USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 180:sc= 0.219 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -150:sc= 0.85 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 172:sc= 0.746 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.0228 (180deg=-0.0257) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.43 (180deg=2.29) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 11 LYS NZ :NH3+ -109:sc= 1.21 (180deg=-0.61) USER MOD Single : A 14 THR OG1 : rot -47:sc= 0.194 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0877 X(o=-0.088,f=-0.0041) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 2.46 (180deg=2.35) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.7!) USER MOD Single : A 41 GLN : amide:sc= 1.51 K(o=1.5,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 55 THR OG1 : rot -40:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.767 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 62 GLN : amide:sc= 1.02 K(o=1,f=-0.0015) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 80:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.466 -6.695 -4.968 1.00 9.67 N ATOM 2 CA MET A 1 11.565 -6.678 -3.477 1.00 10.38 C ATOM 3 C MET A 1 10.195 -7.017 -2.850 1.00 9.62 C ATOM 4 O MET A 1 9.146 -6.509 -3.284 1.00 9.62 O ATOM 5 CB MET A 1 12.056 -5.289 -2.997 1.00 13.77 C ATOM 6 CG MET A 1 12.091 -5.018 -1.499 1.00 16.29 C ATOM 7 SD MET A 1 13.165 -3.714 -0.945 1.00 17.17 S ATOM 8 CE MET A 1 11.770 -2.625 -0.534 1.00 16.11 C ATOM 0 H1 MET A 1 12.409 -6.856 -5.377 1.00 9.67 H new ATOM 0 H2 MET A 1 10.825 -7.458 -5.265 1.00 9.67 H new ATOM 0 H3 MET A 1 11.096 -5.782 -5.302 1.00 9.67 H new ATOM 0 HA MET A 1 12.285 -7.431 -3.158 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.063 -5.139 -3.386 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.420 -4.533 -3.458 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.078 -4.785 -1.172 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.385 -5.938 -0.994 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.149 -1.674 -0.159 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.170 -2.449 -1.427 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.153 -3.097 0.231 1.00 16.11 H new ATOM 20 N GLN A 2 10.199 -7.953 -1.837 1.00 9.27 N ATOM 21 CA GLN A 2 9.028 -8.462 -1.200 1.00 9.07 C ATOM 22 C GLN A 2 8.519 -7.507 -0.106 1.00 8.72 C ATOM 23 O GLN A 2 9.268 -6.964 0.658 1.00 8.22 O ATOM 24 CB GLN A 2 9.426 -9.825 -0.622 1.00 14.46 C ATOM 25 CG GLN A 2 8.351 -10.453 0.256 1.00 17.01 C ATOM 26 CD GLN A 2 8.509 -11.949 0.464 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.073 -12.407 1.472 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.739 -12.715 -0.300 1.00 19.49 N ATOM 0 H GLN A 2 11.061 -8.354 -1.466 1.00 9.27 H new ATOM 0 HA GLN A 2 8.203 -8.559 -1.906 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.656 -10.505 -1.442 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.339 -9.710 -0.038 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.359 -9.960 1.228 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.376 -10.261 -0.191 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.284 -12.321 -1.124 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.602 -13.698 -0.063 1.00 19.49 H new ATOM 37 N ILE A 3 7.197 -7.179 -0.103 1.00 5.87 N ATOM 38 CA ILE A 3 6.516 -6.475 0.950 1.00 5.07 C ATOM 39 C ILE A 3 5.220 -7.225 1.107 1.00 4.01 C ATOM 40 O ILE A 3 4.751 -7.954 0.244 1.00 4.61 O ATOM 41 CB ILE A 3 6.233 -5.006 0.783 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.873 -4.548 -0.670 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.498 -4.256 1.284 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.132 -3.192 -0.684 1.00 10.83 C ATOM 0 H ILE A 3 6.578 -7.420 -0.877 1.00 5.87 H new ATOM 0 HA ILE A 3 7.186 -6.461 1.810 1.00 5.07 H new ATOM 0 HB ILE A 3 5.336 -4.773 1.357 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.785 -4.468 -1.261 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.250 -5.306 -1.145 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.347 -3.181 1.185 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.676 -4.502 2.331 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.360 -4.558 0.688 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.902 -2.914 -1.712 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.206 -3.278 -0.116 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.765 -2.427 -0.234 1.00 10.83 H new ATOM 56 N PHE A 4 4.655 -7.053 2.309 1.00 4.55 N ATOM 57 CA PHE A 4 3.474 -7.747 2.745 1.00 4.68 C ATOM 58 C PHE A 4 2.518 -6.635 3.139 1.00 5.30 C ATOM 59 O PHE A 4 2.897 -5.586 3.581 1.00 5.58 O ATOM 60 CB PHE A 4 3.703 -8.657 4.001 1.00 4.83 C ATOM 61 CG PHE A 4 4.531 -9.858 3.653 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.948 -11.020 3.224 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.888 -9.777 3.795 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.761 -12.105 2.877 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.690 -10.904 3.593 1.00 10.61 C ATOM 66 CZ PHE A 4 6.147 -12.100 3.067 1.00 8.90 C ATOM 0 H PHE A 4 5.027 -6.410 3.008 1.00 4.55 H new ATOM 0 HA PHE A 4 3.121 -8.409 1.955 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.199 -8.084 4.784 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.741 -8.978 4.402 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.873 -11.098 3.154 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.344 -8.836 4.065 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.300 -12.981 2.445 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.740 -10.861 3.842 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.763 -12.954 2.828 1.00 8.90 H new ATOM 76 N VAL A 5 1.189 -6.867 3.006 1.00 4.44 N ATOM 77 CA VAL A 5 0.161 -5.924 3.363 1.00 3.87 C ATOM 78 C VAL A 5 -0.904 -6.634 4.232 1.00 4.93 C ATOM 79 O VAL A 5 -1.245 -7.794 3.948 1.00 6.84 O ATOM 80 CB VAL A 5 -0.566 -5.317 2.101 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.449 -4.128 2.569 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.468 -4.840 1.063 1.00 9.13 C ATOM 0 H VAL A 5 0.819 -7.743 2.637 1.00 4.44 H new ATOM 0 HA VAL A 5 0.646 -5.112 3.904 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.187 -6.078 1.630 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.961 -3.694 1.710 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.186 -4.484 3.289 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.821 -3.370 3.037 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.049 -4.424 0.199 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.104 -4.075 1.508 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.082 -5.683 0.747 1.00 9.13 H new ATOM 92 N LYS A 6 -1.380 -5.932 5.270 1.00 6.04 N ATOM 93 CA LYS A 6 -2.476 -6.423 6.163 1.00 6.12 C ATOM 94 C LYS A 6 -3.758 -5.599 5.932 1.00 6.57 C ATOM 95 O LYS A 6 -3.573 -4.480 5.401 1.00 5.76 O ATOM 96 CB LYS A 6 -2.107 -6.299 7.639 1.00 7.45 C ATOM 97 CG LYS A 6 -0.808 -7.054 7.954 1.00 11.12 C ATOM 98 CD LYS A 6 -0.761 -8.593 7.992 1.00 14.54 C ATOM 99 CE LYS A 6 -1.004 -9.151 9.365 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.872 -10.557 9.326 1.00 20.55 N ATOM 0 H LYS A 6 -1.028 -5.010 5.526 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.634 -7.473 5.918 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.991 -5.247 7.900 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.917 -6.693 8.253 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.069 -6.732 7.220 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.465 -6.702 8.927 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.508 -8.991 7.306 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.212 -8.931 7.635 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.293 -8.727 10.074 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.001 -8.877 9.711 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.490 -10.984 10.045 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.144 -10.905 8.385 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.116 -10.818 9.520 1.00 20.55 H new ATOM 114 N THR A 7 -4.997 -6.118 6.194 1.00 7.41 N ATOM 115 CA THR A 7 -6.211 -5.498 5.776 1.00 7.48 C ATOM 116 C THR A 7 -7.203 -5.488 6.941 1.00 8.75 C ATOM 117 O THR A 7 -6.965 -6.010 8.002 1.00 8.58 O ATOM 118 CB THR A 7 -6.816 -6.006 4.531 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.315 -7.324 4.677 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.792 -5.981 3.362 1.00 9.17 C ATOM 0 H THR A 7 -5.139 -6.987 6.708 1.00 7.41 H new ATOM 0 HA THR A 7 -5.938 -4.480 5.499 1.00 7.48 H new ATOM 0 HB THR A 7 -7.651 -5.343 4.304 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.708 -7.621 3.830 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.265 -6.361 2.456 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.456 -4.958 3.194 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.936 -6.607 3.615 1.00 9.17 H new ATOM 128 N LEU A 8 -8.254 -4.665 6.708 1.00 9.84 N ATOM 129 CA LEU A 8 -9.368 -4.543 7.619 1.00 14.15 C ATOM 130 C LEU A 8 -10.125 -5.837 7.875 1.00 17.37 C ATOM 131 O LEU A 8 -10.491 -6.237 8.991 1.00 17.01 O ATOM 132 CB LEU A 8 -10.371 -3.478 7.098 1.00 16.63 C ATOM 133 CG LEU A 8 -9.782 -2.104 6.882 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.789 -1.075 6.329 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.149 -1.608 8.144 1.00 18.59 C ATOM 0 H LEU A 8 -8.333 -4.077 5.878 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.925 -4.246 8.569 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.794 -3.828 6.157 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.194 -3.397 7.808 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.020 -2.213 6.110 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.293 -0.113 