USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 840 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 85 THR OG1 : rot 180:sc= -0.0433 USER MOD Set 1.2: A 86 SER OG : rot 47:sc= 0.69 USER MOD Set 2.1: A 67 GLN : amide:sc= -0.949 K(o=-1.8,f=-1.1) USER MOD Set 2.2: A 71 ASN : amide:sc= -0.805 K(o=-1.8,f=-3.1!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -173:sc= 0.11 (180deg=0.0353) USER MOD Set 3.2: A 37 MET CE :methyl -157:sc= -1.54 (180deg=-2.55) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -111:sc= 0.147 USER MOD Single : A 6 ASN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.164 (180deg=-0.792) USER MOD Single : A 10 THR OG1 : rot 10:sc= 0.531 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -0.902 (180deg=-2.37) USER MOD Single : A 23 MET CE :methyl -161:sc= -0.121 (180deg=-0.561) USER MOD Single : A 28 TYR OH : rot -25:sc= 0.314 USER MOD Single : A 32 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 39 MET CE :methyl -155:sc= -0.214 (180deg=-0.972) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.533 USER MOD Single : A 41 ASN : amide:sc= -8.67! C(o=-8.7!,f=-8.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 97:sc= 1.25 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 69 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.012) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 85:sc= -0.593! USER MOD Single : A 80 ASN : amide:sc= -2.98! K(o=-3!,f=-1.6) USER MOD Single : A 82 ASN : amide:sc= -3.03! K(o=-3!,f=-0.24) USER MOD Single : A 87 SER OG : rot 180:sc= 0.442 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.523 (180deg=-1.42) USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.446) USER MOD Single : A 96 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.8) USER MOD Single : A 97 TYR OH : rot 100:sc= -2.17 USER MOD Single : A 99 GLN : amide:sc= -1.31! X(o=-1.3!,f=-0.88) USER MOD Single : A 100 CYS SG : rot 180:sc= -2.5! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 160:sc= -3.9! (180deg=-4.63!) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -13.297 -10.404 -0.887 1.00 1.12 N ATOM 26 CA THR A 3 -12.458 -9.312 -0.407 1.00 0.81 C ATOM 27 C THR A 3 -11.201 -9.171 -1.259 1.00 0.72 C ATOM 28 O THR A 3 -10.847 -8.071 -1.683 1.00 0.87 O ATOM 29 CB THR A 3 -12.044 -9.520 1.061 1.00 2.03 C ATOM 30 OG1 THR A 3 -11.234 -10.696 1.180 1.00 2.79 O ATOM 31 CG2 THR A 3 -13.268 -9.650 1.955 1.00 2.21 C ATOM 0 HA THR A 3 -13.053 -8.402 -0.483 1.00 0.81 H new ATOM 0 HB THR A 3 -11.470 -8.650 1.380 1.00 2.03 H new ATOM 0 HG1 THR A 3 -10.974 -10.820 2.117 1.00 2.79 H new ATOM 0 HG21 THR A 3 -12.951 -9.796 2.987 1.00 2.21 H new ATOM 0 HG22 THR A 3 -13.868 -8.743 1.885 1.00 2.21 H new ATOM 0 HG23 THR A 3 -13.864 -10.504 1.634 1.00 2.21 H new ATOM 39 N THR A 4 -10.533 -10.293 -1.505 1.00 0.63 N ATOM 40 CA THR A 4 -9.315 -10.300 -2.305 1.00 0.58 C ATOM 41 C THR A 4 -9.520 -11.048 -3.616 1.00 0.56 C ATOM 42 O THR A 4 -10.485 -11.795 -3.776 1.00 0.75 O ATOM 43 CB THR A 4 -8.143 -10.951 -1.544 1.00 0.73 C ATOM 44 OG1 THR A 4 -8.508 -12.269 -1.118 1.00 0.93 O ATOM 45 CG2 THR A 4 -7.744 -10.115 -0.337 1.00 0.89 C ATOM 0 H THR A 4 -10.816 -11.211 -1.161 1.00 0.63 H new ATOM 0 HA THR A 4 -9.074 -9.258 -2.514 1.00 0.58 H new ATOM 0 HB THR A 4 -7.290 -11.009 -2.220 1.00 0.73 H new ATOM 0 HG1 THR A 4 -7.758 -12.677 -0.637 1.00 0.93 H new ATOM 0 HG21 THR A 4 -6.915 -10.597 0.182 1.00 0.89 H new ATOM 0 HG22 THR A 4 -7.437 -9.123 -0.667 1.00 0.89 H new ATOM 0 HG23 THR A 4 -8.593 -10.026 0.340 1.00 0.89 H new ATOM 53 N THR A 5 -8.601 -10.836 -4.551 1.00 0.47 N ATOM 54 CA THR A 5 -8.658 -11.487 -5.851 1.00 0.52 C ATOM 55 C THR A 5 -7.946 -12.834 -5.801 1.00 0.69 C ATOM 56 O THR A 5 -7.129 -13.077 -4.914 1.00 1.62 O ATOM 57 CB THR A 5 -8.007 -10.601 -6.938 1.00 0.43 C ATOM 58 OG1 THR A 5 -8.727 -9.369 -7.060 1.00 0.49 O ATOM 59 CG2 THR A 5 -7.967 -11.303 -8.289 1.00 0.50 C ATOM 0 H THR A 5 -7.802 -10.213 -4.430 1.00 0.47 H new ATOM 0 HA THR A 5 -9.707 -11.642 -6.103 1.00 0.52 H new ATOM 0 HB THR A 5 -6.980 -10.402 -6.630 1.00 0.43 H new ATOM 0 HG1 THR A 5 -9.197 -9.349 -7.920 1.00 0.49 H new ATOM 0 HG21 THR A 5 -7.502 -10.648 -9.026 1.00 0.50 H new ATOM 0 HG22 THR A 5 -7.388 -12.222 -8.204 1.00 0.50 H new ATOM 0 HG23 THR A 5 -8.982 -11.542 -8.605 1.00 0.50 H new ATOM 67 N ASN A 6 -8.260 -13.711 -6.747 1.00 0.63 N ATOM 68 CA ASN A 6 -7.625 -15.019 -6.806 1.00 0.68 C ATOM 69 C ASN A 6 -6.135 -14.865 -7.103 1.00 0.57 C ATOM 70 O ASN A 6 -5.401 -15.850 -7.189 1.00 0.62 O ATOM 71 CB ASN A 6 -8.287 -15.888 -7.875 1.00 0.82 C ATOM 72 CG ASN A 6 -9.756 -16.134 -7.593 1.00 1.42 C ATOM 73 OD1 ASN A 6 -10.121 -17.117 -6.947 1.00 2.05 O ATOM 74 ND2 ASN A 6 -10.610 -15.238 -8.076 1.00 2.12 N ATOM 0 H ASN A 6 -8.948 -13.540 -7.480 1.00 0.63 H new ATOM 0 HA ASN A 6 -7.745 -15.508 -5.839 1.00 0.68 H new ATOM 0 HB2 ASN A 6 -8.182 -15.406 -8.847 1.00 0.82 H new ATOM 0 HB3 ASN A 6 -7.767 -16.844 -7.936 1.00 0.82 H new ATOM 0 HD21 ASN A 6 -11.611 -15.350 -7.917 1.00 2.12 H new ATOM 0 HD22 ASN A 6 -10.264 -14.438 -8.606 1.00 2.12 H new ATOM 81 N GLU A 7 -5.700 -13.615 -7.258 1.00 0.47 N ATOM 82 CA GLU A 7 -4.305 -13.312 -7.544 1.00 0.40 C ATOM 83 C GLU A 7 -3.590 -12.767 -6.313 1.00 0.42 C ATOM 84 O GLU A 7 -3.811 -11.625 -5.916 1.00 0.50 O ATOM 85 CB GLU A 7 -4.213 -12.286 -8.669 1.00 0.37 C ATOM 86 CG GLU A 7 -3.472 -12.788 -9.895 1.00 0.42 C ATOM 87 CD GLU A 7 -4.141 -13.992 -10.529 1.00 0.94 C ATOM 88 OE1 GLU A 7 -5.040 -13.795 -11.372 1.00 0.85 O ATOM 89 OE2 GLU A 7 -3.765 -15.131 -10.181 1.00 1.65 O ATOM 0 H GLU A 7 -6.301 -12.794 -7.189 1.00 0.47 H new ATOM 0 HA GLU A 7 -3.820 -14.241 -7.845 1.00 0.40 H new ATOM 0 HB2 GLU A 7 -5.220 -11.989 -8.961 1.00 0.37 H new ATOM 0 HB3 GLU A 7 -3.713 -11.393 -8.294 1.00 0.37 H new ATOM 0 HG2 GLU A 7 -3.406 -11.985 -10.629 1.00 0.42 H new ATOM 0 HG3 GLU A 7 -2.451 -13.049 -9.616 1.00 0.42 H new ATOM 96 N LYS A 8 -2.720 -13.580 -5.730 1.00 0.40 N ATOM 97 CA LYS A 8 -1.961 -13.177 -4.550 1.00 0.44 C ATOM 98 C LYS A 8 -0.726 -12.386 -4.966 1.00 0.41 C ATOM 99 O LYS A 8 -0.337 -11.416 -4.316 1.00 0.45 O ATOM 100 CB LYS A 8 -1.568 -14.422 -3.738 1.00 0.55 C ATOM 101 CG LYS A 8 -0.069 -14.660 -3.619 1.00 0.60 C ATOM 102 CD LYS A 8 0.557 -13.792 -2.539 1.00 0.58 C ATOM 103 CE LYS A 8 2.055 -13.649 -2.730 1.00 0.70 C ATOM 104 NZ LYS A 8 2.720 -13.115 -1.510 1.00 1.44 N ATOM 0 H LYS A 8 -2.521 -14.526 -6.055 1.00 0.40 H new ATOM 0 HA LYS A 8 -2.579 -12.535 -3.923 1.00 0.44 H new ATOM 0 HB2 LYS A 8 -1.988 -14.332 -2.736 1.00 0.55 H new ATOM 0 HB3 LYS A 8 -2.025 -15.298 -4.198 1.00 0.55 H new ATOM 0 HG2 LYS A 8 0.115 -15.710 -3.393 1.00 0.60 H new ATOM 0 HG3 LYS A 8 0.409 -14.451 -4.576 1.00 0.60 H new ATOM 0 HD2 LYS A 8 0.093 -12.806 -2.551 1.00 0.58 H new ATOM 0 HD3 LYS A 8 0.355 -14.227 -1.560 1.00 0.58 H new ATOM 0 HE2 LYS A 8 2.483 -14.619 -2.982 1.00 0.70 H new ATOM 0 HE3 LYS A 8 2.252 -12.985 -3.572 1.00 0.70 H new ATOM 0 HZ1 LYS A 8 3.660 -12.747 -1.760 1.00 1.44 H new ATOM 0 HZ2 LYS A 8 2.144 -12.348 -1.108 1.00 1.44 H new ATOM 0 HZ3 LYS A 8 2.821 -13.876 -0.809 1.00 1.44 H new ATOM 118 N ILE A 9 -0.134 -12.817 -6.065 1.00 0.42 N ATOM 119 CA ILE A 9 1.071 -12.203 -6.610 1.00 0.43 C ATOM 120 C ILE A 9 0.762 -11.048 -7.561 1.00 0.36 C ATOM 121 O ILE A 9 -0.364 -10.552 -7.608 1.00 0.32 O ATOM 122 CB ILE A 9 1.908 -13.257 -7.358 1.00 0.49 C ATOM 123 CG1 ILE A 9 1.004 -14.263 -8.097 1.00 0.53 C ATOM 124 CG2 ILE A 9 2.805 -13.983 -6.371 1.00 0.62 C ATOM 125 CD1 ILE A 9 -0.184 -13.642 -8.812 1.00 0.51 C ATOM 0 H ILE A 9 -0.475 -13.608 -6.611 1.00 0.42 H new ATOM 0 HA ILE A 9 1.629 -11.801 -5.765 1.00 0.43 H new ATOM 0 HB ILE A 9 2.521 -12.750 -8.103 1.00 0.49 H new ATOM 0 HG12 ILE A 9 1.607 -14.805 -8.826 1.00 0.53 H new ATOM 0 HG13 ILE A 9 0.636 -14.996 -7.379 1.00 0.53 H new ATOM 0 HG21 ILE A 9 3.398 -14.729 -6.899 1.00 0.62 H new ATOM 0 HG22 ILE A 9 3.470 -13.267 -5.888 1.00 0.62 H new ATOM 0 HG23 ILE A 9 2.192 -14.475 -5.616 1.00 0.62 H new ATOM 0 HD11 ILE A 9 -0.763 -14.424 -9.303 1.00 0.51 H new ATOM 0 HD12 ILE A 9 -0.814 -13.125 -8.089 1.00 0.51 H new ATOM 0 HD13 ILE A 9 0.171 -12.931 -9.558 1.00 0.51 H new ATOM 137 N THR A 10 1.775 -10.631 -8.325 1.00 0.38 N ATOM 138 CA THR A 10 1.619 -9.540 -9.280 1.00 0.36 C ATOM 139 C THR A 10 2.828 -9.422 -10.213 1.00 0.42 C ATOM 140 O THR A 10 2.927 -8.487 -11.007 1.00 0.57 O ATOM 141 CB THR A 10 1.386 -8.201 -8.563 1.00 0.37 C ATOM 142 OG1 THR A 10 1.563 -7.105 -9.468 1.00 0.34 O ATOM 143 CG2 THR A 10 2.331 -8.057 -7.387 1.00 0.39 C ATOM 0 H THR A 10 2.711 -11.035 -8.298 1.00 0.38 H new ATOM 0 HA THR A 10 0.742 -9.776 -9.883 1.00 0.36 H new ATOM 0 HB THR A 10 0.360 -8.188 -8.195 1.00 0.37 H new ATOM 0 HG1 THR A 10 1.643 -7.446 -10.383 1.00 0.34 H new ATOM 0 HG21 THR A 10 2.152 -7.103 -6.891 1.00 0.39 H new ATOM 0 HG22 THR A 10 2.161 -8.870 -6.682 1.00 0.39 H new ATOM 0 HG23 THR A 10 3.361 -8.094 -7.741 1.00 0.39 H new ATOM 151 N LYS A 11 3.756 -10.364 -10.110 1.00 0.43 N ATOM 152 CA LYS A 11 4.926 -10.367 -10.982 1.00 0.52 C ATOM 153 C LYS A 11 4.469 -10.703 -12.398 1.00 0.54 C ATOM 154 O LYS A 11 5.075 -10.291 -13.388 1.00 0.65 O ATOM 155 CB LYS A 11 5.952 -11.386 -10.478 1.00 0.61 C ATOM 156 CG LYS A 11 7.324 -11.291 -11.134 1.00 0.71 C ATOM 157 CD LYS A 11 7.338 -11.943 -12.507 1.00 1.08 C ATOM 158 CE LYS A 11 6.661 -13.304 -12.501 1.00 0.69 C ATOM 159 NZ LYS A 11 7.040 -14.123 -13.685 1.00 1.09 N ATOM 0 H LYS A 11 3.724 -11.130 -9.438 1.00 0.43 H new ATOM 0 HA LYS A 11 5.404 -9.388 -10.980 1.00 0.52 H new ATOM 0 HB2 LYS A 11 6.070 -11.259 -9.402 1.00 0.61 H new ATOM 0 HB3 LYS A 11 5.556 -12.389 -10.640 1.00 0.61 H new ATOM 0 HG2 LYS A 11 7.612 -10.244 -11.226 1.00 0.71 H new ATOM 0 HG3 LYS A 11 8.066 -11.771 -10.496 1.00 0.71 H new ATOM 0 HD2 LYS A 11 6.835 -11.292 -13.222 1.00 1.08 H new ATOM 0 HD3 LYS A 11 8.368 -12.053 -12.845 1.00 1.08 H new ATOM 0 HE2 LYS A 11 6.930 -13.838 -11.590 1.00 0.69 H new ATOM 0 HE3 LYS A 11 5.579 -13.170 -12.484 1.00 0.69 H new ATOM 0 HZ1 LYS A 11 6.556 -15.042 -13.641 1.00 1.09 H new ATOM 0 HZ2 LYS A 11 6.760 -13.626 -14.555 1.00 1.09 H new ATOM 0 HZ3 LYS A 11 8.069 -14.273 -13.688 1.00 1.09 H new ATOM 173 N LEU A 12 3.360 -11.431 -12.466 1.00 0.56 N ATOM 174 CA LEU A 12 2.758 -11.844 -13.727 1.00 0.72 C ATOM 175 C LEU A 12 2.469 -10.638 -14.618 1.00 0.94 C ATOM 176 O LEU A 12 2.516 -10.734 -15.844 1.00 1.09 O ATOM 177 CB LEU A 12 1.470 -12.627 -13.456 1.00 0.85 C ATOM 178 CG LEU A 12 0.594 -12.897 -14.682 1.00 1.76 C ATOM 179 CD1 LEU A 12 1.318 -13.797 -15.671 1.00 2.45 C ATOM 180 CD2 LEU A 12 -0.730 -13.519 -14.262 1.00 2.34 C ATOM 0 H LEU A 12 2.851 -11.753 -11.643 1.00 0.56 H new ATOM 0 HA LEU A 12 3.464 -12.487 -14.252 1.00 0.72 H new ATOM 0 HB2 LEU A 12 1.734 -13.582 -13.002 1.00 0.85 H new ATOM 0 HB3 LEU A 12 0.879 -12.078 -12.722 1.00 0.85 H new ATOM 0 HG LEU A 12 0.388 -11.946 -15.174 1.00 1.76 H new ATOM 0 HD11 LEU A 12 0.678 -13.977 -16.535 1.00 2.45 H new ATOM 0 HD12 LEU A 12 2.239 -13.314 -15.996 1.00 2.45 H new ATOM 0 HD13 LEU A 12 1.556 -14.747 -15.192 1.00 2.45 H new ATOM 0 HD21 LEU A 12 -1.341 -13.705 -15.145 1.00 2.34 H new ATOM 0 HD22 LEU A 12 -0.542 -14.461 -13.746 1.00 2.34 H new ATOM 0 HD23 LEU A 12 -1.256 -12.838 -13.593 1.00 2.34 H new ATOM 261 N GLU A 18 9.596 -4.451 -18.398 1.00 1.16 N ATOM 262 CA GLU A 18 9.533 -3.718 -17.136 1.00 0.97 C ATOM 263 C GLU A 18 10.113 -4.537 -15.992 1.00 0.88 C ATOM 264 O GLU A 18 9.422 -4.821 -15.019 1.00 0.81 O ATOM 265 CB GLU A 18 8.086 -3.325 -16.822 1.00 0.88 C ATOM 266 CG GLU A 18 7.476 -2.359 -17.827 1.00 1.36 C ATOM 267 CD GLU A 18 7.273 -2.984 -19.194 1.00 1.94 C ATOM 268 OE1 GLU A 18 6.252 -3.678 -19.383 1.00 2.24 O ATOM 269 OE2 GLU A 18 8.132 -2.777 -20.076 1.00 