USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 558 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 Single : A 1 GLY N :NH3+ -170:sc= 0 (180deg=-0.0965) USER MOD Single : A 2 SER OG : rot 180:sc= -0.446 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -42:sc= -1.36! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -166:sc= -1.8! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.43! C(o=-2.4!,f=-5.7!) USER MOD Single : A 24 THR OG1 : rot -70:sc= 0.289 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 107:sc= -0.222! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.282 (180deg=-0.803) USER MOD Single : A 37 GLN : amide:sc= -2.81! K(o=-2.8!,f=-1.3) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 56 SER OG : rot -80:sc= 0.473 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00829 K(o=-0.0083,f=-1.6) USER MOD Single : A 69 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.003 -13.682 -27.961 1.00 33.28 N ATOM 2 CA GLY A 1 -12.882 -12.954 -28.919 1.00 33.40 C ATOM 3 C GLY A 1 -13.130 -11.524 -28.431 1.00 31.77 C ATOM 4 O GLY A 1 -13.134 -10.597 -29.215 1.00 32.68 O ATOM 0 H1 GLY A 1 -11.705 -14.585 -28.381 1.00 33.28 H new ATOM 0 H2 GLY A 1 -11.164 -13.104 -27.751 1.00 33.28 H new ATOM 0 H3 GLY A 1 -12.526 -13.865 -27.081 1.00 33.28 H new ATOM 0 HA2 GLY A 1 -12.418 -12.934 -29.905 1.00 33.40 H new ATOM 0 HA3 GLY A 1 -13.831 -13.480 -29.024 1.00 33.40 H new ATOM 10 N SER A 2 -13.325 -11.379 -27.143 1.00 29.45 N ATOM 11 CA SER A 2 -13.576 -10.019 -26.580 1.00 27.87 C ATOM 12 C SER A 2 -12.359 -9.515 -25.797 1.00 25.07 C ATOM 13 O SER A 2 -11.475 -10.282 -25.466 1.00 23.63 O ATOM 14 CB SER A 2 -14.766 -10.125 -25.618 1.00 27.78 C ATOM 15 OG SER A 2 -15.767 -9.317 -26.219 1.00 29.98 O ATOM 0 H SER A 2 -13.321 -12.139 -26.463 1.00 29.45 H new ATOM 0 HA SER A 2 -13.776 -9.322 -27.394 1.00 27.87 H new ATOM 0 HB2 SER A 2 -15.099 -11.157 -25.508 1.00 27.78 H new ATOM 0 HB3 SER A 2 -14.507 -9.765 -24.622 1.00 27.78 H new ATOM 0 HG SER A 2 -16.574 -9.329 -25.664 1.00 29.98 H new ATOM 21 N PRO A 3 -12.330 -8.226 -25.511 1.00 24.36 N ATOM 22 CA PRO A 3 -11.212 -7.636 -24.762 1.00 21.80 C ATOM 23 C PRO A 3 -11.018 -8.347 -23.426 1.00 19.93 C ATOM 24 O PRO A 3 -11.536 -9.428 -23.223 1.00 20.96 O ATOM 25 CB PRO A 3 -11.626 -6.173 -24.523 1.00 21.75 C ATOM 26 CG PRO A 3 -12.960 -5.932 -25.272 1.00 24.41 C ATOM 27 CD PRO A 3 -13.387 -7.266 -25.903 1.00 26.08 C ATOM 0 HA PRO A 3 -10.271 -7.723 -25.305 1.00 21.80 H new ATOM 0 HB2 PRO A 3 -11.746 -5.979 -23.457 1.00 21.75 H new ATOM 0 HB3 PRO A 3 -10.855 -5.493 -24.886 1.00 21.75 H new ATOM 0 HG2 PRO A 3 -13.725 -5.571 -24.585 1.00 24.41 H new ATOM 0 HG3 PRO A 3 -12.835 -5.168 -26.039 1.00 24.41 H new ATOM 0 HD2 PRO A 3 -14.364 -7.582 -25.537 1.00 26.08 H new ATOM 0 HD3 PRO A 3 -13.464 -7.184 -26.987 1.00 26.08 H new ATOM 35 N THR A 4 -10.272 -7.727 -22.545 1.00 17.46 N ATOM 36 CA THR A 4 -10.028 -8.346 -21.215 1.00 15.66 C ATOM 37 C THR A 4 -10.597 -7.486 -20.087 1.00 13.38 C ATOM 38 O THR A 4 -11.010 -6.360 -20.292 1.00 13.02 O ATOM 39 CB THR A 4 -8.510 -8.454 -21.012 1.00 14.71 C ATOM 40 OG1 THR A 4 -8.001 -8.930 -22.243 1.00 16.27 O ATOM 41 CG2 THR A 4 -8.142 -9.547 -19.996 1.00 15.30 C ATOM 0 H THR A 4 -9.825 -6.822 -22.693 1.00 17.46 H new ATOM 0 HA THR A 4 -10.514 -9.321 -21.189 1.00 15.66 H new ATOM 0 HB THR A 4 -8.126 -7.491 -20.676 1.00 14.71 H new ATOM 0 HG1 THR A 4 -7.027 -9.021 -22.181 1.00 16.27 H new ATOM 0 HG21 THR A 4 -7.059 -9.589 -19.883 1.00 15.30 H new ATOM 0 HG22 THR A 4 -8.599 -9.317 -19.033 1.00 15.30 H new ATOM 0 HG23 THR A 4 -8.507 -10.511 -20.350 1.00 15.30 H new ATOM 49 N PHE A 5 -10.609 -8.061 -18.919 1.00 12.17 N ATOM 50 CA PHE A 5 -11.130 -7.356 -17.724 1.00 10.16 C ATOM 51 C PHE A 5 -10.468 -7.978 -16.500 1.00 8.44 C ATOM 52 O PHE A 5 -10.569 -9.171 -16.301 1.00 9.38 O ATOM 53 CB PHE A 5 -12.647 -7.580 -17.643 1.00 11.38 C ATOM 54 CG PHE A 5 -13.382 -6.379 -18.246 1.00 10.98 C ATOM 55 CD1 PHE A 5 -13.527 -5.211 -17.523 1.00 11.08 C ATOM 56 CD2 PHE A 5 -13.935 -6.459 -19.513 1.00 10.59 C ATOM 57 CE1 PHE A 5 -14.216 -4.139 -18.054 1.00 10.76 C ATOM 58 CE2 PHE A 5 -14.624 -5.385 -20.045 1.00 10.26 C ATOM 59 CZ PHE A 5 -14.764 -4.226 -19.314 1.00 10.33 C ATOM 0 H PHE A 5 -10.273 -9.008 -18.742 1.00 12.17 H new ATOM 0 HA PHE A 5 -10.920 -6.288 -17.775 1.00 10.16 H new ATOM 0 HB2 PHE A 5 -12.918 -8.490 -18.178 1.00 11.38 H new ATOM 0 HB3 PHE A 5 -12.948 -7.719 -16.605 1.00 11.38 H new ATOM 0 HD1 PHE A 5 -13.098 -5.136 -16.535 1.00 11.08 H new ATOM 0 HD2 PHE A 5 -13.827 -7.366 -20.089 1.00 10.59 H new ATOM 0 HE1 PHE A 5 -14.325 -3.231 -17.480 1.00 10.76 H new ATOM 0 HE2 PHE A 5 -15.053 -5.455 -21.034 1.00 10.26 H new ATOM 0 HZ PHE A 5 -15.303 -3.387 -19.729 1.00 10.33 H new ATOM 69 N LYS A 6 -9.800 -7.182 -15.708 1.00 6.03 N ATOM 70 CA LYS A 6 -9.143 -7.772 -14.511 1.00 4.34 C ATOM 71 C LYS A 6 -9.097 -6.810 -13.323 1.00 3.15 C ATOM 72 O LYS A 6 -9.506 -5.670 -13.412 1.00 3.87 O ATOM 73 CB LYS A 6 -7.707 -8.140 -14.911 1.00 3.90 C ATOM 74 CG LYS A 6 -6.858 -6.865 -15.018 1.00 2.79 C ATOM 75 CD LYS A 6 -5.556 -7.173 -15.777 1.00 2.48 C ATOM 76 CE LYS A 6 -5.862 -7.494 -17.247 1.00 3.15 C ATOM 77 NZ LYS A 6 -4.910 -6.783 -18.148 1.00 3.39 N ATOM 0 H LYS A 6 -9.683 -6.177 -15.834 1.00 6.03 H new ATOM 0 HA LYS A 6 -9.721 -8.640 -14.193 1.00 4.34 H new ATOM 0 HB2 LYS A 6 -7.275 -8.815 -14.173 1.00 3.90 H new ATOM 0 HB3 LYS A 6 -7.709 -8.669 -15.864 1.00 3.90 H new ATOM 0 HG2 LYS A 6 -7.417 -6.086 -15.536 1.00 2.79 H new ATOM 0 HG3 LYS A 6 -6.629 -6.484 -14.023 1.00 2.79 H new ATOM 0 HD2 LYS A 6 -4.881 -6.319 -15.717 1.00 2.48 H new ATOM 0 HD3 LYS A 6 -5.046 -8.016 -15.312 1.00 2.48 H new ATOM 0 HE2 LYS A 6 -5.793 -8.569 -17.412 1.00 3.15 H new ATOM 0 HE3 LYS A 6 -6.884 -7.200 -17.484 1.00 3.15 H new ATOM 0 HZ1 LYS A 6 -5.132 -7.012 -19.138 1.00 3.39 H new ATOM 0 HZ2 LYS A 6 -4.995 -5.757 -18.003 1.00 3.39 H new ATOM 0 HZ3 LYS A 6 -3.938 -7.084 -17.933 1.00 3.39 H new ATOM 91 N CYS A 7 -8.599 -7.321 -12.224 1.00 1.63 N ATOM 92 CA CYS A 7 -8.494 -6.499 -10.986 1.00 0.67 C ATOM 93 C CYS A 7 -7.498 -7.140 -10.019 1.00 0.58 C ATOM 94 O CYS A 7 -6.952 -8.188 -10.307 1.00 0.63 O ATOM 95 CB CYS A 7 -9.873 -6.451 -10.315 1.00 1.77 C ATOM 96 SG CYS A 7 -11.324 -6.631 -11.381 1.00 1.67 S ATOM 0 H CYS A 7 -8.259 -8.279 -12.134 1.00 1.63 H new ATOM 0 HA CYS A 7 -8.154 -5.495 -11.241 1.00 0.67 H new ATOM 0 HB2 CYS A 7 -9.909 -7.238 -9.562 1.00 1.77 H new ATOM 0 HB3 CYS A 7 -9.958 -5.501 -9.788 1.00 1.77 H new ATOM 0 HG CYS A 7 -11.152 -5.940 -12.469 1.00 1.67 H new ATOM 102 N ALA A 8 -7.284 -6.502 -8.895 1.00 0.68 N ATOM 103 CA ALA A 8 -6.323 -7.063 -7.895 1.00 0.58 C ATOM 104 C ALA A 8 -7.006 -7.303 -6.546 1.00 0.41 C ATOM 105 O ALA A 8 -8.165 -6.984 -6.368 1.00 0.45 O ATOM 106 CB ALA A 8 -5.182 -6.058 -7.711 1.00 0.76 C ATOM 0 H ALA A 8 -7.729 -5.624 -8.628 1.00 0.68 H new ATOM 0 HA ALA A 8 -5.947 -8.019 -8.259 1.00 0.58 H new ATOM 0 HB1 ALA A 8 -4.468 -6.447 -6.985 1.00 0.76 H new ATOM 0 HB2 ALA A 8 -4.679 -5.900 -8.665 1.00 0.76 H new ATOM 0 HB3 ALA A 8 -5.585 -5.111 -7.352 1.00 0.76 H new ATOM 112 N VAL A 9 -6.272 -7.871 -5.621 1.00 0.33 N ATOM 113 CA VAL A 9 -6.852 -8.146 -4.278 1.00 0.20 C ATOM 114 C VAL A 9 -5.820 -7.925 -3.176 1.00 0.24 C ATOM 115 O