6.200 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.169 -1.419 5.367 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.618 -0.965 7.028 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.728 -0.617 7.975 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.901 -1.554 8.931 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.356 -2.292 8.446 1.00 18.59 H new ATOM 147 N THR A 9 -10.291 -6.658 6.805 1.00 18.33 N ATOM 148 CA THR A 9 -10.878 -8.021 6.725 1.00 19.24 C ATOM 149 C THR A 9 -9.870 -9.097 7.084 1.00 19.48 C ATOM 150 O THR A 9 -10.219 -10.227 7.279 1.00 23.14 O ATOM 151 CB THR A 9 -11.545 -8.403 5.382 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.758 -8.109 4.228 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.877 -7.543 5.283 1.00 19.70 C ATOM 0 H THR A 9 -9.985 -6.349 5.882 1.00 18.33 H new ATOM 0 HA THR A 9 -11.680 -7.971 7.462 1.00 19.24 H new ATOM 0 HB THR A 9 -11.701 -9.482 5.385 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.245 -8.380 3.422 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.391 -7.774 4.350 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.528 -7.782 6.124 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.628 -6.482 5.307 1.00 19.70 H new ATOM 161 N GLY A 10 -8.562 -8.733 7.266 1.00 19.43 N ATOM 162 CA GLY A 10 -7.508 -9.323 8.021 1.00 18.74 C ATOM 163 C GLY A 10 -6.765 -10.334 7.212 1.00 17.62 C ATOM 164 O GLY A 10 -6.248 -11.362 7.728 1.00 19.74 O ATOM 0 H GLY A 10 -8.219 -7.893 6.801 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.821 -8.547 8.359 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.917 -9.797 8.913 1.00 18.74 H new ATOM 168 N LYS A 11 -6.661 -10.110 5.892 1.00 13.56 N ATOM 169 CA LYS A 11 -5.910 -10.954 4.983 1.00 11.91 C ATOM 170 C LYS A 11 -4.421 -10.495 4.990 1.00 10.18 C ATOM 171 O LYS A 11 -4.175 -9.295 5.205 1.00 9.10 O ATOM 172 CB LYS A 11 -6.499 -10.901 3.547 1.00 13.43 C ATOM 173 CG LYS A 11 -6.038 -11.895 2.449 1.00 16.69 C ATOM 174 CD LYS A 11 -6.976 -11.787 1.237 1.00 17.92 C ATOM 175 CE LYS A 11 -8.264 -12.621 1.422 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.042 -12.575 0.143 1.00 21.93 N ATOM 0 H LYS A 11 -7.110 -9.319 5.430 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.976 -11.990 5.316 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.579 -11.012 3.642 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.314 -9.897 3.165 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.013 -11.675 2.150 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.045 -12.913 2.838 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.241 -10.742 1.077 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.452 -12.124 0.343 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.016 -13.651 1.679 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.860 -12.223 2.243 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.894 -11.993 0.276 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.453 -12.160 -0.607 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.320 -13.539 -0.129 1.00 21.93 H new ATOM 190 N THR A 12 -3.478 -11.436 4.679 1.00 9.63 N ATOM 191 CA THR A 12 -2.118 -10.982 4.428 1.00 9.85 C ATOM 192 C THR A 12 -1.829 -11.224 3.002 1.00 11.66 C ATOM 193 O THR A 12 -2.184 -12.312 2.481 1.00 12.33 O ATOM 194 CB THR A 12 -0.956 -11.663 5.276 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.261 -11.683 6.666 1.00 10.91 O ATOM 196 CG2 THR A 12 0.369 -10.904 5.144 1.00 9.63 C ATOM 0 H THR A 12 -3.638 -12.441 4.605 1.00 9.63 H new ATOM 0 HA THR A 12 -2.108 -9.935 4.731 1.00 9.85 H new ATOM 0 HB THR A 12 -0.867 -12.674 4.878 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.592 -12.220 7.140 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.135 -11.403 5.738 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.676 -10.887 4.098 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.240 -9.882 5.501 1.00 9.63 H new ATOM 204 N ILE A 13 -1.331 -10.194 2.305 1.00 10.42 N ATOM 205 CA ILE A 13 -1.150 -10.231 0.903 1.00 11.84 C ATOM 206 C ILE A 13 0.333 -10.099 0.598 1.00 10.55 C ATOM 207 O ILE A 13 1.001 -9.151 1.040 1.00 11.92 O ATOM 208 CB ILE A 13 -1.914 -9.016 0.271 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.490 -9.172 0.497 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.720 -9.100 -1.290 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.473 -8.044 0.002 1.00 16.46 C ATOM 0 H ILE A 13 -1.048 -9.313 2.734 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.530 -11.167 0.494 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.541 -8.094 0.716 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.796 -10.102 0.017 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.653 -9.297 1.567 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.239 -8.268 -1.766 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.658 -9.049 -1.528 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.129 -10.041 -1.657 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.499 -8.324 0.242 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.228 -7.105 0.498 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.373 -7.922 -1.077 1.00 16.46 H new ATOM 223 N THR A 14 0.918 -11.043 -0.179 1.00 9.39 N ATOM 224 CA THR A 14 2.314 -11.013 -0.515 1.00 9.63 C ATOM 225 C THR A 14 2.481 -10.269 -1.826 1.00 11.20 C ATOM 226 O THR A 14 1.857 -10.626 -2.833 1.00 11.63 O ATOM 227 CB THR A 14 2.991 -12.408 -0.753 1.00 10.38 C ATOM 228 OG1 THR A 14 2.921 -13.165 0.448 1.00 16.30 O ATOM 229 CG2 THR A 14 4.489 -12.291 -0.982 1.00 11.66 C ATOM 0 H THR A 14 0.413 -11.835 -0.577 1.00 9.39 H new ATOM 0 HA THR A 14 2.790 -10.549 0.349 1.00 9.63 H new ATOM 0 HB THR A 14 2.480 -12.847 -1.610 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.210 -12.610 1.202 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.911 -13.283 -1.142 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.676 -11.672 -1.859 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.956 -11.834 -0.109 1.00 11.66 H new ATOM 237 N LEU A 15 3.340 -9.295 -1.998 1.00 8.29 N ATOM 238 CA LEU A 15 3.544 -8.576 -3.209 1.00 9.03 C ATOM 239 C LEU A 15 4.982 -8.563 -3.600 1.00 8.59 C ATOM 240 O LEU A 15 5.885 -8.731 -2.810 1.00 7.79 O ATOM 241 CB LEU A 15 3.104 -7.083 -3.131 1.00 11.08 C ATOM 242 CG LEU A 15 1.716 -6.846 -2.579 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.547 -5.361 -2.491 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.614 -7.427 -3.481 1.00 15.27 C ATOM 0 H LEU A 15 3.947 -8.972 -1.244 1.00 8.29 H new ATOM 0 HA LEU A 15 2.928 -9.103 -3.938 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.820 -6.542 -2.512 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.158 -6.653 -4.131 1.00 11.08 H new ATOM 0 HG LEU A 15 1.620 -7.341 -1.613 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.557 -5.130 -2.097 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.307 -4.947 -1.829 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.653 -4.923 -3.484 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.362 -7.228 -3.037 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.666 -6.962 -4.465 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.755 -8.503 -3.581 1.00 15.27 H new ATOM 256 N GLU A 16 5.245 -8.319 -4.875 1.00 11.04 N ATOM 257 CA GLU A 16 6.594 -8.107 -5.373 1.00 11.50 C ATOM 258 C GLU A 16 6.569 -6.736 -5.958 1.00 10.13 C ATOM 259 O GLU A 16 5.769 -6.444 -6.840 1.00 9.83 O ATOM 260 CB GLU A 16 7.092 -9.185 -6.361 1.00 17.22 C ATOM 261 CG GLU A 16 8.670 -9.089 -6.691 1.00 23.33 C ATOM 262 CD GLU A 16 9.489 -9.607 -5.520 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.007 -10.440 -4.648 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.706 -9.204 -5.555 1.00 28.86 O ATOM 0 H GLU A 16 4.525 -8.262 -5.596 1.00 11.04 H new ATOM 0 HA GLU A 16 7.322 -8.196 -4.567 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.876 -10.170 -5.948 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.530 -9.099 -7.291 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.897 -9.668 -7.586 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.941 -8.055 -6.904 1.00 23.33 H new ATOM 271 N VAL A 17 7.354 -5.774 -5.439 1.00 8.99 N ATOM 272 CA VAL A 17 7.396 -4.427 -5.953 1.00 8.85 C ATOM 273 C VAL A 17 8.812 -4.047 -6.099 1.00 8.04 C ATOM 274 O VAL A 17 9.705 -4.766 -5.626 1.00 8.99 O ATOM 275 CB VAL A 17 6.884 -3.403 -4.937 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.368 -3.653 -4.501 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.615 -3.457 -3.617 1.00 10.54 C ATOM 0 H VAL A 17 7.975 -5.929 -4.645 1.00 8.99 H new ATOM 0 HA VAL A 17 6.803 -4.420 -6.867 1.00 8.85 H new ATOM 0 HB VAL A 17 7.027 -2.461 -5.466 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.067 -2.893 -3.780 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.723 -3.597 -5.378 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.278 -4.640 -4.047 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.204 -2.706 -2.942 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.496 -4.446 -3.175 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.674 -3.258 -3.779 1.00 10.54 H new ATOM 287 N GLU A 18 9.093 -2.914 -6.690 1.00 7.29 N ATOM 288 CA GLU A 18 10.410 -2.293 -6.662 1.00 7.08 C ATOM 289 C GLU A 18 10.469 -1.298 -5.523 1.00 6.45 C ATOM 290 O GLU A 18 9.419 -0.718 -5.246 1.00 5.28 O ATOM 291 CB GLU A 18 10.839 -1.629 -7.938 1.00 10.28 C ATOM 292 CG GLU A 18 10.890 -2.633 -9.124 1.00 12.65 C ATOM 293 CD GLU A 18 11.605 -3.879 -8.825 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.839 -3.872 -8.488 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.973 -4.981 -8.936 1.00 18.17 O ATOM 0 H GLU A 18 8.404 -2.379 -7.218 1.00 7.29 H new ATOM 0 HA GLU A 18 11.115 -3.112 -6.520 