2.69 O ATOM 0 HA GLU A 18 10.133 -2.814 -17.243 1.00 0.97 H new ATOM 0 HB2 GLU A 18 7.475 -4.227 -16.784 1.00 0.88 H new ATOM 0 HB3 GLU A 18 8.050 -2.873 -15.831 1.00 0.88 H new ATOM 0 HG2 GLU A 18 6.517 -2.005 -17.448 1.00 1.36 H new ATOM 0 HG3 GLU A 18 8.122 -1.486 -17.924 1.00 1.36 H new ATOM 276 N PRO A 19 11.398 -4.923 -16.089 1.00 0.92 N ATOM 277 CA PRO A 19 12.058 -5.701 -15.041 1.00 0.87 C ATOM 278 C PRO A 19 12.172 -4.907 -13.750 1.00 0.77 C ATOM 279 O PRO A 19 12.224 -5.475 -12.661 1.00 0.77 O ATOM 280 CB PRO A 19 13.446 -5.991 -15.622 1.00 0.98 C ATOM 281 CG PRO A 19 13.660 -4.924 -16.639 1.00 1.05 C ATOM 282 CD PRO A 19 12.306 -4.635 -17.214 1.00 1.05 C ATOM 0 HA PRO A 19 11.505 -6.604 -14.784 1.00 0.87 H new ATOM 0 HB2 PRO A 19 14.213 -5.961 -14.849 1.00 0.98 H new ATOM 0 HB3 PRO A 19 13.487 -6.982 -16.073 1.00 0.98 H new ATOM 0 HG2 PRO A 19 14.091 -4.032 -16.186 1.00 1.05 H new ATOM 0 HG3 PRO A 19 14.352 -5.254 -17.414 1.00 1.05 H new ATOM 0 HD2 PRO A 19 12.221 -3.600 -17.546 1.00 1.05 H new ATOM 0 HD3 PRO A 19 12.091 -5.265 -18.077 1.00 1.05 H new ATOM 290 N GLU A 20 12.203 -3.586 -13.884 1.00 0.72 N ATOM 291 CA GLU A 20 12.300 -2.706 -12.731 1.00 0.64 C ATOM 292 C GLU A 20 10.993 -2.711 -11.950 1.00 0.56 C ATOM 293 O GLU A 20 10.988 -2.904 -10.735 1.00 0.46 O ATOM 294 CB GLU A 20 12.643 -1.282 -13.173 1.00 0.65 C ATOM 295 CG GLU A 20 13.960 -1.180 -13.924 1.00 0.74 C ATOM 296 CD GLU A 20 14.308 0.248 -14.298 1.00 1.61 C ATOM 297 OE1 GLU A 20 13.882 0.700 -15.381 1.00 2.56 O ATOM 298 OE2 GLU A 20 15.009 0.914 -13.506 1.00 1.54 O ATOM 0 H GLU A 20 12.162 -3.103 -14.781 1.00 0.72 H new ATOM 0 HA GLU A 20 13.097 -3.072 -12.084 1.00 0.64 H new ATOM 0 HB2 GLU A 20 11.842 -0.905 -13.808 1.00 0.65 H new ATOM 0 HB3 GLU A 20 12.684 -0.638 -12.295 1.00 0.65 H new ATOM 0 HG2 GLU A 20 14.758 -1.596 -13.309 1.00 0.74 H new ATOM 0 HG3 GLU A 20 13.906 -1.786 -14.828 1.00 0.74 H new ATOM 305 N ARG A 21 9.885 -2.496 -12.655 1.00 0.61 N ATOM 306 CA ARG A 21 8.575 -2.490 -12.015 1.00 0.55 C ATOM 307 C ARG A 21 8.184 -3.898 -11.589 1.00 0.49 C ATOM 308 O ARG A 21 7.520 -4.083 -10.569 1.00 0.40 O ATOM 309 CB ARG A 21 7.519 -1.883 -12.941 1.00 0.63 C ATOM 310 CG ARG A 21 7.495 -0.361 -12.913 1.00 0.78 C ATOM 311 CD ARG A 21 8.748 0.238 -13.534 1.00 1.54 C ATOM 312 NE ARG A 21 8.800 0.027 -14.977 1.00 2.01 N ATOM 313 CZ ARG A 21 9.837 0.372 -15.735 1.00 2.86 C ATOM 314 NH1 ARG A 21 10.905 0.937 -15.187 1.00 3.36 N ATOM 315 NH2 ARG A 21 9.808 0.152 -17.042 1.00 3.57 N ATOM 0 H ARG A 21 9.869 -2.325 -13.660 1.00 0.61 H new ATOM 0 HA ARG A 21 8.632 -1.868 -11.122 1.00 0.55 H new ATOM 0 HB2 ARG A 21 7.705 -2.218 -13.961 1.00 0.63 H new ATOM 0 HB3 ARG A 21 6.537 -2.260 -12.656 1.00 0.63 H new ATOM 0 HG2 ARG A 21 6.617 -0.002 -13.450 1.00 0.78 H new ATOM 0 HG3 ARG A 21 7.401 -0.018 -11.883 1.00 0.78 H new ATOM 0 HD2 ARG A 21 8.781 1.307 -13.323 1.00 1.54 H new ATOM 0 HD3 ARG A 21 9.629 -0.206 -13.071 1.00 1.54 H new ATOM 0 HE ARG A 21 7.997 -0.409 -15.429 1.00 2.01 H new ATOM 0 HH11 ARG A 21 10.932 1.108 -14.182 1.00 3.36 H new ATOM 0 HH12 ARG A 21 11.699 1.200 -15.771 1.00 3.36 H new ATOM 0 HH21 ARG A 21 8.989 -0.283 -17.468 1.00 3.57 H new ATOM 0 HH22 ARG A 21 10.604 0.417 -17.622 1.00 3.57 H new ATOM 329 N LYS A 22 8.596 -4.888 -12.372 1.00 0.56 N ATOM 330 CA LYS A 22 8.301 -6.274 -12.051 1.00 0.54 C ATOM 331 C LYS A 22 9.122 -6.697 -10.837 1.00 0.48 C ATOM 332 O LYS A 22 8.681 -7.514 -10.031 1.00 0.44 O ATOM 333 CB LYS A 22 8.571 -7.177 -13.262 1.00 0.68 C ATOM 334 CG LYS A 22 9.596 -8.273 -13.025 1.00 0.64 C ATOM 335 CD LYS A 22 10.128 -8.811 -14.339 1.00 0.72 C ATOM 336 CE LYS A 22 11.419 -9.579 -14.125 1.00 0.79 C ATOM 337 NZ LYS A 22 12.565 -8.669 -13.849 1.00 1.43 N ATOM 0 H LYS A 22 9.133 -4.755 -13.229 1.00 0.56 H new ATOM 0 HA LYS A 22 7.244 -6.376 -11.804 1.00 0.54 H new ATOM 0 HB2 LYS A 22 7.632 -7.638 -13.570 1.00 0.68 H new ATOM 0 HB3 LYS A 22 8.909 -6.556 -14.092 1.00 0.68 H new ATOM 0 HG2 LYS A 22 10.420 -7.883 -12.427 1.00 0.64 H new ATOM 0 HG3 LYS A 22 9.143 -9.083 -12.453 1.00 0.64 H new ATOM 0 HD2 LYS A 22 9.384 -9.462 -14.798 1.00 0.72 H new ATOM 0 HD3 LYS A 22 10.301 -7.987 -15.031 1.00 0.72 H new ATOM 0 HE2 LYS A 22 11.296 -10.271 -13.292 1.00 0.79 H new ATOM 0 HE3 LYS A 22 11.636 -10.179 -15.009 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 13.220 -9.128 -13.184 1.00 1.43 H new ATOM 0 HZ2 LYS A 22 13.063 -8.459 -14.737 1.00 1.43 H new ATOM 0 HZ3 LYS A 22 12.213 -7.784 -13.432 1.00 1.43 H new ATOM 351 N MET A 23 10.330 -6.140 -10.724 1.00 0.50 N ATOM 352 CA MET A 23 11.192 -6.439 -9.588 1.00 0.48 C ATOM 353 C MET A 23 10.603 -5.826 -8.329 1.00 0.39 C ATOM 354 O MET A 23 10.517 -6.482 -7.299 1.00 0.38 O ATOM 355 CB MET A 23 12.608 -5.903 -9.810 1.00 0.54 C ATOM 356 CG MET A 23 13.532 -6.126 -8.621 1.00 0.56 C ATOM 357 SD MET A 23 15.162 -5.389 -8.859 1.00 1.25 S ATOM 358 CE MET A 23 15.728 -6.274 -10.310 1.00 1.23 C ATOM 0 H MET A 23 10.727 -5.487 -11.400 1.00 0.50 H new ATOM 0 HA MET A 23 11.253 -7.522 -9.480 1.00 0.48 H new ATOM 0 HB2 MET A 23 13.037 -6.384 -10.689 1.00 0.54 H new ATOM 0 HB3 MET A 23 12.555 -4.836 -10.024 1.00 0.54 H new ATOM 0 HG2 MET A 23 13.074 -5.705 -7.726 1.00 0.56 H new ATOM 0 HG3 MET A 23 13.643 -7.196 -8.448 1.00 0.56 H new ATOM 0 HE1 MET A 23 16.812 -6.192 -10.386 1.00 1.23 H new ATOM 0 HE2 MET A 23 15.449 -7.324 -10.227 1.00 1.23 H new ATOM 0 HE3 MET A 23 15.268 -5.845 -11.200 1.00 1.23 H new ATOM 368 N TRP A 24 10.196 -4.562 -8.430 1.00 0.37 N ATOM 369 CA TRP A 24 9.598 -3.854 -7.302 1.00 0.31 C ATOM 370 C TRP A 24 8.332 -4.564 -6.842 1.00 0.25 C ATOM 371 O TRP A 24 8.089 -4.711 -5.645 1.00 0.29 O ATOM 372 CB TRP A 24 9.261 -2.408 -7.691 1.00 0.34 C ATOM 373 CG TRP A 24 10.407 -1.448 -7.566 1.00 0.44 C ATOM 374 CD1 TRP A 24 11.471 -1.534 -6.714 1.00 1.02 C ATOM 375 CD2 TRP A 24 10.587 -0.239 -8.312 1.00 0.95 C ATOM 376 NE1 TRP A 24 12.301 -0.452 -6.886 1.00 1.14 N ATOM 377 CE2 TRP A 24 11.780 0.356 -7.862 1.00 1.01 C ATOM 378 CE3 TRP A 24 9.855 0.396 -9.319 1.00 1.77 C ATOM 379 CZ2 TRP A 24 12.254 1.558 -8.384 1.00 1.49 C ATOM 380 CZ3 TRP A 24 10.327 1.587 -9.836 1.00 2.34 C ATOM 381 CH2 TRP A 24 11.517 2.158 -9.367 1.00 2.12 C ATOM 0 H TRP A 24 10.270 -4.007 -9.283 1.00 0.37 H new ATOM 0 HA TRP A 24 10.321 -3.844 -6.486 1.00 0.31 H new ATOM 0 HB2 TRP A 24 8.904 -2.396 -8.721 1.00 0.34 H new ATOM 0 HB3 TRP A 24 8.440 -2.058 -7.065 1.00 0.34 H new ATOM 0 HD1 TRP A 24 11.636 -2.335 -6.008 1.00 1.02 H new ATOM 0 HE1 TRP A 24 13.164 -0.279 -6.371 1.00 1.14 H new ATOM 0 HE3 TRP A 24 8.936 -0.037 -9.687 1.00 1.77 H new ATOM 0 HZ2 TRP A 24 13.171 2.000 -8.025 1.00 1.49 H new ATOM 0 HZ3 TRP A 24 9.769 2.086 -10.615 1.00 2.34 H new ATOM 0 HH2 TRP A 24 11.859 3.091 -9.790 1.00 2.12 H new ATOM 392 N VAL A 25 7.531 -4.999 -7.807 1.00 0.21 N ATOM 393 CA VAL A 25 6.289 -5.692 -7.511 1.00 0.20 C ATOM 394 C VAL A 25 6.574 -7.046 -6.847 1.00 0.22 C ATOM 395 O VAL A 25 5.992 -7.383 -5.807 1.00 0.22 O ATOM 396 CB VAL A 25 5.426 -5.869 -8.797 1.00 0.25 C ATOM 397 CG1 VAL A 25 5.510 -7.283 -9.356 1.00 0.32 C ATOM 398 CG2 VAL A 25 3.983 -5.486 -8.525 1.00 0.30 C ATOM 0 H VAL A 25 7.722 -4.883 -8.802 1.00 0.21 H new ATOM 0 HA VAL A 25 5.717 -5.083 -6.811 1.00 0.20 H new ATOM 0 HB VAL A 25 5.833 -5.200 -9.555 1.00 0.25 H new ATOM 0 HG11 VAL A 25 4.893 -7.358 -10.251 1.00 0.32 H new ATOM 0 HG12 VAL A 25 6.545 -7.513 -9.609 1.00 0.32 H new ATOM 0 HG13 VAL A 25 5.153 -7.991 -8.609 1.00 0.32 H new ATOM 0 HG21 VAL A 25 3.395 -5.616 -9.433 1.00 0.30 H new ATOM 0 HG22 VAL A 25 3.580 -6.123 -7.738 1.00 0.30 H new ATOM 0 HG23 VAL A 25 3.937 -4.444 -8.208 1.00 0.30 H new ATOM 408 N ASP A 26 7.500 -7.803 -7.432 1.00 0.28 N ATOM 409 CA ASP A 26 7.861 -9.114 -6.906 1.00 0.35 C ATOM 410 C ASP A 26 8.574 -8.982 -5.565 1.00 0.35 C ATOM 411 O ASP A 26 8.459 -9.853 -4.704 1.00 0.38 O ATOM 412 CB ASP A 26 8.750 -9.863 -7.900 1.00 0.45 C ATOM 413 CG ASP A 26 9.069 -11.272 -7.440 1.00 0.53 C ATOM 414 OD1 ASP A 26 10.049 -11.441 -6.685 1.00 0.58 O ATOM 415 OD2 ASP A 26 8.339 -12.204 -7.834 1.00 0.60 O ATOM 0 H ASP A 26 8.013 -7.529 -8.270 1.00 0.28 H new ATOM 0 HA ASP A 26 6.943 -9.682 -6.756 1.00 0.35 H new ATOM 0 HB2 ASP A 26 8.253 -9.904 -8.869 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.679 -9.310 -8.041 1.00 0.45 H new ATOM 420 N ARG A 27 9.310 -7.887 -5.397 1.00 0.36 N ATOM 421 CA ARG A 27 10.031 -7.640 -4.157 1.00 0.42 C ATOM 422 C ARG A 27 9.049 -7.213 -3.076 1.00 0.34 C ATOM 423 O ARG A 27 9.242 -7.500 -1.895 1.00 0.35 O ATOM 424 CB ARG A 27 11.124 -6.580 -4.379 1.00 0.56 C ATOM 425 CG ARG A 27 11.043 -5.370 -3.462 1.00 0.99 C ATOM 426 CD ARG A 27 11.713 -5.639 -2.127 1.00 1.61 C ATOM 427 NE ARG A 27 11.647 -4.481 -1.240 1.00 2.45 N ATOM 428 CZ ARG A 27 11.959 -4.520 0.050 1.00 3.19 C ATOM 429 NH1 ARG A 27 12.351 -5.657 0.608 1.00 3.22 N ATOM 430 NH2 ARG A 27 11.877 -3.420 0.785 1.00 4.08 N ATOM 0 H ARG A 27 9.421 -7.160 -6.103 1.00 0.36 H new ATOM 0 HA ARG A 27 10.524 -8.556 -3.830 1.00 0.42 H new ATOM 0 HB2 ARG A 27 12.098 -7.052 -4.248 1.00 0.56 H new ATOM 0 HB3 ARG A 27 11.072 -6.238 -5.413 1.00 0.56 H new ATOM 0 HG2 ARG A 27 11.518 -4.515 -3.943 1.00 0.99 H new ATOM 0 HG3 ARG A 27 9.998 -5.105 -3.299 1.00 0.99 H new ATOM 0 HD2 ARG A 27 11.234 -6.492 -1.646 1.00 1.61 H new ATOM 0 HD3 ARG A 27 12.756 -5.910 -2.293 1.00 1.61 H new ATOM 0 HE ARG A 27 11.344 -3.591 -1.634 1.00 2.45 H new ATOM 0 HH11 ARG A 27 12.414 -6.506 0.046 1.00 3.22 H new ATOM 0 HH12 ARG A 27 12.590 -5.683 1.599 1.00 3.22 H new ATOM 0 HH21 ARG A 27 11.574 -2.544 0.360 1.00 4.08 H new ATOM 0 HH22 ARG A 27 12.117 -3.450 1.776 1.00 4.08 H new ATOM 444 N TYR A 28 7.995 -6.520 -3.494 1.00 0.31 N ATOM 445 CA TYR A 28 6.964 -6.068 -2.573 1.00 0.35 C ATOM 446 C TYR A 28 6.241 -7.278 -1.995 1.00 0.33 C ATOM 447 O TYR A 28 6.022 -7.375 -0.783 1.00 0.38 O ATOM 448 CB TYR A 28 5.974 -5.159 -3.306 1.00 0.41 C ATOM 449 CG TYR A 28 5.092 -4.340 -2.391 1.00 0.72 C ATOM 450 CD1 TYR A 28 4.019 -4.923 -1.730 1.00 1.47 C ATOM 451 CD2 TYR A 28 5.334 -2.988 -2.183 1.00 0.98 C ATOM 452 CE1 TYR A 28 3.212 -4.183 -0.888 1.00 1.82 C ATOM 453 CE2 TYR A 28 4.531 -2.240 -1.343 1.00 1.22 C ATOM 454 CZ TYR A 28 3.467 -2.822 -0.719 1.00 1.48 C ATOM 455 OH TYR A 28 2.669 -2.102 0.140 1.00 1.87 O ATOM 0 H TYR A 28 7.834 -6.260 -4.467 1.00 0.31 H new ATOM 0 HA TYR A 28 7.421 -5.502 -1.761 1.00 0.35 H new ATOM 0 HB2 TYR A 28 6.530 -4.484 -3.956 1.00 0.41 H new ATOM 0 HB3 TYR A 28 5.342 -5.772 -3.949 1.00 0.41 H new ATOM 0 HD1 TYR A 28 3.812 -5.973 -1.877 1.00 1.47 H new ATOM 0 HD2 TYR A 28 6.164 -2.514 -2.686 1.00 0.98 H new ATOM 0 HE1 TYR A 28 2.392 -4.653 -0.366 1.00 1.82 H new ATOM 0 HE2 TYR A 28 4.746 -1.194 -1.181 1.00 1.22 H new ATOM 0 HH TYR A 28 1.798 -2.543 0.225 1.00 1.87 H new ATOM 465 N LEU A 29 5.889 -8.211 -2.873 1.00 0.34 N ATOM 466 CA LEU A 29 5.214 -9.429 -2.448 1.00 0.45 C ATOM 467 C LEU A 29 6.151 -10.270 -1.593 1.00 0.41 C ATOM 468 O LEU A 29 5.754 -10.802 -0.554 1.00 0.44 O ATOM 469 CB LEU A 29 4.719 -10.217 -3.662 1.00 0.59 C ATOM 470 CG LEU A 29 3.366 -9.755 -4.219 1.00 0.74 C ATOM 471 CD1 LEU A 29 2.232 -10.239 -3.334 1.00 0.97 C ATOM 472 CD2 LEU A 29 3.322 -8.238 -4.350 1.00 1.33 C ATOM 0 H LEU A 29 6.059 -8.147 -3.877 1.00 0.34 H new ATOM 0 HA LEU A 29 4.345 -9.163 -1.846 1.00 0.45 H new ATOM 0 HB2 LEU A 29 5.465 -10.146 -4.453 1.00 0.59 H new ATOM 0 HB3 LEU A 29 4.644 -11.269 -3.389 1.00 0.59 H new ATOM 0 HG LEU A 29 3.244 -10.189 -5.212 1.00 0.74 H new ATOM 0 HD11 LEU A 29 1.280 -9.902 -3.745 1.00 0.97 H new ATOM 0 HD12 LEU A 29 2.243 -11.328 -3.291 1.00 0.97 H new ATOM 0 HD13 LEU A 29 2.357 -9.835 -2.329 1.00 0.97 H new ATOM 0 HD21 LEU A 29 2.353 -7.935 -4.747 1.00 1.33 H new ATOM 0 HD22 