VAL A 9 -4.809 -7.283 -3.370 1.00 0.57 O ATOM 116 CB VAL A 9 -7.253 -9.635 -4.218 1.00 0.16 C ATOM 117 CG1 VAL A 9 -8.686 -9.762 -3.708 1.00 1.98 C ATOM 118 CG2 VAL A 9 -7.145 -10.275 -5.597 1.00 2.23 C ATOM 0 H VAL A 9 -5.299 -8.154 -5.741 1.00 0.33 H new ATOM 0 HA VAL A 9 -7.700 -7.478 -4.129 1.00 0.20 H new ATOM 0 HB VAL A 9 -6.575 -10.150 -3.538 1.00 0.16 H new ATOM 0 HG11 VAL A 9 -8.966 -10.815 -3.667 1.00 1.98 H new ATOM 0 HG12 VAL A 9 -8.757 -9.329 -2.710 1.00 1.98 H new ATOM 0 HG13 VAL A 9 -9.360 -9.233 -4.382 1.00 1.98 H new ATOM 0 HG21 VAL A 9 -7.432 -11.325 -5.534 1.00 2.23 H new ATOM 0 HG22 VAL A 9 -7.808 -9.758 -6.291 1.00 2.23 H new ATOM 0 HG23 VAL A 9 -6.118 -10.200 -5.953 1.00 2.23 H new ATOM 128 N LYS A 10 -6.124 -8.473 -2.036 1.00 0.24 N ATOM 129 CA LYS A 10 -5.223 -8.357 -0.870 1.00 0.23 C ATOM 130 C LYS A 10 -5.635 -9.391 0.184 1.00 0.23 C ATOM 131 O LYS A 10 -6.471 -9.119 1.019 1.00 0.31 O ATOM 132 CB LYS A 10 -5.349 -6.954 -0.271 1.00 0.23 C ATOM 133 CG LYS A 10 -4.224 -6.763 0.745 1.00 0.33 C ATOM 134 CD LYS A 10 -4.470 -5.483 1.539 1.00 0.32 C ATOM 135 CE LYS A 10 -3.130 -4.798 1.816 1.00 0.54 C ATOM 136 NZ LYS A 10 -3.248 -3.870 2.973 1.00 0.84 N ATOM 0 H LYS A 10 -6.977 -9.006 -1.864 1.00 0.24 H new ATOM 0 HA LYS A 10 -4.193 -8.532 -1.181 1.00 0.23 H new ATOM 0 HB2 LYS A 10 -5.285 -6.199 -1.055 1.00 0.23 H new ATOM 0 HB3 LYS A 10 -6.320 -6.832 0.210 1.00 0.23 H new ATOM 0 HG2 LYS A 10 -4.178 -7.619 1.419 1.00 0.33 H new ATOM 0 HG3 LYS A 10 -3.263 -6.708 0.234 1.00 0.33 H new ATOM 0 HD2 LYS A 10 -5.125 -4.815 0.980 1.00 0.32 H new ATOM 0 HD3 LYS A 10 -4.975 -5.714 2.477 1.00 0.32 H new ATOM 0 HE2 LYS A 10 -2.367 -5.549 2.021 1.00 0.54 H new ATOM 0 HE3 LYS A 10 -2.807 -4.248 0.932 1.00 0.54 H new ATOM 0 HZ1 LYS A 10 -2.330 -3.414 3.147 1.00 0.84 H new ATOM 0 HZ2 LYS A 10 -3.962 -3.143 2.764 1.00 0.84 H new ATOM 0 HZ3 LYS A 10 -3.535 -4.404 3.818 1.00 0.84 H new ATOM 150 N ALA A 11 -5.044 -10.554 0.112 1.00 0.17 N ATOM 151 CA ALA A 11 -5.381 -11.629 1.092 1.00 0.18 C ATOM 152 C ALA A 11 -5.582 -11.078 2.496 1.00 0.19 C ATOM 153 O ALA A 11 -4.688 -10.494 3.074 1.00 0.20 O ATOM 154 CB ALA A 11 -4.223 -12.623 1.118 1.00 0.20 C ATOM 0 H ALA A 11 -4.342 -10.807 -0.583 1.00 0.17 H new ATOM 0 HA ALA A 11 -6.314 -12.100 0.782 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.444 -13.420 1.828 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -4.087 -13.049 0.124 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -3.310 -12.110 1.421 1.00 0.20 H new ATOM 160 N LEU A 12 -6.764 -11.273 3.018 1.00 0.21 N ATOM 161 CA LEU A 12 -7.043 -10.770 4.385 1.00 0.19 C ATOM 162 C LEU A 12 -6.504 -11.757 5.404 1.00 0.16 C ATOM 163 O LEU A 12 -6.197 -11.392 6.521 1.00 0.21 O ATOM 164 CB LEU A 12 -8.561 -10.653 4.578 1.00 0.21 C ATOM 165 CG LEU A 12 -9.157 -9.728 3.511 1.00 0.29 C ATOM 166 CD1 LEU A 12 -10.642 -9.529 3.820 1.00 0.56 C ATOM 167 CD2 LEU A 12 -8.452 -8.368 3.555 1.00 0.29 C ATOM 0 H LEU A 12 -7.538 -11.754 2.559 1.00 0.21 H new ATOM 0 HA LEU A 12 -6.568 -9.798 4.518 1.00 0.19 H new ATOM 0 HB2 LEU A 12 -9.021 -11.639 4.514 1.00 0.21 H new ATOM 0 HB3 LEU A 12 -8.780 -10.263 5.572 1.00 0.21 H new ATOM 0 HG LEU A 12 -9.027 -10.169 2.523 1.00 0.29 H new ATOM 0 HD11 LEU A 12 -11.085 -8.873 3.071 1.00 0.56 H new ATOM 0 HD12 LEU A 12 -11.150 -10.493 3.803 1.00 0.56 H new ATOM 0 HD13 LEU A 12 -10.751 -9.079 4.807 1.00 0.56 H new ATOM 0 HD21 LEU A 12 -8.878 -7.713 2.795 1.00 0.29 H new ATOM 0 HD22 LEU A 12 -8.588 -7.919 4.539 1.00 0.29 H new ATOM 0 HD23 LEU A 12 -7.388 -8.503 3.362 1.00 0.29 H new ATOM 179 N PHE A 13 -6.411 -12.993 4.988 1.00 0.10 N ATOM 180 CA PHE A 13 -5.889 -14.046 5.903 1.00 0.06 C ATOM 181 C PHE A 13 -4.633 -14.655 5.295 1.00 0.07 C ATOM 182 O PHE A 13 -4.115 -14.147 4.319 1.00 0.14 O ATOM 183 CB PHE A 13 -6.942 -15.160 6.082 1.00 0.07 C ATOM 184 CG PHE A 13 -8.328 -14.570 6.406 1.00 0.15 C ATOM 185 CD1 PHE A 13 -8.469 -13.411 7.159 1.00 0.20 C ATOM 186 CD2 PHE A 13 -9.467 -15.202 5.938 1.00 0.17 C ATOM 187 CE1 PHE A 13 -9.718 -12.900 7.426 1.00 0.27 C ATOM 188 CE2 PHE A 13 -10.718 -14.686 6.208 1.00 0.24 C ATOM 189 CZ PHE A 13 -10.843 -13.536 6.953 1.00 0.29 C ATOM 0 H PHE A 13 -6.673 -13.316 4.057 1.00 0.10 H new ATOM 0 HA PHE A 13 -5.665 -13.599 6.871 1.00 0.06 H new ATOM 0 HB2 PHE A 13 -7.002 -15.757 5.172 1.00 0.07 H new ATOM 0 HB3 PHE A 13 -6.633 -15.831 6.884 1.00 0.07 H new ATOM 0 HD1 PHE A 13 -7.592 -12.908 7.537 1.00 0.20 H new ATOM 0 HD2 PHE A 13 -9.376 -16.107 5.356 1.00 0.17 H new ATOM 0 HE1 PHE A 13 -9.816 -11.996 8.009 1.00 0.27 H new ATOM 0 HE2 PHE A 13 -11.600 -15.185 5.834 1.00 0.24 H new ATOM 0 HZ PHE A 13 -11.822 -13.133 7.166 1.00 0.29 H new ATOM 199 N ASP A 14 -4.163 -15.725 5.883 1.00 0.10 N ATOM 200 CA ASP A 14 -2.935 -16.380 5.349 1.00 0.21 C ATOM 201 C ASP A 14 -3.237 -17.765 4.786 1.00 0.22 C ATOM 202 O ASP A 14 -4.212 -18.392 5.148 1.00 0.30 O ATOM 203 CB ASP A 14 -1.931 -16.540 6.498 1.00 0.28 C ATOM 204 CG ASP A 14 -2.683 -16.529 7.830 1.00 0.25 C ATOM 205 OD1 ASP A 14 -2.933 -15.432 8.302 1.00 0.23 O ATOM 206 OD2 ASP A 14 -2.972 -17.619 8.295 1.00 0.32 O ATOM 0 H ASP A 14 -4.574 -16.170 6.704 1.00 0.10 H new ATOM 0 HA ASP A 14 -2.536 -15.758 4.548 1.00 0.21 H new ATOM 0 HB2 ASP A 14 -1.379 -17.473 6.387 1.00 0.28 H new ATOM 0 HB3 ASP A 14 -1.200 -15.732 6.473 1.00 0.28 H new ATOM 211 N TYR A 15 -2.379 -18.206 3.904 1.00 0.19 N ATOM 212 CA TYR A 15 -2.562 -19.543 3.280 1.00 0.21 C ATOM 213 C TYR A 15 -1.249 -20.330 3.363 1.00 0.27 C ATOM 214 O TYR A 15 -0.226 -19.782 3.725 1.00 0.32 O ATOM 215 CB TYR A 15 -2.916 -19.330 1.808 1.00 0.16 C ATOM 216 CG TYR A 15 -3.637 -20.560 1.273 1.00 0.17 C ATOM 217 CD1 TYR A 15 -2.931 -21.693 0.952 1.00 0.18 C ATOM 218 CD2 TYR A 15 -5.006 -20.589 1.209 1.00 0.18 C ATOM 219 CE1 TYR A 15 -3.563 -22.841 0.600 1.00 0.20 C ATOM 220 CE2 TYR A 15 -5.665 -21.747 0.841 1.00 0.19 C ATOM 221 CZ TYR A 15 -4.944 -22.893 0.540 1.00 0.19 C ATOM 222 OH TYR A 15 -5.591 -24.077 0.249 1.00 0.21 O ATOM 0 H TYR A 15 -1.556 -17.692 3.589 1.00 0.19 H new ATOM 0 HA TYR A 15 -3.349 -20.095 3.794 1.00 0.21 H new ATOM 0 HB2 TYR A 15 -3.549 -18.449 1.699 1.00 0.16 H new ATOM 0 HB3 TYR A 15 -2.011 -19.146 1.229 1.00 0.16 H new ATOM 0 HD1 TYR A 15 -1.852 -21.670 0.980 1.00 0.18 H new ATOM 0 HD2 TYR A 15 -5.573 -19.701 1.448 1.00 0.18 H new ATOM 0 HE1 TYR A 15 -2.983 -23.721 0.365 1.00 0.20 H new ATOM 0 HE2 TYR A 15 -6.744 -21.759 0.788 1.00 0.19 H new ATOM 0 HH TYR A 15 -6.528 -23.892 0.029 1.00 0.21 H new ATOM 232 N LYS A 16 -1.290 -21.591 3.030 1.00 0.29 N ATOM 233 CA LYS A 16 -0.034 -22.390 3.093 1.00 0.35 C ATOM 234 C LYS A 16 0.035 -23.546 2.074 1.00 0.32 C ATOM 235 O LYS A 16 0.226 -24.689 2.446 1.00 0.43 O ATOM 236 CB LYS A 16 0.112 -22.952 4.513 1.00 0.48 C ATOM 237 CG LYS A 16 -1.261 -23.385 5.026 1.00 2.43 C ATOM 238 CD LYS A 16 -1.092 -24.574 5.973 1.00 2.32 C ATOM 239 CE LYS A 16 -0.224 -24.151 7.161 1.00 2.62 C ATOM 240 NZ LYS A 16 -0.258 -25.193 8.228 1.00 2.81 N ATOM 0 H LYS A 16 -2.122 -22.095 2.723 1.00 0.29 H new ATOM 0 HA LYS A 16 0.783 -21.717 2.834 1.00 0.35 H new ATOM 0 HB2 LYS A 16 0.797 -23.800 4.513 1.00 0.48 H new ATOM 0 HB3 LYS A 16 0.539 -22.197 5.174 1.00 0.48 H new ATOM 0 HG2 LYS A 16 -1.746 -22.558 5.544 1.00 2.43 H new ATOM 0 HG3 LYS A 