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.149 -0.820 -8.176 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.822 -1.179 -7.801 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.871 -2.875 -9.425 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.367 -2.148 -9.976 1.00 12.65 H new ATOM 302 N PRO A 19 11.621 -0.891 -4.900 1.00 7.24 N ATOM 303 CA PRO A 19 11.730 0.251 -4.003 1.00 7.07 C ATOM 304 C PRO A 19 11.489 1.556 -4.747 1.00 6.65 C ATOM 305 O PRO A 19 11.092 2.523 -4.103 1.00 6.37 O ATOM 306 CB PRO A 19 13.155 0.302 -3.532 1.00 7.61 C ATOM 307 CG PRO A 19 13.591 -1.231 -3.626 1.00 8.16 C ATOM 308 CD PRO A 19 12.773 -1.776 -4.829 1.00 7.49 C ATOM 0 HA PRO A 19 11.003 0.142 -3.199 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.771 0.941 -4.165 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.235 0.687 -2.516 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.663 -1.332 -3.793 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.359 -1.770 -2.707 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.354 -1.750 -5.751 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.472 -2.812 -4.671 1.00 7.49 H new ATOM 316 N SER A 20 11.716 1.590 -6.095 1.00 6.80 N ATOM 317 CA SER A 20 11.448 2.742 -6.940 1.00 6.28 C ATOM 318 C SER A 20 10.103 2.853 -7.607 1.00 8.45 C ATOM 319 O SER A 20 9.877 3.715 -8.458 1.00 7.26 O ATOM 320 CB SER A 20 12.525 2.837 -8.023 1.00 8.57 C ATOM 321 OG SER A 20 12.463 1.696 -8.987 1.00 11.13 O ATOM 0 H SER A 20 12.096 0.795 -6.609 1.00 6.80 H new ATOM 0 HA SER A 20 11.455 3.565 -6.226 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.409 3.775 -8.566 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.508 2.860 -7.553 1.00 8.57 H new ATOM 0 HG SER A 20 13.167 1.799 -9.661 1.00 11.13 H new ATOM 327 N ASP A 21 9.151 1.989 -7.097 1.00 7.50 N ATOM 328 CA ASP A 21 7.795 2.193 -7.460 1.00 7.70 C ATOM 329 C ASP A 21 6.991 3.138 -6.530 1.00 7.08 C ATOM 330 O ASP A 21 7.212 3.294 -5.363 1.00 8.11 O ATOM 331 CB ASP A 21 7.021 0.769 -7.314 1.00 11.00 C ATOM 332 CG ASP A 21 7.321 -0.207 -8.430 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.516 0.218 -9.598 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.314 -1.441 -8.130 1.00 14.36 O ATOM 0 H ASP A 21 9.334 1.204 -6.472 1.00 7.50 H new ATOM 0 HA ASP A 21 7.835 2.626 -8.460 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.295 0.313 -6.362 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.947 0.952 -7.283 1.00 11.00 H new ATOM 339 N THR A 22 6.038 3.897 -7.116 1.00 5.37 N ATOM 340 CA THR A 22 5.142 4.745 -6.313 1.00 6.01 C ATOM 341 C THR A 22 4.052 3.947 -5.563 1.00 8.01 C ATOM 342 O THR A 22 3.764 2.805 -5.849 1.00 8.11 O ATOM 343 CB THR A 22 4.508 5.896 -7.049 1.00 8.92 C ATOM 344 OG1 THR A 22 3.898 5.318 -8.191 1.00 10.22 O ATOM 345 CG2 THR A 22 5.643 6.914 -7.513 1.00 9.65 C ATOM 0 H THR A 22 5.874 3.937 -8.122 1.00 5.37 H new ATOM 0 HA THR A 22 5.828 5.180 -5.586 1.00 6.01 H new ATOM 0 HB THR A 22 3.793 6.438 -6.431 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.461 6.019 -8.719 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.187 7.748 -8.046 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.175 7.289 -6.639 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.344 6.402 -8.172 1.00 9.65 H new ATOM 353 N ILE A 23 3.390 4.679 -4.603 1.00 8.32 N ATOM 354 CA ILE A 23 2.335 4.163 -3.747 1.00 9.92 C ATOM 355 C ILE A 23 1.109 3.866 -4.648 1.00 10.01 C ATOM 356 O ILE A 23 0.515 2.813 -4.433 1.00 8.71 O ATOM 357 CB ILE A 23 2.134 5.103 -2.571 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.399 5.277 -1.733 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.947 4.695 -1.714 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.008 3.992 -1.140 1.00 12.30 C ATOM 0 H ILE A 23 3.602 5.660 -4.423 1.00 8.32 H new ATOM 0 HA ILE A 23 2.574 3.214 -3.267 1.00 9.92 H new ATOM 0 HB ILE A 23 1.907 6.080 -2.998 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.155 5.760 -2.352 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.175 5.959 -0.913 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.840 5.394 -0.885 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.040 4.707 -2.319 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.109 3.690 -1.323 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.900 4.243 -0.567 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.280 3.512 -0.486 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.275 3.310 -1.947 1.00 12.30 H new ATOM 372 N GLU A 24 0.844 4.774 -5.624 1.00 9.54 N ATOM 373 CA GLU A 24 -0.137 4.599 -6.628 1.00 11.81 C ATOM 374 C GLU A 24 -0.051 3.277 -7.400 1.00 11.14 C ATOM 375 O GLU A 24 -0.982 2.505 -7.507 1.00 10.62 O ATOM 376 CB GLU A 24 -0.002 5.838 -7.520 1.00 19.24 C ATOM 377 CG GLU A 24 -0.868 5.745 -8.880 1.00 27.76 C ATOM 378 CD GLU A 24 -0.482 6.987 -9.753 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.004 8.101 -9.473 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.282 6.731 -10.736 1.00 34.80 O ATOM 0 H GLU A 24 1.343 5.660 -5.701 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.129 4.516 -6.183 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.315 6.718 -6.958 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.048 5.980 -7.775 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.653 4.818 -9.412 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.935 5.746 -8.659 1.00 27.76 H new ATOM 387 N ASN A 25 1.202 2.955 -7.791 1.00 9.43 N ATOM 388 CA ASN A 25 1.494 1.641 -8.469 1.00 10.96 C ATOM 389 C ASN A 25 1.246 0.377 -7.669 1.00 9.68 C ATOM 390 O ASN A 25 0.730 -0.645 -8.136 1.00 9.33 O ATOM 391 CB ASN A 25 2.995 1.732 -9.029 1.00 16.78 C ATOM 392 CG ASN A 25 3.233 0.703 -10.120 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.488 0.629 -11.112 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.203 -0.219 -9.983 1.00 24.70 N ATOM 0 H ASN A 25 2.015 3.556 -7.661 1.00 9.43 H new ATOM 0 HA ASN A 25 0.761 1.521 -9.266 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.181 2.732 -9.421 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.701 1.573 -8.214 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.312 -0.953 -10.683 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.830 -0.184 -9.179 1.00 24.70 H new ATOM 401 N VAL A 26 1.556 0.392 -6.360 1.00 6.52 N ATOM 402 CA VAL A 26 1.303 -0.677 -5.400 1.00 5.53 C ATOM 403 C VAL A 26 -0.238 -0.848 -5.170 1.00 4.42 C ATOM 404 O VAL A 26 -0.666 -1.973 -4.981 1.00 3.40 O ATOM 405 CB VAL A 26 2.040 -0.402 -4.062 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.796 -1.490 -3.034 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.585 -0.277 -4.289 1.00 8.12 C ATOM 0 H VAL A 26 2.013 1.196 -5.929 1.00 6.52 H new ATOM 0 HA VAL A 26 1.693 -1.609 -5.808 1.00 5.53 H new ATOM 0 HB VAL A 26 1.636 0.537 -3.683 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.333 -1.251 -2.116 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.729 -1.558 -2.823 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.150 -2.444 -3.423 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.078 -0.084 -3.336 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.967 -1.205 -4.714 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.787 0.546 -4.975 1.00 8.12 H new ATOM 417 N LYS A 27 -0.991 0.230 -5.132 1.00 2.64 N ATOM 418 CA LYS A 27 -2.398 0.147 -4.933 1.00 4.14 C ATOM 419 C LYS A 27 -3.082 -0.504 -6.154 1.00 5.58 C ATOM 420 O LYS A 27 -4.052 -1.266 -6.049 1.00 4.11 O ATOM 421 CB LYS A 27 -2.996 1.433 -4.618 1.00 3.97 C ATOM 422 CG LYS A 27 -2.669 1.843 -3.205 1.00 7.45 C ATOM 423 CD LYS A 27 -3.446 3.072 -2.758 1.00 9.02 C ATOM 424 CE LYS A 27 -3.235 4.379 -3.568 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.185 5.351 -3.031 1.00 15.47 N ATOM 0 H LYS A 27 -0.634 1.180 -5.239 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.561 -0.489 -4.063 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.632 2.189 -5.314 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.077 1.377 -4.744 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.887 1.015 -2.531 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.601 2.045 -3.127 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.508 2.827 -2.782 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.189 3.274 -1.718 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.211 4.739 -3.466 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.410 4.211 -4.631 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.904 6.309 -3.323 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.137 5.143 -3.395 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.191 5.294 -1.993 1.00 15.47 H new ATOM 439 N ALA A 28 -2.578 -0.284 -7.398 1.00 6.61 N ATOM 440 CA ALA A 28 -2.988 -1.115 -8.506 1.00 7.74 C ATOM 441 C ALA A 28 -2.691 -2.589 -8.323 1.00 9.17 C ATOM 442 O ALA A 28 -3.452 -3.455 -8.754 1.00 11.45 O ATOM 443 CB ALA A 28 -2.333 -0.583 -9.774 1.00 7.68 C ATOM 0 H ALA A 28 -1.906 0.447 -7.631 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.074 -1.057 -8.572 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.631 -1.198 -10.623 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.650 0.446 -9.943 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.249 -0.616 -9.665 1.00 7.68 H new ATOM 449 N LYS A 29 -1.548 -3.019 -7.686 1.00 8.96 N ATOM 450 CA LYS A 29 -1.278 -4.444 -7.420 1.00 7.90 C ATOM 451 C LYS A 29 -2.298 -5.072 -6.441 1.00 6.92 C ATOM 452 O LYS A 29 -2.844 -6.178 -6.604 1.00 6.87 O ATOM 453 CB LYS A 29 0.093 -4.643 -6.891 1.00 10.28 C ATOM 454 CG LYS A 29 1.082 -4.143 -7.956 1.00 14.94 C ATOM 455 CD LYS A 29 2.510 -4.344 -7.440 1.00 19.69 C ATOM 456 CE LYS A 29 3.612 -3.586 -8.286 1.00 22.63 C ATOM 457 NZ LYS A 29 3.714 -4.230 -9.639 1.00 24.98 N ATOM 0 H LYS A 