LEU A 29 3.471 -7.784 -3.370 1.00 1.33 H new ATOM 0 HD23 LEU A 29 4.110 -7.908 -5.027 1.00 1.33 H new ATOM 484 N ALA A 30 7.402 -10.385 -2.030 1.00 0.41 N ATOM 485 CA ALA A 30 8.397 -11.130 -1.276 1.00 0.48 C ATOM 486 C ALA A 30 8.573 -10.483 0.087 1.00 0.38 C ATOM 487 O ALA A 30 8.858 -11.152 1.079 1.00 0.42 O ATOM 488 CB ALA A 30 9.722 -11.173 -2.022 1.00 0.63 C ATOM 0 H ALA A 30 7.746 -9.973 -2.897 1.00 0.41 H new ATOM 0 HA ALA A 30 8.056 -12.157 -1.150 1.00 0.48 H new ATOM 0 HB1 ALA A 30 10.450 -11.736 -1.438 1.00 0.63 H new ATOM 0 HB2 ALA A 30 9.580 -11.657 -2.988 1.00 0.63 H new ATOM 0 HB3 ALA A 30 10.087 -10.157 -2.175 1.00 0.63 H new ATOM 494 N PHE A 31 8.400 -9.163 0.117 1.00 0.33 N ATOM 495 CA PHE A 31 8.517 -8.402 1.349 1.00 0.37 C ATOM 496 C PHE A 31 7.397 -8.784 2.305 1.00 0.34 C ATOM 497 O PHE A 31 7.640 -9.016 3.487 1.00 0.38 O ATOM 498 CB PHE A 31 8.478 -6.899 1.063 1.00 0.48 C ATOM 499 CG PHE A 31 8.607 -6.049 2.295 1.00 0.65 C ATOM 500 CD1 PHE A 31 9.845 -5.830 2.878 1.00 0.78 C ATOM 501 CD2 PHE A 31 7.488 -5.471 2.872 1.00 0.82 C ATOM 502 CE1 PHE A 31 9.965 -5.050 4.011 1.00 0.95 C ATOM 503 CE2 PHE A 31 7.601 -4.690 4.007 1.00 0.99 C ATOM 504 CZ PHE A 31 8.841 -4.479 4.578 1.00 1.02 C ATOM 0 H PHE A 31 8.177 -8.601 -0.704 1.00 0.33 H new ATOM 0 HA PHE A 31 9.475 -8.638 1.812 1.00 0.37 H new ATOM 0 HB2 PHE A 31 9.283 -6.648 0.373 1.00 0.48 H new ATOM 0 HB3 PHE A 31 7.541 -6.657 0.561 1.00 0.48 H new ATOM 0 HD1 PHE A 31 10.727 -6.275 2.441 1.00 0.78 H new ATOM 0 HD2 PHE A 31 6.516 -5.632 2.430 1.00 0.82 H new ATOM 0 HE1 PHE A 31 10.936 -4.886 4.454 1.00 0.95 H new ATOM 0 HE2 PHE A 31 6.721 -4.245 4.447 1.00 0.99 H new ATOM 0 HZ PHE A 31 8.932 -3.870 5.465 1.00 1.02 H new ATOM 514 N THR A 32 6.171 -8.875 1.786 1.00 0.36 N ATOM 515 CA THR A 32 5.027 -9.245 2.618 1.00 0.46 C ATOM 516 C THR A 32 5.217 -10.646 3.178 1.00 0.43 C ATOM 517 O THR A 32 4.920 -10.909 4.343 1.00 0.48 O ATOM 518 CB THR A 32 3.698 -9.213 1.834 1.00 0.57 C ATOM 519 OG1 THR A 32 3.679 -10.259 0.856 1.00 0.56 O ATOM 520 CG2 THR A 32 3.496 -7.874 1.147 1.00 0.60 C ATOM 0 H THR A 32 5.947 -8.700 0.806 1.00 0.36 H new ATOM 0 HA THR A 32 4.975 -8.511 3.422 1.00 0.46 H new ATOM 0 HB THR A 32 2.886 -9.361 2.546 1.00 0.57 H new ATOM 0 HG1 THR A 32 4.426 -10.138 0.233 1.00 0.56 H new ATOM 0 HG21 THR A 32 2.551 -7.883 0.603 1.00 0.60 H new ATOM 0 HG22 THR A 32 3.477 -7.081 1.894 1.00 0.60 H new ATOM 0 HG23 THR A 32 4.314 -7.696 0.450 1.00 0.60 H new ATOM 528 N GLU A 33 5.716 -11.544 2.336 1.00 0.43 N ATOM 529 CA GLU A 33 5.962 -12.922 2.743 1.00 0.50 C ATOM 530 C GLU A 33 7.125 -12.987 3.728 1.00 0.45 C ATOM 531 O GLU A 33 7.173 -13.859 4.595 1.00 0.46 O ATOM 532 CB GLU A 33 6.259 -13.785 1.518 1.00 0.64 C ATOM 533 CG GLU A 33 5.171 -13.716 0.461 1.00 0.47 C ATOM 534 CD GLU A 33 5.569 -14.399 -0.834 1.00 1.01 C ATOM 535 OE1 GLU A 33 6.157 -13.724 -1.705 1.00 1.45 O ATOM 536 OE2 GLU A 33 5.291 -15.609 -0.977 1.00 1.10 O ATOM 0 H GLU A 33 5.958 -11.342 1.366 1.00 0.43 H new ATOM 0 HA GLU A 33 5.069 -13.305 3.237 1.00 0.50 H new ATOM 0 HB2 GLU A 33 7.205 -13.468 1.078 1.00 0.64 H new ATOM 0 HB3 GLU A 33 6.386 -14.821 1.833 1.00 0.64 H new ATOM 0 HG2 GLU A 33 4.264 -14.180 0.848 1.00 0.47 H new ATOM 0 HG3 GLU A 33 4.933 -12.672 0.258 1.00 0.47 H new ATOM 543 N GLU A 34 8.062 -12.057 3.577 1.00 0.45 N ATOM 544 CA GLU A 34 9.236 -11.991 4.441 1.00 0.52 C ATOM 545 C GLU A 34 8.841 -11.838 5.910 1.00 0.49 C ATOM 546 O GLU A 34 9.482 -12.407 6.795 1.00 0.55 O ATOM 547 CB GLU A 34 10.132 -10.825 4.019 1.00 0.61 C ATOM 548 CG GLU A 34 11.444 -10.755 4.784 1.00 0.73 C ATOM 549 CD GLU A 34 12.319 -11.971 4.554 1.00 1.37 C ATOM 550 OE1 GLU A 34 13.123 -11.952 3.600 1.00 1.28 O ATOM 551 OE2 GLU A 34 12.200 -12.943 5.330 1.00 2.24 O ATOM 0 H GLU A 34 8.031 -11.333 2.859 1.00 0.45 H new ATOM 0 HA GLU A 34 9.783 -12.928 4.335 1.00 0.52 H new ATOM 0 HB2 GLU A 34 10.347 -10.910 2.954 1.00 0.61 H new ATOM 0 HB3 GLU A 34 9.589 -9.891 4.161 1.00 0.61 H new ATOM 0 HG2 GLU A 34 11.988 -9.859 4.484 1.00 0.73 H new ATOM 0 HG3 GLU A 34 11.234 -10.659 5.849 1.00 0.73 H new ATOM 558 N LYS A 35 7.785 -11.068 6.165 1.00 0.47 N ATOM 559 CA LYS A 35 7.318 -10.841 7.532 1.00 0.53 C ATOM 560 C LYS A 35 6.269 -11.867 7.932 1.00 0.45 C ATOM 561 O LYS A 35 5.645 -11.742 8.986 1.00 0.55 O ATOM 562 CB LYS A 35 6.719 -9.440 7.673 1.00 0.74 C ATOM 563 CG LYS A 35 7.515 -8.372 6.957 1.00 0.97 C ATOM 564 CD LYS A 35 6.712 -7.759 5.822 1.00 1.26 C ATOM 565 CE LYS A 35 5.632 -6.824 6.341 1.00 2.35 C ATOM 566 NZ LYS A 35 4.771 -6.304 5.243 1.00 3.30 N ATOM 0 H LYS A 35 7.238 -10.593 5.447 1.00 0.47 H new ATOM 0 HA LYS A 35 8.182 -10.938 8.189 1.00 0.53 H new ATOM 0 HB2 LYS A 35 5.701 -9.447 7.283 1.00 0.74 H new ATOM 0 HB3 LYS A 35 6.653 -9.186 8.731 1.00 0.74 H new ATOM 0 HG2 LYS A 35 7.804 -7.594 7.664 1.00 0.97 H new ATOM 0 HG3 LYS A 35 8.436 -8.803 6.564 1.00 0.97 H new ATOM 0 HD2 LYS A 35 7.380 -7.211 5.158 1.00 1.26 H new ATOM 0 HD3 LYS A 35 6.254 -8.552 5.230 1.00 1.26 H new ATOM 0 HE2 LYS A 35 5.014 -7.351 7.068 1.00 2.35 H new ATOM 0 HE3 LYS A 35 6.097 -5.988 6.864 1.00 2.35 H new ATOM 0 HZ1 LYS A 35 4.125 -5.581 5.621 1.00 3.30 H new ATOM 0 HZ2 LYS A 35 5.368 -5.882 4.504 1.00 3.30 H new ATOM 0 HZ3 LYS A 35 4.217 -7.085 4.837 1.00 3.30 H new ATOM 580 N ALA A 36 6.073 -12.880 7.090 1.00 0.43 N ATOM 581 CA ALA A 36 5.066 -13.900 7.358 1.00 0.63 C ATOM 582 C ALA A 36 3.699 -13.237 7.453 1.00 0.78 C ATOM 583 O ALA A 36 2.741 -13.807 7.974 1.00 0.99 O ATOM 584 CB ALA A 36 5.393 -14.655 8.638 1.00 0.74 C ATOM 0 H ALA A 36 6.594 -13.014 6.224 1.00 0.43 H new ATOM 0 HA ALA A 36 5.058 -14.624 6.543 1.00 0.63 H new ATOM 0 HB1 ALA A 36 4.629 -15.411 8.820 1.00 0.74 H new ATOM 0 HB2 ALA A 36 6.365 -15.138 8.537 1.00 0.74 H new ATOM 0 HB3 ALA A 36 5.419 -13.958 9.475 1.00 0.74 H new ATOM 590 N MET A 37 3.636 -12.016 6.928 1.00 0.79 N ATOM 591 CA MET A 37 2.421 -11.214 6.930 1.00 1.04 C ATOM 592 C MET A 37 1.292 -11.923 6.191 1.00 1.22 C ATOM 593 O MET A 37 0.126 -11.541 6.302 1.00 1.43 O ATOM 594 CB MET A 37 2.711 -9.861 6.281 1.00 1.08 C ATOM 595 CG MET A 37 1.919 -8.708 6.872 1.00 1.38 C ATOM 596 SD MET A 37 0.374 -8.399 5.997 1.00 2.05 S ATOM 597 CE MET A 37 0.989 -7.857 4.404 1.00 1.97 C ATOM 0 H MET A 37 4.432 -11.555 6.487 1.00 0.79 H new ATOM 0 HA MET A 37 2.100 -11.066 7.961 1.00 1.04 H new ATOM 0 HB2 MET A 37 3.775 -9.644 6.378 1.00 1.08 H new ATOM 0 HB3 MET A 37 2.495 -9.928 5.215 1.00 1.08 H new ATOM 0 HG2 MET A 37 1.702 -8.921 7.919 1.00 1.38 H new ATOM 0 HG3 MET A 37 2.530 -7.805 6.851 1.00 1.38 H new ATOM 0 HE1 MET A 37 0.228 -7.257 3.905 1.00 1.97 H new ATOM 0 HE2 MET A 37 1.888 -7.258 4.546 1.00 1.97 H new ATOM 0 HE3 MET A 37 1.226 -8.726 3.790 1.00 1.97 H new ATOM 607 N GLY A 38 1.648 -12.957 5.437 1.00 1.22 N ATOM 608 CA GLY A 38 0.659 -13.707 4.687 1.00 1.49 C ATOM 609 C GLY A 38 1.088 -13.950 3.254 1.00 1.30 C ATOM 610 O GLY A 38 1.105 -13.027 2.440 1.00 1.95 O ATOM 0 H GLY A 38 2.607 -13.290 5.332 1.00 1.22 H new ATOM 0 HA2 GLY A 38 0.482 -14.664 5.178 1.00 1.49 H new ATOM 0 HA3 GLY A 38 -0.287 -13.165 4.694 1.00 1.49 H new ATOM 614 N MET A 39 1.434 -15.195 2.944 1.00 1.05 N ATOM 615 CA MET A 39 1.866 -15.553 1.598 1.00 0.97 C ATOM 616 C MET A 39 0.674 -15.619 0.646 1.00 0.81 C ATOM 617 O MET A 39 0.800 -16.075 -0.490 1.00 0.93 O ATOM 618 CB MET A 39 2.607 -16.893 1.607 1.00 1.47 C ATOM 619 CG MET A 39 1.719 -18.088 1.916 1.00 1.62 C ATOM 620 SD MET A 39 1.197 -18.151 3.642 1.00 2.14 S ATOM 621 CE MET A 39 2.776 -18.296 4.473 1.00 2.33 C ATOM 0 H MET A 39 1.424 -15.972 3.605 1.00 1.05 H new ATOM 0 HA MET A 39 2.548 -14.779 1.247 1.00 0.97 H new ATOM 0 HB2 MET A 39 3.076 -17.044 0.635 1.00 1.47 H new ATOM 0 HB3 MET A 39 3.409 -16.848 2.344 1.00 1.47 H new ATOM 0 HG2 MET A 39 0.837 -18.053 1.276 1.00 1.62 H new ATOM 0 HG3 MET A 39 2.255 -19.005 1.671 1.00 1.62 H new ATOM 0 HE1 MET A 39 2.635 -18.777 5.441 1.00 2.33 H new ATOM 0 HE2 MET A 39 3.453 -18.896 3.865 1.00 2.33 H new ATOM 0 HE3 MET A 39 3.203 -17.304 4.619 1.00 2.33 H new ATOM 631 N THR A 40 -0.483 -15.167 1.122 1.00 0.66 N ATOM 632 CA THR A 40 -1.696 -15.159 0.315 1.00 0.60 C ATOM 633 C THR A 40 -1.912 -13.772 -0.290 1.00 0.51 C ATOM 634 O THR A 40 -0.972 -12.983 -0.382 1.00 0.46 O ATOM 635 CB THR A 40 -2.927 -15.570 1.153 1.00 0.70 C ATOM 636 OG1 THR A 40 -4.067 -15.755 0.306 1.00 1.26 O ATOM 637 CG2 THR A 40 -3.240 -14.525 2.214 1.00 0.85 C ATOM 0 H THR A 40 -0.604 -14.801 2.066 1.00 0.66 H new ATOM 0 HA THR A 40 -1.575 -15.887 -0.487 1.00 0.60 H new ATOM 0 HB THR A 40 -2.693 -16.511 1.652 1.00 0.70 H new ATOM 0 HG1 THR A 40 -4.839 -16.017 0.850 1.00 1.26 H new ATOM 0 HG21 THR A 40 -4.111 -14.840 2.789 1.00 0.85 H new ATOM 0 HG22 THR A 40 -2.385 -14.416 2.881 1.00 0.85 H new ATOM 0 HG23 THR A 40 -3.449 -13.569 1.733 1.00 0.85 H new ATOM 645 N ASN A 41 -3.147 -13.447 -0.657 1.00 0.52 N ATOM 646 CA ASN A 41 -3.429 -12.150 -1.257 1.00 0.46 C ATOM 647 C ASN A 41 -3.825 -11.153 -0.183 1.00 0.49 C ATOM 648 O ASN A 41 -4.674 -11.429 0.664 1.00 0.58 O ATOM 649 CB ASN A 41 -4.554 -12.273 -2.284 1.00 0.49 C ATOM 650 CG ASN A 41 -4.516 -11.171 -3.319 1.00 1.34 C ATOM 651 OD1 ASN A 41 -3.515 -10.471 -3.465 1.00 2.35 O ATOM 652 ND2 ASN A 41 -5.608 -11.022 -4.058 1.00 1.61 N ATOM 0 H ASN A 41 -3.959 -14.056 -0.551 1.00 0.52 H new ATOM 0 HA ASN A 41 -2.528 -11.798 -1.759 1.00 0.46 H new ATOM 0 HB2 ASN A 41 -4.481 -13.239 -2.784 1.00 0.49 H new ATOM 0 HB3 ASN A 41 -5.515 -12.251 -1.770 1.00 0.49 H new ATOM 0 HD21 ASN A 41 -5.640 -10.304 -4.782 1.00 1.61 H new ATOM 0 HD22 ASN A 41 -6.415 -11.625 -3.902 1.00 1.61 H new ATOM 659 N LEU A 42 -3.198 -9.989 -0.233 1.00 0.44 N ATOM 660 CA LEU A 42 -3.449 -8.934 0.734 1.00 0.52 C ATOM 661 C LEU A 42 -3.767 -7.608 0.041 1.00 0.49 C ATOM 662 O LEU A 42 -4.753 -6.954 0.380 1.00 0.60 O ATOM 663 CB LEU A 42 -2.238 -8.776 1.640 1.00 0.57 C ATOM 664 CG LEU A 42 -1.646 -10.076 2.134 1.00 1.60 C ATOM 665 CD1 LEU A 42 -0.254 -10.174 1.588 1.00 2.08 C ATOM 666 CD2 LEU A 42 -1.649 -10.137 3.653 1.00 2.15 C ATOM 0 H LEU A 42 -2.504 -9.750 -0.941 1.00 0.44 H new ATOM 0 HA LEU A 42 -4.318 -9.213 1.330 1.00 0.52 H new ATOM 0 HB2 LEU A 42 -1.468 -8.223 1.102 1.00 0.57 H new ATOM 0 HB3 LEU A 42 -2.522 -8.171 2.501 1.00 0.57 H new ATOM 0 HG LEU A 42 -2.244 -10.920 1.790 1.00 1.60 H new ATOM 0 HD11 LEU A 42 0.205 -11.103 1.926 1.00 2.08 H new ATOM 0 HD12 LEU A 42 -0.289 -10.161 0.499 1.00 2.08 H new ATOM 0 HD13 LEU A 42 0.336 -9.329 1.942 1.00 2.08 H new ATOM 0 HD21 LEU A 42 -1.218 -11.083 3.980 1.00 2.15 H new ATOM 0 HD22 LEU A 42 -1.059 -9.312 4.051 1.00 2.15 H new ATOM 0 HD23 LEU A 42 -2.673 -10.060 4.018 1.00 2.15 H new ATOM 678 N PRO A 43 -2.938 -7.184 -0.943 1.00 0.38 N ATOM 679 CA PRO A 43 -3.157 -5.942 -1.665 1.00 0.40 C ATOM 680 C PRO A 43 -4.062 -6.149 -2.879 1.00 0.37 C ATOM 681 O PRO A 43 -3.701 -5.807 -4.004 1.00 0.35 O ATOM 682 CB PRO A 43 -1.744 -5.539 -2.101 1.00 0.40 C ATOM 683 CG PRO A 43 -0.906 -6.777 -2.039 1.00 0.32 C ATOM 684 CD PRO A 43 -1.740 -7.877 -1.449 1.00 0.34 C ATOM 0 HA PRO A 43 -3.657 -5.186 -1.060 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -1.753 -5.128 -3.110 1.00 0.40 H new ATOM 0 HB3 PRO A 43 -1.342 -4.766 -1.446 1.00 0.40 H new ATOM 0 HG2 PRO A 43 -0.562 -7.053 -3.035 1.00 0.32 H new ATOM 0 HG3 PRO A 43 -0.018 -6.605 -1.431 1.00 0.32 H new ATOM 0 HD2 PRO A 43 -1.999 -8.627 -2.197 1.00 0.34 H new ATOM 0 HD3 PRO A 43 -1.210 -8.394 -0.649 1.00 0.34 H new ATOM 692 N ALA A 44 -5.251 -6.689 -2.632 1.00 0.42 N ATOM 693 CA ALA A 44 -6.212 -6.967 -3.696 1.00 0.42 C ATOM 694 C ALA A 44 -7.384 -5.989 -3.645 1.00 0.47 C ATOM 695 O ALA A 44 -7.728 -5.483 -2.579 1.00 0.59 O ATOM 696 CB ALA A 44 -6.727 -8.383 -3.555 1.00 0.52 C ATOM 