -1.930 1.00 0.22 C ATOM 1371 O LEU A 116 4.602 -11.383 -0.973 1.00 0.26 O ATOM 1372 CB LEU A 116 5.153 -9.759 -3.736 1.00 0.15 C ATOM 1373 CG LEU A 116 5.727 -8.921 -2.610 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.003 -8.252 -3.066 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.726 -7.875 -2.174 1.00 0.16 C ATOM 0 H LEU A 116 2.954 -10.430 -4.651 1.00 0.20 H new ATOM 0 HA LEU A 116 5.174 -11.878 -3.375 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.964 -10.002 -4.422 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.443 -9.142 -4.287 1.00 0.15 H new ATOM 0 HG LEU A 116 5.947 -9.572 -1.764 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.410 -7.652 -2.252 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.729 -9.012 -3.355 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.792 -7.609 -3.920 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.150 -7.280 -1.365 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.489 -7.225 -3.016 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.817 -8.365 -1.826 1.00 0.16 H new ATOM 1387 N ALA A 117 2.630 -10.711 -1.804 1.00 0.21 N ATOM 1388 CA ALA A 117 1.932 -10.762 -0.528 1.00 0.22 C ATOM 1389 C ALA A 117 0.584 -11.437 -0.724 1.00 0.23 C ATOM 1390 O ALA A 117 0.249 -11.793 -1.849 1.00 0.26 O ATOM 1391 CB ALA A 117 1.747 -9.361 0.041 1.00 0.22 C ATOM 0 H ALA A 117 2.054 -10.387 -2.581 1.00 0.21 H new ATOM 0 HA ALA A 117 2.526 -11.336 0.183 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.223 -9.422 0.995 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.722 -8.898 0.191 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.163 -8.759 -0.656 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.195 -11.671 0.348 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.592 -12.075 0.200 1.00 0.25 C ATOM 1399 C PRO A 118 -2.319 -11.153 -0.774 1.00 0.22 C ATOM 1400 O PRO A 118 -2.107 -9.941 -0.762 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.151 -11.909 1.605 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.986 -12.146 2.503 1.00 0.32 C ATOM 1403 CD PRO A 118 0.217 -11.613 1.768 1.00 0.29 C ATOM 0 HA PRO A 118 -1.706 -13.085 -0.194 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.568 -10.912 1.751 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.953 -12.621 1.799 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.118 -11.636 3.457 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.871 -13.208 2.722 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.457 -10.595 2.075 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.103 -12.220 1.954 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.152 -11.745 -1.623 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.783 -11.037 -2.741 1.00 0.32 C ATOM 1413 C ASP A 119 -4.464 -9.721 -2.351 1.00 0.31 C ATOM 1414 O ASP A 119 -4.573 -8.830 -3.191 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.778 -11.942 -3.484 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.922 -12.435 -2.618 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -6.818 -11.628 -2.292 1.00 1.26 O ATOM 1418 OD2 ASP A 119 -5.935 -13.627 -2.255 1.00 0.95 O ATOM 0 H ASP A 119 -3.412 -12.729 -1.559 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.960 -10.772 -3.405 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.187 -11.396 -4.334 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.242 -12.802 -3.886 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.922 -9.570 -1.104 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.540 -8.310 -0.714 1.00 0.32 C ATOM 1425 C PHE A 120 -4.496 -7.379 -0.136 1.00 0.22 C ATOM 1426 O PHE A 120 -4.562 -6.173 -0.307 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.696 -8.482 0.273 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.446 -7.198 0.493 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.732 -6.350 -0.563 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.892 -6.855 1.763 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.446 -5.186 -0.358 