29 -0.816 -2.390 -7.357 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.375 -4.950 -8.381 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.226 -4.095 -5.958 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.269 -5.696 -6.670 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.938 -4.688 -8.889 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.904 -3.089 -8.171 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.563 -4.004 -6.406 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.738 -5.410 -7.437 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.350 -2.533 -8.388 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.574 -3.627 -7.775 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.436 -3.739 -10.204 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.981 -5.229 -9.529 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.795 -4.169 -10.123 1.00 24.98 H new ATOM 471 N ILE A 30 -2.597 -4.301 -5.348 1.00 4.57 N ATOM 472 CA ILE A 30 -3.650 -4.722 -4.433 1.00 5.58 C ATOM 473 C ILE A 30 -5.041 -4.794 -5.078 1.00 7.26 C ATOM 474 O ILE A 30 -5.780 -5.746 -4.796 1.00 9.46 O ATOM 475 CB ILE A 30 -3.664 -3.772 -3.191 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.379 -3.924 -2.338 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.917 -3.971 -2.302 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.261 -2.752 -1.269 1.00 2.00 C ATOM 0 H ILE A 30 -2.133 -3.426 -5.106 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.419 -5.743 -4.128 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.700 -2.759 -3.592 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.389 -4.887 -1.827 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.504 -3.917 -2.988 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.875 -3.286 -1.455 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.814 -3.769 -2.887 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.945 -4.998 -1.937 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.351 -2.883 -0.684 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.226 -1.792 -1.784 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.125 -2.777 -0.605 1.00 2.00 H new ATOM 490 N GLN A 31 -5.401 -3.860 -5.951 1.00 7.06 N ATOM 491 CA GLN A 31 -6.644 -3.975 -6.715 1.00 8.67 C ATOM 492 C GLN A 31 -6.693 -5.278 -7.479 1.00 10.90 C ATOM 493 O GLN A 31 -7.726 -5.978 -7.612 1.00 9.63 O ATOM 494 CB GLN A 31 -6.824 -2.770 -7.693 1.00 9.12 C ATOM 495 CG GLN A 31 -8.268 -2.705 -8.268 1.00 10.76 C ATOM 496 CD GLN A 31 -8.424 -1.681 -9.352 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.268 -0.744 -9.249 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.798 -1.831 -10.559 1.00 14.76 N ATOM 0 H GLN A 31 -4.857 -3.020 -6.149 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.467 -3.961 -6.000 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.599 -1.840 -7.170 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.110 -2.856 -8.512 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.541 -3.685 -8.660 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.964 -2.479 -7.460 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.110 -2.573 -10.688 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.019 -1.201 -11.330 1.00 14.76 H new ATOM 507 N ASP A 32 -5.609 -5.754 -8.110 1.00 10.93 N ATOM 508 CA ASP A 32 -5.635 -6.990 -8.821 1.00 14.01 C ATOM 509 C ASP A 32 -5.843 -8.232 -7.901 1.00 14.04 C ATOM 510 O ASP A 32 -6.511 -9.214 -8.260 1.00 13.39 O ATOM 511 CB ASP A 32 -4.371 -7.126 -9.614 1.00 18.01 C ATOM 512 CG ASP A 32 -4.455 -8.186 -10.656 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.394 -8.162 -11.507 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.620 -9.172 -10.662 1.00 25.17 O ATOM 0 H ASP A 32 -4.707 -5.278 -8.127 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.499 -6.966 -9.485 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.142 -6.173 -10.090 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.546 -7.352 -8.938 1.00 18.01 H new ATOM 519 N LYS A 33 -5.238 -8.172 -6.731 1.00 14.22 N ATOM 520 CA LYS A 33 -5.299 -9.226 -5.749 1.00 14.00 C ATOM 521 C LYS A 33 -6.706 -9.346 -5.017 1.00 12.37 C ATOM 522 O LYS A 33 -7.130 -10.448 -4.632 1.00 12.17 O ATOM 523 CB LYS A 33 -4.295 -8.989 -4.580 1.00 18.62 C ATOM 524 CG LYS A 33 -2.781 -9.017 -5.011 1.00 24.00 C ATOM 525 CD LYS A 33 -2.226 -10.431 -5.405 1.00 27.61 C ATOM 526 CE LYS A 33 -0.717 -10.428 -5.753 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.293 -11.735 -6.184 1.00 30.06 N ATOM 0 H LYS A 33 -4.680 -7.371 -6.435 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.080 -10.119 -6.334 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.512 -8.025 -4.120 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.458 -9.750 -3.817 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.648 -8.343 -5.857 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.179 -8.623 -4.192 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.399 -11.123 -4.581 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.787 -10.807 -6.260 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.521 -9.699 -6.539 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.138 -10.121 -4.882 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.721 -11.713 -6.413 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.461 -12.423 -5.423 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.832 -12.014 -7.028 1.00 30.06 H new ATOM 541 N GLU A 34 -7.336 -8.251 -4.646 1.00 10.11 N ATOM 542 CA GLU A 34 -8.523 -8.179 -3.718 1.00 10.07 C ATOM 543 C GLU A 34 -9.611 -7.317 -4.327 1.00 9.32 C ATOM 544 O GLU A 34 -10.674 -7.272 -3.771 1.00 11.61 O ATOM 545 CB GLU A 34 -8.217 -7.487 -2.381 1.00 14.77 C ATOM 546 CG GLU A 34 -7.564 -8.395 -1.360 1.00 18.75 C ATOM 547 CD GLU A 34 -8.412 -9.576 -1.004 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.224 -9.478 -0.020 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.174 -10.694 -1.574 1.00 25.19 O ATOM 0 H GLU A 34 -7.049 -7.330 -4.978 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.810 -9.219 -3.561 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.564 -6.634 -2.565 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.145 -7.095 -1.964 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.608 -8.745 -1.751 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.349 -7.823 -0.457 1.00 18.75 H new ATOM 556 N GLY A 35 -9.515 -6.603 -5.482 1.00 7.22 N ATOM 557 CA GLY A 35 -10.673 -5.913 -6.074 1.00 6.29 C ATOM 558 C GLY A 35 -11.104 -4.557 -5.608 1.00 6.93 C ATOM 559 O GLY A 35 -12.036 -3.974 -6.117 1.00 7.41 O ATOM 0 H GLY A 35 -8.650 -6.496 -6.011 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.480 -5.832 -7.144 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.530 -6.575 -5.954 1.00 6.29 H new ATOM 563 N ILE A 36 -10.286 -3.992 -4.722 1.00 5.86 N ATOM 564 CA ILE A 36 -10.523 -2.746 -3.992 1.00 6.07 C ATOM 565 C ILE A 36 -10.146 -1.459 -4.814 1.00 6.36 C ATOM 566 O ILE A 36 -8.944 -1.373 -5.168 1.00 6.18 O ATOM 567 CB ILE A 36 -9.700 -2.778 -2.749 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.970 -4.051 -1.955 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.111 -1.504 -1.924 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.391 -4.060 -0.568 1.00 9.49 C ATOM 0 H ILE A 36 -9.390 -4.414 -4.480 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.591 -2.685 -3.782 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.634 -2.774 -2.977 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.048 -4.198 -1.885 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.568 -4.900 -2.508 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.539 -1.471 -0.997 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.904 -0.609 -2.510 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.175 -1.548 -1.693 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.633 -5.004 -0.079 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.308 -3.948 -0.625 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.811 -3.235 0.007 1.00 9.49 H new ATOM 582 N PRO A 37 -10.911 -0.470 -5.234 1.00 8.65 N ATOM 583 CA PRO A 37 -10.458 0.759 -5.954 1.00 9.18 C ATOM 584 C PRO A 37 -9.264 1.534 -5.320 1.00 9.85 C ATOM 585 O PRO A 37 -9.283 1.706 -4.075 1.00 8.51 O ATOM 586 CB PRO A 37 -11.713 1.609 -6.024 1.00 11.42 C ATOM 587 CG PRO A 37 -12.833 0.520 -5.971 1.00 9.27 C ATOM 588 CD PRO A 37 -12.361 -0.551 -5.031 1.00 8.33 C ATOM 0 HA PRO A 37 -10.039 0.488 -6.923 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.781 2.308 -5.191 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.758 2.199 -6.939 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.773 0.950 -5.625 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.017 0.108 -6.963 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.646 -0.350 -3.998 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.761 -1.532 -5.287 1.00 8.33 H new ATOM 596 N PRO A 38 -8.236 1.936 -6.005 1.00 8.71 N ATOM 597 CA PRO A 38 -6.993 2.512 -5.422 1.00 9.08 C ATOM 598 C PRO A 38 -7.278 3.890 -4.745 1.00 9.28 C ATOM 599 O PRO A 38 -6.540 4.123 -3.811 1.00 6.50 O ATOM 600 CB PRO A 38 -6.010 2.666 -6.591 1.00 10.31 C ATOM 601 CG PRO A 38 -6.320 1.493 -7.513 1.00 10.81 C ATOM 602 CD PRO A 38 -7.871 1.294 -7.268 1.00 12.00 C ATOM 0 HA PRO A 38 -6.585 1.867 -4.644 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.148 3.619 -7.102 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.976 2.636 -6.246 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.096 1.721 -8.555 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.747 0.604 -7.251 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.441 1.727 -8.090 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.115 0.232 -7.236 1.00 12.00 H new ATOM 