0 H ALA A 44 -5.574 -6.944 -1.699 1.00 0.42 H new ATOM 0 HA ALA A 44 -5.708 -6.849 -4.655 1.00 0.42 H new ATOM 0 HB1 ALA A 44 -7.444 -8.590 -4.349 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -5.894 -9.082 -3.627 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -7.214 -8.498 -2.587 1.00 0.52 H new ATOM 702 N VAL A 45 -8.002 -5.734 -4.794 1.00 0.42 N ATOM 703 CA VAL A 45 -9.135 -4.816 -4.862 1.00 0.47 C ATOM 704 C VAL A 45 -10.395 -5.529 -5.342 1.00 0.53 C ATOM 705 O VAL A 45 -10.316 -6.551 -6.024 1.00 0.55 O ATOM 706 CB VAL A 45 -8.843 -3.597 -5.767 1.00 0.41 C ATOM 707 CG1 VAL A 45 -7.441 -3.073 -5.506 1.00 0.45 C ATOM 708 CG2 VAL A 45 -9.028 -3.932 -7.239 1.00 0.34 C ATOM 0 H VAL A 45 -7.739 -6.148 -5.688 1.00 0.42 H new ATOM 0 HA VAL A 45 -9.300 -4.450 -3.848 1.00 0.47 H new ATOM 0 HB VAL A 45 -9.563 -2.817 -5.519 1.00 0.41 H new ATOM 0 HG11 VAL A 45 -7.248 -2.215 -6.149 1.00 0.45 H new ATOM 0 HG12 VAL A 45 -7.354 -2.771 -4.462 1.00 0.45 H new ATOM 0 HG13 VAL A 45 -6.714 -3.857 -5.719 1.00 0.45 H new ATOM 0 HG21 VAL A 45 -8.814 -3.050 -7.843 1.00 0.34 H new ATOM 0 HG22 VAL A 45 -8.347 -4.736 -7.517 1.00 0.34 H new ATOM 0 HG23 VAL A 45 -10.056 -4.250 -7.413 1.00 0.34 H new ATOM 718 N GLY A 46 -11.550 -4.990 -4.951 1.00 0.64 N ATOM 719 CA GLY A 46 -12.838 -5.560 -5.323 1.00 0.75 C ATOM 720 C GLY A 46 -12.845 -6.261 -6.668 1.00 0.74 C ATOM 721 O GLY A 46 -13.458 -7.318 -6.815 1.00 0.92 O ATOM 0 H GLY A 46 -11.616 -4.153 -4.372 1.00 0.64 H new ATOM 0 HA2 GLY A 46 -13.143 -6.270 -4.555 1.00 0.75 H new ATOM 0 HA3 GLY A 46 -13.584 -4.765 -5.337 1.00 0.75 H new ATOM 725 N ARG A 47 -12.166 -5.682 -7.653 1.00 0.63 N ATOM 726 CA ARG A 47 -12.128 -6.268 -8.987 1.00 0.64 C ATOM 727 C ARG A 47 -10.743 -6.820 -9.326 1.00 0.67 C ATOM 728 O ARG A 47 -10.438 -7.974 -9.026 1.00 1.20 O ATOM 729 CB ARG A 47 -12.557 -5.226 -10.019 1.00 0.63 C ATOM 730 CG ARG A 47 -13.223 -5.826 -11.241 1.00 0.39 C ATOM 731 CD ARG A 47 -12.203 -6.288 -12.269 1.00 1.19 C ATOM 732 NE ARG A 47 -12.836 -6.985 -13.385 1.00 1.66 N ATOM 733 CZ ARG A 47 -12.649 -6.662 -14.660 1.00 2.40 C ATOM 734 NH1 ARG A 47 -11.853 -5.651 -14.984 1.00 3.06 N ATOM 735 NH2 ARG A 47 -13.260 -7.349 -15.615 1.00 2.81 N ATOM 0 H ARG A 47 -11.639 -4.815 -7.554 1.00 0.63 H new ATOM 0 HA ARG A 47 -12.823 -7.107 -9.008 1.00 0.64 H new ATOM 0 HB2 ARG A 47 -13.244 -4.522 -9.549 1.00 0.63 H new ATOM 0 HB3 ARG A 47 -11.683 -4.656 -10.334 1.00 0.63 H new ATOM 0 HG2 ARG A 47 -13.843 -6.670 -10.939 1.00 0.39 H new ATOM 0 HG3 ARG A 47 -13.886 -5.088 -11.693 1.00 0.39 H new ATOM 0 HD2 ARG A 47 -11.650 -5.427 -12.645 1.00 1.19 H new ATOM 0 HD3 ARG A 47 -11.479 -6.948 -11.792 1.00 1.19 H new ATOM 0 HE ARG A 47 -13.458 -7.765 -13.173 1.00 1.66 H new ATOM 0 HH11 ARG A 47 -11.382 -5.118 -14.253 1.00 3.06 H new ATOM 0 HH12 ARG A 47 -11.712 -5.407 -15.964 1.00 3.06 H new ATOM 0 HH21 ARG A 47 -13.874 -8.126 -15.371 1.00 2.81 H new ATOM 0 HH22 ARG A 47 -13.116 -7.101 -16.594 1.00 2.81 H new ATOM 749 N LYS A 48 -9.911 -5.992 -9.951 1.00 0.69 N ATOM 750 CA LYS A 48 -8.564 -6.401 -10.336 1.00 0.62 C ATOM 751 C LYS A 48 -7.752 -6.828 -9.114 1.00 0.51 C ATOM 752 O LYS A 48 -8.068 -6.448 -7.991 1.00 0.48 O ATOM 753 CB LYS A 48 -7.851 -5.250 -11.050 1.00 0.67 C ATOM 754 CG LYS A 48 -8.493 -4.850 -12.368 1.00 0.84 C ATOM 755 CD LYS A 48 -8.161 -5.841 -13.471 1.00 1.04 C ATOM 756 CE LYS A 48 -8.608 -5.327 -14.830 1.00 1.00 C ATOM 757 NZ LYS A 48 -8.242 -6.265 -15.926 1.00 1.56 N ATOM 0 H LYS A 48 -10.147 -5.032 -10.202 1.00 0.69 H new ATOM 0 HA LYS A 48 -8.648 -7.252 -11.011 1.00 0.62 H new ATOM 0 HB2 LYS A 48 -7.830 -4.383 -10.390 1.00 0.67 H new ATOM 0 HB3 LYS A 48 -6.815 -5.536 -11.234 1.00 0.67 H new ATOM 0 HG2 LYS A 48 -9.574 -4.790 -12.244 1.00 0.84 H new ATOM 0 HG3 LYS A 48 -8.150 -3.856 -12.655 1.00 0.84 H new ATOM 0 HD2 LYS A 48 -7.087 -6.026 -13.485 1.00 1.04 H new ATOM 0 HD3 LYS A 48 -8.646 -6.795 -13.263 1.00 1.04 H new ATOM 0 HE2 LYS A 48 -9.688 -5.179 -14.825 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -8.153 -4.354 -15.018 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -8.564 -5.878 -16.836 1.00 1.56 H new ATOM 0 HZ2 LYS A 48 -7.209 -6.387 -15.948 1.00 1.56 H new ATOM 0 HZ3 LYS A 48 -8.696 -7.186 -15.761 1.00 1.56 H new ATOM 771 N PRO A 49 -6.707 -7.650 -9.312 1.00 0.49 N ATOM 772 CA PRO A 49 -5.846 -8.102 -8.214 1.00 0.44 C ATOM 773 C PRO A 49 -5.220 -6.935 -7.451 1.00 0.43 C ATOM 774 O PRO A 49 -5.884 -6.292 -6.641 1.00 0.63 O ATOM 775 CB PRO A 49 -4.777 -8.937 -8.925 1.00 0.52 C ATOM 776 CG PRO A 49 -5.440 -9.390 -10.173 1.00 0.59 C ATOM 777 CD PRO A 49 -6.300 -8.238 -10.601 1.00 0.58 C ATOM 0 HA PRO A 49 -6.398 -8.660 -7.458 1.00 0.44 H new ATOM 0 HB2 PRO A 49 -3.887 -8.346 -9.139 1.00 0.52 H new ATOM 0 HB3 PRO A 49 -4.459 -9.782 -8.314 1.00 0.52 H new ATOM 0 HG2 PRO A 49 -4.707 -9.641 -10.940 1.00 0.59 H new ATOM 0 HG3 PRO A 49 -6.038 -10.285 -9.999 1.00 0.59 H new ATOM 0 HD2 PRO A 49 -5.749 -7.526 -11.216 1.00 0.58 H new ATOM 0 HD3 PRO A 49 -7.159 -8.568 -11.186 1.00 0.58 H new ATOM 785 N LEU A 50 -3.949 -6.654 -7.720 1.00 0.51 N ATOM 786 CA LEU A 50 -3.253 -5.569 -7.046 1.00 0.55 C ATOM 787 C LEU A 50 -3.048 -4.404 -8.007 1.00 0.67 C ATOM 788 O LEU A 50 -3.438 -3.272 -7.721 1.00 1.57 O ATOM 789 CB LEU A 50 -1.885 -6.028 -6.509 1.00 0.64 C ATOM 790 CG LEU A 50 -1.838 -7.360 -5.739 1.00 0.45 C ATOM 791 CD1 LEU A 50 -2.351 -8.523 -6.575 1.00 0.69 C ATOM 792 CD2 LEU A 50 -0.414 -7.639 -5.295 1.00 0.81 C ATOM 0 H LEU A 50 -3.383 -7.163 -8.399 1.00 0.51 H new ATOM 0 HA LEU A 50 -3.869 -5.253 -6.204 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -1.199 -6.102 -7.353 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -1.501 -5.246 -5.854 1.00 0.64 H new ATOM 0 HG LEU A 50 -2.492 -7.265 -4.872 1.00 0.45 H new ATOM 0 HD11 LEU A 50 -2.299 -9.442 -5.991 1.00 0.69 H new ATOM 0 HD12 LEU A 50 -3.385 -8.335 -6.864 1.00 0.69 H new ATOM 0 HD13 LEU A 50 -1.737 -8.627 -7.470 1.00 0.69 H new ATOM 0 HD21 LEU A 50 -0.381 -8.582 -4.750 1.00 0.81 H new ATOM 0 HD22 LEU A 50 0.234 -7.702 -6.169 1.00 0.81 H new ATOM 0 HD23 LEU A 50 -0.071 -6.833 -4.647 1.00 0.81 H new ATOM 804 N ASP A 51 -2.429 -4.698 -9.149 1.00 0.50 N ATOM 805 CA ASP A 51 -2.166 -3.689 -10.168 1.00 0.46 C ATOM 806 C ASP A 51 -1.352 -2.534 -9.596 1.00 0.42 C ATOM 807 O ASP A 51 -1.662 -1.371 -9.839 1.00 0.41 O ATOM 808 CB ASP A 51 -3.483 -3.165 -10.746 1.00 0.45 C ATOM 809 CG ASP A 51 -4.373 -4.282 -11.252 1.00 0.49 C ATOM 810 OD1 ASP A 51 -4.881 -5.059 -10.416 1.00 0.63 O ATOM 811 OD2 ASP A 51 -4.559 -4.382 -12.482 1.00 0.53 O ATOM 0 H ASP A 51 -2.100 -5.633 -9.391 1.00 0.50 H new ATOM 0 HA ASP A 51 -1.586 -4.156 -10.965 1.00 0.46 H new ATOM 0 HB2 ASP A 51 -4.014 -2.599 -9.980 1.00 0.45 H new ATOM 0 HB3 ASP A 51 -3.270 -2.475 -11.562 1.00 0.45 H new ATOM 816 N LEU A 52 -0.307 -2.863 -8.842 1.00 0.40 N ATOM 817 CA LEU A 52 0.549 -1.850 -8.233 1.00 0.37 C ATOM 818 C LEU A 52 1.274 -1.025 -9.295 1.00 0.36 C ATOM 819 O LEU A 52 1.611 0.133 -9.059 1.00 0.43 O ATOM 820 CB LEU A 52 1.566 -2.508 -7.297 1.00 0.39 C ATOM 821 CG LEU A 52 2.468 -1.538 -6.533 1.00 0.45 C ATOM 822 CD1 LEU A 52 1.660 -0.721 -5.539 1.00 1.06 C ATOM 823 CD2 LEU A 52 3.578 -2.298 -5.825 1.00 1.29 C ATOM 0 H LEU A 52 -0.033 -3.824 -8.638 1.00 0.40 H new ATOM 0 HA LEU A 52 -0.087 -1.178 -7.656 1.00 0.37 H new ATOM 0 HB2 LEU A 52 1.028 -3.123 -6.576 1.00 0.39 H new ATOM 0 HB3 LEU A 52 2.194 -3.179 -7.883 1.00 0.39 H new ATOM 0 HG LEU A 52 2.919 -0.850 -7.248 1.00 0.45 H new ATOM 0 HD11 LEU A 52 2.322 -0.038 -5.007 1.00 1.06 H new ATOM 0 HD12 LEU A 52 0.900 -0.149 -6.071 1.00 1.06 H new ATOM 0 HD13 LEU A 52 1.178 -1.389 -4.825 1.00 1.06 H new ATOM 0 HD21 LEU A 52 4.213 -1.596 -5.285 1.00 1.29 H new ATOM 0 HD22 LEU A 52 3.142 -3.008 -5.122 1.00 1.29 H new ATOM 0 HD23 LEU A 52 4.176 -2.837 -6.560 1.00 1.29 H new ATOM 835 N TYR A 53 1.516 -1.623 -10.460 1.00 0.32 N ATOM 836 CA TYR A 53 2.198 -0.920 -11.545 1.00 0.33 C ATOM 837 C TYR A 53 1.275 0.117 -12.178 1.00 0.32 C ATOM 838 O TYR A 53 1.665 1.268 -12.394 1.00 0.32 O ATOM 839 CB TYR A 53 2.675 -1.917 -12.607 1.00 0.38 C ATOM 840 CG TYR A 53 3.053 -1.274 -13.923 1.00 0.32 C ATOM 841 CD1 TYR A 53 4.174 -0.460 -14.022 1.00 0.45 C ATOM 842 CD2 TYR A 53 2.292 -1.482 -15.066 1.00 0.32 C ATOM 843 CE1 TYR A 53 4.525 0.131 -15.221 1.00 0.51 C ATOM 844 CE2 TYR A 53 2.636 -0.897 -16.270 1.00 0.36 C ATOM 845 CZ TYR A 53 3.743 -0.093 -16.346 1.00 0.43 C ATOM 846 OH TYR A 53 4.100 0.494 -17.539 1.00 0.54 O ATOM 0 H TYR A 53 1.253 -2.584 -10.676 1.00 0.32 H new ATOM 0 HA TYR A 53 3.064 -0.405 -11.129 1.00 0.33 H new ATOM 0 HB2 TYR A 53 3.536 -2.462 -12.219 1.00 0.38 H new ATOM 0 HB3 TYR A 53 1.887 -2.649 -12.784 1.00 0.38 H new ATOM 0 HD1 TYR A 53 4.782 -0.286 -13.147 1.00 0.45 H new ATOM 0 HD2 TYR A 53 1.416 -2.112 -15.013 1.00 0.32 H new ATOM 0 HE1 TYR A 53 5.400 0.761 -15.282 1.00 0.51 H new ATOM 0 HE2 TYR A 53 2.034 -1.073 -17.149 1.00 0.36 H new ATOM 0 HH TYR A 53 3.456 0.242 -18.233 1.00 0.54 H new ATOM 856 N ARG A 54 0.040 -0.292 -12.452 1.00 0.33 N ATOM 857 CA ARG A 54 -0.942 0.611 -13.037 1.00 0.34 C ATOM 858 C ARG A 54 -1.351 1.620 -11.986 1.00 0.32 C ATOM 859 O ARG A 54 -1.667 2.768 -12.287 1.00 0.32 O ATOM 860 CB ARG A 54 -2.170 -0.157 -13.530 1.00 0.38 C ATOM 861 CG ARG A 54 -1.901 -1.625 -13.806 1.00 0.40 C ATOM 862 CD ARG A 54 -3.067 -2.280 -14.529 1.00 0.45 C ATOM 863 NE ARG A 54 -3.385 -1.599 -15.781 1.00 0.98 N ATOM 864 CZ ARG A 54 -3.969 -2.192 -16.818 1.00 1.19 C ATOM 865 NH1 ARG A 54 -4.290 -3.479 -16.758 1.00 1.28 N ATOM 866 NH2 ARG A 54 -4.231 -1.500 -17.917 1.00 1.85 N ATOM 0 H ARG A 54 -0.302 -1.237 -12.279 1.00 0.33 H new ATOM 0 HA ARG A 54 -0.500 1.116 -13.896 1.00 0.34 H new ATOM 0 HB2 ARG A 54 -2.962 -0.076 -12.785 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -2.540 0.313 -14.441 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -0.997 -1.723 -14.408 1.00 0.40 H new ATOM 0 HG3 ARG A 54 -1.716 -2.145 -12.866 1.00 0.40 H new ATOM 0 HD2 ARG A 54 -2.827 -3.323 -14.734 1.00 0.45 H new ATOM 0 HD3 ARG A 54 -3.944 -2.276 -13.881 1.00 0.45 H new ATOM 0 HE ARG A 54 -3.145 -0.611 -15.865 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -4.089 -4.016 -15.915 1.00 1.28 H new ATOM 0 HH12 ARG A 54 -4.738 -3.931 -17.555 1.00 1.28 H new ATOM 0 HH21 ARG A 54 -3.985 -0.512 -17.968 1.00 1.85 H new ATOM 0 HH22 ARG A 54 -4.679 -1.956 -18.712 1.00 1.85 H new ATOM 880 N LEU A 55 -1.339 1.160 -10.744 1.00 0.30 N ATOM 881 CA LEU A 55 -1.681 1.991 -9.608 1.00 0.28 C ATOM 882 C LEU A 55 -0.574 3.014 -9.369 1.00 0.26 C ATOM 883 O LEU A 55 -0.830 4.132 -8.926 1.00 0.25 O ATOM 884 CB LEU A 55 -1.903 1.118 -8.368 1.00 0.32 C ATOM 885 CG LEU A 55 -2.326 1.852 -7.091 1.00 0.31 C ATOM 886 CD1 LEU A 55 -3.313 2.972 -7.398 1.00 0.88 C ATOM 887 CD2 LEU A 55 -2.940 0.872 -6.103 1.00 0.79 C ATOM 0 H LEU A 55 -1.092 0.201 -10.499 1.00 0.30 H new ATOM 0 HA LEU A 55 -2.607 2.527 -9.814 1.00 0.28 H new ATOM 0 HB2 LEU A 55 -2.664 0.375 -8.604 1.00 0.32 H new ATOM 0 HB3 LEU A 55 -0.981 0.575 -8.162 1.00 0.32 H new ATOM 0 HG LEU A 55 -1.435 2.298 -6.649 1.00 0.31 H new ATOM 0 HD11 LEU A 55 -3.594 3.473 -6.472 1.00 0.88 H new ATOM 0 HD12 LEU A 55 -2.849 3.691 -8.074 1.00 0.88 H new ATOM 0 HD13 LEU A 55 -4.203 2.554 -7.869 1.00 0.88 H new ATOM 0 HD21 LEU A 55 -3.237 1.404 -5.199 1.00 0.79 H new ATOM 0 HD22 LEU A 55 -3.815 0.403 -6.552 1.00 0.79 H new ATOM 0 HD23 LEU A 55 -2.208 0.105 -5.849 1.00 0.79 H new ATOM 899 N TYR A 56 0.661 2.607 -9.658 1.00 0.30 N ATOM 900 CA TYR A 56 1.826 3.475 -9.501 1.00 0.30 C ATOM 901 C TYR A 56 1.780 4.598 -10.533 1.00 0.30 C ATOM 902 O TYR A 56 1.928 5.774 -10.196 1.00 0.29 O ATOM 903 CB TYR A 56 3.112 2.644 -9.650 1.00 0.35 C ATOM 904 CG TYR A 56 