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.603 -5.693 1.973 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.780 -4.794 0.890 1.00 1.86 C ATOM 0 H PHE A 120 -4.877 -10.281 -0.374 1.00 0.27 H new ATOM 0 HA PHE A 120 -5.967 -7.878 -1.619 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.382 -9.242 -0.101 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.308 -8.843 1.226 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.393 -6.601 -1.557 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.679 -7.507 2.597 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.740 -4.583 -1.204 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -9.018 -5.471 2.945 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.178 -3.805 1.062 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.532 -7.959 0.545 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.497 -7.201 1.211 1.00 0.17 C ATOM 1445 C VAL A 121 -1.544 -6.618 0.203 1.00 0.15 C ATOM 1446 O VAL A 121 -1.096 -5.480 0.343 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.746 -8.099 2.184 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.645 -7.333 2.893 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.751 -8.677 3.153 1.00 0.22 C ATOM 0 H VAL A 121 -3.444 -8.970 0.652 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.959 -6.383 1.764 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.253 -8.911 1.649 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.125 -7.998 3.582 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.061 -6.947 2.158 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.080 -6.502 3.449 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.239 -9.326 3.864 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.245 -7.868 3.691 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.495 -9.255 2.604 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.236 -7.405 -0.813 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.492 -6.896 -1.923 1.00 0.19 C ATOM 1461 C GLY A 122 -1.215 -5.738 -2.557 1.00 0.16 C ATOM 1462 O GLY A 122 -0.604 -4.739 -2.862 1.00 0.14 O ATOM 0 H GLY A 122 -1.493 -8.390 -0.881 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.496 -6.577 -1.590 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.341 -7.685 -2.660 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.532 -5.874 -2.728 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.354 -4.842 -3.357 1.00 0.19 C ATOM 1468 C ASP A 123 -3.458 -3.628 -2.446 1.00 0.13 C ATOM 1469 O ASP A 123 -3.368 -2.496 -2.895 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.751 -5.403 -3.650 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.671 -4.406 -4.330 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -6.373 -3.654 -3.622 1.00 1.07 O ATOM 1473 OD2 ASP A 123 -5.672 -4.340 -5.574 1.00 0.68 O ATOM 0 H ASP A 123 -3.055 -6.699 -2.435 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.888 -4.536 -4.294 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.655 -6.286 -4.281 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.207 -5.728 -2.715 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.669 -3.891 -1.165 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.642 -2.864 -0.131 1.00 0.10 C ATOM 1480 C ILE A 124 -2.354 -2.057 -0.200 1.00 0.09 C ATOM 1481 O ILE A 124 -2.373 -0.834 -0.364 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.808 -3.506 1.270 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.291 -3.699 1.579 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.143 -2.669 2.359 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.551 -4.379 2.908 1.00 0.22 C ATOM 0 H ILE A 124 -3.865 -4.827 -0.810 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.476 -2.183 -0.303 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.311 -4.476 1.256 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.784 -2.727 1.576 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.745 -4.289 0.783 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.282 -3.153 3.326 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.077 -2.578 2.148 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.594 -1.677 2.382 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.625 -4.482 3.060 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.088 -5.366 2.909 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.127 -3.779 3.713 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.242 -2.744 -0.071 1.00 0.08 N ATOM 1498 CA LEU A 125 0.043 -2.118 -0.201 1.00 0.08 C ATOM 1499 C LEU A 125 0.233 -1.524 -1.586 1.00 0.09 C ATOM 1500 O LEU A 125 0.702 -0.406 -1.711 1.00 0.10 O ATOM 1501 CB LEU A 125 1.127 -3.125 0.127 1.00 0.08 C ATOM 1502 CG LEU A 125 1.532 -3.117 1.587 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.400 -4.315 1.921 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.260 -1.822 1.892 1.00 0.09 C ATOM 0 H LEU A 125 -1.208 -3.744 0.125 1.00 0.08 H new ATOM 0 HA LEU A 125 0.107 -1.290 0.505 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.779 -4.123 -0.141 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.003 -2.918 -0.487 1.00 0.08 H new ATOM 0 HG LEU A 125 0.637 -3.184 2.205 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.675 -4.282 2.975 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.847 -5.232 1.718 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.302 -4.292 1.310 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.555 -1.809 2.941 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.148 -1.747 1.265 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.601 -0.978 1.690 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.182 -2.249 -2.611 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.051 -1.774 -3.980 1.00 0.10 C ATOM 1518 C TRP A 126 -0.839 -0.483 -4.181 1.00 0.11 C ATOM 1519 O TRP A 126 -0.398 0.405 -4.908 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.497 -2.839 -4.993 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.583 -2.296 -6.375 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.720 -1.990 -7.049 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.508 -1.968 -7.234 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.404 -1.439 -8.269 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.038 -1.431 -8.410 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.897 -2.066 -7.116 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.764 -0.988 -9.461 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.689 -1.636 -8.161 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.121 -1.098 -9.319 1.00 0.25 C ATOM 0 H TRP A 126 -0.613 -3.169 -2.522 1.00 0.09 H new ATOM 0 HA TRP A 126 1.005 -1.569 -4.156 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.205 -3.673 -4.975 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.469 -3.234 -4.698 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.723 -2.154 -6.683 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.074 -1.093 -8.956 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.344 -2.472 -6.221 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.329 -0.572 -10.358 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.763 -1.716 -8.083 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.766 -0.762 -10.118 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.998 -0.373 -3.542 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.746 0.871 -3.571 1.00 0.12 C ATOM 1542 C GLU A 127 -1.909 1.993 -3.027 1.00 0.12 C ATOM 1543 O GLU A 127 -1.661 2.957 -3.723 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.047 0.789 -2.786 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.256 0.589 -3.672 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.452 1.698 -4.678 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -5.835 2.810 -4.274 1.00 1.43 O ATOM 1548 OE2 GLU A 127 -5.248 1.455 -5.882 1.00 0.84 O ATOM 0 H GLU A 127 -2.433 -1.123 -3.004 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.999 1.061 -4.614 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.985 -0.034 -2.074 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.174 1.703 -2.207 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.156 -0.359 -4.202 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.146 0.513 -3.048 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.455 1.875 -1.788 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.612 2.920 -1.240 1.00 0.11 C ATOM 1557 C HIS A 128 0.638 3.077 -2.081 1.00 0.10 C ATOM 1558 O HIS A 128 1.129 4.181 -2.214 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.238 2.682 0.221 1.00 0.11 C ATOM 1560 CG HIS A 128 0.257 3.937 0.892 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.723 3.975 2.188 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.329 5.214 0.434 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.055 5.218 2.501 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.828 5.985 1.454 1.00 0.15 N ATOM 0 H HIS A 128 -1.649 1.093 -1.163 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.195 3.841 -1.268 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.106 2.302 0.760 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.533 1.914 0.277 1.00 0.11 H new ATOM 0 HD2 HIS A 128 0.046 5.558 -0.550 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.445 5.547 3.453 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.996 6.990 1.409 1.00 0.15 H new ATOM 1573 N LEU A 129 1.137 1.988 -2.657 1.00 0.10 N ATOM 1574 CA LEU A 129 2.251 2.061 -3.579 1.00 0.12 C ATOM 1575 C LEU A 129 1.903 3.027 -4.673 1.00 0.15 C ATOM 1576 O LEU A 129 2.657 3.948 -4.989 1.00 0.18 O ATOM 1577 CB LEU A 129 2.558 0.676 -4.169 1.00 0.11 C ATOM 1578 CG LEU A 129 3.720 0.619 -5.153 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.778 1.616 -4.757 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.324 -0.767 -5.161 1.00 0.13 C ATOM 0 H LEU A 129 0.782 1.045 -2.497 1.00 0.10 H new ATOM 0 HA LEU A 129 3.141 2.403 -3.050 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.767 -0.010 -3.348 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.663 0.309 -4.671 1.00 0.11 H new ATOM 0 HG LEU A 129 3.346 0.859 -6.148 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.605 1.569 -5.465 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.352 2.619 -4.762 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.143 1.382 -3.757 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.154 -0.798 -5.867 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.688 -1.011 -4.163 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.567 -1.492 -5.459 1.00 0.13 H new ATOM 1592 N GLU A 130 0.733 2.826 -5.221 1.00 0.17 N ATOM 1593 CA GLU A 130 0.229 3.702 -6.223 1.00 0.23 C ATOM 1594 C GLU A 130 0.003 5.091 -5.656 1.00 0.25 C ATOM 1595 O GLU A 130 0.416 6.068 -6.243 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.054 3.132 -6.837 1.00 0.27 C ATOM 1597 CG GLU A 130 -0.820 2.318 -8.099 1.00 0.69 C ATOM 1598 CD GLU A 130 -0.418 3.173 -9.284 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -0.473 4.419 -9.176 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -0.074 2.607 -10.342 1.00 1.80 O ATOM 0 H GLU A 130 0.113 2.053 -4.981 1.00 0.17 H new ATOM 0 HA GLU A 130 0.971 3.786 -7.017 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.552 2.504 -6.098 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.732 3.954 -7.066 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.042 1.579 -7.910 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.729 1.769 -8.345 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.624 5.166 -4.507 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.916 6.433 -3.853 1.00 0.21 C ATOM 1609 C ILE A 131 0.353 7.264 -3.602 1.00 0.22 C ATOM 1610 O ILE A 131 0.317 8.493 -3.670 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.667 6.180 -2.540 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.178 5.996 -2.766 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.462 7.338 -1.587 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.568 5.088 -3.913 1.00 0.23 C ATOM 0 H ILE A 131 -0.951 4.349 -3.991 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.547 7.016 -4.524 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.262 5.261 -2.116 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.618 5.602 -1.850 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.623 6.977 -2.937 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -2.001 7.145 -0.659 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.399 7.449 -1.373 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.839 8.254 -2.042 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.655 5.032 -3.979 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.168 5.487 -4.845 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.163 4.091 -3.742 1.00 0.23 H new ATOM 1626 N LEU A 132 1.465 6.606 -3.309 1.00 0.18 N ATOM 1627 CA LEU A 132 2.736 7.313 -3.157 1.00 0.20 C ATOM 1628 C LEU A 132 3.073 8.042 -4.440 1.00 0.25 C ATOM 1629 O LEU A 132 3.576 9.166 -4.434 1.00 0.29 O ATOM 1630 CB LEU A 132 3.878 6.352 -2.857 1.00 0.21 C ATOM 1631 CG LEU A 132 3.578 5.309 -1.803 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.417 4.075 -2.064 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.845 5.837 -0.398 1.00 0.25 C ATOM 0 H LEU A 132 1.518 5.597 -3.172 1.00 0.18 H new ATOM 0 HA LEU A 132 2.622 8.010 -2.327 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.157 5.844 -3.780 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.745 6.930 -2.537 1.00 0.21 H new ATOM 0 HG LEU A 132 2.519 5.057 -1.863 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.202 3.322 -1.306 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.179 3.675 -3.050 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.474 4.339 -2.025 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.618 5.060 0.332 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.893 6.123 -0.310 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.215 6.706 -0.210 1.00 0.25 H new ATOM 1645 N GLN A 133 2.772 7.383 -5.545 1.00 0.28 N ATOM 1646 CA GLN A 133 3.097 7.920 -6.847 1.00 0.38 C ATOM 1647 C GLN A 133 1.928 8.739 -7.381 1.00 0.37 C ATOM 1648 O GLN A 133 2.102 9.521 -8.304 1.00 0.47 O ATOM 1649 CB GLN A 133 3.542 6.809 -7.818 1.00 0.58 C ATOM 1650 CG GLN A 133 2.468 5.797 -8.167 1.00 0.79 C ATOM 1651 CD GLN A 133 3.031 4.442 -8.559 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.319 4.185 -9.726 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.187 3.568 -7.573 1.00 0.31 N ATOM 0 H GLN A 133 2.304 6.477 -5.563 1.00 0.28 H new ATOM 0 HA GLN A 133 3.949 8.593 -6.750 1.00 0.38 H new ATOM 0 HB2 GLN A 133 3.897 7.272 -8.739 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.389 6.281 -7.379 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.802 5.674 -7.313 1.00 0.79 H new ATOM 0 HG3 GLN A 133 1.865 6.185 -8.988 1.00 0.79 H new ATOM 0 HE21 GLN A 133 2.934 3.825 -6.619 1.00 0.31 H new ATOM 0 HE22 GLN A 133 3.560 2.639 -7.769 1.00 0.31 H new ATOM 1662 N LYS A 134 0.731 8.547 -6.807 1.00 0.36 N ATOM 1663 CA LYS A 134 -0.395 9.472 -6.974 1.00 0.44 C ATOM 1664 C LYS A 134 0.038 10.919 -6.920 1.00 0.50 C ATOM 1665 O LYS A 134 -0.372 11.731 -7.740 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.424 9.236 -5.863 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.612 8.434 -6.296 1.00 1.04 C ATOM 1668 CD LYS A 134 -2.197 7.069 -6.780 1.00 1.77 C ATOM 1669 CE LYS A 134 -3.195 6.591 -7.790 1.00 2.51 C ATOM 1670 NZ LYS A 134 -2.860 5.265 -8.365 1.00 3.42 N ATOM 0 H LYS A 134 0.518 7.745 -6.214 1.00 0.36 H new ATOM 0 HA LYS A 134 -0.825 9.278 -7.957 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -0.937 8.725 -5.032 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -1.766 10.200 -5.488 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -3.309 8.332 -5.464 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -3.140 8.960 -7.091 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -1.202 7.112 -7.224 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -2.143 6.372 -5.944 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -4.178 6.538 -7.322 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -3.264 