610 N ASP A 39 -8.257 4.764 -5.172 1.00 11.20 N ATOM 611 CA ASP A 39 -8.643 6.054 -4.562 1.00 14.96 C ATOM 612 C ASP A 39 -9.202 5.710 -3.162 1.00 13.99 C ATOM 613 O ASP A 39 -8.998 6.365 -2.136 1.00 13.75 O ATOM 614 CB ASP A 39 -9.833 6.634 -5.280 1.00 24.16 C ATOM 615 CG ASP A 39 -9.476 7.080 -6.732 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.464 7.789 -6.982 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.187 6.620 -7.660 1.00 35.55 O ATOM 0 H ASP A 39 -8.818 4.558 -5.999 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.791 6.733 -4.577 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.633 5.894 -5.314 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.213 7.489 -4.721 1.00 24.16 H new ATOM 622 N GLN A 40 -9.899 4.571 -3.022 1.00 11.60 N ATOM 623 CA GLN A 40 -10.407 3.953 -1.797 1.00 10.76 C ATOM 624 C GLN A 40 -9.367 3.286 -0.933 1.00 8.01 C ATOM 625 O GLN A 40 -9.327 3.431 0.308 1.00 8.96 O ATOM 626 CB GLN A 40 -11.605 2.968 -2.216 1.00 11.14 C ATOM 627 CG GLN A 40 -12.185 2.432 -0.926 1.00 14.85 C ATOM 628 CD GLN A 40 -13.242 1.323 -1.275 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.959 0.099 -1.397 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.507 1.682 -1.371 1.00 18.16 N ATOM 0 H GLN A 40 -10.141 4.012 -3.841 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.771 4.744 -1.141 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.363 3.500 -2.791 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.239 2.156 -2.845 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.395 2.018 -0.299 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.654 3.236 -0.359 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.767 2.664 -1.277 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.226 0.978 -1.539 1.00 18.16 H new ATOM 639 N GLN A 41 -8.414 2.596 -1.573 1.00 6.52 N ATOM 640 CA GLN A 41 -7.303 2.033 -0.791 1.00 3.87 C ATOM 641 C GLN A 41 -6.416 3.213 -0.166 1.00 4.79 C ATOM 642 O GLN A 41 -5.995 4.149 -0.878 1.00 6.34 O ATOM 643 CB GLN A 41 -6.376 1.262 -1.697 1.00 4.20 C ATOM 644 CG GLN A 41 -6.855 -0.091 -2.100 1.00 3.20 C ATOM 645 CD GLN A 41 -5.859 -0.668 -3.096 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.673 -0.702 -2.766 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.334 -1.075 -4.282 1.00 7.13 N ATOM 0 H GLN A 41 -8.385 2.419 -2.577 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.734 1.399 -0.016 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.203 1.851 -2.598 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.413 1.154 -1.197 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.941 -0.740 -1.228 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.847 -0.026 -2.548 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.333 -1.014 -4.479 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.696 -1.445 -4.987 1.00 7.13 H new ATOM 656 N ARG A 42 -6.086 3.230 1.181 1.00 5.73 N ATOM 657 CA ARG A 42 -5.094 4.078 1.864 1.00 6.97 C ATOM 658 C ARG A 42 -4.025 3.140 2.515 1.00 7.15 C ATOM 659 O ARG A 42 -4.354 2.260 3.351 1.00 7.33 O ATOM 660 CB ARG A 42 -5.770 4.995 2.923 1.00 13.23 C ATOM 661 CG ARG A 42 -6.357 6.258 2.249 1.00 21.27 C ATOM 662 CD ARG A 42 -7.052 7.126 3.318 1.00 26.14 C ATOM 663 NE ARG A 42 -7.041 8.560 2.795 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.752 9.577 3.301 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.606 9.506 4.308 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.683 10.740 2.636 1.00 36.39 N ATOM 0 H ARG A 42 -6.551 2.602 1.837 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.613 4.742 1.146 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.561 4.447 3.435 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.041 5.285 3.680 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.565 6.826 1.761 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.069 5.974 1.474 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.073 6.785 3.490 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.529 7.058 4.272 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.443 8.761 1.994 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.772 8.614 4.774 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.099 10.343 4.618 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.111 10.813 1.794 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.202 11.551 2.972 1.00 36.39 H new ATOM 680 N LEU A 43 -2.732 3.357 2.256 1.00 4.65 N ATOM 681 CA LEU A 43 -1.655 2.681 2.908 1.00 3.51 C ATOM 682 C LEU A 43 -1.049 3.408 4.081 1.00 5.56 C ATOM 683 O LEU A 43 -0.774 4.586 4.072 1.00 4.19 O ATOM 684 CB LEU A 43 -0.526 2.097 1.956 1.00 3.74 C ATOM 685 CG LEU A 43 -0.957 0.890 1.151 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.228 0.513 0.264 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.423 -0.410 1.898 1.00 6.41 C ATOM 0 H LEU A 43 -2.418 4.034 1.561 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.182 1.818 3.315 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.203 2.881 1.270 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.339 1.826 2.561 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.864 1.219 0.644 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.032 -0.356 -0.340 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.473 1.349 -0.390 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.089 0.276 0.889 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.695 -1.172 1.167 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.611 -0.781 2.524 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.287 -0.181 2.522 1.00 6.41 H new ATOM 699 N ILE A 44 -0.755 2.544 5.077 1.00 4.58 N ATOM 700 CA ILE A 44 -0.170 2.922 6.352 1.00 5.55 C ATOM 701 C ILE A 44 1.123 2.145 6.536 1.00 5.46 C ATOM 702 O ILE A 44 1.158 0.947 6.441 1.00 6.04 O ATOM 703 CB ILE A 44 -1.111 2.720 7.541 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.477 3.358 7.307 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.527 3.111 8.822 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.593 4.855 7.133 1.00 13.90 C ATOM 0 H ILE A 44 -0.928 1.542 5.000 1.00 4.58 H new ATOM 0 HA ILE A 44 0.028 3.994 6.327 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.268 1.644 7.612 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.903 2.894 6.417 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.113 3.079 8.147 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.251 2.940 9.619 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.367 2.517 9.011 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.261 4.168 8.793 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.638 5.123 6.977 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.219 5.355 8.026 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.006 5.168 6.270 1.00 13.90 H new ATOM 718 N PHE A 45 2.230 2.812 6.865 1.00 6.75 N ATOM 719 CA PHE A 45 3.428 2.172 7.338 1.00 4.70 C ATOM 720 C PHE A 45 3.797 2.674 8.759 1.00 6.34 C ATOM 721 O PHE A 45 4.267 3.791 8.956 1.00 5.45 O ATOM 722 CB PHE A 45 4.492 2.655 6.279 1.00 5.51 C ATOM 723 CG PHE A 45 5.847 2.173 6.460 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.163 0.863 6.897 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.913 3.032 6.172 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.491 0.470 7.273 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.239 2.642 6.469 1.00 6.64 C ATOM 728 CZ PHE A 45 8.535 1.322 6.953 1.00 6.84 C ATOM 0 H PHE A 45 2.306 3.827 6.804 1.00 6.75 H new ATOM 0 HA PHE A 45 3.348 1.088 7.423 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.151 2.351 5.289 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.513 3.745 6.289 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.372 0.130 6.949 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.723 3.995 5.722 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.671 -0.461 7.790 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.044 3.349 6.330 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.559 0.998 7.066 1.00 6.84 H new ATOM 738 N ALA A 46 3.445 1.855 9.773 1.00 6.53 N ATOM 739 CA ALA A 46 3.725 2.142 11.192 1.00 7.15 C ATOM 740 C ALA A 46 2.977 3.343 11.668 1.00 9.00 C ATOM 741 O ALA A 46 3.535 4.220 12.295 1.00 11.15 O ATOM 742 CB ALA A 46 5.280 2.265 11.376 1.00 8.99 C ATOM 0 H ALA A 46 2.956 0.972 9.627 1.00 6.53 H new ATOM 0 HA ALA A 46 3.369 1.324 11.818 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.507 2.478 12.421 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.756 1.329 11.084 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.657 3.074 10.751 1.00 8.99 H new ATOM 748 N GLY A 47 1.705 3.523 11.281 1.00 9.35 N ATOM 749 CA GLY A 47 0.954 4.730 11.682 1.00 11.68 C ATOM 750 C GLY A 47 1.202 5.932 10.794 1.00 11.14 C ATOM 751 O GLY A 47 0.603 6.985 11.085 1.00 13.93 O ATOM 0 H GLY A 47 1.181 2.866 10.703 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.112 4.501 11.677 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.220 4.987 12.707 1.00 11.68 H new ATOM 755 N LYS A 48 2.022 5.782 9.724 1.00 10.47 N ATOM 756 CA LYS A 48 2.267 6.876 8.832 1.00 8.82 C ATOM 757 C LYS A 48 1.608 6.626 7.511 1.00 7.68 C ATOM 758 O LYS A 48 1.880 5.677 6.753 1.00 6.47 O ATOM 759 CB LYS A 48 3.776 6.984 8.654 1.00 9.74 C ATOM 760 CG LYS A 48 4.201 8.245 7.981 1.00 14.14 C ATOM 761 CD LYS A 48 5.722 8.469 7.993 1.00 16.32 C ATOM 762 CE LYS A 48 6.214 9.626 7.095 1.00 20.04 C ATOM 763 NZ LYS A 48 7.578 10.017 7.471 1.00 23.92 N ATOM 0 H LYS A 48 2.505 4.916 9.484 1.00 10.47 H new ATOM 0 HA LYS A 48 1.858 7.802 9.237 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.256 6.922 9.631 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.128 6.133 8.071 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.853 8.230 6.948 