16 -1.905 -23.659 4.190 1.00 2.43 H new ATOM 0 HD2 LYS A 16 -2.066 -24.917 6.323 1.00 2.32 H new ATOM 0 HD3 LYS A 16 -0.629 -25.410 5.448 1.00 2.32 H new ATOM 0 HE2 LYS A 16 0.803 -23.993 6.831 1.00 2.62 H new ATOM 0 HE3 LYS A 16 -0.580 -23.201 7.560 1.00 2.62 H new ATOM 0 HZ1 LYS A 16 0.336 -24.891 9.027 1.00 2.81 H new ATOM 0 HZ2 LYS A 16 -1.237 -25.324 8.554 1.00 2.81 H new ATOM 0 HZ3 LYS A 16 0.104 -26.091 7.848 1.00 2.81 H new ATOM 254 N ALA A 17 -0.114 -23.228 0.806 1.00 0.18 N ATOM 255 CA ALA A 17 -0.045 -24.302 -0.235 1.00 0.16 C ATOM 256 C ALA A 17 1.304 -24.197 -0.889 1.00 0.14 C ATOM 257 O ALA A 17 1.946 -25.177 -1.200 1.00 0.14 O ATOM 258 CB ALA A 17 -1.070 -24.102 -1.354 1.00 0.16 C ATOM 0 H ALA A 17 -0.278 -22.285 0.453 1.00 0.18 H new ATOM 0 HA ALA A 17 -0.234 -25.257 0.255 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -0.976 -24.908 -2.081 1.00 0.16 H new ATOM 0 HB2 ALA A 17 -2.075 -24.109 -0.932 1.00 0.16 H new ATOM 0 HB3 ALA A 17 -0.889 -23.146 -1.846 1.00 0.16 H new ATOM 264 N GLN A 18 1.663 -22.962 -1.089 1.00 0.15 N ATOM 265 CA GLN A 18 2.967 -22.615 -1.724 1.00 0.15 C ATOM 266 C GLN A 18 2.924 -22.875 -3.216 1.00 0.12 C ATOM 267 O GLN A 18 3.343 -22.051 -4.001 1.00 0.24 O ATOM 268 CB GLN A 18 4.094 -23.462 -1.101 1.00 0.25 C ATOM 269 CG GLN A 18 5.459 -22.848 -1.440 1.00 0.19 C ATOM 270 CD GLN A 18 5.846 -23.247 -2.862 1.00 2.60 C ATOM 271 OE1 GLN A 18 5.663 -24.374 -3.276 1.00 4.32 O ATOM 272 NE2 GLN A 18 6.384 -22.353 -3.643 1.00 4.11 N ATOM 0 H GLN A 18 1.093 -22.156 -0.833 1.00 0.15 H new ATOM 0 HA GLN A 18 3.158 -21.556 -1.552 1.00 0.15 H new ATOM 0 HB2 GLN A 18 3.967 -23.513 -0.020 1.00 0.25 H new ATOM 0 HB3 GLN A 18 4.042 -24.484 -1.476 1.00 0.25 H new ATOM 0 HG2 GLN A 18 5.415 -21.762 -1.353 1.00 0.19 H new ATOM 0 HG3 GLN A 18 6.213 -23.195 -0.734 1.00 0.19 H new ATOM 0 HE21 GLN A 18 6.540 -21.405 -3.301 1.00 4.11 H new ATOM 0 HE22 GLN A 18 6.649 -22.602 -4.596 1.00 4.11 H new ATOM 281 N ARG A 19 2.397 -24.004 -3.581 1.00 0.14 N ATOM 282 CA ARG A 19 2.324 -24.326 -5.028 1.00 0.18 C ATOM 283 C ARG A 19 1.534 -25.605 -5.234 1.00 0.13 C ATOM 284 O ARG A 19 2.097 -26.672 -5.377 1.00 0.21 O ATOM 285 CB ARG A 19 3.755 -24.520 -5.562 1.00 0.43 C ATOM 286 CG ARG A 19 3.738 -24.495 -7.098 1.00 0.76 C ATOM 287 CD ARG A 19 5.163 -24.307 -7.641 1.00 0.81 C ATOM 288 NE ARG A 19 6.154 -24.515 -6.544 1.00 1.24 N ATOM 289 CZ ARG A 19 7.122 -25.375 -6.711 1.00 1.64 C ATOM 290 NH1 ARG A 19 6.857 -26.520 -7.278 1.00 1.64 N ATOM 291 NH2 ARG A 19 8.322 -25.061 -6.307 1.00 3.75 N ATOM 0 H ARG A 19 2.018 -24.710 -2.950 1.00 0.14 H new ATOM 0 HA ARG A 19 1.829 -23.513 -5.560 1.00 0.18 H new ATOM 0 HB2 ARG A 19 4.406 -23.732 -5.182 1.00 0.43 H new ATOM 0 HB3 ARG A 19 4.161 -25.467 -5.208 1.00 0.43 H new ATOM 0 HG2 ARG A 19 3.315 -25.424 -7.480 1.00 0.76 H new ATOM 0 HG3 ARG A 19 3.098 -23.686 -7.449 1.00 0.76 H new ATOM 0 HD2 ARG A 19 5.350 -25.013 -8.451 1.00 0.81 H new ATOM 0 HD3 ARG A 19 5.274 -23.306 -8.059 1.00 0.81 H new ATOM 0 HE ARG A 19 6.076 -23.990 -5.673 1.00 1.24 H new ATOM 0 HH11 ARG A 19 5.906 -26.731 -7.582 1.00 1.64 H new ATOM 0 HH12 ARG A 19 7.600 -27.204 -7.417 1.00 1.64 H new ATOM 0 HH21 ARG A 19 8.492 -24.156 -5.869 1.00 3.75 H new ATOM 0 HH22 ARG A 19 9.090 -25.721 -6.429 1.00 3.75 H new ATOM 305 N GLU A 20 0.237 -25.474 -5.234 1.00 0.08 N ATOM 306 CA GLU A 20 -0.605 -26.683 -5.433 1.00 0.13 C ATOM 307 C GLU A 20 -1.870 -26.316 -6.137 1.00 0.17 C ATOM 308 O GLU A 20 -2.891 -26.941 -5.956 1.00 0.39 O ATOM 309 CB GLU A 20 -0.973 -27.249 -4.060 1.00 0.12 C ATOM 310 CG GLU A 20 -2.199 -26.516 -3.466 1.00 0.10 C ATOM 311 CD GLU A 20 -3.452 -27.391 -3.581 1.00 0.28 C ATOM 312 OE1 GLU A 20 -3.381 -28.505 -3.092 1.00 0.38 O ATOM 313 OE2 GLU A 20 -4.409 -26.890 -4.151 1.00 0.32 O ATOM 0 H GLU A 20 -0.269 -24.597 -5.107 1.00 0.08 H new ATOM 0 HA GLU A 20 -0.053 -27.413 -6.026 1.00 0.13 H new ATOM 0 HB2 GLU A 20 -1.189 -28.314 -4.148 1.00 0.12 H new ATOM 0 HB3 GLU A 20 -0.124 -27.151 -3.383 1.00 0.12 H new ATOM 0 HG2 GLU A 20 -2.013 -26.272 -2.420 1.00 0.10 H new ATOM 0 HG3 GLU A 20 -2.356 -25.573 -3.990 1.00 0.10 H new ATOM 320 N ASP A 21 -1.768 -25.361 -6.976 1.00 0.19 N ATOM 321 CA ASP A 21 -2.969 -24.936 -7.684 1.00 0.18 C ATOM 322 C ASP A 21 -3.688 -24.200 -6.583 1.00 0.14 C ATOM 323 O ASP A 21 -4.866 -24.325 -6.362 1.00 0.13 O ATOM 324 CB ASP A 21 -3.791 -26.134 -8.186 1.00 0.21 C ATOM 325 CG ASP A 21 -4.422 -25.776 -9.534 1.00 2.40 C ATOM 326 OD1 ASP A 21 -3.693 -25.229 -10.347 1.00 2.75 O ATOM 327 OD2 ASP A 21 -5.599 -26.064 -9.675 1.00 3.82 O ATOM 0 H ASP A 21 -0.911 -24.857 -7.204 1.00 0.19 H new ATOM 0 HA ASP A 21 -2.779 -24.348 -8.582 1.00 0.18 H new ATOM 0 HB2 ASP A 21 -3.153 -27.011 -8.290 1.00 0.21 H new ATOM 0 HB3 ASP A 21 -4.566 -26.388 -7.463 1.00 0.21 H new ATOM 332 N GLU A 22 -2.813 -23.605 -5.809 1.00 0.12 N ATOM 333 CA GLU A 22 -3.148 -22.783 -4.617 1.00 0.10 C ATOM 334 C GLU A 22 -1.781 -22.379 -4.025 1.00 0.11 C ATOM 335 O GLU A 22 -0.859 -23.163 -4.116 1.00 0.21 O ATOM 336 CB GLU A 22 -3.976 -23.606 -3.605 1.00 0.08 C ATOM 337 CG GLU A 22 -5.139 -22.768 -3.071 1.00 0.16 C ATOM 338 CD GLU A 22 -6.053 -23.651 -2.227 1.00 0.16 C ATOM 339 OE1 GLU A 22 -5.875 -24.855 -2.315 1.00 0.30 O ATOM 340 OE2 GLU A 22 -6.876 -23.073 -1.537 1.00 0.60 O ATOM 0 H GLU A 22 -1.809 -23.667 -5.977 1.00 0.12 H new ATOM 0 HA GLU A 22 -3.755 -21.913 -4.867 1.00 0.10 H new ATOM 0 HB2 GLU A 22 -4.357 -24.508 -4.084 1.00 0.08 H new ATOM 0 HB3 GLU A 22 -3.341 -23.928 -2.780 1.00 0.08 H new ATOM 0 HG2 GLU A 22 -4.760 -21.940 -2.472 1.00 0.16 H new ATOM 0 HG3 GLU A 22 -5.698 -22.333 -3.899 1.00 0.16 H new ATOM 347 N LEU A 23 -1.634 -21.187 -3.472 1.00 0.20 N ATOM 348 CA LEU A 23 -0.276 -20.820 -2.904 1.00 0.20 C ATOM 349 C LEU A 23 -0.322 -20.526 -1.420 1.00 0.21 C ATOM 350 O LEU A 23 -1.375 -20.424 -0.838 1.00 0.22 O ATOM 351 CB LEU A 23 0.302 -19.557 -3.572 1.00 0.27 C ATOM 352 CG LEU A 23 -0.285 -19.353 -4.969 1.00 0.34 C ATOM 353 CD1 LEU A 23 -0.982 -17.987 -5.119 1.00 0.35 C ATOM 354 CD2 LEU A 23 0.868 -19.467 -5.962 1.00 0.37 C ATOM 0 H LEU A 23 -2.361 -20.476 -3.389 1.00 0.20 H new ATOM 0 HA LEU A 23 0.347 -21.693 -3.099 1.00 0.20 H new ATOM 0 HB2 LEU A 23 0.088 -18.685 -2.954 1.00 0.27 H new ATOM 0 HB3 LEU A 23 1.387 -19.642 -3.639 1.00 0.27 H new ATOM 0 HG LEU A 23 -1.050 -20.108 -5.153 1.00 0.34 H new ATOM 0 HD11 LEU A 23 -1.382 -17.891 -6.129 1.00 0.35 H new ATOM 0 HD12 LEU A 23 -1.796 -17.913 -4.398 1.00 0.35 H new ATOM 0 HD13 LEU A 23 -0.262 -17.189 -4.937 1.00 0.35 H new ATOM 0 HD21 LEU A 23 0.491 -19.327 -6.975 1.00 0.37 H new ATOM 0 HD22 LEU A 23 1.613 -18.702 -5.743 1.00 0.37 H new ATOM 0 HD23 LEU A 23 1.325 -20.453 -5.878 1.00 0.37 H new ATOM 366 N THR A 24 0.848 -20.321 -0.860 1.00 0.27 N ATOM 367 CA THR A 24 0.948 -20.026 0.584 1.00 0.29 C ATOM 368 C THR A 24 0.963 -18.541 0.787 1.00 0.28 C ATOM 369 O THR A 24 1.481 -18.045 1.768 1.00 0.30 O ATOM 370 CB THR A 24 2.264 -20.594 1.128 1.00 0.32 C ATOM 371 OG1 THR A 24 2.354 -20.136 2.466 1.00 0.36 O ATOM 372 CG2 THR A 24 3.458 -19.937 0.446 1.00 0.31 C ATOM 0 H THR A 24 1.739 -20.348 -1.356 1.00 0.27 H new ATOM 0 HA THR A 24 0.098 -20.472 1.101 1.00 0.29 H new ATOM 0 HB THR A 24 2.275 -21.675 0.992 1.00 0.32 H new ATOM 0 HG1 THR A 24 2.511 -19.169 