4.418 3.387 -9.398 1.00 0.36 C ATOM 905 CD1 TYR A 56 4.394 4.676 -8.879 1.00 0.95 C ATOM 906 CD2 TYR A 56 5.658 2.816 -9.674 1.00 0.68 C ATOM 907 CE1 TYR A 56 5.561 5.375 -8.641 1.00 1.03 C ATOM 908 CE2 TYR A 56 6.829 3.511 -9.438 1.00 0.85 C ATOM 909 CZ TYR A 56 6.835 4.696 -8.958 1.00 0.74 C ATOM 910 OH TYR A 56 7.939 5.483 -8.686 1.00 0.97 O ATOM 0 H TYR A 56 0.881 1.673 -10.005 1.00 0.30 H new ATOM 0 HA TYR A 56 1.816 3.924 -8.508 1.00 0.30 H new ATOM 0 HB2 TYR A 56 3.058 1.800 -8.962 1.00 0.35 H new ATOM 0 HB3 TYR A 56 3.140 2.231 -10.659 1.00 0.35 H new ATOM 0 HD1 TYR A 56 3.444 5.140 -8.658 1.00 0.95 H new ATOM 0 HD2 TYR A 56 5.705 1.816 -10.078 1.00 0.68 H new ATOM 0 HE1 TYR A 56 5.543 6.377 -8.239 1.00 1.03 H new ATOM 0 HE2 TYR A 56 7.772 3.037 -9.667 1.00 0.85 H new ATOM 0 HH TYR A 56 8.756 4.990 -8.911 1.00 0.97 H new ATOM 920 N VAL A 57 1.573 4.236 -11.795 1.00 0.33 N ATOM 921 CA VAL A 57 1.488 5.236 -12.853 1.00 0.35 C ATOM 922 C VAL A 57 0.245 6.092 -12.668 1.00 0.31 C ATOM 923 O VAL A 57 0.253 7.292 -12.948 1.00 0.32 O ATOM 924 CB VAL A 57 1.454 4.594 -14.252 1.00 0.40 C ATOM 925 CG1 VAL A 57 2.728 3.816 -14.509 1.00 0.44 C ATOM 926 CG2 VAL A 57 0.236 3.696 -14.406 1.00 0.38 C ATOM 0 H VAL A 57 1.462 3.271 -12.107 1.00 0.33 H new ATOM 0 HA VAL A 57 2.383 5.854 -12.783 1.00 0.35 H new ATOM 0 HB VAL A 57 1.382 5.391 -14.992 1.00 0.40 H new ATOM 0 HG11 VAL A 57 2.687 3.369 -15.502 1.00 0.44 H new ATOM 0 HG12 VAL A 57 3.584 4.489 -14.449 1.00 0.44 H new ATOM 0 HG13 VAL A 57 2.831 3.030 -13.761 1.00 0.44 H new ATOM 0 HG21 VAL A 57 0.234 3.254 -15.402 1.00 0.38 H new ATOM 0 HG22 VAL A 57 0.271 2.904 -13.658 1.00 0.38 H new ATOM 0 HG23 VAL A 57 -0.670 4.286 -14.269 1.00 0.38 H new ATOM 936 N SER A 58 -0.823 5.466 -12.183 1.00 0.29 N ATOM 937 CA SER A 58 -2.073 6.173 -11.959 1.00 0.27 C ATOM 938 C SER A 58 -1.939 7.153 -10.806 1.00 0.24 C ATOM 939 O SER A 58 -2.418 8.281 -10.892 1.00 0.25 O ATOM 940 CB SER A 58 -3.220 5.201 -11.682 1.00 0.27 C ATOM 941 OG SER A 58 -3.566 4.469 -12.844 1.00 1.13 O ATOM 0 H SER A 58 -0.845 4.476 -11.940 1.00 0.29 H new ATOM 0 HA SER A 58 -2.302 6.726 -12.870 1.00 0.27 H new ATOM 0 HB2 SER A 58 -2.932 4.512 -10.888 1.00 0.27 H new ATOM 0 HB3 SER A 58 -4.089 5.753 -11.325 1.00 0.27 H new ATOM 0 HG SER A 58 -3.114 3.599 -12.829 1.00 1.13 H new ATOM 947 N VAL A 59 -1.293 6.722 -9.722 1.00 0.24 N ATOM 948 CA VAL A 59 -1.108 7.594 -8.571 1.00 0.23 C ATOM 949 C VAL A 59 -0.158 8.725 -8.934 1.00 0.23 C ATOM 950 O VAL A 59 -0.287 9.843 -8.439 1.00 0.22 O ATOM 951 CB VAL A 59 -0.575 6.837 -7.335 1.00 0.25 C ATOM 952 CG1 VAL A 59 0.841 6.337 -7.561 1.00 0.27 C ATOM 953 CG2 VAL A 59 -0.641 7.726 -6.102 1.00 0.26 C ATOM 0 H VAL A 59 -0.896 5.788 -9.621 1.00 0.24 H new ATOM 0 HA VAL A 59 -2.086 7.995 -8.305 1.00 0.23 H new ATOM 0 HB VAL A 59 -1.210 5.966 -7.173 1.00 0.25 H new ATOM 0 HG11 VAL A 59 1.186 5.809 -6.672 1.00 0.27 H new ATOM 0 HG12 VAL A 59 0.856 5.659 -8.415 1.00 0.27 H new ATOM 0 HG13 VAL A 59 1.499 7.184 -7.758 1.00 0.27 H new ATOM 0 HG21 VAL A 59 -0.262 7.179 -5.239 1.00 0.26 H new ATOM 0 HG22 VAL A 59 -0.033 8.617 -6.263 1.00 0.26 H new ATOM 0 HG23 VAL A 59 -1.675 8.020 -5.920 1.00 0.26 H new ATOM 963 N LYS A 60 0.798 8.421 -9.810 1.00 0.26 N ATOM 964 CA LYS A 60 1.749 9.420 -10.271 1.00 0.27 C ATOM 965 C LYS A 60 1.003 10.528 -11.003 1.00 0.26 C ATOM 966 O LYS A 60 1.156 11.709 -10.690 1.00 0.26 O ATOM 967 CB LYS A 60 2.793 8.783 -11.194 1.00 0.31 C ATOM 968 CG LYS A 60 3.976 8.179 -10.454 1.00 0.99 C ATOM 969 CD LYS A 60 5.130 7.866 -11.397 1.00 0.98 C ATOM 970 CE LYS A 60 4.750 6.813 -12.427 1.00 1.26 C ATOM 971 NZ LYS A 60 5.874 6.517 -13.359 1.00 1.78 N ATOM 0 H LYS A 60 0.931 7.493 -10.211 1.00 0.26 H new ATOM 0 HA LYS A 60 2.268 9.842 -9.410 1.00 0.27 H new ATOM 0 HB2 LYS A 60 2.313 8.006 -11.789 1.00 0.31 H new ATOM 0 HB3 LYS A 60 3.158 9.538 -11.890 1.00 0.31 H new ATOM 0 HG2 LYS A 60 4.314 8.871 -9.682 1.00 0.99 H new ATOM 0 HG3 LYS A 60 3.661 7.266 -9.948 1.00 0.99 H new ATOM 0 HD2 LYS A 60 5.440 8.778 -11.907 1.00 0.98 H new ATOM 0 HD3 LYS A 60 5.986 7.517 -10.820 1.00 0.98 H new ATOM 0 HE2 LYS A 60 4.451 5.897 -11.917 1.00 1.26 H new ATOM 0 HE3 LYS A 60 3.887 7.157 -12.997 1.00 1.26 H new ATOM 0 HZ1 LYS A 60 5.575 5.795 -14.045 1.00 1.78 H new ATOM 0 HZ2 LYS A 60 6.143 7.385 -13.865 1.00 1.78 H new ATOM 0 HZ3 LYS A 60 6.689 6.164 -12.818 1.00 1.78 H new ATOM 985 N GLU A 61 0.191 10.133 -11.982 1.00 0.26 N ATOM 986 CA GLU A 61 -0.605 11.084 -12.749 1.00 0.26 C ATOM 987 C GLU A 61 -1.669 11.719 -11.857 1.00 0.24 C ATOM 988 O GLU A 61 -2.052 12.873 -12.050 1.00 0.24 O ATOM 989 CB GLU A 61 -1.265 10.389 -13.940 1.00 0.27 C ATOM 990 CG GLU A 61 -0.271 9.805 -14.933 1.00 1.22 C ATOM 991 CD GLU A 61 -0.948 9.037 -16.052 1.00 1.54 C ATOM 992 OE1 GLU A 61 -1.282 9.661 -17.081 1.00 1.78 O ATOM 993 OE2 GLU A 61 -1.146 7.814 -15.897 1.00 1.88 O ATOM 0 H GLU A 61 0.068 9.160 -12.261 1.00 0.26 H new ATOM 0 HA GLU A 61 0.055 11.866 -13.124 1.00 0.26 H new ATOM 0 HB2 GLU A 61 -1.910 9.591 -13.572 1.00 0.27 H new ATOM 0 HB3 GLU A 61 -1.905 11.103 -14.457 1.00 0.27 H new ATOM 0 HG2 GLU A 61 0.327 10.611 -15.360 1.00 1.22 H new ATOM 0 HG3 GLU A 61 0.416 9.143 -14.407 1.00 1.22 H new ATOM 1000 N ILE A 62 -2.142 10.946 -10.882 1.00 0.24 N ATOM 1001 CA ILE A 62 -3.159 11.412 -9.945 1.00 0.23 C ATOM 1002 C ILE A 62 -2.688 12.667 -9.219 1.00 0.25 C ATOM 1003 O ILE A 62 -3.465 13.594 -8.989 1.00 0.27 O ATOM 1004 CB ILE A 62 -3.514 10.308 -8.918 1.00 0.26 C ATOM 1005 CG1 ILE A 62 -4.741 9.520 -9.402 1.00 0.29 C ATOM 1006 CG2 ILE A 62 -3.746 10.897 -7.524 1.00 0.25 C ATOM 1007 CD1 ILE A 62 -5.238 8.484 -8.417 1.00 0.33 C ATOM 0 H ILE A 62 -1.834 9.987 -10.721 1.00 0.24 H new ATOM 0 HA ILE A 62 -4.054 11.653 -10.518 1.00 0.23 H new ATOM 0 HB ILE A 62 -2.670 9.623 -8.839 1.00 0.26 H new ATOM 0 HG12 ILE A 62 -5.549 10.221 -9.615 1.00 0.29 H new ATOM 0 HG13 ILE A 62 -4.494 9.024 -10.341 1.00 0.29 H new ATOM 0 HG21 ILE A 62 -3.993 10.096 -6.827 1.00 0.25 H new ATOM 0 HG22 ILE A 62 -2.841 11.404 -7.188 1.00 0.25 H new ATOM 0 HG23 ILE A 62 -4.569 11.611 -7.563 1.00 0.25 H new ATOM 0 HD11 ILE A 62 -6.105 7.972 -8.834 1.00 0.33 H new ATOM 0 HD12 ILE A 62 -4.448 7.759 -8.222 1.00 0.33 H new ATOM 0 HD13 ILE A 62 -5.519 8.974 -7.485 1.00 0.33 H new ATOM 1019 N GLY A 63 -1.409 12.687 -8.863 1.00 0.30 N ATOM 1020 CA GLY A 63 -0.854 13.826 -8.163 1.00 0.37 C ATOM 1021 C GLY A 63 0.172 13.422 -7.126 1.00 0.46 C ATOM 1022 O GLY A 63 1.191 14.090 -6.953 1.00 0.74 O ATOM 0 H GLY A 63 -0.747 11.933 -9.048 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -0.392 14.502 -8.883 1.00 0.37 H new ATOM 0 HA3 GLY A 63 -1.659 14.378 -7.678 1.00 0.37 H new ATOM 1026 N GLY A 64 -0.101 12.320 -6.438 1.00 0.29 N ATOM 1027 CA GLY A 64 0.802 11.832 -5.415 1.00 0.35 C ATOM 1028 C GLY A 64 0.061 11.096 -4.318 1.00 0.38 C ATOM 1029 O GLY A 64 -1.144 10.875 -4.427 1.00 0.50 O ATOM 0 H GLY A 64 -0.938 11.753 -6.572 1.00 0.29 H new ATOM 0 HA2 GLY A 64 1.538 11.167 -5.867 1.00 0.35 H new ATOM 0 HA3 GLY A 64 1.351 12.670 -4.985 1.00 0.35 H new ATOM 1033 N LEU A 65 0.769 10.720 -3.261 1.00 0.32 N ATOM 1034 CA LEU A 65 0.148 9.998 -2.156 1.00 0.35 C ATOM 1035 C LEU A 65 -0.734 10.915 -1.311 1.00 0.32 C ATOM 1036 O LEU A 65 -1.744 10.475 -0.760 1.00 0.35 O ATOM 1037 CB LEU A 65 1.193 9.293 -1.268 1.00 0.43 C ATOM 1038 CG LEU A 65 2.590 9.934 -1.178 1.00 0.94 C ATOM 1039 CD1 LEU A 65 3.412 9.628 -2.422 1.00 1.62 C ATOM 1040 CD2 LEU A 65 2.500 11.437 -0.949 1.00 0.86 C ATOM 0 H LEU A 65 1.766 10.901 -3.145 1.00 0.32 H new ATOM 0 HA LEU A 65 -0.484 9.231 -2.603 1.00 0.35 H new ATOM 0 HB2 LEU A 65 0.787 9.225 -0.259 1.00 0.43 H new ATOM 0 HB3 LEU A 65 1.313 8.273 -1.633 1.00 0.43 H new ATOM 0 HG LEU A 65 3.096 9.496 -0.318 1.00 0.94 H new ATOM 0 HD11 LEU A 65 4.394 10.092 -2.333 1.00 1.62 H new ATOM 0 HD12 LEU A 65 3.529 8.549 -2.525 1.00 1.62 H new ATOM 0 HD13 LEU A 65 2.903 10.023 -3.301 1.00 1.62 H new ATOM 0 HD21 LEU A 65 3.504 11.857 -0.890 1.00 0.86 H new ATOM 0 HD22 LEU A 65 1.961 11.899 -1.776 1.00 0.86 H new ATOM 0 HD23 LEU A 65 1.970 11.632 -0.016 1.00 0.86 H new ATOM 1052 N THR A 66 -0.357 12.185 -1.210 1.00 0.35 N ATOM 1053 CA THR A 66 -1.132 13.145 -0.434 1.00 0.36 C ATOM 1054 C THR A 66 -2.389 13.552 -1.185 1.00 0.30 C ATOM 1055 O THR A 66 -3.408 13.887 -0.578 1.00 0.28 O ATOM 1056 CB THR A 66 -0.317 14.408 -0.104 1.00 0.47 C ATOM 1057 OG1 THR A 66 0.879 14.445 -0.891 1.00 0.76 O ATOM 1058 CG2 THR A 66 0.035 14.452 1.376 1.00 0.65 C ATOM 0 H THR A 66 0.476 12.572 -1.653 1.00 0.35 H new ATOM 0 HA THR A 66 -1.401 12.651 0.500 1.00 0.36 H new ATOM 0 HB THR A 66 -0.928 15.279 -0.341 1.00 0.47 H new ATOM 0 HG1 THR A 66 1.389 15.253 -0.674 1.00 0.76 H new ATOM 0 HG21 THR A 66 0.611 15.353 1.586 1.00 0.65 H new ATOM 0 HG22 THR A 66 -0.880 14.460 1.968 1.00 0.65 H new ATOM 0 HG23 THR A 66 0.627 13.574 1.635 1.00 0.65 H new ATOM 1066 N GLN A 67 -2.311 13.521 -2.509 1.00 0.30 N ATOM 1067 CA GLN A 67 -3.443 13.889 -3.345 1.00 0.29 C ATOM 1068 C GLN A 67 -4.564 12.864 -3.207 1.00 0.23 C ATOM 1069 O GLN A 67 -5.733 13.225 -3.142 1.00 0.28 O ATOM 1070 CB GLN A 67 -3.003 14.035 -4.804 1.00 0.35 C ATOM 1071 CG GLN A 67 -1.743 14.870 -4.960 1.00 0.93 C ATOM 1072 CD GLN A 67 -1.846 16.229 -4.293 1.00 1.08 C ATOM 1073 OE1 GLN A 67 -0.852 16.770 -3.808 1.00 1.29 O ATOM 1074 NE2 GLN A 67 -3.048 16.795 -4.275 1.00 1.77 N ATOM 0 H GLN A 67 -1.476 13.245 -3.025 1.00 0.30 H new ATOM 0 HA GLN A 67 -3.827 14.853 -3.011 1.00 0.29 H new ATOM 0 HB2 GLN A 67 -2.832 13.045 -5.228 1.00 0.35 H new ATOM 0 HB3 GLN A 67 -3.809 14.492 -5.378 1.00 0.35 H new ATOM 0 HG2 GLN A 67 -0.899 14.326 -4.536 1.00 0.93 H new ATOM 0 HG3 GLN A 67 -1.534 15.007 -6.021 1.00 0.93 H new ATOM 0 HE21 GLN A 67 -3.845 16.312 -4.688 1.00 1.77 H new ATOM 0 HE22 GLN A 67 -3.173 17.713 -3.848 1.00 1.77 H new ATOM 1083 N VAL A 68 -4.204 11.587 -3.151 1.00 0.22 N ATOM 1084 CA VAL A 68 -5.195 10.527 -2.993 1.00 0.26 C ATOM 1085 C VAL A 68 -5.914 10.664 -1.665 1.00 0.28 C ATOM 1086 O VAL A 68 -7.088 10.327 -1.535 1.00 0.39 O ATOM 1087 CB VAL A 68 -4.547 9.135 -3.013 1.00 0.37 C ATOM 1088 CG1 VAL A 68 -5.612 8.047 -3.009 1.00 0.69 C ATOM 1089 CG2 VAL A 68 -3.623 8.980 -4.208 1.00 0.52 C ATOM 0 H VAL A 68 -3.240 11.261 -3.212 1.00 0.22 H new ATOM 0 HA VAL A 68 -5.889 10.627 -3.828 1.00 0.26 H new ATOM 0 HB VAL A 68 -3.946 9.030 -2.110 1.00 0.37 H new ATOM 0 HG11 VAL A 68 -5.132 7.068 -3.023 1.00 0.69 H new ATOM 0 HG12 VAL A 68 -6.222 8.139 -2.111 1.00 0.69 H new ATOM 0 HG13 VAL A 68 -6.245 8.154 -3.890 1.00 0.69 H new ATOM 0 HG21 VAL A 68 -3.178 7.985 -4.197 1.00 0.52 H new ATOM 0 HG22 VAL A 68 -4.192 9.113 -5.128 1.00 0.52 H new ATOM 0 HG23 VAL A 68 -2.834 9.731 -4.158 1.00 0.52 H new ATOM 1099 N ASN A 69 -5.189 11.177 -0.685 1.00 0.24 N ATOM 1100 CA ASN A 69 -5.708 11.318 0.662 1.00 0.29 C ATOM 1101 C ASN A 69 -6.795 12.391 0.802 1.00 0.31 C ATOM 1102 O ASN A 69 -7.623 12.304 1.709 1.00 0.40 O ATOM 1103 CB ASN A 69 -4.562 11.622 1.629 1.00 0.30 C ATOM 1104 CG ASN A 69 -4.997 11.573 3.081 1.00 0.43 C ATOM 1105 OD1 ASN A 69 -4.482 12.312 3.921 1.00 1.20 O ATOM 1106 ND2 ASN A 69 -5.944 10.694 3.388 1.00 1.17 N ATOM 0 H ASN A 69 -4.230 11.505 -0.801 1.00 0.24 H new ATOM 0 HA ASN A 69 -6.181 10.367 0.906 1.00 0.29 H new ATOM 0 HB2 ASN A 69 -3.757 10.904 1.470 1.00 0.30 H new ATOM 0 HB3 ASN A 69 -4.157 12.609 1.408 1.00 0.30 H new ATOM 0 HD21 ASN A 69 -6.271 10.612 4.351 1.00 1.17 H new ATOM 0 HD22 ASN A 69 -6.344 10.101 2.661 1.00 1.17 H new ATOM 1113 N LYS A 70 -6.810 13.400 -0.074 1.00 0.28 N ATOM 1114 CA LYS A 70 -7.802 14.472 0.065 1.00 0.38 C ATOM 1115 C LYS A 70 -8.437 14.924 -1.257 1.00 0.33 C ATOM 1116 O LYS A 70 -9.298 15.803 -1.251 1.00 0.36 