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.714 9.089 8.470 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.038 8.664 9.018 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.213 7.549 7.677 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.191 9.319 6.049 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.544 10.480 7.191 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.897 10.796 6.860 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.589 10.329 8.463 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.216 9.204 7.357 1.00 23.92 H new ATOM 777 N GLN A 49 0.693 7.555 7.138 1.00 8.89 N ATOM 778 CA GLN A 49 -0.041 7.424 5.901 1.00 7.18 C ATOM 779 C GLN A 49 0.738 7.919 4.701 1.00 8.23 C ATOM 780 O GLN A 49 1.378 8.996 4.705 1.00 9.70 O ATOM 781 CB GLN A 49 -1.403 8.145 6.024 1.00 11.67 C ATOM 782 CG GLN A 49 -2.408 7.738 4.869 1.00 15.82 C ATOM 783 CD GLN A 49 -3.665 8.400 5.253 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.435 7.930 6.100 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.010 9.524 4.508 1.00 20.67 N ATOM 0 H GLN A 49 0.463 8.386 7.684 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.211 6.361 5.729 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.850 7.910 6.990 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.244 9.223 6.000 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.057 8.078 3.895 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.528 6.657 4.805 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.361 9.895 3.815 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.912 9.976 4.655 1.00 20.67 H new ATOM 794 N LEU A 50 0.709 7.085 3.682 1.00 6.51 N ATOM 795 CA LEU A 50 1.590 7.264 2.597 1.00 7.41 C ATOM 796 C LEU A 50 0.811 7.983 1.456 1.00 8.27 C ATOM 797 O LEU A 50 -0.410 7.867 1.333 1.00 8.34 O ATOM 798 CB LEU A 50 2.203 5.975 2.069 1.00 7.13 C ATOM 799 CG LEU A 50 2.711 5.005 3.143 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.168 3.709 2.464 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.886 5.530 4.008 1.00 9.11 C ATOM 0 H LEU A 50 0.080 6.286 3.602 1.00 6.51 H new ATOM 0 HA LEU A 50 2.429 7.859 2.957 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.459 5.461 1.460 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.033 6.230 1.410 1.00 7.13 H new ATOM 0 HG LEU A 50 1.871 4.859 3.822 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.531 3.011 3.219 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.329 3.262 1.931 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.969 3.931 1.759 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.170 4.770 4.736 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.738 5.754 3.366 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.577 6.435 4.531 1.00 9.11 H new ATOM 813 N GLU A 51 1.466 8.822 0.665 1.00 9.43 N ATOM 814 CA GLU A 51 0.820 9.614 -0.361 1.00 11.90 C ATOM 815 C GLU A 51 1.198 9.112 -1.737 1.00 11.49 C ATOM 816 O GLU A 51 2.216 8.485 -1.937 1.00 9.88 O ATOM 817 CB GLU A 51 1.323 11.060 -0.231 1.00 16.56 C ATOM 818 CG GLU A 51 0.779 11.666 1.049 1.00 26.06 C ATOM 819 CD GLU A 51 1.208 13.108 1.143 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.082 13.555 0.339 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.734 13.824 2.066 1.00 33.44 O ATOM 0 H GLU A 51 2.474 8.970 0.722 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.261 9.548 -0.238 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.413 11.079 -0.221 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.002 11.648 -1.091 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.309 11.597 1.063 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.145 11.109 1.912 1.00 26.06 H new ATOM 828 N ASP A 52 0.259 9.298 -2.638 1.00 12.71 N ATOM 829 CA ASP A 52 0.142 8.489 -3.843 1.00 16.56 C ATOM 830 C ASP A 52 1.361 8.459 -4.795 1.00 15.83 C ATOM 831 O ASP A 52 1.724 7.556 -5.524 1.00 17.21 O ATOM 832 CB ASP A 52 -1.097 8.887 -4.631 1.00 21.05 C ATOM 833 CG ASP A 52 -2.410 8.570 -3.987 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.955 7.436 -4.199 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.959 9.479 -3.345 1.00 25.82 O ATOM 0 H ASP A 52 -0.455 10.022 -2.559 1.00 12.71 H new ATOM 0 HA ASP A 52 0.073 7.473 -3.454 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.056 9.960 -4.818 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.061 8.392 -5.602 1.00 21.05 H new ATOM 840 N GLY A 53 1.961 9.668 -4.949 1.00 15.00 N ATOM 841 CA GLY A 53 3.092 9.948 -5.805 1.00 11.77 C ATOM 842 C GLY A 53 4.473 9.841 -5.167 1.00 11.10 C ATOM 843 O GLY A 53 5.468 10.058 -5.837 1.00 11.25 O ATOM 0 H GLY A 53 1.638 10.496 -4.448 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.055 9.265 -6.654 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.977 10.956 -6.202 1.00 11.77 H new ATOM 847 N ARG A 54 4.573 9.539 -3.853 1.00 8.53 N ATOM 848 CA ARG A 54 5.875 9.181 -3.293 1.00 9.05 C ATOM 849 C ARG A 54 6.254 7.715 -3.646 1.00 8.96 C ATOM 850 O ARG A 54 5.393 6.967 -4.094 1.00 11.60 O ATOM 851 CB ARG A 54 5.849 9.351 -1.795 1.00 7.97 C ATOM 852 CG ARG A 54 5.935 10.804 -1.339 1.00 9.62 C ATOM 853 CD ARG A 54 7.272 11.526 -1.485 1.00 12.20 C ATOM 854 NE ARG A 54 6.921 12.840 -0.967 1.00 18.23 N ATOM 855 CZ ARG A 54 7.366 14.019 -1.447 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.303 14.167 -2.396 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.844 15.165 -0.967 1.00 23.38 N ATOM 0 H ARG A 54 3.796 9.538 -3.192 1.00 8.53 H new ATOM 0 HA ARG A 54 6.625 9.842 -3.726 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.931 8.911 -1.405 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.679 8.794 -1.361 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.187 11.372 -1.893 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.649 10.841 -0.288 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.065 11.051 -0.908 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.611 11.565 -2.520 1.00 12.20 H new ATOM 0 HE ARG A 54 6.283 12.872 -0.172 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.739 13.345 -2.814 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.579 15.101 -2.699 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.121 15.134 -0.249 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.172 16.063 -1.322 1.00 23.38 H new ATOM 871 N THR A 55 7.504 7.317 -3.501 1.00 9.05 N ATOM 872 CA THR A 55 7.970 5.967 -3.803 1.00 9.03 C ATOM 873 C THR A 55 8.069 5.286 -2.450 1.00 8.15 C ATOM 874 O THR A 55 7.859 5.917 -1.420 1.00 5.91 O ATOM 875 CB THR A 55 9.407 5.863 -4.430 1.00 11.15 C ATOM 876 OG1 THR A 55 10.407 6.640 -3.883 1.00 11.95 O ATOM 877 CG2 THR A 55 9.159 6.308 -5.908 1.00 11.71 C ATOM 0 H THR A 55 8.243 7.933 -3.163 1.00 9.05 H new ATOM 0 HA THR A 55 7.281 5.540 -4.532 1.00 9.03 H new ATOM 0 HB THR A 55 9.791 4.856 -4.265 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.049 7.525 -3.661 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.099 6.278 -6.460 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.442 5.633 -6.376 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.763 7.323 -5.921 1.00 11.71 H new ATOM 885 N LEU A 56 8.422 3.985 -2.410 1.00 6.91 N ATOM 886 CA LEU A 56 8.884 3.266 -1.190 1.00 8.29 C ATOM 887 C LEU A 56 10.146 3.915 -0.612 1.00 8.05 C ATOM 888 O LEU A 56 10.106 4.275 0.552 1.00 10.17 O ATOM 889 CB LEU A 56 9.156 1.787 -1.456 1.00 6.60 C ATOM 890 CG LEU A 56 7.907 0.899 -1.488 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.029 0.922 -2.723 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.389 -0.548 -1.380 1.00 8.64 C ATOM 0 H LEU A 56 8.396 3.388 -3.236 1.00 6.91 H new ATOM 0 HA LEU A 56 8.072 3.339 -0.467 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.676 1.693 -2.410 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.831 1.412 -0.687 1.00 6.60 H new ATOM 0 HG LEU A 56 7.291 1.292 -0.679 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.190 0.240 -2.585 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.653 1.933 -2.884 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.612 0.610 -3.590 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.531 -1.220 -1.399 1.00 8.64 H new ATOM 0 HD22 LEU A 56 9.047 -0.776 -2.219 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.934 -0.681 -0.445 1.00 8.64 H new ATOM 904 N SER A 57 11.151 4.195 -1.479 1.00 8.92 N ATOM 905 CA SER A 57 12.451 4.803 -1.184 1.00 9.00 C ATOM 906 C SER A 57 12.444 6.149 -0.381 1.00 9.44 C ATOM 907 O SER A 57 13.197 6.298 0.563 1.00 10.91 O ATOM 908 CB SER A 57 13.355 4.934 -2.486 1.00 10.32 C ATOM 909 OG SER A 57 14.700 5.273 -2.175 1.00 13.59 O ATOM 0 H SER A 57 11.056 3.982 -2.472 1.00 8.92 H new ATOM 0 HA SER A 57 12.892 4.086 -0.492 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.337 3.992 -3.035 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.933 5.694 -3.144 1.00 10.32 H new ATOM 0 HG SER A 57 15.220 5.342 -3.003 1.00 13.59 H new ATOM 915 N ASP A 58 11.544 7.055 -0.757 1.00 9.11 N ATOM 916 CA ASP A 58 11.241 8.237 0.053 1.00 7.91 C ATOM 917 C ASP A 58 10.885 7.984 1.508 1.00 9.12 C ATOM 918 O ASP A 58 11.266 8.748 2.397 1.00 8.61 O ATOM 919 CB ASP A 58 10.028 8.994 -0.585 1.00 8.41 C ATOM 920 CG ASP A 58 10.366 9.515 -1.918 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.159 10.460 -1.943 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.844 8.988 -2.929 1.00 11.70 O ATOM 0 H ASP A 58 11.008 6.994 -1.623 1.00 9.11 H new ATOM 0 HA ASP A 58 12.171 8.805 0.056 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.175 8.320 -0.661 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.727 9.816 0.064 1.00 8.41 H new ATOM 927 N TYR A 59 10.171 6.890 1.801 1.00 7.97 N ATOM 928 CA TYR A 59 9.682 6.575 3.116 1.00 8.45 C ATOM 929 C TYR A 59 10.469 5.455 