2.471 1.00 0.36 H new ATOM 0 HG21 THR A 24 4.381 -20.355 0.847 1.00 0.31 H new ATOM 0 HG22 THR A 24 3.412 -20.123 -0.627 1.00 0.31 H new ATOM 0 HG23 THR A 24 3.436 -18.863 0.630 1.00 0.31 H new ATOM 380 N PHE A 25 0.413 -17.857 -0.164 1.00 0.27 N ATOM 381 CA PHE A 25 0.381 -16.394 -0.048 1.00 0.26 C ATOM 382 C PHE A 25 -0.076 -16.045 1.361 1.00 0.23 C ATOM 383 O PHE A 25 -0.914 -16.721 1.926 1.00 0.22 O ATOM 384 CB PHE A 25 -0.570 -15.843 -1.097 1.00 0.23 C ATOM 385 CG PHE A 25 -1.933 -16.474 -0.937 1.00 0.22 C ATOM 386 CD1 PHE A 25 -2.806 -16.024 0.026 1.00 0.22 C ATOM 387 CD2 PHE A 25 -2.309 -17.495 -1.773 1.00 0.27 C ATOM 388 CE1 PHE A 25 -4.055 -16.596 0.140 1.00 0.28 C ATOM 389 CE2 PHE A 25 -3.528 -18.069 -1.670 1.00 0.34 C ATOM 390 CZ PHE A 25 -4.410 -17.627 -0.709 1.00 0.36 C ATOM 0 H PHE A 25 -0.010 -18.246 -1.006 1.00 0.27 H new ATOM 0 HA PHE A 25 1.364 -15.954 -0.218 1.00 0.26 H new ATOM 0 HB2 PHE A 25 -0.647 -14.760 -0.998 1.00 0.23 H new ATOM 0 HB3 PHE A 25 -0.181 -16.045 -2.095 1.00 0.23 H new ATOM 0 HD1 PHE A 25 -2.514 -15.225 0.691 1.00 0.22 H new ATOM 0 HD2 PHE A 25 -1.619 -17.846 -2.526 1.00 0.27 H new ATOM 0 HE1 PHE A 25 -4.750 -16.241 0.887 1.00 0.28 H new ATOM 0 HE2 PHE A 25 -3.809 -18.870 -2.338 1.00 0.34 H new ATOM 0 HZ PHE A 25 -5.383 -18.088 -0.619 1.00 0.36 H new ATOM 400 N ILE A 26 0.478 -15.005 1.896 1.00 0.23 N ATOM 401 CA ILE A 26 0.102 -14.599 3.273 1.00 0.19 C ATOM 402 C ILE A 26 -0.733 -13.335 3.322 1.00 0.13 C ATOM 403 O ILE A 26 -0.959 -12.687 2.322 1.00 0.16 O ATOM 404 CB ILE A 26 1.399 -14.322 4.013 1.00 0.17 C ATOM 405 CG1 ILE A 26 2.290 -13.432 3.143 1.00 0.16 C ATOM 406 CG2 ILE A 26 2.100 -15.665 4.257 1.00 0.19 C ATOM 407 CD1 ILE A 26 3.398 -12.817 4.006 1.00 0.31 C ATOM 0 H ILE A 26 1.176 -14.416 1.442 1.00 0.23 H new ATOM 0 HA ILE A 26 -0.496 -15.397 3.712 1.00 0.19 H new ATOM 0 HB ILE A 26 1.204 -13.819 4.960 1.00 0.17 H new ATOM 0 HG12 ILE A 26 2.727 -14.017 2.334 1.00 0.16 H new ATOM 0 HG13 ILE A 26 1.695 -12.644 2.681 1.00 0.16 H new ATOM 0 HG21 ILE A 26 3.037 -15.495 4.788 1.00 0.19 H new ATOM 0 HG22 ILE A 26 1.455 -16.309 4.855 1.00 0.19 H new ATOM 0 HG23 ILE A 26 2.307 -16.146 3.301 1.00 0.19 H new ATOM 0 HD11 ILE A 26 4.032 -12.183 3.386 1.00 0.31 H new ATOM 0 HD12 ILE A 26 2.951 -12.218 4.799 1.00 0.31 H new ATOM 0 HD13 ILE A 26 3.999 -13.612 4.447 1.00 0.31 H new ATOM 419 N LYS A 27 -1.175 -13.021 4.510 1.00 0.06 N ATOM 420 CA LYS A 27 -1.987 -11.820 4.683 1.00 0.06 C ATOM 421 C LYS A 27 -1.230 -10.658 4.108 1.00 0.09 C ATOM 422 O LYS A 27 -0.053 -10.495 4.353 1.00 0.22 O ATOM 423 CB LYS A 27 -2.194 -11.581 6.187 1.00 0.21 C ATOM 424 CG LYS A 27 -3.038 -10.308 6.408 1.00 0.29 C ATOM 425 CD LYS A 27 -2.892 -9.845 7.866 1.00 1.51 C ATOM 426 CE LYS A 27 -3.589 -10.836 8.810 1.00 2.19 C ATOM 427 NZ LYS A 27 -2.593 -11.521 9.685 1.00 2.87 N ATOM 0 H LYS A 27 -0.999 -13.556 5.360 1.00 0.06 H new ATOM 0 HA LYS A 27 -2.951 -11.931 4.186 1.00 0.06 H new ATOM 0 HB2 LYS A 27 -2.693 -12.440 6.635 1.00 0.21 H new ATOM 0 HB3 LYS A 27 -1.229 -11.478 6.683 1.00 0.21 H new ATOM 0 HG2 LYS A 27 -2.711 -9.520 5.730 1.00 0.29 H new ATOM 0 HG3 LYS A 27 -4.085 -10.509 6.182 1.00 0.29 H new ATOM 0 HD2 LYS A 27 -1.836 -9.765 8.126 1.00 1.51 H new ATOM 0 HD3 LYS A 27 -3.326 -8.852 7.985 1.00 1.51 H new ATOM 0 HE2 LYS A 27 -4.318 -10.309 9.425 1.00 2.19 H new ATOM 0 HE3 LYS A 27 -4.138 -11.576 8.228 1.00 2.19 H new ATOM 0 HZ1 LYS A 27 -3.084 -12.186 10.315 1.00 2.87 H new ATOM 0 HZ2 LYS A 27 -1.912 -12.041 9.095 1.00 2.87 H new ATOM 0 HZ3 LYS A 27 -2.087 -10.813 10.255 1.00 2.87 H new ATOM 441 N SER A 28 -1.939 -9.911 3.342 1.00 0.21 N ATOM 442 CA SER A 28 -1.381 -8.711 2.678 1.00 0.24 C ATOM 443 C SER A 28 -0.851 -9.054 1.298 1.00 0.18 C ATOM 444 O SER A 28 -0.521 -8.178 0.529 1.00 0.18 O ATOM 445 CB SER A 28 -0.233 -8.099 3.496 1.00 0.33 C ATOM 446 OG SER A 28 -0.633 -8.253 4.850 1.00 2.57 O ATOM 0 H SER A 28 -2.923 -10.083 3.136 1.00 0.21 H new ATOM 0 HA SER A 28 -2.194 -7.990 2.597 1.00 0.24 H new ATOM 0 HB2 SER A 28 0.709 -8.611 3.301 1.00 0.33 H new ATOM 0 HB3 SER A 28 -0.083 -7.049 3.244 1.00 0.33 H new ATOM 0 HG SER A 28 -0.099 -8.959 5.271 1.00 2.57 H new ATOM 452 N ALA A 29 -0.749 -10.322 1.012 1.00 0.14 N ATOM 453 CA ALA A 29 -0.243 -10.708 -0.325 1.00 0.16 C ATOM 454 C ALA A 29 -1.115 -10.021 -1.364 1.00 0.16 C ATOM 455 O ALA A 29 -2.281 -9.814 -1.116 1.00 0.23 O ATOM 456 CB ALA A 29 -0.372 -12.230 -0.473 1.00 0.16 C ATOM 0 H ALA A 29 -0.990 -11.092 1.636 1.00 0.14 H new ATOM 0 HA ALA A 29 0.799 -10.417 -0.453 1.00 0.16 H new ATOM 0 HB1 ALA A 29 -0.004 -12.533 -1.453 1.00 0.16 H new ATOM 0 HB2 ALA A 29 0.214 -12.722 0.303 1.00 0.16 H new ATOM 0 HB3 ALA A 29 -1.419 -12.518 -0.374 1.00 0.16 H new ATOM 462 N ILE A 30 -0.560 -9.693 -2.503 1.00 0.11 N ATOM 463 CA ILE A 30 -1.385 -9.019 -3.533 1.00 0.13 C ATOM 464 C ILE A 30 -1.306 -9.764 -4.854 1.00 0.10 C ATOM 465 O ILE A 30 -0.365 -9.619 -5.608 1.00 0.14 O ATOM 466 CB ILE A 30 -0.854 -7.599 -3.723 1.00 0.19 C ATOM 467 CG1 ILE A 30 -0.357 -7.034 -2.390 1.00 0.30 C ATOM 468 CG2 ILE A 30 -2.020 -6.727 -4.199 1.00 0.19 C ATOM 469 CD1 ILE A 30 1.100 -7.453 -2.146 1.00 2.12 C ATOM 0 H ILE A 30 0.414 -9.862 -2.756 1.00 0.11 H new ATOM 0 HA ILE A 30 -2.425 -9.002 -3.208 1.00 0.13 H new ATOM 0 HB ILE A 30 -0.033 -7.608 -4.440 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -0.434 -5.947 -2.396 1.00 0.30 H new ATOM 0 HG13 ILE A 30 -0.987 -7.394 -1.577 1.00 0.30 H new ATOM 0 HG21 ILE A 30 -1.673 -5.704 -4.345 1.00 0.19 H new ATOM 0 HG22 ILE A 30 -2.405 -7.117 -5.141 1.00 0.19 H new ATOM 0 HG23 ILE A 30 -2.812 -6.739 -3.450 1.00 0.19 H new ATOM 0 HD11 ILE A 30 1.442 -7.045 -1.195 1.00 2.12 H new ATOM 0 HD12 ILE A 30 1.166 -8.541 -2.119 1.00 2.12 H new ATOM 0 HD13 ILE A 30 1.728 -7.071 -2.951 1.00 2.12 H new ATOM 481 N ILE A 31 -2.311 -10.546 -5.104 1.00 0.14 N ATOM 482 CA ILE A 31 -2.343 -11.326 -6.361 1.00 0.12 C ATOM 483 C ILE A 31 -2.982 -10.485 -7.478 1.00 0.14 C ATOM 484 O ILE A 31 -3.873 -9.703 -7.212 1.00 0.29 O ATOM 485 CB ILE A 31 -3.167 -12.581 -6.083 1.00 0.24 C ATOM 486 CG1 ILE A 31 -2.532 -13.348 -4.899 1.00 0.32 C ATOM 487 CG2 ILE A 31 -3.163 -13.454 -7.354 1.00 0.27 C ATOM 488 CD1 ILE A 31 -3.599 -14.173 -4.189 1.00 0.35 C ATOM 0 H ILE A 31 -3.114 -10.678 -4.489 1.00 0.14 H new ATOM 0 HA ILE A 31 -1.339 -11.597 -6.689 1.00 0.12 H new ATOM 0 HB ILE A 31 -4.194 -12.322 -5.823 1.00 0.24 H new ATOM 0 HG12 ILE A 31 -1.736 -13.999 -5.260 1.00 0.32 H new ATOM 0 HG13 ILE A 31 -2.077 -12.646 -4.200 1.00 0.32 H new ATOM 0 HG21 ILE A 31 -3.747 -14.357 -7.177 1.00 0.27 H new ATOM 0 HG22 ILE A 31 -3.601 -12.895 -8.181 1.00 0.27 H new ATOM 0 HG23 ILE A 31 -2.138 -13.728 -7.604 1.00 0.27 H new ATOM 0 HD11 ILE A 31 -3.148 -14.712 -3.356 1.00 0.35 H new ATOM 0 HD12 ILE A 31 -4.380 -13.512 -3.813 1.00 0.35 H new ATOM 0 HD13 ILE A 31 -4.033 -14.886 -4.889 1.00 0.35 H new ATOM 500 N GLN A 32 -2.523 -10.657 -8.703 1.00 0.21 N ATOM 501 CA GLN A 32 -3.107 -9.860 -9.832 1.00 0.28 C ATOM 502 C GLN A 32 -3.828 -10.771 -10.819 1.00 0.23 C ATOM 503 O GLN A 32 -3.724 -11.977 -10.728 1.00 0.26 O ATOM 504 CB GLN A 32 -1.960 -9.154 -10.573 1.00 0.52 C ATOM 505 CG GLN A 32 -1.489 -7.936 -9.768 1.00 0.98 C ATOM 506 CD GLN A 32 0.006 -8.077 -9.481 1.00 1.33 C ATOM 507 OE1 GLN