O ATOM 1117 CB LYS A 70 -7.144 15.677 0.744 1.00 0.47 C ATOM 1118 CG LYS A 70 -6.163 16.420 -0.149 1.00 0.46 C ATOM 1119 CD LYS A 70 -5.491 17.558 0.599 1.00 0.74 C ATOM 1120 CE LYS A 70 -4.441 17.047 1.573 1.00 1.09 C ATOM 1121 NZ LYS A 70 -3.791 18.158 2.323 1.00 1.81 N ATOM 0 H LYS A 70 -6.170 13.498 -0.862 1.00 0.28 H new ATOM 0 HA LYS A 70 -8.613 14.061 0.666 1.00 0.38 H new ATOM 0 HB2 LYS A 70 -7.921 16.369 1.070 1.00 0.47 H new ATOM 0 HB3 LYS A 70 -6.623 15.339 1.639 1.00 0.47 H new ATOM 0 HG2 LYS A 70 -5.407 15.727 -0.518 1.00 0.46 H new ATOM 0 HG3 LYS A 70 -6.687 16.813 -1.020 1.00 0.46 H new ATOM 0 HD2 LYS A 70 -5.026 18.238 -0.115 1.00 0.74 H new ATOM 0 HD3 LYS A 70 -6.243 18.131 1.142 1.00 0.74 H new ATOM 0 HE2 LYS A 70 -4.905 16.356 2.277 1.00 1.09 H new ATOM 0 HE3 LYS A 70 -3.683 16.485 1.028 1.00 1.09 H new ATOM 0 HZ1 LYS A 70 -3.082 17.768 2.976 1.00 1.81 H new ATOM 0 HZ2 LYS A 70 -3.326 18.804 1.653 1.00 1.81 H new ATOM 0 HZ3 LYS A 70 -4.510 18.679 2.864 1.00 1.81 H new ATOM 1135 N ASN A 71 -8.030 14.343 -2.379 1.00 0.28 N ATOM 1136 CA ASN A 71 -8.590 14.749 -3.673 1.00 0.27 C ATOM 1137 C ASN A 71 -9.647 13.773 -4.188 1.00 0.28 C ATOM 1138 O ASN A 71 -9.996 13.809 -5.369 1.00 0.29 O ATOM 1139 CB ASN A 71 -7.483 14.913 -4.715 1.00 0.24 C ATOM 1140 CG ASN A 71 -6.601 16.114 -4.435 1.00 0.99 C ATOM 1141 OD1 ASN A 71 -5.629 16.024 -3.686 1.00 1.94 O ATOM 1142 ND2 ASN A 71 -6.935 17.248 -5.041 1.00 1.26 N ATOM 0 H ASN A 71 -7.329 13.604 -2.426 1.00 0.28 H new ATOM 0 HA ASN A 71 -9.081 15.708 -3.511 1.00 0.27 H new ATOM 0 HB2 ASN A 71 -6.870 14.012 -4.735 1.00 0.24 H new ATOM 0 HB3 ASN A 71 -7.930 15.016 -5.704 1.00 0.24 H new ATOM 0 HD21 ASN A 71 -6.377 18.089 -4.893 1.00 1.26 H new ATOM 0 HD22 ASN A 71 -7.750 17.278 -5.654 1.00 1.26 H new ATOM 1149 N LYS A 72 -10.162 12.911 -3.313 1.00 0.30 N ATOM 1150 CA LYS A 72 -11.183 11.942 -3.718 1.00 0.33 C ATOM 1151 C LYS A 72 -10.682 11.076 -4.856 1.00 0.30 C ATOM 1152 O LYS A 72 -11.469 10.515 -5.620 1.00 0.33 O ATOM 1153 CB LYS A 72 -12.465 12.667 -4.127 1.00 0.40 C ATOM 1154 CG LYS A 72 -13.159 13.340 -2.959 1.00 0.85 C ATOM 1155 CD LYS A 72 -14.255 14.281 -3.424 1.00 0.88 C ATOM 1156 CE LYS A 72 -14.898 14.987 -2.246 1.00 1.61 C ATOM 1157 NZ LYS A 72 -15.817 14.090 -1.494 1.00 2.04 N ATOM 0 H LYS A 72 -9.894 12.862 -2.330 1.00 0.30 H new ATOM 0 HA LYS A 72 -11.400 11.295 -2.868 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -12.228 13.416 -4.883 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.149 11.954 -4.588 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -13.585 12.581 -2.303 1.00 0.85 H new ATOM 0 HG3 LYS A 72 -12.428 13.895 -2.372 1.00 0.85 H new ATOM 0 HD2 LYS A 72 -13.840 15.017 -4.112 1.00 0.88 H new ATOM 0 HD3 LYS A 72 -15.011 13.721 -3.974 1.00 0.88 H new ATOM 0 HE2 LYS A 72 -14.121 15.355 -1.576 1.00 1.61 H new ATOM 0 HE3 LYS A 72 -15.450 15.857 -2.602 1.00 1.61 H new ATOM 0 HZ1 LYS A 72 -16.236 14.611 -0.697 1.00 2.04 H new ATOM 0 HZ2 LYS A 72 -16.573 13.759 -2.126 1.00 2.04 H new ATOM 0 HZ3 LYS A 72 -15.285 13.273 -1.132 1.00 2.04 H new ATOM 1171 N LYS A 73 -9.366 10.964 -4.961 1.00 0.25 N ATOM 1172 CA LYS A 73 -8.765 10.152 -5.997 1.00 0.24 C ATOM 1173 C LYS A 73 -9.079 8.687 -5.764 1.00 0.23 C ATOM 1174 O LYS A 73 -9.169 7.923 -6.714 1.00 0.25 O ATOM 1175 CB LYS A 73 -7.255 10.352 -6.045 1.00 0.31 C ATOM 1176 CG LYS A 73 -6.830 11.809 -6.135 1.00 0.35 C ATOM 1177 CD LYS A 73 -6.919 12.330 -7.562 1.00 0.36 C ATOM 1178 CE LYS A 73 -8.324 12.792 -7.909 1.00 0.79 C ATOM 1179 NZ LYS A 73 -8.372 13.483 -9.226 1.00 0.77 N ATOM 0 H LYS A 73 -8.700 11.425 -4.342 1.00 0.25 H new ATOM 0 HA LYS A 73 -9.185 10.464 -6.953 1.00 0.24 H new ATOM 0 HB2 LYS A 73 -6.811 9.908 -5.154 1.00 0.31 H new ATOM 0 HB3 LYS A 73 -6.854 9.813 -6.903 1.00 0.31 H new ATOM 0 HG2 LYS A 73 -7.463 12.414 -5.486 1.00 0.35 H new ATOM 0 HG3 LYS A 73 -5.808 11.914 -5.772 1.00 0.35 H new ATOM 0 HD2 LYS A 73 -6.222 13.158 -7.690 1.00 0.36 H new ATOM 0 HD3 LYS A 73 -6.613 11.546 -8.255 1.00 0.36 H new ATOM 0 HE2 LYS A 73 -8.995 11.933 -7.925 1.00 0.79 H new ATOM 0 HE3 LYS A 73 -8.687 13.465 -7.132 1.00 0.79 H new ATOM 0 HZ1 LYS A 73 -9.348 13.782 -9.426 1.00 0.77 H new ATOM 0 HZ2 LYS A 73 -7.752 14.317 -9.203 1.00 0.77 H new ATOM 0 HZ3 LYS A 73 -8.050 12.833 -9.971 1.00 0.77 H new ATOM 1193 N TRP A 74 -9.246 8.295 -4.496 1.00 0.22 N ATOM 1194 CA TRP A 74 -9.555 6.902 -4.180 1.00 0.24 C ATOM 1195 C TRP A 74 -10.655 6.394 -5.089 1.00 0.23 C ATOM 1196 O TRP A 74 -10.571 5.291 -5.635 1.00 0.22 O ATOM 1197 CB TRP A 74 -9.971 6.711 -2.717 1.00 0.26 C ATOM 1198 CG TRP A 74 -10.354 7.968 -1.991 1.00 0.43 C ATOM 1199 CD1 TRP A 74 -9.527 8.778 -1.269 1.00 1.46 C ATOM 1200 CD2 TRP A 74 -11.664 8.540 -1.889 1.00 0.82 C ATOM 1201 NE1 TRP A 74 -10.240 9.820 -0.727 1.00 1.40 N ATOM 1202 CE2 TRP A 74 -11.553 9.696 -1.095 1.00 0.70 C ATOM 1203 CE3 TRP A 74 -12.917 8.190 -2.397 1.00 2.03 C ATOM 1204 CZ2 TRP A 74 -12.651 10.501 -0.794 1.00 1.11 C ATOM 1205 CZ3 TRP A 74 -14.005 8.988 -2.097 1.00 2.68 C ATOM 1206 CH2 TRP A 74 -13.865 10.133 -1.303 1.00 2.12 C ATOM 0 H TRP A 74 -9.173 8.912 -3.687 1.00 0.22 H new ATOM 0 HA TRP A 74 -8.642 6.329 -4.340 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -10.813 6.020 -2.683 1.00 0.26 H new ATOM 0 HB3 TRP A 74 -9.148 6.237 -2.181 1.00 0.26 H new ATOM 0 HD1 TRP A 74 -8.466 8.623 -1.142 1.00 1.46 H new ATOM 0 HE1 TRP A 74 -9.854 10.564 -0.146 1.00 1.40 H new ATOM 0 HE3 TRP A 74 -13.034 7.311 -3.014 1.00 2.03 H new ATOM 0 HZ2 TRP A 74 -12.546 11.384 -0.181 1.00 1.11 H new ATOM 0 HZ3 TRP A 74 -14.979 8.724 -2.481 1.00 2.68 H new ATOM 0 HH2 TRP A 74 -14.734 10.738 -1.088 1.00 2.12 H new ATOM 1217 N ARG A 75 -11.688 7.206 -5.254 1.00 0.25 N ATOM 1218 CA ARG A 75 -12.792 6.829 -6.117 1.00 0.26 C ATOM 1219 C ARG A 75 -12.329 6.796 -7.570 1.00 0.23 C ATOM 1220 O ARG A 75 -12.794 5.981 -8.368 1.00 0.23 O ATOM 1221 CB ARG A 75 -13.956 7.802 -5.947 1.00 0.30 C ATOM 1222 CG ARG A 75 -15.197 7.405 -6.723 1.00 0.43 C ATOM 1223 CD ARG A 75 -16.436 8.060 -6.141 1.00 0.48 C ATOM 1224 NE ARG A 75 -16.319 9.515 -6.105 1.00 1.25 N ATOM 1225 CZ ARG A 75 -17.130 10.339 -6.762 1.00 1.68 C ATOM 1226 NH1 ARG A 75 -18.112 9.853 -7.512 1.00 1.51 N ATOM 1227 NH2 ARG A 75 -16.960 11.650 -6.673 1.00 2.57 N ATOM 0 H ARG A 75 -11.783 8.118 -4.807 1.00 0.25 H new ATOM 0 HA ARG A 75 -13.135 5.833 -5.837 1.00 0.26 H new ATOM 0 HB2 ARG A 75 -14.207 7.874 -4.889 1.00 0.30 H new ATOM 0 HB3 ARG A 75 -13.639 8.794 -6.268 1.00 0.30 H new ATOM 0 HG2 ARG A 75 -15.085 7.695 -7.768 1.00 0.43 H new ATOM 0 HG3 ARG A 75 -15.311 6.321 -6.703 1.00 0.43 H new ATOM 0 HD2 ARG A 75 -17.307 7.781 -6.734 1.00 0.48 H new ATOM 0 HD3 ARG A 75 -16.605 7.685 -5.132 1.00 0.48 H new ATOM 0 HE ARG A 75 -15.572 9.923 -5.543 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -18.246 8.845 -7.586 1.00 1.51 H new ATOM 0 HH12 ARG A 75 -18.732 10.488 -8.014 1.00 1.51 H new ATOM 0 HH21 ARG A 75 -16.206 12.029 -6.100 1.00 2.57 H new ATOM 0 HH22 ARG A 75 -17.583 12.280 -7.178 1.00 2.57 H new ATOM 1241 N GLU A 76 -11.395 7.685 -7.898 1.00 0.23 N ATOM 1242 CA GLU A 76 -10.854 7.766 -9.249 1.00 0.22 C ATOM 1243 C GLU A 76 -10.044 6.522 -9.596 1.00 0.20 C ATOM 1244 O GLU A 76 -10.220 5.957 -10.670 1.00 0.20 O ATOM 1245 CB GLU A 76 -9.990 9.019 -9.407 1.00 0.25 C ATOM 1246 CG GLU A 76 -10.734 10.308 -9.100 1.00 1.27 C ATOM 1247 CD GLU A 76 -11.924 10.528 -10.013 1.00 1.67 C ATOM 1248 OE1 GLU A 76 -11.742 11.130 -11.092 1.00 2.09 O ATOM 1249 OE2 GLU A 76 -13.039 10.097 -9.649 1.00 2.05 O ATOM 0 H GLU A 76 -10.998 8.360 -7.244 1.00 0.23 H new ATOM 0 HA GLU A 76 -11.695 7.827 -9.940 1.00 0.22 H new ATOM 0 HB2 GLU A 76 -9.126 8.941 -8.747 1.00 0.25 H new ATOM 0 HB3 GLU A 76 -9.609 9.062 -10.427 1.00 0.25 H new ATOM 0 HG2 GLU A 76 -11.074 10.289 -8.065 1.00 1.27 H new ATOM 0 HG3 GLU A 76 -10.048 11.150 -9.194 1.00 1.27 H new ATOM 1256 N LEU A 77 -9.160 6.088 -8.692 1.00 0.19 N ATOM 1257 CA LEU A 77 -8.352 4.901 -8.951 1.00 0.19 C ATOM 1258 C LEU A 77 -9.234 3.665 -8.999 1.00 0.19 C ATOM 1259 O LEU A 77 -9.009 2.770 -9.813 1.00 0.22 O ATOM 1260 CB LEU A 77 -7.233 4.723 -7.914 1.00 0.20 C ATOM 1261 CG LEU A 77 -7.555 5.185 -6.491 1.00 0.18 C ATOM 1262 CD1 LEU A 77 -7.216 4.108 -5.477 1.00 0.21 C ATOM 1263 CD2 LEU A 77 -6.788 6.453 -6.150 1.00 0.24 C ATOM 0 H LEU A 77 -8.990 6.534 -7.791 1.00 0.19 H new ATOM 0 HA LEU A 77 -7.873 5.038 -9.920 1.00 0.19 H new ATOM 0 HB2 LEU A 77 -6.962 3.668 -7.879 1.00 0.20 H new ATOM 0 HB3 LEU A 77 -6.354 5.267 -8.261 1.00 0.20 H new ATOM 0 HG LEU A 77 -8.625 5.388 -6.448 1.00 0.18 H new ATOM 0 HD11 LEU A 77 -7.455 4.464 -4.475 1.00 0.21 H new ATOM 0 HD12 LEU A 77 -7.796 3.211 -5.692 1.00 0.21 H new ATOM 0 HD13 LEU A 77 -6.153 3.875 -5.535 1.00 0.21 H new ATOM 0 HD21 LEU A 77 -7.032 6.764 -5.134 1.00 0.24 H new ATOM 0 HD22 LEU A 77 -5.717 6.262 -6.224 1.00 0.24 H new ATOM 0 HD23 LEU A 77 -7.064 7.244 -6.847 1.00 0.24 H new ATOM 1275 N ALA A 78 -10.240 3.612 -8.126 1.00 0.20 N ATOM 1276 CA ALA A 78 -11.157 2.483 -8.125 1.00 0.21 C ATOM 1277 C ALA A 78 -11.857 2.405 -9.478 1.00 0.21 C ATOM 1278 O ALA A 78 -12.026 1.331 -10.047 1.00 0.23 O ATOM 1279 CB ALA A 78 -12.169 2.609 -6.997 1.00 0.24 C ATOM 0 H ALA A 78 -10.435 4.326 -7.424 1.00 0.20 H new ATOM 0 HA ALA A 78 -10.595 1.564 -7.959 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -12.844 1.753 -7.017 1.00 0.24 H new ATOM 0 HB2 ALA A 78 -11.646 2.637 -6.041 1.00 0.24 H new ATOM 0 HB3 ALA A 78 -12.743 3.527 -7.124 1.00 0.24 H new ATOM 1285 N THR A 79 -12.257 3.568 -9.989 1.00 0.21 N ATOM 1286 CA THR A 79 -12.922 3.657 -11.285 1.00 0.23 C ATOM 1287 C THR A 79 -11.935 3.437 -12.433 1.00 0.24 C ATOM 1288 O THR A 79 -12.285 2.876 -13.473 1.00 0.28 O ATOM 1289 CB THR A 79 -13.594 5.033 -11.469 1.00 0.25 C ATOM 1290 OG1 THR A 79 -14.452 5.313 -10.357 1.00 0.25 O ATOM 1291 CG2 THR A 79 -14.398 5.076 -12.760 1.00 0.30 C ATOM 0 H THR A 79 -12.131 4.466 -9.521 1.00 0.21 H new ATOM 0 HA THR A 79 -13.680 2.874 -11.306 1.00 0.23 H new ATOM 0 HB THR A 79 -12.811 5.789 -11.522 1.00 0.25 H new ATOM 0 HG1 THR A 79 -13.926 5.703 -9.628 1.00 0.25 H new ATOM 0 HG21 THR A 79 -14.862 6.056 -12.867 1.00 0.30 H new ATOM 0 HG22 THR A 79 -13.737 4.893 -13.607 1.00 0.30 H new ATOM 0 HG23 THR A 79 -15.172 4.309 -12.732 1.00 0.30 H new ATOM 1299 N ASN A 80 -10.699 3.884 -12.228 1.00 0.22 N ATOM 1300 CA ASN A 80 -9.647 3.780 -13.239 1.00 0.25 C ATOM 1301 C ASN A 80 -9.247 2.334 -13.522 1.00 0.29 C ATOM 1302 O ASN A 80 -8.737 2.028 -14.601 1.00 0.37 O ATOM 1303 CB ASN A 80 -8.416 4.579 -12.801 1.00 0.25 C ATOM 1304 CG ASN A 80 -8.625 6.080 -12.905 1.00 0.98 C ATOM 1305 OD1 ASN A 80 -8.051 6.851 -12.136 1.00 1.68 O ATOM 1306 ND2 ASN A 80 -9.451 6.502 -13.856 1.00 1.75 N ATOM 0 H ASN A 80 -10.398 4.327 -11.360 1.00 0.22 H new ATOM 0 HA ASN A 80 -10.051 4.193 -14.163 1.00 0.25 H new ATOM 0 HB2 ASN A 80 -8.168 4.321 -11.771 1.00 0.25 H new ATOM 0 HB3 ASN A 80 -7.563 4.291 -13.416 1.00 0.25 H new ATOM 0 HD21 ASN A 80 -9.630 7.500 -13.970 1.00 1.75 H new ATOM 0 HD22 ASN A 80 -9.906 5.828 -14.472 1.00 1.75 H new ATOM 1313 N LEU A 81 -9.476 1.448 -12.562 1.00 0.36 N ATOM 1314 CA LEU A 81 -9.104 0.046 -12.725 1.00 0.40 C ATOM 1315 C LEU A 81 -10.326 -0.872 -12.748 1.00 0.42 C ATOM 1316 O LEU A 81 -10.241 -2.037 -12.359 1.00 0.45 O ATOM 1317 CB LEU A 81 -8.156 -0.361 -11.597 1.00 0.41 C ATOM 1318 CG LEU A 81 -6.877 0.470 -11.499 1.00 0.44 C ATOM 1319 CD1 LEU A 81 -6.121 0.125 -10.229 1.00 0.43 C ATOM 1320 CD2 LEU A 81 -5.998 0.246 -12.722 1.00 0.50 C ATOM 0 H LEU A 81 -9.914 1.671 -11.668 1.00 0.36 H new ATOM 0 HA LEU A 81 -8.603 -0.062 -13.687 1.00 0.40 H new ATOM 0 HB2 LEU A 81 -8.691 -0.291 -10.650 1.00 0.41 H new ATOM 0 HB3 LEU A 81 -7.882 -1.407 -11.732 1.00 0.41 H new ATOM 0 HG LEU A 81 -7.151 1.524 -11.464 1.00 0.44 H new ATOM 0 HD11 LEU A 81 -5.212 0.724 -10.172 1.00 0.43 H new ATOM 0 HD12 LEU A 81 -6.749 0.335 -9.363 1.00 0.43 H new ATOM 0 HD13 LEU A 81 -5.858 -0.933 -10.238 1.00 0.43 H new ATOM 0 HD21 LEU A 81 -5.092 0.846 -12.634 1.00 0.50 H new ATOM 0 HD22 LEU A 81 -5.730 -0.808 -12.789 1.00 0.50 H new ATOM 0 HD23 LEU A 81 -6.542 0.540 -13.620 1.00 0.50 H new ATOM 1332 N ASN A 82 -11.457 -0.346 -13.218 1.00 0.44 N ATOM 1333 CA ASN A 82 -12.693 -1.124 -13.297 1.00 0.48 C ATOM 1334 C ASN A 82 -13.005 -1.791 -11.961 1.00 0.43 C ATOM 1335 O ASN A 82 -13.625 -2.854 -11.910 1.00 0.66 O ATOM 1336 CB ASN A 82 -12.583 -2.186 -14.396 1.00 0.57 C ATOM 1337 CG ASN A 82 -12.581 -1.591 -15.794 1.00 1.28 C ATOM 1338 OD1 ASN A 82 -13.064 -2.209 -16.742 1.00 2.00 O ATOM 1339 ND2 ASN A 82 -12.031 -0.389 -15.934 1.00 2.01 N ATOM 0 H ASN A 82 -11.543 0.615 -13.550 1.00 0.44 H new ATOM 0 HA ASN A 82 -13.507 -0.440 -13.540 1.00 0.48 H new ATOM 0 HB2 ASN A 82 -11.668 -2.760 -14.249 1.00 0.57 H new ATOM 0 HB3 ASN A 82 -13.415 -2.884 -14.305 1.00 0.57 H new ATOM 0 HD21 ASN A 82 -11.999 0.053 -16.853 1.00 2.01 H new ATOM 0 HD22 ASN A 82 -11.641 0.091 -15.123 1.00 2.01 H new ATOM 1346 N VAL A 83 -12.578 -1.146 -10.886 1.00 0.35 N ATOM 1347 CA VAL A 83 -12.782 -1.657 -9.536 1.00 0.35 C ATOM 1348 C VAL A 83 -14.114 -1.189 -8.956 1.00 0.43 C ATOM 1349 O VAL A 83 -14.650 -1.802 -8.033 1.00 0.50 O ATOM 1350 CB VAL A 83 -11.631 -1.204 -8.620 1.00 0.46 C ATOM 1351 CG1 VAL A 83 -11.799 -1.736 -7.216 1.00 1.16 C ATOM 1352 CG2 VAL A 83 -10.299 -1.613 -9.220 1.00 1.39 C ATOM 0 H VAL A 83 -12.081 -0.256 -10.923 1.00 0.35 H new ATOM 0 HA VAL A 83 -12.799 -2.745 -9.592 1.00 0.35 H new ATOM 0 HB VAL A 83 -11.654 -0.117 -8.547 1.00 0.46 H new ATOM 0 HG11 VAL A 83 -10.969 -1.397 -6.597 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -12.737 -1.370 -6.798 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -11.813 -2.826 -7.239 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -9.490 -1.289 -8.565 1.00 1.39 H new ATOM 0 HG22 VAL A 83 -10.266 -2.697 -9.328 1.00 1.39 H new ATOM 0 HG23 VAL A 83 -10.183 -1.148 -10.199 1.00 1.39 H new ATOM 1362 N GLY A 84 -14.646 -0.106 -9.508 1.00 0.49 N ATOM 1363 CA GLY A 84 -15.910 0.424 -9.032 1.00 0.67 C ATOM 1364 C GLY A 84 -15.880 1.931 -8.897 1.00 0.86 C ATOM 1365 O GLY A 84 -14.876 2.564 -9.218 1.00 1.76 O ATOM 0 H GLY A 84 -14.225 0.415 -10.277 1.00 0.49 H new ATOM 0 HA2 GLY A 84 -16.705 0.138 -9.721 1.00 0.67 H new ATOM 0 HA3 GLY A 84 -16.149 -0.021 -8.066 1.00 0.67 H new ATOM 1369 N THR A 85 -16.976 2.508 -8.420 1.00 0.54 N ATOM 1370 CA THR A 85 -17.055 3.954 -8.257 1.00 0.53 C ATOM 1371 C THR A 85 -17.676 4.333 -6.913 1.00 0.75 C ATOM 1372 O THR A 85 -17.502 3.620 -5.925 1.00 1.28 O ATOM 1373 CB THR A 85 -17.864 4.599 -9.399 1.00 0.56 C ATOM 1374 OG1 THR A 85 -19.248 4.245 -9.282 1.00 0.64 O ATOM 1375 CG2 THR A 85 -17.339 4.151 -10.757 1.00 0.65 C ATOM 0 H THR A 85 -17.816 2.001 -8.141 1.00 0.54 H new ATOM 0 HA THR A 85 -16.034 4.333 -8.288 1.00 0.53 H new ATOM 0 HB THR A 85 -17.756 5.681 -9.321 1.00 0.56 H new ATOM 0 HG1 THR A 85 -19.755 4.661 -10.011 1.00 0.64 H new ATOM 0 HG21 THR A 85 -17.926 4.620 -11.547 1.00 0.65 H new ATOM 0 HG22 THR A 85 -16.294 4.445 -10.858 1.00 0.65 H new ATOM 0 HG23 THR A 85 -17.420 3.067 -10.839 1.00 0.65 H new ATOM 1383 N SER A 86 -18.386 5.465 -6.884 1.00 1.21 N ATOM 1384 CA SER A 86 -19.028 5.952 -5.663 1.00 1.44 C ATOM 1385 C SER A 86 -19.757 4.833 -4.928 1.00 0.94 C ATOM 1386 O SER A 86 -20.930 4.561 -5.192 1.00 1.80 O ATOM 1387 CB SER A 86 -20.006 7.083 -5.993 1.00 2.34 C ATOM 1388 OG SER A 86 -20.992 6.654 -6.916 1.00 2.95 O ATOM 0 H SER A 86 -18.530 6.063 -7.698 1.00 1.21 H new ATOM 0 HA SER A 86 -18.245 6.331 -5.007 1.00 1.44 H new ATOM 0 HB2 SER A 86 -20.487 7.430 -5.078 1.00 2.34 H new ATOM 0 HB3 SER A 86 -19.460 7.930 -6.408 1.00 2.34 H new ATOM 0 HG SER A 86 -21.348 5.786 -6.634 1.00 2.95 H new ATOM 1394 N SER A 87 -19.048 4.195 -4.002 1.00 0.79 N ATOM 1395 CA SER A 87 -19.602 3.099 -3.216 1.00 1.15 C ATOM 1396 C SER A 87 -18.546 2.558 -2.254 1.00 0.95 C ATOM 1397 O SER A 87 -17.580 3.248 -1.928 1.00 0.92 O ATOM 1398 CB SER A 87 -20.096 1.977 -4.137 1.00 1.76 C ATOM 1399 OG SER A 87 -20.894 1.046 -3.429 1.00 2.42 O ATOM 0 H SER A 87 -18.079 4.422 -3.777 1.00 0.79 H new ATOM 0 HA SER A 87 -20.447 3.476 -2.641 1.00 1.15 H new ATOM 0 HB2 SER A 87 -20.673 2.404 -4.957 1.00 1.76 H new ATOM 0 HB3 SER A 87 -19.242 1.465 -4.580 1.00 1.76 H new ATOM 0 HG SER A 87 -21.197 0.343 -4.041 1.00 2.42 H new ATOM 1405 N SER A 88 -18.740 1.325 -1.804 1.00 0.90 N ATOM 1406 CA SER A 88 -17.806 0.683 -0.886 1.00 0.79 C ATOM 1407 C SER A 88 -16.420 0.544 -1.514 1.00 0.60 C ATOM 1408 O SER A 88 -15.422 0.409 -0.807 1.00 0.53 O ATOM 1409 CB SER A 88 -18.330 -0.694 -0.475 1.00 0.91 C ATOM 1410 OG SER A 88 -18.541 -1.518 -1.609 1.00 1.36 O ATOM 0 H SER A 88 -19.540 0.746 -2.061 1.00 0.90 H new ATOM 0 HA SER A 88 -17.719 1.314 -0.002 1.00 0.79 H new ATOM 0 HB2 SER A 88 -17.618 -1.172 0.198 1.00 0.91 H new ATOM 0 HB3 SER A 88 -19.264 -0.582 0.076 1.00 0.91 H new ATOM 0 HG SER A 88 -18.874 -2.393 -1.320 1.00 1.36 H new ATOM 1416 N ALA A 89 -16.367 0.575 -2.844 1.00 0.54 N ATOM 1417 CA ALA A 89 -15.105 0.427 -3.565 1.00 0.40 C ATOM 1418 C ALA A 89 -14.096 1.504 -3.192 1.00 0.33 C ATOM 1419 O ALA A 89 -12.914 1.218 -3.058 1.00 0.29 O ATOM 1420 CB ALA A 89 -15.343 0.433 -5.072 1.00 0.39 C ATOM 0 H ALA A 89 -17.182 0.701 -3.444 1.00 0.54 H new ATOM 0 HA ALA A 89 -14.683 -0.534 -3.270 1.00 0.40 H new ATOM 0 HB1 ALA A 89 -14.391 0.322 -5.591 1.00 0.39 H new ATOM 0 HB2 ALA A 89 -16.001 -0.394 -5.340 1.00 0.39 H new ATOM 0 HB3 ALA A 89 -15.807 1.375 -5.363 1.00 0.39 H new ATOM 1426 N ALA A 90 -14.552 2.738 -3.030 1.00 0.37 N ATOM 1427 CA ALA A 90 -13.654 3.832 -2.676 1.00 0.35 C ATOM 1428 C ALA A 90 -12.997 3.592 -1.321 1.00 0.34 C ATOM 1429 O ALA A 90 -11.783 3.745 -1.174 1.00 0.32 O ATOM 1430 CB ALA A 90 -14.409 5.151 -2.678 1.00 0.42 C ATOM 0 H ALA A 90 -15.530 3.007 -3.137 1.00 0.37 H new ATOM 0 HA ALA A 90 -12.863 3.878 -3.424 1.00 0.35 H new ATOM 0 HB1 ALA A 90 -13.729 5.960 -2.412 1.00 0.42 H new ATOM 0 HB2 ALA A 90 -14.820 5.334 -3.671 1.00 0.42 H new ATOM 0 HB3 ALA A 90 -15.221 5.107 -1.952 1.00 0.42 H new ATOM 1436 N SER A 91 -13.798 3.204 -0.337 1.00 0.38 N ATOM 1437 CA SER A 91 -13.285 2.943 1.000 1.00 0.39 C ATOM 1438 C SER A 91 -12.313 1.767 0.989 1.00 0.36 C ATOM 1439 O SER A 91 -11.215 1.843 1.552 1.00 0.36 O ATOM 1440 CB SER A 91 -14.437 2.660 1.967 1.00 0.45 C ATOM 1441 OG SER A 91 -13.957 2.413 3.277 1.00 1.35 O ATOM 0 H SER A 91 -14.803 3.064 -0.440 1.00 0.38 H new ATOM 0 HA SER A 91 -12.750 3.831 1.336 1.00 0.39 H new ATOM 0 HB2 SER A 91 -15.120 3.509 1.981 1.00 0.45 H new ATOM 0 HB3 SER A 91 -15.006 1.799 1.617 1.00 0.45 H new ATOM 0 HG SER A 91 -14.713 2.237 3.875 1.00 1.35 H new ATOM 1447 N SER A 92 -12.714 0.686 0.325 1.00 0.34 N ATOM 1448 CA SER A 92 -11.883 -0.504 0.251 1.00 0.33 C ATOM 1449 C SER A 92 -10.632 -0.236 -0.572 1.00 0.29 C ATOM 1450 O SER A 92 -9.556 -0.744 -0.263 1.00 0.29 O ATOM 1451 CB SER A 92 -12.671 -1.666 -0.357 1.00 0.35 C ATOM 1452 OG SER A 92 -11.888 -2.846 -0.403 1.00 1.41 O ATOM 0 H SER A 92 -13.605 0.613 -0.166 1.00 0.34 H new ATOM 0 HA SER A 92 -11.581 -0.773 1.263 1.00 0.33 H new ATOM 0 HB2 SER A 92 -13.571 -1.846 0.231 1.00 0.35 H new ATOM 0 HB3 SER A 92 -12.995 -1.402 -1.364 1.00 0.35 H new ATOM 0 HG SER A 92 -12.415 -3.573 -0.794 1.00 1.41 H new ATOM 1458 N LEU A 93 -10.774 0.573 -1.618 1.00 0.27 N ATOM 1459 CA LEU A 93 -9.648 0.896 -2.479 1.00 0.24 C ATOM 1460 C LEU A 93 -8.731 1.895 -1.801 1.00 0.26 C ATOM 1461 O LEU A 93 -7.562 2.018 -2.156 1.00 0.27 O ATOM 1462 CB LEU A 93 -10.138 1.408 -3.834 1.00 0.21 C ATOM 1463 CG LEU A 93 -10.444 0.312 -4.858 1.00 0.23 C ATOM 1464 CD1 LEU A 93 -9.187 -0.050 -5.633 1.00 0.23 C ATOM 1465 CD2 LEU A 93 -11.023 -0.924 -4.173 1.00 0.29 C ATOM 0 H LEU A 93 -11.654 1.013 -1.886 1.00 0.27 H new ATOM 0 HA LEU A 93 -9.072 -0.011 -2.659 1.00 0.24 H new ATOM 0 HB2 LEU A 93 -11.038 2.003 -3.679 1.00 0.21 H new ATOM 0 HB3 LEU A 93 -9.383 2.075 -4.250 1.00 0.21 H new ATOM 0 HG LEU A 93 -11.189 0.693 -5.557 1.00 0.23 H new ATOM 0 HD11 LEU A 93 -9.419 -0.830 -6.358 1.00 0.23 H new ATOM 0 HD12 LEU A 93 -8.815 0.831 -6.155 1.00 0.23 H new ATOM 0 HD13 LEU A 93 -8.425 -0.411 -4.942 1.00 0.23 H new ATOM 0 HD21 LEU A 93 -11.233 -1.689 -4.920 1.00 0.29 H new ATOM 0 HD22 LEU A 93 -10.304 -1.310 -3.450 1.00 0.29 H new ATOM 0 HD23 LEU A 93 -11.946 -0.656 -3.659 1.00 0.29 H new ATOM 1477 N LYS A 94 -9.273 2.618 -0.828 1.00 0.29 N ATOM 1478 CA LYS A 94 -8.481 3.568 -0.066 1.00 0.33 C ATOM 1479 C LYS A 94 -7.547 2.791 0.849 1.00 0.34 C ATOM 1480 O LYS A 94 -6.344 3.051 0.907 1.00 0.36 O ATOM 1481 CB LYS A 94 -9.381 4.471 0.781 1.00 0.38 C ATOM 1482 CG LYS A 94 -9.115 5.959 0.608 1.00 0.44 C ATOM 1483 CD LYS A 94 -7.676 6.327 0.936 1.00 0.43 C ATOM 1484 CE LYS A 94 -7.348 6.072 2.397 1.00 0.41 C ATOM 1485 NZ LYS A 94 -6.075 6.730 2.802 1.00 0.48 N ATOM 0 H LYS A 94 -10.253 2.563 -0.551 1.00 0.29 H new ATOM 0 HA LYS A 94 -7.914 4.195 -0.754 1.00 0.33 H new ATOM 0 HB2 LYS A 94 -10.421 4.268 0.528 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -9.252 4.210 1.832 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -9.337 6.249 -0.419 1.00 0.44 H new ATOM 0 HG3 LYS A 94 -9.789 6.524 1.252 1.00 0.44 H new ATOM 0 HD2 LYS A 94 -7.000 5.749 0.305 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -7.508 7.379 0.704 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -8.162 6.440 3.022 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -7.273 4.999 2.571 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -5.736 6.312 3.692 1.00 0.48 H new ATOM 0 HZ2 LYS A 94 -5.360 6.590 2.059 1.00 0.48 H new ATOM 0 HZ3 LYS A 94 -6.238 7.748 2.938 1.00 0.48 H new ATOM 1499 N LYS A 95 -8.130 1.827 1.560 1.00 0.34 N ATOM 1500 CA LYS A 95 -7.376 0.981 2.476 1.00 0.37 C ATOM 1501 C LYS A 95 -6.431 0.069 1.707 1.00 0.35 C ATOM 1502 O LYS A 95 -5.350 -0.265 2.186 1.00 0.39 O ATOM 1503 CB LYS A 95 -8.335 0.143 3.326 1.00 0.40 C ATOM 1504 CG LYS A 95 -7.656 -0.607 4.458 1.00 0.50 C ATOM 1505 CD LYS A 95 -7.790 0.143 5.772 1.00 0.96 C ATOM 1506 CE LYS A 95 -7.213 -0.655 6.930 1.00 1.08 C ATOM 1507 NZ LYS A 95 -7.893 -1.969 7.094 1.00 1.19 N ATOM 0 H LYS A 95 -9.127 1.614 1.517 1.00 0.34 H new ATOM 0 HA LYS A 95 -6.785 1.621 3.131 1.00 0.37 H new ATOM 0 HB2 LYS A 95 -9.101 0.797 3.744 1.00 0.40 H new ATOM 0 HB3 LYS A 95 -8.844 -0.574 2.682 1.00 0.40 H new ATOM 0 HG2 LYS A 95 -8.096 -1.599 4.556 1.00 0.50 H new ATOM 0 HG3 LYS A 95 -6.601 -0.748 4.223 1.00 0.50 H new ATOM 0 HD2 LYS A 95 -7.277 1.102 5.699 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -8.841 0.357 5.964 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -6.148 -0.816 6.764 1.00 1.08 H new ATOM 0 HE3 LYS A 95 -7.309 -0.079 7.851 1.00 1.08 H new ATOM 0 HZ1 LYS A 95 -7.699 -2.344 8.044 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -8.919 -1.847 6.973 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.537 -2.636 6.380 1.00 1.19 H new ATOM 1521 N GLN A 96 -6.848 -0.344 0.519 1.00 0.30 N ATOM 1522 CA GLN A 96 -6.015 -1.198 -0.311 1.00 0.30 C ATOM 1523 C GLN A 96 -4.880 -0.383 -0.908 1.00 0.31 C ATOM 1524 O GLN A 96 -3.736 -0.832 -0.954 1.00 0.35 O ATOM 1525 CB GLN A 96 -6.841 -1.852 -1.414 1.00 0.29 C ATOM 1526 CG GLN A 96 -7.711 -2.992 -0.916 1.00 0.33 C ATOM 1527 CD GLN A 96 -6.911 -4.077 -0.220 1.00 0.57 C ATOM 1528 OE1 GLN A 96 -5.741 -4.300 -0.530 1.00 1.01 O ATOM 1529 NE2 GLN A 96 -7.542 -4.763 0.728 1.00 1.11 N ATOM 0 H GLN A 96 -7.752 -0.103 0.111 1.00 