7.322 -8.596 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -3.297 5.174 -9.305 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -1.828 5.175 -8.453 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -3.221 4.515 -7.741 1.00 3.42 H new ATOM 1684 N GLU A 135 0.846 11.230 -5.932 1.00 0.57 N ATOM 1685 CA GLU A 135 1.361 12.582 -5.738 1.00 0.78 C ATOM 1686 C GLU A 135 2.167 13.042 -6.957 1.00 0.87 C ATOM 1687 O GLU A 135 2.244 14.231 -7.251 1.00 1.08 O ATOM 1688 CB GLU A 135 2.224 12.616 -4.476 1.00 0.91 C ATOM 1689 CG GLU A 135 1.985 13.830 -3.588 1.00 1.30 C ATOM 1690 CD GLU A 135 2.365 15.139 -4.248 1.00 1.73 C ATOM 1691 OE1 GLU A 135 3.566 15.367 -4.481 1.00 2.31 O ATOM 1692 OE2 GLU A 135 1.460 15.950 -4.536 1.00 2.15 O ATOM 0 H GLU A 135 1.169 10.558 -5.236 1.00 0.57 H new ATOM 0 HA GLU A 135 0.522 13.268 -5.621 1.00 0.78 H new ATOM 0 HB2 GLU A 135 2.035 11.713 -3.896 1.00 0.91 H new ATOM 0 HB3 GLU A 135 3.274 12.594 -4.767 1.00 0.91 H new ATOM 0 HG2 GLU A 135 0.932 13.865 -3.307 1.00 1.30 H new ATOM 0 HG3 GLU A 135 2.557 13.716 -2.667 1.00 1.30 H new ATOM 1699 N ASP A 136 2.759 12.089 -7.664 1.00 0.86 N ATOM 1700 CA ASP A 136 3.486 12.382 -8.895 1.00 1.09 C ATOM 1701 C ASP A 136 2.507 12.437 -10.066 1.00 1.29 C ATOM 1702 O ASP A 136 2.746 13.114 -11.067 1.00 1.78 O ATOM 1703 CB ASP A 136 4.556 11.311 -9.137 1.00 1.62 C ATOM 1704 CG ASP A 136 5.449 11.614 -10.327 1.00 1.94 C ATOM 1705 OD1 ASP A 136 6.317 12.507 -10.218 1.00 2.14 O ATOM 1706 OD2 ASP A 136 5.256 10.987 -11.392 1.00 2.53 O ATOM 0 H ASP A 136 2.751 11.102 -7.406 1.00 0.86 H new ATOM 0 HA ASP A 136 3.980 13.349 -8.804 1.00 1.09 H new ATOM 0 HB2 ASP A 136 5.173 11.215 -8.244 1.00 1.62 H new ATOM 0 HB3 ASP A 136 4.069 10.349 -9.293 1.00 1.62 H new ATOM 1711 N VAL A 137 1.403 11.715 -9.918 1.00 1.29 N ATOM 1712 CA VAL A 137 0.323 11.714 -10.901 1.00 1.83 C ATOM 1713 C VAL A 137 -0.394 13.067 -10.918 1.00 2.01 C ATOM 1714 O VAL A 137 -0.661 13.629 -11.981 1.00 2.52 O ATOM 1715 CB VAL A 137 -0.722 10.608 -10.597 1.00 2.28 C ATOM 1716 CG1 VAL A 137 -1.769 10.533 -11.699 1.00 2.82 C ATOM 1717 CG2 VAL A 137 -0.059 9.251 -10.401 1.00 2.60 C ATOM 0 H VAL A 137 1.230 11.113 -9.113 1.00 1.29 H new ATOM 0 HA VAL A 137 0.778 11.520 -11.872 1.00 1.83 H new ATOM 0 HB VAL A 137 -1.218 10.876 -9.664 1.00 2.28 H new ATOM 0 HG11 VAL A 137 -2.490 9.750 -11.463 1.00 2.82 H new ATOM 0 HG12 VAL A 137 -2.285 11.490 -11.777 1.00 2.82 H new ATOM 0 HG13 VAL A 137 -1.283 10.305 -12.648 1.00 2.82 H new ATOM 0 HG21 VAL A 137 -0.821 8.501 -10.190 1.00 2.60 H new ATOM 0 HG22 VAL A 137 0.480 8.975 -11.307 1.00 2.60 H new ATOM 0 HG23 VAL A 137 0.639 9.304 -9.565 1.00 2.60 H new ATOM 1727 N LYS A 138 -0.710 13.577 -9.731 1.00 2.28 N ATOM 1728 CA LYS A 138 -1.426 14.844 -9.596 1.00 2.78 C ATOM 1729 C LYS A 138 -0.482 16.032 -9.750 1.00 3.41 C ATOM 1730 O LYS A 138 -0.555 16.713 -10.794 1.00 4.06 O ATOM 1731 CB LYS A 138 -2.160 14.925 -8.251 1.00 3.26 C ATOM 1732 CG LYS A 138 -1.296 14.564 -7.053 1.00 3.81 C ATOM 1733 CD LYS A 138 -1.745 15.286 -5.793 1.00 4.63 C ATOM 1734 CE LYS A 138 -1.525 16.786 -5.915 1.00 5.26 C ATOM 1735 NZ LYS A 138 -0.117 17.110 -6.273 1.00 5.57 N ATOM 1736 OXT LYS A 138 0.324 16.289 -8.832 1.00 3.77 O ATOM 0 H LYS A 138 -0.480 13.130 -8.843 1.00 2.28 H new ATOM 0 HA LYS A 138 -2.165 14.885 -10.396 1.00 2.78 H new ATOM 0 HB2 LYS A 138 -2.543 15.937 -8.118 1.00 3.26 H new ATOM 0 HB3 LYS A 138 -3.022 14.259 -8.278 1.00 3.26 H new ATOM 0 HG2 LYS A 138 -1.335 13.487 -6.888 1.00 3.81 H new ATOM 0 HG3 LYS A 138 -0.257 14.816 -7.265 1.00 3.81 H new ATOM 0 HD2 LYS A 138 -2.800 15.084 -5.610 1.00 4.63 H new ATOM 0 HD3 LYS A 138 -1.194 14.903 -4.934 1.00 4.63 H new ATOM 0 HE2 LYS A 138 -2.195 17.191 -6.673 1.00 5.26 H new ATOM 0 HE3 LYS A 138 -1.781 17.269 -4.972 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 0.107 18.076 -5.961 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 0.524 16.438 -5.805 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 0.003 17.043 -7.304 1.00 5.57 H new TER 1750 LYS A 138