3.735 1.00 10.98 C ATOM 930 O TYR A 59 10.206 4.947 4.845 1.00 12.95 O ATOM 931 CB TYR A 59 8.191 5.986 3.074 1.00 7.94 C ATOM 932 CG TYR A 59 7.204 7.002 2.574 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.990 8.202 3.300 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.449 6.747 1.436 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.960 9.013 2.858 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.357 7.535 1.049 1.00 6.52 C ATOM 937 CZ TYR A 59 5.149 8.693 1.765 1.00 6.76 C ATOM 938 OH TYR A 59 4.112 9.599 1.419 1.00 7.63 O ATOM 0 H TYR A 59 9.920 6.192 1.101 1.00 7.97 H new ATOM 0 HA TYR A 59 9.751 7.511 3.670 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.165 5.107 2.430 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.901 5.658 4.072 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.598 8.468 4.152 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.717 5.901 0.820 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.773 9.938 3.383 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.712 7.249 0.231 1.00 6.52 H new ATOM 0 HH TYR A 59 4.378 10.510 1.664 1.00 7.63 H new ATOM 948 N ASN A 60 11.596 5.075 3.107 1.00 12.38 N ATOM 949 CA ASN A 60 12.589 4.144 3.576 1.00 13.94 C ATOM 950 C ASN A 60 12.036 2.762 3.914 1.00 14.16 C ATOM 951 O ASN A 60 12.298 2.126 4.953 1.00 14.26 O ATOM 952 CB ASN A 60 13.436 4.820 4.688 1.00 19.23 C ATOM 953 CG ASN A 60 14.238 5.988 4.024 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.118 5.684 3.186 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.944 7.270 4.309 1.00 24.09 N ATOM 0 H ASN A 60 11.837 5.451 2.190 1.00 12.38 H new ATOM 0 HA ASN A 60 13.268 3.907 2.756 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.793 5.199 5.482 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.115 4.100 5.144 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.443 8.025 3.838 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.222 7.487 4.996 1.00 24.09 H new ATOM 962 N ILE A 61 11.151 2.243 3.010 1.00 11.08 N ATOM 963 CA ILE A 61 10.529 0.908 3.125 1.00 11.78 C ATOM 964 C ILE A 61 11.663 -0.104 2.866 1.00 13.74 C ATOM 965 O ILE A 61 12.568 0.152 2.023 1.00 14.60 O ATOM 966 CB ILE A 61 9.219 0.744 2.301 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.353 1.971 2.659 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.519 -0.642 2.560 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.926 2.025 2.190 1.00 11.42 C ATOM 0 H ILE A 61 10.854 2.753 2.178 1.00 11.08 H new ATOM 0 HA ILE A 61 10.125 0.726 4.121 1.00 11.78 H new ATOM 0 HB ILE A 61 9.409 0.721 1.228 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.345 2.061 3.745 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.859 2.854 2.270 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.610 -0.708 1.962 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.196 -1.449 2.281 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.266 -0.730 3.617 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.466 2.953 2.529 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.899 1.983 1.101 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.376 1.177 2.599 1.00 11.42 H new ATOM 981 N GLN A 62 11.630 -1.272 3.492 1.00 13.97 N ATOM 982 CA GLN A 62 12.616 -2.305 3.531 1.00 15.52 C ATOM 983 C GLN A 62 11.884 -3.483 2.966 1.00 13.94 C ATOM 984 O GLN A 62 10.658 -3.455 2.827 1.00 12.15 O ATOM 985 CB GLN A 62 13.018 -2.563 5.030 1.00 19.53 C ATOM 986 CG GLN A 62 13.411 -1.221 5.730 1.00 26.38 C ATOM 987 CD GLN A 62 14.690 -0.632 5.215 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.739 -1.273 5.306 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.584 0.562 4.611 1.00 32.71 N ATOM 0 H GLN A 62 10.812 -1.532 4.043 1.00 13.97 H new ATOM 0 HA GLN A 62 13.533 -2.079 2.987 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.187 -3.027 5.561 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.854 -3.261 5.074 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.606 -0.499 5.592 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.505 -1.393 6.802 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.682 1.036 4.573 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.406 0.995 4.190 1.00 32.71 H new ATOM 998 N LYS A 63 12.582 -4.606 2.632 1.00 11.73 N ATOM 999 CA LYS A 63 11.945 -5.849 2.341 1.00 11.97 C ATOM 1000 C LYS A 63 11.134 -6.401 3.518 1.00 10.41 C ATOM 1001 O LYS A 63 11.475 -6.118 4.660 1.00 9.59 O ATOM 1002 CB LYS A 63 12.947 -6.881 1.820 1.00 13.73 C ATOM 1003 CG LYS A 63 13.966 -7.174 2.972 1.00 16.98 C ATOM 1004 CD LYS A 63 14.845 -8.418 2.692 1.00 20.19 C ATOM 1005 CE LYS A 63 14.060 -9.693 2.783 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.736 -10.797 2.163 1.00 25.97 N ATOM 0 H LYS A 63 13.599 -4.637 2.567 1.00 11.73 H new ATOM 0 HA LYS A 63 11.226 -5.644 1.548 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.434 -7.795 1.520 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.464 -6.502 0.939 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.608 -6.305 3.113 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.421 -7.322 3.904 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.286 -8.334 1.699 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.669 -8.448 3.405 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.873 -9.927 3.831 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.088 -9.553 2.309 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.154 -11.654 2.252 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.892 -10.587 1.156 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.652 -10.950 2.631 1.00 25.97 H new ATOM 1020 N GLU A 64 10.058 -7.152 3.286 1.00 10.04 N ATOM 1021 CA GLU A 64 9.134 -7.673 4.306 1.00 10.94 C ATOM 1022 C GLU A 64 8.409 -6.714 5.263 1.00 9.74 C ATOM 1023 O GLU A 64 7.819 -7.075 6.231 1.00 9.42 O ATOM 1024 CB GLU A 64 9.739 -8.858 5.118 1.00 18.31 C ATOM 1025 CG GLU A 64 10.565 -9.906 4.236 1.00 24.16 C ATOM 1026 CD GLU A 64 11.192 -11.014 5.115 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.267 -10.701 5.688 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.670 -12.141 5.137 1.00 32.61 O ATOM 0 H GLU A 64 9.790 -7.429 2.342 1.00 10.04 H new ATOM 0 HA GLU A 64 8.332 -7.994 3.642 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.393 -8.456 5.892 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.931 -9.385 5.626 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.907 -10.357 3.494 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.351 -9.384 3.690 1.00 24.16 H new ATOM 1035 N SER A 65 8.458 -5.446 4.965 1.00 6.85 N ATOM 1036 CA SER A 65 7.816 -4.391 5.734 1.00 6.90 C ATOM 1037 C SER A 65 6.313 -4.609 5.838 1.00 4.72 C ATOM 1038 O SER A 65 5.598 -4.945 4.856 1.00 3.91 O ATOM 1039 CB SER A 65 8.116 -3.012 5.201 1.00 7.28 C ATOM 1040 OG SER A 65 9.478 -2.718 5.163 1.00 10.56 O ATOM 0 H SER A 65 8.963 -5.095 4.151 1.00 6.85 H new ATOM 0 HA SER A 65 8.243 -4.447 6.735 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.704 -2.921 4.196 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.609 -2.273 5.821 1.00 7.28 H new ATOM 0 HG SER A 65 9.880 -3.131 4.370 1.00 10.56 H new ATOM 1046 N THR A 66 5.747 -4.318 7.031 1.00 4.48 N ATOM 1047 CA THR A 66 4.291 -4.540 7.193 1.00 3.80 C ATOM 1048 C THR A 66 3.580 -3.284 6.922 1.00 4.60 C ATOM 1049 O THR A 66 3.419 -2.365 7.772 1.00 5.33 O ATOM 1050 CB THR A 66 3.846 -5.053 8.566 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.524 -6.241 9.017 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.364 -5.402 8.544 1.00 3.40 C ATOM 0 H THR A 66 6.237 -3.952 7.848 1.00 4.48 H new ATOM 0 HA THR A 66 4.046 -5.330 6.483 1.00 3.80 H new ATOM 0 HB THR A 66 4.087 -4.235 9.245 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.182 -6.498 9.899 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.061 -5.765 9.526 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.785 -4.514 8.291 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.184 -6.177 7.799 1.00 3.40 H new ATOM 1060 N LEU A 67 2.978 -3.262 5.663 1.00 4.17 N ATOM 1061 CA LEU A 67 2.069 -2.209 5.310 1.00 3.85 C ATOM 1062 C LEU A 67 0.680 -2.623 5.883 1.00 3.80 C ATOM 1063 O LEU A 67 0.257 -3.778 6.001 1.00 5.54 O ATOM 1064 CB LEU A 67 1.979 -2.023 3.757 1.00 7.18 C ATOM 1065 CG LEU A 67 3.133 -1.213 3.122 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.493 0.037 3.807 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.370 -2.082 2.935 1.00 11.66 C ATOM 0 H LEU A 67 3.132 -3.960 4.935 1.00 4.17 H new ATOM 0 HA LEU A 67 2.410 -1.257 5.718 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.948 -3.008 3.291 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.037 -1.529 3.521 1.00 7.18 H new ATOM 0 HG LEU A 67 2.735 -0.900 2.157 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.312 0.520 3.275 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.630 0.703 3.827 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.804 -0.184 4.828 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.167 -1.489 2.487 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.699 -2.460 3.903 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.130 -2.920 2.281 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.150 -1.647 6.262 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.476 -1.825 6.702 1.00 4.17 C ATOM 1081 C HIS A 68 -2.287 -1.013 5.740 1.00 5.32 C ATOM 1082 O HIS A 68 -1.905 0.024 5.203 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.726 -1.326 8.110 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.145 -2.240 9.157 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.193 -2.569 9.175 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.725 -2.754 10.255 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.395 -3.271 10.285 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.726 -3.377 10.993 1.00 16.30 N ATOM 0 H HIS A 68 0.132 -0.667 6.258 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.726 -2.886 6.729 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.295 -0.331 8.221 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.799 -1.229 8.272 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.772 -2.694 10.515 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.344 -3.699 10.574 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.832 -3.828 11.902 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.491 -1.520 5.460 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.412 -1.095 4.438 1.00 3.97 C ATOM 1098 C LEU A 69 -5.647 -0.593 5.116 1.00 5.07 C ATOM 1099 O LEU A 69 -6.446 -1.385 5.671 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.588 -2.144 3.274 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.598 -1.753 2.194 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.190 -0.532 1.354 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.863 -2.930 1.300 1.00 9.96 C ATOM 0 H LEU A 69 -3.864 -2.304 5.996 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.012 -0.256 3.868 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.619 -2.305 2.802 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.894 -3.096 3.707 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.505 -1.456 2.721 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.963 -0.325 0.613 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.070 0.334 2.005 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.247 -0.738 0.847 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.583 -2.648 0.532 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.933 -3.245 0.828 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.266 -3.752 1.891 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.863 0.755 5.102 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.135 1.315 5.516 1.00 6.26 C ATOM 1117 C VAL A 70 -7.881 1.764 4.289 1.00 9.22 C ATOM 1118 O VAL A 70 -7.383 1.883 3.171 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.092 2.363 6.690 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.240 1.778 7.827 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.437 3.649 6.143 1.00 8.54 C ATOM 0 H VAL A 70 -5.170 1.444 4.810 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.697 0.520 6.005 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.090 2.587 7.068 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.197 2.489 8.652 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.687 0.846 8.174 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.231 1.583 7.463 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.391 4.398 6.933 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.428 3.425 5.797 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.028 4.033 5.312 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.185 2.082 4.430 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.992 2.471 3.297 1.00 16.06 C ATOM 1133 C LEU A 71 -10.803 3.672 3.513 1.00 18.09 C ATOM 1134 O LEU A 71 -11.341 3.896 4.571 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.110 1.346 3.023 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.546 -0.070 2.747 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.662 -1.068 2.570 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.789 0.003 1.388 1.00 19.57 C ATOM 0 H LEU A 71 -9.683 2.072 5.320 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.268 2.627 2.497 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.775 1.296 3.885 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.715 1.654 2.171 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.912 -0.377 3.579 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.241 -2.055 2.377 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.267 -1.102 3.476 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.287 -0.770 1.728 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.372 -0.976 1.151 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.481 0.303 0.602 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.983 0.733 1.459 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.882 4.488 2.425 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.594 5.777 2.351 1.00 25.83 C ATOM 1152 C ARG A 72 -13.083 5.634 2.027 1.00 27.74 C ATOM 1153 O ARG A 72 -13.537 4.678 1.457 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.875 6.575 1.290 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.111 8.066 1.276 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.132 8.861 0.470 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.498 10.315 0.522 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.784 11.308 -0.044 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.632 11.097 -0.687 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.243 12.549 0.113 1.00 35.02 N ATOM 0 H ARG A 72 -10.429 4.247 1.543 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.579 6.271 3.323 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.805 6.403 1.404 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.160 6.178 0.316 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.113 8.255 0.890 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.091 8.430 2.303 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.124 8.716 0.858 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.129 8.513 -0.563 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.349 10.571 1.022 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.257 10.151 -0.765 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.127 11.881 -1.100 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.099 12.713 0.643 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.738 13.335 -0.296 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.863 6.609 2.479 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.266 6.739 2.294 1.00 30.76 C ATOM 1176 C LEU A 73 -15.661 8.008 1.540 1.00 32.18 C ATOM 1177 O LEU A 73 -14.921 8.985 1.741 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.034 6.623 3.645 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.756 5.344 4.378 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.024 5.549 5.861 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.646 4.173 3.879 1.00 29.11 C ATOM 0 H LEU A 73 -13.480 7.380 3.025 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.563 5.903 1.660 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.763 7.465 4.282 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.104 6.699 3.454 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.714 5.084 4.194 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.823 4.622 6.398 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.375 6.337 6.242 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.066 5.835 6.006 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.407 3.270 4.440 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.696 4.425 4.027 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.460 4.001 2.819 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.718 8.033 0.680 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.184 9.268 0.093 1.00 35.33 C ATOM 1195 C ARG A 74 -17.640 10.342 1.105 1.00 36.22 C ATOM 1196 O ARG A 74 -18.155 9.973 2.192 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.310 8.901 -0.901 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.863 8.051 -2.096 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.793 8.104 -3.272 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.345 7.052 -4.259 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.506 7.224 -5.268 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.779 8.377 -5.373 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.386 6.230 -6.188 1.00 41.93 N ATOM 0 H ARG A 74 -17.242 7.206 0.396 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.342 9.745 -0.410 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.090 8.363 -0.362 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.759 9.821 -1.275 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.875 8.383 -2.414 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.763 7.015 -1.773 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.820 7.920 -2.956 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.773 9.092 -3.731 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.728 6.115 -4.135 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.882 9.110 -4.671 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.134 8.504 -6.153 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.936 5.376 -6.091 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.746 6.338 -6.975 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.458 11.657 0.766 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.759 12.731 1.694 1.00 36.07 C ATOM 1219 C GLY A 75 -16.517 13.043 2.520 1.00 36.16 C ATOM 1220 O GLY A 75 -16.584 13.623 3.648 1.00 36.26 O ATOM 0 H GLY A 75 -17.107 11.968 -0.140 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.080 13.619 1.149 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.582 12.443 2.348 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.345 12.667 2.085 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.180 12.799 2.951 1.00 36.19 C ATOM 1226 C GLY A 76 -12.896 12.565 2.283 1.00 36.20 C ATOM 1227 O GLY A 76 -12.406 11.422 2.259 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.367 13.514 1.636 1.00 0.00 O ATOM 0 H GLY A 76 -15.162 12.275 1.161 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.174 13.801 3.381 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.277 12.097 3.779 1.00 36.19 H new TER 1232 GLY A 76