0.30 H new ATOM 0 HA GLN A 96 -5.596 -1.990 0.310 1.00 0.30 H new ATOM 0 HB2 GLN A 96 -7.475 -1.097 -1.880 1.00 0.29 H new ATOM 0 HB3 GLN A 96 -6.170 -2.227 -2.187 1.00 0.29 H new ATOM 0 HG2 GLN A 96 -8.459 -2.599 -0.227 1.00 0.33 H new ATOM 0 HG3 GLN A 96 -8.250 -3.427 -1.758 1.00 0.33 H new ATOM 0 HE21 GLN A 96 -8.513 -4.546 0.954 1.00 1.11 H new ATOM 0 HE22 GLN A 96 -7.055 -5.506 1.229 1.00 1.11 H new ATOM 1538 N TYR A 97 -5.201 0.834 -1.335 1.00 0.30 N ATOM 1539 CA TYR A 97 -4.205 1.716 -1.920 1.00 0.32 C ATOM 1540 C TYR A 97 -3.115 2.010 -0.905 1.00 0.36 C ATOM 1541 O TYR A 97 -1.930 1.975 -1.231 1.00 0.41 O ATOM 1542 CB TYR A 97 -4.849 3.021 -2.392 1.00 0.33 C ATOM 1543 CG TYR A 97 -3.863 4.152 -2.586 1.00 0.32 C ATOM 1544 CD1 TYR A 97 -3.543 5.009 -1.538 1.00 0.33 C ATOM 1545 CD2 TYR A 97 -3.244 4.357 -3.811 1.00 0.37 C ATOM 1546 CE1 TYR A 97 -2.637 6.035 -1.708 1.00 0.36 C ATOM 1547 CE2 TYR A 97 -2.336 5.382 -3.988 1.00 0.38 C ATOM 1548 CZ TYR A 97 -2.035 6.217 -2.933 1.00 0.36 C ATOM 1549 OH TYR A 97 -1.130 7.237 -3.105 1.00 0.41 O ATOM 0 H TYR A 97 -6.140 1.228 -1.286 1.00 0.30 H new ATOM 0 HA TYR A 97 -3.765 1.218 -2.784 1.00 0.32 H new ATOM 0 HB2 TYR A 97 -5.369 2.839 -3.332 1.00 0.33 H new ATOM 0 HB3 TYR A 97 -5.601 3.328 -1.666 1.00 0.33 H new ATOM 0 HD1 TYR A 97 -4.012 4.869 -0.575 1.00 0.33 H new ATOM 0 HD2 TYR A 97 -3.476 3.704 -4.639 1.00 0.37 H new ATOM 0 HE1 TYR A 97 -2.401 6.692 -0.884 1.00 0.36 H new ATOM 0 HE2 TYR A 97 -1.864 5.529 -4.948 1.00 0.38 H new ATOM 0 HH TYR A 97 -0.219 6.879 -3.049 1.00 0.41 H new ATOM 1559 N ILE A 98 -3.520 2.310 0.327 1.00 0.37 N ATOM 1560 CA ILE A 98 -2.556 2.596 1.374 1.00 0.42 C ATOM 1561 C ILE A 98 -1.770 1.336 1.712 1.00 0.41 C ATOM 1562 O ILE A 98 -0.548 1.360 1.777 1.00 0.41 O ATOM 1563 CB ILE A 98 -3.229 3.170 2.641 1.00 0.44 C ATOM 1564 CG1 ILE A 98 -4.286 2.211 3.184 1.00 0.41 C ATOM 1565 CG2 ILE A 98 -3.841 4.530 2.335 1.00 0.47 C ATOM 1566 CD1 ILE A 98 -5.018 2.738 4.402 1.00 0.44 C ATOM 0 H ILE A 98 -4.497 2.360 0.617 1.00 0.37 H new ATOM 0 HA ILE A 98 -1.874 3.359 0.999 1.00 0.42 H new ATOM 0 HB ILE A 98 -2.467 3.293 3.411 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -5.011 2.001 2.398 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -3.809 1.265 3.439 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -4.313 4.927 3.234 1.00 0.47 H new ATOM 0 HG22 ILE A 98 -3.060 5.214 2.003 1.00 0.47 H new ATOM 0 HG23 ILE A 98 -4.589 4.424 1.549 1.00 0.47 H new ATOM 0 HD11 ILE A 98 -5.753 2.003 4.731 1.00 0.44 H new ATOM 0 HD12 ILE A 98 -4.304 2.922 5.205 1.00 0.44 H new ATOM 0 HD13 ILE A 98 -5.525 3.669 4.147 1.00 0.44 H new ATOM 1578 N GLN A 99 -2.470 0.224 1.889 1.00 0.44 N ATOM 1579 CA GLN A 99 -1.814 -1.041 2.197 1.00 0.45 C ATOM 1580 C GLN A 99 -0.917 -1.471 1.043 1.00 0.47 C ATOM 1581 O GLN A 99 -0.033 -2.311 1.212 1.00 0.52 O ATOM 1582 CB GLN A 99 -2.849 -2.135 2.480 1.00 0.42 C ATOM 1583 CG GLN A 99 -3.530 -1.992 3.833 1.00 0.43 C ATOM 1584 CD GLN A 99 -4.433 -3.164 4.165 1.00 1.26 C ATOM 1585 OE1 GLN A 99 -5.450 -3.006 4.841 1.00 2.14 O ATOM 1586 NE2 GLN A 99 -4.063 -4.352 3.698 1.00 1.84 N ATOM 0 H GLN A 99 -3.487 0.171 1.825 1.00 0.44 H new ATOM 0 HA GLN A 99 -1.204 -0.895 3.088 1.00 0.45 H new ATOM 0 HB2 GLN A 99 -3.607 -2.118 1.697 1.00 0.42 H new ATOM 0 HB3 GLN A 99 -2.360 -3.108 2.429 1.00 0.42 H new ATOM 0 HG2 GLN A 99 -2.770 -1.894 4.608 1.00 0.43 H new ATOM 0 HG3 GLN A 99 -4.116 -1.073 3.844 1.00 0.43 H new ATOM 0 HE21 GLN A 99 -3.213 -4.439 3.142 1.00 1.84 H new ATOM 0 HE22 GLN A 99 -4.629 -5.177 3.896 1.00 1.84 H new ATOM 1595 N CYS A 100 -1.153 -0.891 -0.131 1.00 0.45 N ATOM 1596 CA CYS A 100 -0.385 -1.239 -1.320 1.00 0.49 C ATOM 1597 C CYS A 100 0.693 -0.209 -1.675 1.00 0.60 C ATOM 1598 O CYS A 100 1.648 -0.540 -2.379 1.00 0.72 O ATOM 1599 CB CYS A 100 -1.332 -1.390 -2.504 1.00 0.43 C ATOM 1600 SG CYS A 100 -0.740 -2.512 -3.792 1.00 0.55 S ATOM 0 H CYS A 100 -1.868 -0.180 -0.283 1.00 0.45 H new ATOM 0 HA CYS A 100 0.128 -2.175 -1.098 1.00 0.49 H new ATOM 0 HB2 CYS A 100 -2.295 -1.749 -2.141 1.00 0.43 H new ATOM 0 HB3 CYS A 100 -1.503 -0.408 -2.945 1.00 0.43 H new ATOM 0 HG CYS A 100 -1.616 -2.573 -4.751 1.00 0.55 H new ATOM 1606 N LEU A 101 0.558 1.031 -1.200 1.00 0.63 N ATOM 1607 CA LEU A 101 1.533 2.067 -1.553 1.00 0.81 C ATOM 1608 C LEU A 101 2.121 2.808 -0.351 1.00 0.75 C ATOM 1609 O LEU A 101 2.943 3.707 -0.528 1.00 0.85 O ATOM 1610 CB LEU A 101 0.900 3.080 -2.512 1.00 1.26 C ATOM 1611 CG LEU A 101 0.791 2.619 -3.967 1.00 0.67 C ATOM 1612 CD1 LEU A 101 -0.412 1.712 -4.153 1.00 1.58 C ATOM 1613 CD2 LEU A 101 0.708 3.814 -4.905 1.00 1.42 C ATOM 0 H LEU A 101 -0.196 1.338 -0.586 1.00 0.63 H new ATOM 0 HA LEU A 101 2.361 1.543 -2.031 1.00 0.81 H new ATOM 0 HB2 LEU A 101 -0.098 3.325 -2.149 1.00 1.26 H new ATOM 0 HB3 LEU A 101 1.485 3.999 -2.482 1.00 1.26 H new ATOM 0 HG LEU A 101 1.689 2.052 -4.212 1.00 0.67 H new ATOM 0 HD11 LEU A 101 -0.471 1.395 -5.194 1.00 1.58 H new ATOM 0 HD12 LEU A 101 -0.310 0.836 -3.513 1.00 1.58 H new ATOM 0 HD13 LEU A 101 -1.320 2.253 -3.886 1.00 1.58 H new ATOM 0 HD21 LEU A 101 0.631 3.464 -5.934 1.00 1.42 H new ATOM 0 HD22 LEU A 101 -0.170 4.410 -4.658 1.00 1.42 H new ATOM 0 HD23 LEU A 101 1.604 4.425 -4.796 1.00 1.42 H new ATOM 1625 N TYR A 102 1.718 2.461 0.862 1.00 0.74 N ATOM 1626 CA TYR A 102 2.259 3.143 2.033 1.00 0.90 C ATOM 1627 C TYR A 102 3.730 2.800 2.212 1.00 0.96 C ATOM 1628 O TYR A 102 4.569 3.691 2.357 1.00 1.13 O ATOM 1629 CB TYR A 102 1.468 2.804 3.299 1.00 0.98 C ATOM 1630 CG TYR A 102 1.051 4.022 4.089 1.00 1.21 C ATOM 1631 CD1 TYR A 102 1.881 4.561 5.064 1.00 1.75 C ATOM 1632 CD2 TYR A 102 -0.175 4.636 3.857 1.00 0.96 C ATOM 1633 CE1 TYR A 102 1.501 5.677 5.786 1.00 1.99 C ATOM 1634 CE2 TYR A 102 -0.560 5.752 4.575 1.00 1.21 C ATOM 1635 CZ TYR A 102 0.280 6.268 5.538 1.00 1.70 C ATOM 1636 OH TYR A 102 -0.100 7.379 6.253 1.00 1.96 O ATOM 0 H TYR A 102 1.035 1.730 1.062 1.00 0.74 H new ATOM 0 HA TYR A 102 2.166 4.216 1.866 1.00 0.90 H new ATOM 0 HB2 TYR A 102 0.579 2.237 3.022 1.00 0.98 H new ATOM 0 HB3 TYR A 102 2.073 2.157 3.934 1.00 0.98 H new ATOM 0 HD1 TYR A 102 2.838 4.101 5.261 1.00 1.75 H new ATOM 0 HD2 TYR A 102 -0.837 4.234 3.104 1.00 0.96 H new ATOM 0 HE1 TYR A 102 2.157 6.084 6.541 1.00 1.99 H new ATOM 0 HE2 TYR A 102 -1.515 6.218 4.382 1.00 1.21 H new ATOM 0 HH TYR A 102 -0.986 7.672 5.955 1.00 1.96 H new ATOM 1646 N ALA A 103 4.042 1.512 2.204 1.00 0.96 N ATOM 1647 CA ALA A 103 5.421 1.074 2.336 1.00 1.15 C ATOM 1648 C ALA A 103 6.158 1.306 1.027 1.00 1.04 C ATOM 1649 O ALA A 103 7.357 1.583 1.014 1.00 1.16 O ATOM 1650 CB ALA A 103 5.491 -0.388 2.735 1.00 1.39 C ATOM 0 H ALA A 103 3.363 0.757 2.108 1.00 0.96 H new ATOM 0 HA ALA A 103 5.899 1.657 3.124 1.00 1.15 H new ATOM 0 HB1 ALA A 103 6.534 -0.691 2.827 1.00 1.39 H new ATOM 0 HB2 ALA A 103 4.987 -0.529 3.691 1.00 1.39 H new ATOM 0 HB3 ALA A 103 5.003 -0.997 1.974 1.00 1.39 H new ATOM 1656 N PHE A 104 5.425 1.186 -0.078 1.00 0.87 N ATOM 1657 CA PHE A 104 5.995 1.397 -1.398 1.00 0.87 C ATOM 1658 C PHE A 104 6.516 2.818 -1.527 1.00 0.85 C ATOM 1659 O PHE A 104 7.464 3.064 -2.257 1.00 0.93 O ATOM 1660 CB PHE A 104 4.962 1.105 -2.500 1.00 0.96 C ATOM 1661 CG PHE A 104 4.883 2.157 -3.576 1.00 1.89 C ATOM 1662 CD1 PHE A 104 4.143 3.310 -3.381 1.00 2.80 C ATOM 1663 CD2 PHE A 104 5.545 1.989 -4.783 1.00 2.36 C ATOM 1664 CE1 PHE A 104 4.064 4.274 -4.367 1.00 4.03 C ATOM 1665 CE2 PHE A 104 5.470 2.949 -5.771 1.00 3.48 C ATOM 1666 CZ PHE A 104 4.746 4.101 -5.556 1.00 4.31 C ATOM 0 H PHE A 104 4.434 0.943 -0.081 1.00 0.87 H new ATOM 0 HA PHE A 104 6.827 0.704 -1.522 1.00 0.87 H new ATOM 0 HB2 PHE A 104 5.203 0.148 -2.962 1.00 0.96 H new ATOM 0 HB3 PHE A 104 3.979 0.999 -2.041 1.00 0.96 H new ATOM 0 HD1 PHE A 104 3.621 3.458 -2.447 1.00 2.80 H new ATOM 0 HD2 PHE A 104 6.127 1.095 -4.952 1.00 2.36 H new ATOM 0 HE1 PHE A 104 3.470 5.162 -4.209 1.00 4.03 H new ATOM 0 HE2 PHE A 104 5.978 2.797 -6.712 1.00 3.48 H new ATOM 0 HZ PHE A 104 4.712 4.868 -6.316 1.00 4.31 H new ATOM 1676 N GLU A 105 5.881 3.759 -0.836 1.00 0.90 N ATOM 1677 CA GLU A 105 6.314 5.146 -0.909 1.00 1.14 C ATOM 1678 C GLU A 105 7.719 5.300 -0.345 1.00 1.25 C ATOM 1679 O GLU A 105 8.561 5.976 -0.932 1.00 1.40 O ATOM 1680 CB GLU A 105 5.333 6.053 -0.160 1.00 1.31 C ATOM 1681 CG GLU A 105 5.529 7.539 -0.432 1.00 1.56 C ATOM 1682 CD GLU A 105 6.764 8.105 0.243 1.00 2.56 C ATOM 1683 OE1 GLU A 105 6.767 8.205 1.488 1.00 3.26 O ATOM 1684 OE2 GLU A 105 7.725 8.452 -0.474 1.00 2.95 O ATOM 0 H GLU A 105 5.079 3.590 -0.229 1.00 0.90 H new ATOM 0 HA GLU A 105 6.331 5.445 -1.957 1.00 1.14 H new ATOM 0 HB2 GLU A 105 4.315 5.775 -0.435 1.00 1.31 H new ATOM 0 HB3 GLU A 105 5.434 5.874 0.910 1.00 1.31 H new ATOM 0 HG2 GLU A 105 5.603 7.700 -1.508 1.00 1.56 H new ATOM 0 HG3 GLU A 105 4.651 8.085 -0.088 1.00 1.56 H new ATOM 1691 N CYS A 106 7.969 4.660 0.789 1.00 1.26 N ATOM 1692 CA CYS A 106 9.275 4.727 1.431 1.00 1.44 C ATOM 1693 C CYS A 106 10.304 3.907 0.662 1.00 1.36 C ATOM 1694 O CYS A 106 11.482 4.251 0.611 1.00 1.50 O ATOM 1695 CB CYS A 106 9.180 4.207 2.867 1.00 1.58 C ATOM 1696 SG CYS A 106 10.452 4.856 3.976 1.00 1.89 S ATOM 0 H CYS A 106 7.284 4.088 1.284 1.00 1.26 H new ATOM 0 HA CYS A 106 9.595 5.769 1.439 1.00 1.44 H new ATOM 0 HB2 CYS A 106 8.199 4.461 3.269 1.00 1.58 H new ATOM 0 HB3 CYS A 106 9.247 3.119 2.853 1.00 1.58 H new ATOM 0 HG CYS A 106 10.285 4.359 5.166 1.00 1.89 H new ATOM 1702 N LYS A 107 9.852 2.801 0.098 1.00 1.19 N ATOM 1703 CA LYS A 107 10.722 1.916 -0.661 1.00 1.19 C ATOM 1704 C LYS A 107 11.015 2.452 -2.066 1.00 1.18 C ATOM 1705 O LYS A 107 12.107 2.251 -2.596 1.00 1.25 O ATOM 1706 CB LYS A 107 10.082 0.537 -0.755 1.00 1.17 C ATOM 1707 CG LYS A 107 10.931 -0.470 -1.502 1.00 1.31 C ATOM 1708 CD LYS A 107 10.088 -1.610 -2.040 1.00 1.24 C ATOM 1709 CE LYS A 107 10.544 -2.027 -3.427 1.00 2.00 C ATOM 1710 NZ LYS A 107 11.999 -2.341 -3.463 1.00 2.84 N ATOM 0 H LYS A 107 8.881 2.492 0.151 1.00 1.19 H new ATOM 0 HA LYS A 107 11.675 1.855 -0.135 1.00 1.19 H new ATOM 0 HB2 LYS A 107 9.890 0.164 0.251 1.00 1.17 H new ATOM 0 HB3 LYS A 107 9.116 0.626 -1.252 1.00 1.17 H new ATOM 0 HG2 LYS A 107 11.446 0.025 -2.326 1.00 1.31 H new ATOM 0 HG3 LYS A 107 11.699 -0.865 -0.838 1.00 1.31 H new ATOM 0 HD2 LYS A 107 10.150 -2.462 -1.363 1.00 1.24 H new ATOM 0 HD3 LYS A 107 9.042 -1.306 -2.075 1.00 1.24 H new ATOM 0 HE2 LYS A 107 9.976 -2.900 -3.748 1.00 2.00 H new ATOM 0 HE3 LYS A 107 10.328 -1.228 -4.136 1.00 2.00 H new ATOM 0 HZ1 LYS A 107 12.207 -2.929 -4.295 1.00 2.84 H new ATOM 0 HZ2 LYS A 107 12.544 -1.457 -3.519 1.00 2.84 H new ATOM 0 HZ3 LYS A 107 12.264 -2.857 -2.600 1.00 2.84 H new ATOM 1724 N ILE A 108 10.040 3.134 -2.662 1.00 1.14 N ATOM 1725 CA ILE A 108 10.192 3.666 -4.014 1.00 1.20 C ATOM 1726 C ILE A 108 10.793 5.072 -3.999 1.00 1.36 C ATOM 1727 O ILE A 108 11.314 5.540 -5.012 1.00 1.39 O ATOM 1728 CB ILE A 108 8.846 3.647 -4.789 1.00 1.14 C ATOM 1729 CG1 ILE A 108 9.019 2.959 -6.145 1.00 1.21 C ATOM 1730 CG2 ILE A 108 8.277 5.043 -4.985 1.00 1.42 C ATOM 1731 CD1 ILE A 108 8.697 1.482 -6.120 1.00 1.07 C ATOM 0 H ILE A 108 9.137 3.331 -2.231 1.00 1.14 H new ATOM 0 HA ILE A 108 10.888 3.012 -4.540 1.00 1.20 H new ATOM 0 HB ILE A 108 8.136 3.083 -4.184 1.00 1.14 H new ATOM 0 HG12 ILE A 108 8.377 3.450 -6.877 1.00 1.21 H new ATOM 0 HG13 ILE A 108 10.047 3.093 -6.482 1.00 1.21 H new ATOM 0 HG21 ILE A 108 7.336 4.979 -5.532 1.00 1.42 H new ATOM 0 HG22 ILE A 108 8.101 5.504 -4.013 1.00 1.42 H new ATOM 0 HG23 ILE A 108 8.985 5.648 -5.551 1.00 1.42 H new ATOM 0 HD11 ILE A 108 8.842 1.061 -7.115 1.00 1.07 H new ATOM 0 HD12 ILE A 108 9.356 0.978 -5.413 1.00 1.07 H new ATOM 0 HD13 ILE A 108 7.661 1.341 -5.814 1.00 1.07 H new