A 32 0.811 -8.226 -10.379 1.00 1.58 O ATOM 508 NE2 GLN A 32 0.416 -8.036 -8.243 1.00 2.44 N ATOM 0 H GLN A 32 -1.780 -11.306 -8.964 1.00 0.21 H new ATOM 0 HA GLN A 32 -3.819 -9.141 -9.427 1.00 0.28 H new ATOM 0 HB2 GLN A 32 -1.131 -9.846 -10.721 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -2.293 -8.840 -11.562 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -1.680 -7.019 -10.326 1.00 0.98 H new ATOM 0 HG3 GLN A 32 -2.046 -7.863 -8.834 1.00 0.98 H new ATOM 0 HE21 GLN A 32 -0.257 -7.911 -7.487 1.00 2.44 H new ATOM 0 HE22 GLN A 32 1.409 -8.129 -8.031 1.00 2.44 H new ATOM 517 N ASN A 33 -4.539 -10.186 -11.750 1.00 0.25 N ATOM 518 CA ASN A 33 -5.257 -11.037 -12.729 1.00 0.38 C ATOM 519 C ASN A 33 -6.071 -12.034 -11.946 1.00 0.39 C ATOM 520 O ASN A 33 -5.595 -13.094 -11.603 1.00 0.42 O ATOM 521 CB ASN A 33 -4.229 -11.764 -13.601 1.00 0.55 C ATOM 522 CG ASN A 33 -4.918 -12.297 -14.858 1.00 0.99 C ATOM 523 OD1 ASN A 33 -5.106 -13.486 -15.016 1.00 3.37 O ATOM 524 ND2 ASN A 33 -5.312 -11.453 -15.773 1.00 0.66 N ATOM 0 H ASN A 33 -4.649 -9.179 -11.869 1.00 0.25 H new ATOM 0 HA ASN A 33 -5.906 -10.444 -13.373 1.00 0.38 H new ATOM 0 HB2 ASN A 33 -3.422 -11.084 -13.875 1.00 0.55 H new ATOM 0 HB3 ASN A 33 -3.778 -12.585 -13.044 1.00 0.55 H new ATOM 0 HD21 ASN A 33 -5.775 -11.794 -16.615 1.00 0.66 H new ATOM 0 HD22 ASN A 33 -5.157 -10.453 -15.645 1.00 0.66 H new ATOM 531 N VAL A 34 -7.294 -11.670 -11.693 1.00 0.38 N ATOM 532 CA VAL A 34 -8.169 -12.577 -10.920 1.00 0.43 C ATOM 533 C VAL A 34 -9.525 -12.862 -11.568 1.00 0.53 C ATOM 534 O VAL A 34 -9.963 -12.161 -12.460 1.00 0.60 O ATOM 535 CB VAL A 34 -8.338 -11.867 -9.574 1.00 0.37 C ATOM 536 CG1 VAL A 34 -9.809 -11.760 -9.160 1.00 0.43 C ATOM 537 CG2 VAL A 34 -7.551 -12.630 -8.535 1.00 0.38 C ATOM 0 H VAL A 34 -7.719 -10.791 -11.987 1.00 0.38 H new ATOM 0 HA VAL A 34 -7.719 -13.567 -10.845 1.00 0.43 H new ATOM 0 HB VAL A 34 -7.965 -10.847 -9.664 1.00 0.37 H new ATOM 0 HG11 VAL A 34 -9.880 -11.250 -8.200 1.00 0.43 H new ATOM 0 HG12 VAL A 34 -10.359 -11.195 -9.913 1.00 0.43 H new ATOM 0 HG13 VAL A 34 -10.236 -12.759 -9.073 1.00 0.43 H new ATOM 0 HG21 VAL A 34 -7.657 -12.141 -7.567 1.00 0.38 H new ATOM 0 HG22 VAL A 34 -7.928 -13.650 -8.470 1.00 0.38 H new ATOM 0 HG23 VAL A 34 -6.499 -12.650 -8.818 1.00 0.38 H new ATOM 547 N GLU A 35 -10.151 -13.907 -11.079 1.00 0.52 N ATOM 548 CA GLU A 35 -11.481 -14.315 -11.604 1.00 0.61 C ATOM 549 C GLU A 35 -12.089 -15.434 -10.743 1.00 0.42 C ATOM 550 O GLU A 35 -11.717 -16.585 -10.881 1.00 0.30 O ATOM 551 CB GLU A 35 -11.279 -14.862 -13.025 1.00 0.78 C ATOM 552 CG GLU A 35 -11.964 -13.941 -14.035 1.00 1.22 C ATOM 553 CD GLU A 35 -11.855 -14.562 -15.430 1.00 1.50 C ATOM 554 OE1 GLU A 35 -11.541 -15.739 -15.475 1.00 2.58 O ATOM 555 OE2 GLU A 35 -12.089 -13.823 -16.373 1.00 0.79 O ATOM 0 H GLU A 35 -9.788 -14.497 -10.330 1.00 0.52 H new ATOM 0 HA GLU A 35 -12.151 -13.455 -11.591 1.00 0.61 H new ATOM 0 HB2 GLU A 35 -10.215 -14.935 -13.249 1.00 0.78 H new ATOM 0 HB3 GLU A 35 -11.690 -15.869 -13.099 1.00 0.78 H new ATOM 0 HG2 GLU A 35 -13.011 -13.800 -13.766 1.00 1.22 H new ATOM 0 HG3 GLU A 35 -11.497 -12.956 -14.024 1.00 1.22 H new ATOM 562 N LYS A 36 -12.990 -15.079 -9.850 1.00 0.46 N ATOM 563 CA LYS A 36 -13.620 -16.130 -8.984 1.00 0.39 C ATOM 564 C LYS A 36 -13.994 -17.323 -9.850 1.00 0.24 C ATOM 565 O LYS A 36 -13.972 -17.224 -11.061 1.00 0.34 O ATOM 566 CB LYS A 36 -14.901 -15.576 -8.320 1.00 0.51 C ATOM 567 CG LYS A 36 -15.163 -14.112 -8.715 1.00 0.70 C ATOM 568 CD LYS A 36 -14.203 -13.181 -7.963 1.00 2.51 C ATOM 569 CE LYS A 36 -14.342 -11.766 -8.530 1.00 2.68 C ATOM 570 NZ LYS A 36 -13.909 -11.729 -9.955 1.00 3.39 N ATOM 0 H LYS A 36 -13.310 -14.125 -9.686 1.00 0.46 H new ATOM 0 HA LYS A 36 -12.913 -16.426 -8.210 1.00 0.39 H new ATOM 0 HB2 LYS A 36 -15.755 -16.189 -8.610 1.00 0.51 H new ATOM 0 HB3 LYS A 36 -14.809 -15.649 -7.236 1.00 0.51 H new ATOM 0 HG2 LYS A 36 -15.033 -13.989 -9.790 1.00 0.70 H new ATOM 0 HG3 LYS A 36 -16.195 -13.845 -8.486 1.00 0.70 H new ATOM 0 HD2 LYS A 36 -14.431 -13.185 -6.897 1.00 2.51 H new ATOM 0 HD3 LYS A 36 -13.176 -13.531 -8.070 1.00 2.51 H new ATOM 0 HE2 LYS A 36 -15.378 -11.436 -8.450 1.00 2.68 H new ATOM 0 HE3 LYS A 36 -13.740 -11.072 -7.943 1.00 2.68 H new ATOM 0 HZ1 LYS A 36 -13.799 -10.740 -10.259 1.00 3.39 H new ATOM 0 HZ2 LYS A 36 -13.001 -12.225 -10.055 1.00 3.39 H new ATOM 0 HZ3 LYS A 36 -14.625 -12.195 -10.548 1.00 3.39 H new ATOM 584 N GLN A 37 -14.342 -18.434 -9.251 1.00 0.30 N ATOM 585 CA GLN A 37 -14.694 -19.574 -10.128 1.00 0.36 C ATOM 586 C GLN A 37 -15.530 -20.678 -9.463 1.00 0.52 C ATOM 587 O GLN A 37 -15.279 -21.097 -8.349 1.00 0.38 O ATOM 588 CB GLN A 37 -13.376 -20.158 -10.640 1.00 0.32 C ATOM 589 CG GLN A 37 -13.567 -20.560 -12.109 1.00 0.81 C ATOM 590 CD GLN A 37 -13.631 -19.302 -12.976 1.00 1.32 C ATOM 591 OE1 GLN A 37 -14.542 -19.120 -13.761 1.00 0.85 O ATOM 592 NE2 GLN A 37 -12.685 -18.410 -12.870 1.00 3.56 N ATOM 0 H GLN A 37 -14.395 -18.592 -8.245 1.00 0.30 H new ATOM 0 HA GLN A 37 -15.334 -19.193 -10.924 1.00 0.36 H new ATOM 0 HB2 GLN A 37 -12.574 -19.425 -10.548 1.00 0.32 H new ATOM 0 HB3 GLN A 37 -13.087 -21.023 -10.044 1.00 0.32 H new ATOM 0 HG2 GLN A 37 -12.744 -21.197 -12.433 1.00 0.81 H new ATOM 0 HG3 GLN A 37 -14.483 -21.140 -12.223 1.00 0.81 H new ATOM 0 HE21 GLN A 37 -11.918 -18.556 -12.214 1.00 3.56 H new ATOM 0 HE22 GLN A 37 -12.713 -17.567 -13.443 1.00 3.56 H new ATOM 601 N GLU A 38 -16.498 -21.115 -10.233 1.00 0.84 N ATOM 602 CA GLU A 38 -17.462 -22.190 -9.828 1.00 1.10 C ATOM 603 C GLU A 38 -17.379 -22.648 -8.371 1.00 0.09 C ATOM 604 O GLU A 38 -17.293 -23.830 -8.108 1.00 0.71 O ATOM 605 CB GLU A 38 -17.180 -23.404 -10.714 1.00 2.07 C ATOM 606 CG GLU A 38 -17.434 -23.031 -12.175 1.00 2.97 C ATOM 607 CD GLU A 38 -18.626 -23.833 -12.700 1.00 3.35 C ATOM 608 OE1 GLU A 38 -19.727 -23.483 -12.307 1.00 5.08 O ATOM 609 OE2 GLU A 38 -18.369 -24.748 -13.464 1.00 2.50 O ATOM 0 H GLU A 38 -16.666 -20.752 -11.171 1.00 0.84 H new ATOM 0 HA GLU A 38 -18.459 -21.764 -9.945 1.00 1.10 H new ATOM 0 HB2 GLU A 38 -16.149 -23.732 -10.584 1.00 2.07 H new ATOM 0 HB3 GLU A 38 -17.819 -24.238 -10.423 1.00 2.07 H new ATOM 0 HG2 GLU A 38 -17.633 -21.963 -12.260 1.00 2.97 H new ATOM 0 HG3 GLU A 38 -16.548 -23.239 -12.775 1.00 2.97 H new ATOM 616 N GLY A 39 -17.410 -21.735 -7.445 1.00 0.73 N ATOM 617 CA GLY A 39 -17.339 -22.181 -6.021 1.00 1.63 C ATOM 618 C GLY A 39 -16.830 -21.069 -5.110 1.00 1.72 C ATOM 619 O GLY A 39 -16.938 -21.160 -3.903 1.00 3.69 O ATOM 0 H GLY A 39 -17.479 -20.729 -7.599 1.00 0.73 H new ATOM 0 HA2 GLY A 39 -18.327 -22.500 -5.689 1.00 1.63 H new ATOM 0 HA3 GLY A 39 -16.681 -23.047 -5.942 1.00 1.63 H new ATOM 623 N GLY A 40 -16.275 -20.051 -5.700 1.00 0.67 N ATOM 624 CA GLY A 40 -15.753 -18.930 -4.876 1.00 0.50 C ATOM 625 C GLY A 40 -14.248 -19.100 -4.693 1.00 0.35 C ATOM 626 O GLY A 40 -13.736 -19.005 -3.592 1.00 0.45 O ATOM 0 H GLY A 40 -16.161 -19.946 -6.708 1.00 0.67 H new ATOM 0 HA2 GLY A 40 -15.967 -17.977 -5.360 1.00 0.50 H new ATOM 0 HA3 GLY A 40 -16.250 -18.914 -3.906 1.00 0.50 H new ATOM 630 N TRP A 41 -13.580 -19.344 -5.790 1.00 0.31 N ATOM 631 CA TRP A 41 -12.106 -19.532 -5.748 1.00 0.35 C ATOM 632 C TRP A 41 -11.527 -18.559 -6.736 1.00 0.40 C ATOM 633 O TRP A 41 -12.084 -18.366 -7.786 1.00 0.46 O ATOM 634 CB TRP A 41 -11.797 -20.996 -6.035 1.00 0.50 C ATOM 635 CG TRP A 41 -12.403 -21.711 -4.833 1.00 0.46 C ATOM 636 CD1 TRP A 41 -13.720 -21.916 -4.708 1.00 0.44 C ATOM 637 CD2 TRP A 41 -11.826 -21.810 -3.626 1.00 0.44 C ATOM 638 NE1 TRP A 41 -13.905 -22.097 -3.402 1.00 0.39 N ATOM 639 CE2 TRP A 41 -12.782 -22.034 -2.650 1.00 0.39 C ATOM 640 CE3 TRP A 41 -10.499 -21.689 -3.262 1.00 0.46 C ATOM 641 CZ2 TRP A 41 -12.420 -22.105 -1.317 1.00 0.35 C ATOM 642 CZ3 TRP A 41 -10.134 -21.774 -1.933 1.00 0.44 C ATOM 643 CH2 TRP A 41 -11.101 -21.973 -0.951 1.00 0.39 C ATOM 0 H TRP A 41 -13.998 -19.421 -6.717 1.00 0.31 H new ATOM 0 HA TRP A 41 -11.658 -19.324 -4.776 1.00 0.35 H new ATOM 0 HB2 TRP A 41 -12.245 -21.328 -6.971 1.00 0.50 H new ATOM 0 HB3 TRP A 41 -10.725 -21.175 -6.114 1.00 0.50 H new ATOM 0 HD1 TRP A 41 -14.465 -21.931 -5.490 1.00 0.44 H new ATOM 0 HE1 TRP A 41 -14.825 -22.270 -2.998 1.00 0.39 H new ATOM 0 HE3 TRP A 41 -9.745 -21.528 -4.019 1.00 0.46 H new ATOM 0 HZ2 TRP A 41 -13.175 -22.265 -0.562 1.00 0.35 H new ATOM 0 HZ3 TRP A 41 -9.094 -21.686 -1.654 1.00 0.44 H new ATOM 0 HH2 TRP A 41 -10.817 -22.023 0.090 1.00 0.39 H new ATOM 654 N TRP A 42 -10.422 -17.982 -6.391 1.00 0.39 N ATOM 655 CA TRP A 42 -9.801 -16.992 -7.291 1.00 0.37 C ATOM 656 C TRP A 42 -8.486 -17.404 -7.943 1.00 0.40 C ATOM 657 O TRP A 42 -7.665 -18.013 -7.311 1.00 0.77 O ATOM 658 CB TRP A 42 -9.431 -15.859 -6.351 1.00 0.37 C ATOM 659 CG TRP A 42 -10.678 -15.214 -5.775 1.00 0.40 C ATOM 660 CD1 TRP A 42 -11.746 -15.901 -5.338 1.00 0.41 C ATOM 661 CD2 TRP A 42 -10.910 -13.917 -5.741 1.00 0.47 C ATOM 662 NE1 TRP A 42 -12.625 -14.941 -5.100 1.00 0.48 N ATOM 663 CE2 TRP A 42 -12.190 -13.683 -5.305 1.00 0.53 C ATOM 664 CE3 TRP A 42 -10.057 -12.864 -5.969 1.00 0.52 C ATOM 665 CZ2 TRP A 42 -12.638 -12.405 -5.108 1.00 0.62 C ATOM 666 CZ3 TRP A 42 -10.501 -11.576 -5.765 1.00 0.62 C ATOM 667 CH2 TRP A 42 -11.792 -11.345 -5.336 1.00 0.66 C ATOM 0 H TRP A 42 -9.920 -18.155 -5.520 1.00 0.39 H new ATOM 0 HA TRP A 42 -10.497 -16.794 -8.106 1.00 0.37 H new ATOM 0 HB2 TRP A 42 -8.805 -16.239 -5.543 1.00 0.37 H new ATOM 0 HB3 TRP A 42 -8.843 -15.113 -6.886 1.00 0.37 H new ATOM 0 HD1 TRP A 42 -11.859 -16.968 -5.213 1.00 0.41 H new ATOM 0 HE1 TRP A 42 -13.573 -15.141 -4.781 1.00 0.48 H new ATOM 0 HE3 TRP A 42 -9.047 -13.045 -6.305 1.00 0.52 H new ATOM 0 HZ2 TRP A 42 -13.650 -12.230 -4.775 1.00 0.62 H new ATOM 0 HZ3 TRP A 42 -9.836 -10.744 -5.942 1.00 0.62 H new ATOM 0 HH2 TRP A 42 -12.137 -10.334 -5.180 1.00 0.66 H new ATOM 678 N ARG A 43 -8.283 -16.984 -9.172 1.00 0.24 N ATOM 679 CA ARG A 43 -7.014 -17.339 -9.875 1.00 0.24 C ATOM 680 C ARG A 43 -6.110 -16.106 -9.945 1.00 0.24 C ATOM 681 O ARG A 43 -6.505 -15.046 -9.525 1.00 0.25 O ATOM 682 CB ARG A 43 -7.311 -17.751 -11.311 1.00 0.24 C ATOM 683 CG ARG A 43 -7.845 -19.186 -11.347 1.00 0.79 C ATOM 684 CD ARG A 43 -7.774 -19.727 -12.777 1.00 0.42 C ATOM 685 NE ARG A 43 -7.931 -21.209 -12.736 1.00 0.71 N ATOM 686 CZ ARG A 43 -8.651 -21.807 -13.647 1.00 1.23 C ATOM 687 NH1 ARG A 43 -9.888 -21.433 -13.818 1.00 1.75 N ATOM 688 NH2 ARG A 43 -8.110 -22.763 -14.351 1.00 1.35 N ATOM 0 H ARG A 43 -8.937 -16.416 -9.711 1.00 0.24 H new ATOM 0 HA ARG A 43 -6.536 -18.153 -9.330 1.00 0.24 H new ATOM 0 HB2 ARG A 43 -8.042 -17.071 -11.749 1.00 0.24 H new ATOM 0 HB3 ARG A 43 -6.406 -17.676 -11.914 1.00 0.24 H new ATOM 0 HG2 ARG A 43 -7.260 -19.819 -10.679 1.00 0.79 H new ATOM 0 HG3 ARG A 43 -8.874 -19.210 -10.989 1.00 0.79 H new ATOM 0 HD2 ARG A 43 -8.558 -19.281 -13.389 1.00 0.42 H new ATOM 0 HD3 ARG A 43 -6.821 -19.460 -13.235 1.00 0.42 H new ATOM 0 HE ARG A 43 -7.479 -21.753 -12.001 1.00 0.71 H new ATOM 0 HH11 ARG A 43 -10.278 -20.685 -13.245 1.00 1.75 H new ATOM 0 HH12 ARG A 43 -10.465 -21.889 -14.525 1.00 1.75 H new ATOM 0 HH21 ARG A 43 -7.140 -23.032 -14.186 1.00 1.35 H new ATOM 0 HH22 ARG A 43 -8.657 -23.241 -15.067 1.00 1.35 H new ATOM 702 N GLY A 44 -4.916 -16.256 -10.479 1.00 0.24 N ATOM 703 CA GLY A 44 -3.992 -15.087 -10.574 1.00 0.25 C ATOM 704 C GLY A 44 -2.572 -15.496 -10.165 1.00 0.29 C ATOM 705 O GLY A 44 -2.370 -16.409 -9.388 1.00 0.44 O ATOM 0 H GLY A 44 -4.549 -17.133 -10.849 1.00 0.24 H new ATOM 0 HA2 GLY A 44 -3.987 -14.701 -11.593 1.00 0.25 H new ATOM 0 HA3 GLY A 44 -4.346 -14.282 -9.930 1.00 0.25 H new ATOM 709 N ASP A 45 -1.635 -14.794 -10.708 1.00 0.17 N ATOM 710 CA ASP A 45 -0.197 -15.070 -10.414 1.00 0.19 C ATOM 711 C ASP A 45 0.205 -14.596 -9.012 1.00 0.21 C ATOM 712 O ASP A 45 -0.418 -13.727 -8.445 1.00 0.21 O ATOM 713 CB ASP A 45 0.632 -14.279 -11.438 1.00 0.15 C ATOM 714 CG ASP A 45 2.115 -14.618 -11.280 1.00 1.94 C ATOM 715 OD1 ASP A 45 2.373 -15.666 -10.711 1.00 2.53 O ATOM 716 OD2 ASP A 45 2.908 -13.813 -11.740 1.00 3.19 O ATOM 0 H ASP A 45 -1.797 -14.024 -11.357 1.00 0.17 H new ATOM 0 HA ASP A 45 -0.025 -16.145 -10.468 1.00 0.19 H new ATOM 0 HB2 ASP A 45 0.301 -14.517 -12.449 1.00 0.15 H new ATOM 0 HB3 ASP A 45 0.477 -13.209 -11.296 1.00 0.15 H new ATOM 721 N TYR A 46 1.256 -15.170 -8.485 1.00 0.20 N ATOM 722 CA TYR A 46 1.707 -14.763 -7.124 1.00 0.16 C ATOM 723 C TYR A 46 3.158 -15.179 -6.884 1.00 0.28 C ATOM 724 O TYR A 46 3.844 -14.596 -6.067 1.00 1.48 O ATOM 725 CB TYR A 46 0.822 -15.456 -6.086 1.00 0.32 C ATOM 726 CG TYR A 46 1.144 -14.859 -4.714 1.00 0.34 C ATOM 727 CD1 TYR A 46 1.048 -13.495 -4.519 1.00 0.30 C ATOM 728 CD2 TYR A 46 1.706 -15.637 -3.711 1.00 0.42 C ATOM 729 CE1 TYR A 46 1.519 -12.918 -3.379 1.00 0.33 C ATOM 730 CE2 TYR A 46 2.187 -15.043 -2.564 1.00 0.44 C ATOM 731 CZ TYR A 46 2.093 -13.680 -2.385 1.00 0.38 C ATOM 732 OH TYR A 46 2.558 -13.088 -1.227 1.00 0.40 O ATOM 0 H TYR A 46 1.815 -15.895 -8.934 1.00 0.20 H new ATOM 0 HA TYR A 46 1.633 -13.679 -7.040 1.00 0.16 H new ATOM 0 HB2 TYR A 46 -0.231 -15.312 -6.326 1.00 0.32 H new ATOM 0 HB3 TYR A 46 1.005 -16.531 -6.086 1.00 0.32 H new ATOM 0 HD1 TYR A 46 0.594 -12.878 -5.280 1.00 0.30 H new ATOM 0 HD2 TYR A 46 1.766 -16.709 -3.830 1.00 0.42 H new ATOM 0 HE1 TYR A 46 1.442 -11.848 -3.252 1.00 0.33 H new ATOM 0 HE2 TYR A 46 2.642 -15.652 -1.797 1.00 0.44 H new ATOM 0 HH TYR A 46 2.930 -13.775 -0.635 1.00 0.40 H new ATOM 742 N GLY A 47 3.602 -16.175 -7.599 1.00 0.99 N ATOM 743 CA GLY A 47 5.010 -16.633 -7.416 1.00 0.88 C ATOM 744 C GLY A 47 5.212 -18.029 -8.015 1.00 1.96 C ATOM 745 O GLY A 47 4.532 -18.966 -7.653 1.00 3.98 O ATOM 0 H GLY A 47 3.059 -16.687 -8.294 1.00 0.99 H new ATOM 0 HA2 GLY A 47 5.691 -15.927 -7.891 1.00 0.88 H new ATOM 0 HA3 GLY A 47 5.257 -16.649 -6.354 1.00 0.88 H new ATOM 749 N GLY A 48 6.153 -18.134 -8.920 1.00 0.78 N ATOM 750 CA GLY A 48 6.422 -19.459 -9.558 1.00 1.63 C ATOM 751 C GLY A 48 5.457 -19.718 -10.720 1.00 1.08 C ATOM 752 O GLY A 48 5.880 -19.912 -11.843 1.00 0.88 O ATOM 0 H GLY A 48 6.742 -17.366 -9.243 1.00 0.78 H new ATOM 0 HA2 GLY A 48 7.449 -19.490 -9.921 1.00 1.63 H new ATOM 0 HA3 GLY A 48 6.323 -20.251 -8.815 1.00 1.63 H new ATOM 756 N LYS A 49 4.181 -19.713 -10.427 1.00 0.98 N ATOM 757 CA LYS A 49 3.178 -19.959 -11.503 1.00 0.82 C ATOM 758 C LYS A 49 2.541 -18.651 -11.974 1.00 0.42 C ATOM 759 O LYS A 49 3.132 -17.601 -11.826 1.00 0.32 O ATOM 760 CB LYS A 49 2.107 -20.886 -10.943 1.00 1.42 C ATOM 761 CG LYS A 49 2.717 -22.284 -10.794 1.00 1.62 C ATOM 762 CD LYS A 49 2.330 -23.132 -12.013 1.00 1.70 C ATOM 763 CE LYS A 49 2.973 -24.517 -11.896 1.00 1.89 C ATOM 764 NZ LYS A 49 3.348 -25.029 -13.245 1.00 3.13 N ATOM 0 H LYS A 49 3.794 -19.551 -9.497 1.00 0.98 H new ATOM 0 HA LYS A 49 3.670 -20.412 -12.363 1.00 0.82 H new ATOM 0 HB2 LYS A 49 1.753 -20.520 -9.979 1.00 1.42 H new ATOM 0 HB3 LYS A 49 1.244 -20.916 -11.608 1.00 1.42 H new ATOM 0 HG2 LYS A 49 3.802 -22.214 -10.713 1.00 1.62 H new ATOM 0 HG3 LYS A 49 2.359 -22.755 -9.879 1.00 1.62 H new ATOM 0 HD2 LYS A 49 1.246 -23.227 -12.074 1.00 1.70 H new ATOM 0 HD3 LYS A 49 2.660 -22.642 -12.929 1.00 1.70 H new ATOM 0 HE2 LYS A 49 3.858 -24.462 -11.261 1.00 1.89 H new ATOM 0 HE3 LYS A 49 2.279 -25.208 -11.417 1.00 1.89 H new ATOM 0 HZ1 LYS A 49 3.783 -25.969 -13.151 1.00 3.13 H new ATOM 0 HZ2 LYS A 49 2.497 -25.099 -13.839 1.00 3.13 H new ATOM 0 HZ3 LYS A 49 4.026 -24.377 -13.688 1.00 3.13 H new ATOM 778 N LYS A 50 1.357 -18.732 -12.544 1.00 0.55 N ATOM 779 CA LYS A 50 0.694 -17.489 -13.023 1.00 0.62 C ATOM 780 C LYS A 50 -0.790 -17.406 -12.641 1.00 1.14 C ATOM 781 O LYS A 50 -1.327 -16.325 -12.537 1.00 3.21 O ATOM 782 CB LYS A 50 0.786 -17.470 -14.552 1.00 0.70 C ATOM 783 CG LYS A 50 0.923 -16.024 -15.028 1.00 0.63 C ATOM 784 CD LYS A 50 0.936 -16.000 -16.562 1.00 0.86 C ATOM 785 CE LYS A 50 1.640 -14.732 -17.059 1.00 1.29 C ATOM 786 NZ LYS A 50 1.779 -14.763 -18.545 1.00 1.29 N ATOM 0 H LYS A 50 0.834 -19.595 -12.693 1.00 0.55 H new ATOM 0 HA LYS A 50 1.200 -16.645 -12.554 1.00 0.62 H new ATOM 0 HB2 LYS A 50 1.642 -18.058 -14.884 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -0.103 -17.926 -14.988 1.00 0.70 H new ATOM 0 HG2 LYS A 50 0.096 -15.423 -14.649 1.00 0.63 H new ATOM 0 HG3 LYS A 50 1.841 -15.585 -14.637 1.00 0.63 H new ATOM 0 HD2 LYS A 50 1.448 -16.884 -16.944 1.00 0.86 H new ATOM 0 HD3 LYS A 50 -0.085 -16.033 -16.943 1.00 0.86 H new ATOM 0 HE2 LYS A 50 1.072 -13.851 -16.759 1.00 1.29 H new ATOM 0 HE3 LYS A 50 2.624 -14.650 -16.597 1.00 1.29 H new ATOM 0 HZ1 LYS A 50 2.258 -13.898 -18.867 1.00 1.29 H new ATOM 0 HZ2 LYS A 50 2.340 -15.593 -18.824 1.00 1.29 H new ATOM 0 HZ3 LYS A 50 0.836 -14.820 -18.981 1.00 1.29 H new ATOM 800 N GLN A 51 -1.415 -18.533 -12.420 1.00 0.73 N ATOM 801 CA GLN A 51 -2.865 -18.518 -12.049 1.00 0.34 C ATOM 802 C GLN A 51 -3.244 -19.767 -11.264 1.00 0.18 C ATOM 803 O GLN A 51 -3.780 -20.714 -11.808 1.00 0.36 O ATOM 804 CB GLN A 51 -3.686 -18.506 -13.357 1.00 0.39 C ATOM 805 CG GLN A 51 -4.031 -17.073 -13.793 1.00 1.12 C ATOM 806 CD GLN A 51 -3.641 -16.889 -15.259 1.00 0.86 C ATOM 807 OE1 GLN A 51 -4.449 -17.046 -16.153 1.00 0.54 O ATOM 808 NE2 GLN A 51 -2.414 -16.553 -15.551 1.00 2.95 N ATOM 0 H GLN A 51 -0.990 -19.458 -12.479 1.00 0.73 H new ATOM 0 HA GLN A 51 -3.066 -17.642 -11.432 1.00 0.34 H new ATOM 0 HB2 GLN A 51 -3.121 -19.002 -14.147 1.00 0.39 H new ATOM 0 HB3 GLN A 51 -4.605 -19.076 -13.216 1.00 0.39 H new ATOM 0 HG2 GLN A 51 -5.097 -16.886 -13.661 1.00 1.12 H new ATOM 0 HG3 GLN A 51 -3.501 -16.352 -13.170 1.00 1.12 H new ATOM 0 HE21 GLN A 51 -1.731 -16.420 -14.806 1.00 2.95 H new ATOM 0 HE22 GLN A 51 -2.139 -16.424 -16.525 1.00 2.95 H new ATOM 817 N LEU A 52 -2.952 -19.743 -9.997 1.00 0.16 N ATOM 818 CA LEU A 52 -3.288 -20.913 -9.153 1.00 0.05 C ATOM 819 C LEU A 52 -4.657 -20.711 -8.516 1.00 0.09 C ATOM 820 O LEU A 52 -5.624 -20.551 -9.226 1.00 0.13 O ATOM 821 CB LEU A 52 -2.198 -21.075 -8.075 1.00 0.10 C ATOM 822 CG LEU A 52 -0.805 -21.171 -8.735 1.00 0.05 C ATOM 823 CD1 LEU A 52 0.166 -21.856 -7.778 1.00 0.07 C ATOM 824 CD2 LEU A 52 -0.858 -22.007 -10.016 1.00 0.08 C ATOM 0 H LEU A 52 -2.498 -18.968 -9.513 1.00 0.16 H new ATOM 0 HA LEU A 52 -3.327 -21.818 -9.759 1.00 0.05 H new ATOM 0 HB2 LEU A 52 -2.226 -20.228 -7.389 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -2.391 -21.970 -7.484 1.00 0.10 H new ATOM 0 HG LEU A 52 -0.479 -20.158 -8.971 1.00 0.05 H new ATOM 0 HD11 LEU A 52 1.149 -21.924 -8.244 1.00 0.07 H new ATOM 0 HD12 LEU A 52 0.240 -21.276 -6.858 1.00 0.07 H new ATOM 0 HD13 LEU A 52 -0.196 -22.858 -7.548 1.00 0.07 H new ATOM 0 HD21 LEU A 52 0.137 -22.057 -10.459 1.00 0.08 H new ATOM 0 HD22 LEU A 52 -1.201 -23.014 -9.779 1.00 0.08 H new ATOM 0 HD23 LEU A 52 -1.547 -21.546 -10.723 1.00 0.08 H new ATOM 836 N TRP A 53 -4.747 -20.726 -7.212 1.00 0.07 N ATOM 837 CA TRP A 53 -6.100 -20.527 -6.618 1.00 0.11 C ATOM 838 C TRP A 53 -6.113 -19.940 -5.216 1.00 0.15 C ATOM 839 O TRP A 53 -5.256 -20.234 -4.409 1.00 0.12 O ATOM 840 CB TRP A 53 -6.743 -21.891 -6.487 1.00 0.14 C ATOM 841 CG TRP A 53 -7.170 -22.362 -7.865 1.00 0.13 C ATOM 842 CD1 TRP A 53 -6.549 -23.331 -8.550 1.00 0.22 C ATOM 843 CD2 TRP A 53 -8.233 -21.927 -8.525 1.00 0.20 C ATOM 844 NE1 TRP A 53 -7.314 -23.467 -9.640 1.00 0.45 N ATOM 845 CE2 TRP A 53 -8.380 -22.630 -9.704 1.00 0.45 C ATOM 846 CE3 TRP A 53 -9.087 -20.882 -8.234 1.00 0.11 C ATOM 847 CZ2 TRP A 53 -9.388 -22.296 -10.580 1.00 0.63 C ATOM 848 CZ3 TRP A 53 -10.084 -20.545 -9.121 1.00 0.24 C ATOM 849 CH2 TRP A 53 -10.230 -21.257 -10.291 1.00 0.52 C ATOM 0 H TRP A 53 -3.977 -20.861 -6.556 1.00 0.07 H new ATOM 0 HA TRP A 53 -6.612 -19.826 -7.278 1.00 0.11 H new ATOM 0 HB2 TRP A 53 -6.041 -22.599 -6.046 1.00 0.14 H new ATOM 0 HB3 TRP A 53 -7.605 -21.840 -5.821 1.00 0.14 H new ATOM 0 HD1 TRP A 53 -5.651 -23.870 -8.287 1.00 0.22 H new ATOM 0 HE1 TRP A 53 -7.110 -24.150 -10.369 1.00 0.45 H new ATOM 0 HE3 TRP A 53 -8.973 -20.330 -7.313 1.00 0.11 H new ATOM 0 HZ2 TRP A 53 -9.514 -22.854 -11.496 1.00 0.63 H new ATOM 0 HZ3 TRP A 53 -10.750 -19.724 -8.900 1.00 0.24 H new ATOM 0 HH2 TRP A 53 -11.014 -20.993 -10.985 1.00 0.52 H new ATOM 860 N PHE A 54 -7.079 -19.091 -4.969 1.00 0.20 N ATOM 861 CA PHE A 54 -7.181 -18.475 -3.619 1.00 0.23 C ATOM 862 C PHE A 54 -8.676 -18.353 -3.228 1.00 0.24 C ATOM 863 O PHE A 54 -9.471 -17.866 -3.993 1.00 0.20 O ATOM 864 CB PHE A 54 -6.559 -17.061 -3.563 1.00 0.25 C ATOM 865 CG PHE A 54 -5.894 -16.682 -4.858 1.00 0.25 C ATOM 866 CD1 PHE A 54 -4.823 -17.402 -5.329 1.00 0.20 C ATOM 867 CD2 PHE A 54 -6.387 -15.627 -5.596 1.00 0.31 C ATOM 868 CE1 PHE A 54 -4.265 -17.087 -6.533 1.00 0.23 C ATOM 869 CE2 PHE A 54 -5.838 -15.310 -6.785 1.00 0.32 C ATOM 870 CZ PHE A 54 -4.765 -16.046 -7.269 1.00 0.29 C ATOM 0 H PHE A 54 -7.793 -18.803 -5.638 1.00 0.20 H new ATOM 0 HA PHE A 54 -6.633 -19.119 -2.931 1.00 0.23 H new ATOM 0 HB2 PHE A 54 -7.336 -16.333 -3.329 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -5.828 -17.019 -2.755 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -4.423 -18.218 -4.746 1.00 0.20 H new ATOM 0 HD2 PHE A 54 -7.219 -15.051 -5.219 1.00 0.31 H new ATOM 0 HE1 PHE A 54 -3.428 -17.659 -6.906 1.00 0.23 H new ATOM 0 HE2 PHE A 54 -6.232 -14.485 -7.360 1.00 0.32 H new ATOM 0 HZ PHE A 54 -4.326 -15.798 -8.224 1.00 0.29 H new ATOM 880 N PRO A 55 -9.037 -18.778 -2.041 1.00 0.30 N ATOM 881 CA PRO A 55 -10.435 -18.710 -1.572 1.00 0.31 C ATOM 882 C PRO A 55 -11.086 -17.344 -1.688 1.00 0.27 C ATOM 883 O PRO A 55 -10.440 -16.316 -1.636 1.00 0.29 O ATOM 884 CB PRO A 55 -10.337 -19.012 -0.086 1.00 0.40 C ATOM 885 CG PRO A 55 -8.934 -19.621 0.173 1.00 0.45 C ATOM 886 CD PRO A 55 -8.096 -19.323 -1.050 1.00 0.39 C ATOM 0 HA PRO A 55 -11.038 -19.388 -2.176 1.00 0.31 H new ATOM 0 HB2 PRO A 55 -10.475 -18.103 0.500 1.00 0.40 H new ATOM 0 HB3 PRO A 55 -11.119 -19.708 0.216 1.00 0.40 H new ATOM 0 HG2 PRO A 55 -8.483 -19.187 1.066 1.00 0.45 H new ATOM 0 HG3 PRO A 55 -9.004 -20.696 0.341 1.00 0.45 H new ATOM 0 HD2 PRO A 55 -7.307 -18.607 -0.821 1.00 0.39 H new ATOM 0 HD3 PRO A 55 -7.610 -20.224 -1.423 1.00 0.39 H new ATOM 894 N SER A 56 -12.376 -17.393 -1.837 1.00 0.22 N ATOM 895 CA SER A 56 -13.169 -16.155 -1.954 1.00 0.19 C ATOM 896 C SER A 56 -13.632 -15.900 -0.540 1.00 0.22 C ATOM 897 O SER A 56 -14.430 -15.031 -0.252 1.00 0.27 O ATOM 898 CB SER A 56 -14.387 -16.412 -2.850 1.00 0.23 C ATOM 899 OG SER A 56 -15.031 -17.528 -2.252 1.00 0.42 O ATOM 0 H SER A 56 -12.919 -18.255 -1.883 1.00 0.22 H new ATOM 0 HA SER A 56 -12.610 -15.323 -2.383 1.00 0.19 H new ATOM 0 HB2 SER A 56 -15.046 -15.544 -2.885 1.00 0.23 H new ATOM 0 HB3 SER A 56 -14.088 -16.627 -3.876 1.00 0.23 H new ATOM 0 HG SER A 56 -14.570 -18.352 -2.515 1.00 0.42 H new ATOM 905 N ASN A 57 -13.056 -16.706 0.318 1.00 0.24 N ATOM 906 CA ASN A 57 -13.344 -16.652 1.749 1.00 0.33 C ATOM 907 C ASN A 57 -12.126 -16.064 2.427 1.00 0.46 C ATOM 908 O ASN A 57 -12.177 -15.628 3.561 1.00 0.70 O ATOM 909 CB ASN A 57 -13.544 -18.102 2.230 1.00 0.28 C ATOM 910 CG ASN A 57 -14.981 -18.276 2.729 1.00 0.23 C ATOM 911 OD1 ASN A 57 -15.831 -18.806 2.041 1.00 0.56 O ATOM 912 ND2 ASN A 57 -15.291 -17.843 3.921 1.00 0.96 N ATOM 0 H ASN A 57 -12.375 -17.419 0.056 1.00 0.24 H new ATOM 0 HA ASN A 57 -14.228 -16.055 1.971 1.00 0.33 H new ATOM 0 HB2 ASN A 57 -13.343 -18.798 1.416 1.00 0.28 H new ATOM 0 HB3 ASN A 57 -12.839 -18.333 3.029 1.00 0.28 H new ATOM 0 HD21 ASN A 57 -16.243 -17.950 4.271 1.00 0.96 H new ATOM 0 HD22 ASN A 57 -14.581 -17.397 4.502 1.00 0.96 H new ATOM 919 N TYR A 58 -11.041 -16.068 1.682 1.00 0.34 N ATOM 920 CA TYR A 58 -9.778 -15.519 2.225 1.00 0.48 C ATOM 921 C TYR A 58 -9.439 -14.165 1.588 1.00 0.66 C ATOM 922 O TYR A 58 -9.029 -13.244 2.266 1.00 1.49 O ATOM 923 CB TYR A 58 -8.609 -16.481 1.925 1.00 0.53 C ATOM 924 CG TYR A 58 -8.570 -17.653 2.931 1.00 0.33 C ATOM 925 CD1 TYR A 58 -9.665 -18.509 3.121 1.00 0.38 C ATOM 926 CD2 TYR A 58 -7.421 -17.867 3.683 1.00 0.13 C ATOM 927 CE1 TYR A 58 -9.599 -19.524 4.052 1.00 0.26 C ATOM 928 CE2 TYR A 58 -7.372 -18.888 4.608 1.00 0.25 C ATOM 929 CZ TYR A 58 -8.455 -19.722 4.800 1.00 0.27 C ATOM 930 OH TYR A 58 -8.386 -20.750 5.718 1.00 0.48 O ATOM 0 H TYR A 58 -10.987 -16.428 0.729 1.00 0.34 H new ATOM 0 HA TYR A 58 -9.916 -15.396 3.299 1.00 0.48 H new ATOM 0 HB2 TYR A 58 -8.708 -16.872 0.912 1.00 0.53 H new ATOM 0 HB3 TYR A 58 -7.667 -15.934 1.964 1.00 0.53 H new ATOM 0 HD1 TYR A 58 -10.563 -18.373 2.536 1.00 0.38 H new ATOM 0 HD2 TYR A 58 -6.561 -17.229 3.542 1.00 0.13 H new ATOM 0 HE1 TYR A 58 -10.451 -20.171 4.198 1.00 0.26 H new ATOM 0 HE2 TYR A 58 -6.475 -19.037 5.190 1.00 0.25 H new ATOM 0 HH TYR A 58 -7.508 -20.742 6.153 1.00 0.48 H new ATOM 940 N VAL A 59 -9.617 -14.074 0.292 1.00 0.16 N ATOM 941 CA VAL A 59 -9.312 -12.795 -0.411 1.00 0.07 C ATOM 942 C VAL A 59 -10.565 -11.936 -0.619 1.00 0.20 C ATOM 943 O VAL A 59 -11.667 -12.360 -0.331 1.00 0.48 O ATOM 944 CB VAL A 59 -8.728 -13.157 -1.787 1.00 0.28 C ATOM 945 CG1 VAL A 59 -7.726 -14.287 -1.585 1.00 0.30 C ATOM 946 CG2 VAL A 59 -9.847 -13.622 -2.745 1.00 0.42 C ATOM 0 H VAL A 59 -9.959 -14.828 -0.304 1.00 0.16 H new ATOM 0 HA VAL A 59 -8.615 -12.217 0.196 1.00 0.07 H new ATOM 0 HB VAL A 59 -8.245 -12.284 -2.227 1.00 0.28 H new ATOM 0 HG11 VAL A 59 -7.294 -14.566 -2.546 1.00 0.30 H new ATOM 0 HG12 VAL A 59 -6.934 -13.955 -0.914 1.00 0.30 H new ATOM 0 HG13 VAL A 59 -8.232 -15.149 -1.151 1.00 0.30 H new ATOM 0 HG21 VAL A 59 -9.415 -13.874 -3.714 1.00 0.42 H new ATOM 0 HG22 VAL A 59 -10.341 -14.500 -2.329 1.00 0.42 H new ATOM 0 HG23 VAL A 59 -10.575 -12.821 -2.870 1.00 0.42 H new ATOM 956 N GLU A 60 -10.365 -10.741 -1.114 1.00 0.24 N ATOM 957 CA GLU A 60 -11.522 -9.832 -1.354 1.00 0.47 C ATOM 958 C GLU A 60 -11.042 -8.519 -1.982 1.00 0.56 C ATOM 959 O GLU A 60 -10.165 -7.871 -1.454 1.00 0.97 O ATOM 960 CB GLU A 60 -12.184 -9.520 -0.007 1.00 0.93 C ATOM 961 CG GLU A 60 -13.638 -9.997 -0.033 1.00 1.19 C ATOM 962 CD GLU A 60 -14.419 -9.175 -1.059 1.00 3.13 C ATOM 963 OE1 GLU A 60 -13.758 -8.501 -1.831 1.00 4.19 O ATOM 964 OE2 GLU A 60 -15.635 -9.268 -1.013 1.00 3.89 O ATOM 0 H GLU A 60 -9.453 -10.358 -1.361 1.00 0.24 H new ATOM 0 HA GLU A 60 -12.227 -10.315 -2.030 1.00 0.47 H new ATOM 0 HB2 GLU A 60 -11.642 -10.013 0.800 1.00 0.93 H new ATOM 0 HB3 GLU A 60 -12.145 -8.449 0.191 1.00 0.93 H new ATOM 0 HG2 GLU A 60 -13.681 -11.056 -0.289 1.00 1.19 H new ATOM 0 HG3 GLU A 60 -14.086 -9.889 0.955 1.00 1.19 H new ATOM 971 N GLU A 61 -11.622 -8.162 -3.100 1.00 0.34 N ATOM 972 CA GLU A 61 -11.216 -6.898 -3.781 1.00 0.55 C ATOM 973 C GLU A 61 -10.972 -5.779 -2.786 1.00 0.81 C ATOM 974 O GLU A 61 -11.868 -5.023 -2.469 1.00 1.27 O ATOM 975 CB GLU A 61 -12.341 -6.488 -4.731 1.00 0.64 C ATOM 976 CG GLU A 61 -12.542 -7.613 -5.742 1.00 0.54 C ATOM 977 CD GLU A 61 -12.995 -7.021 -7.078 1.00 1.12 C ATOM 978 OE1 GLU A 61 -14.115 -6.541 -7.102 1.00 3.35 O ATOM 979 OE2 GLU A 61 -12.197 -7.085 -7.997 1.00 0.80 O ATOM 0 H GLU A 61 -12.357 -8.691 -3.569 1.00 0.34 H new ATOM 0 HA GLU A 61 -10.285 -7.072 -4.320 1.00 0.55 H new ATOM 0 HB2 GLU A 61 -13.261 -6.307 -4.175 1.00 0.64 H new ATOM 0 HB3 GLU A 61 -12.088 -5.558 -5.241 1.00 0.64 H new ATOM 0 HG2 GLU A 61 -11.613 -8.168 -5.874 1.00 0.54 H new ATOM 0 HG3 GLU A 61 -13.286 -8.319 -5.374 1.00 0.54 H new ATOM 986 N MET A 62 -9.740 -5.701 -2.355 1.00 0.57 N ATOM 987 CA MET A 62 -9.314 -4.661 -1.368 1.00 0.80 C ATOM 988 C MET A 62 -10.499 -4.065 -0.617 1.00 1.01 C ATOM 989 O MET A 62 -10.613 -2.863 -0.479 1.00 1.63 O ATOM 990 CB MET A 62 -8.579 -3.545 -2.126 1.00 1.02 C ATOM 991 CG MET A 62 -7.230 -4.067 -2.638 1.00 0.71 C ATOM 992 SD MET A 62 -6.007 -2.839 -3.155 1.00 1.04 S ATOM 993 CE MET A 62 -4.676 -3.999 -3.543 1.00 0.80 C ATOM 0 H MET A 62 -8.993 -6.329 -2.652 1.00 0.57 H new ATOM 0 HA MET A 62 -8.663 -5.132 -0.631 1.00 0.80 H new ATOM 0 HB2 MET A 62 -9.187 -3.199 -2.962 1.00 1.02 H new ATOM 0 HB3 MET A 62 -8.423 -2.689 -1.470 1.00 1.02 H new ATOM 0 HG2 MET A 62 -6.784 -4.677 -1.852 1.00 0.71 H new ATOM 0 HG3 MET A 62 -7.423 -4.728 -3.483 1.00 0.71 H new ATOM 0 HE1 MET A 62 -3.802 -3.447 -3.890 1.00 0.80 H new ATOM 0 HE2 MET A 62 -4.416 -4.567 -2.649 1.00 0.80 H new ATOM 0 HE3 MET A 62 -5.006 -4.684 -4.324 1.00 0.80 H new ATOM 1003 N VAL A 63 -11.327 -4.947 -0.133 1.00 1.53 N ATOM 1004 CA VAL A 63 -12.536 -4.552 0.625 1.00 1.89 C ATOM 1005 C VAL A 63 -13.043 -3.185 0.214 1.00 2.67 C ATOM 1006 O VAL A 63 -12.562 -2.148 0.619 1.00 1.92 O ATOM 1007 CB VAL A 63 -12.262 -4.667 2.134 1.00 1.23 C ATOM 1008 CG1 VAL A 63 -10.825 -5.136 2.361 1.00 2.79 C ATOM 1009 CG2 VAL A 63 -12.480 -3.351 2.902 1.00 2.38 C ATOM 0 H VAL A 63 -11.208 -5.955 -0.237 1.00 1.53 H new ATOM 0 HA VAL A 63 -13.346 -5.240 0.382 1.00 1.89 H new ATOM 0 HB VAL A 63 -12.981 -5.389 2.521 1.00 1.23 H new ATOM 0 HG11 VAL A 63 -10.633 -5.217 3.431 1.00 2.79 H new ATOM 0 HG12 VAL A 63 -10.682 -6.110 1.892 1.00 2.79 H new ATOM 0 HG13 VAL A 63 -10.134 -4.417 1.922 1.00 2.79 H new ATOM 0 HG21 VAL A 63 -12.268 -3.508 3.960 1.00 2.38 H new ATOM 0 HG22 VAL A 63 -11.812 -2.585 2.508 1.00 2.38 H new ATOM 0 HG23 VAL A 63 -13.514 -3.027 2.783 1.00 2.38 H new ATOM 1019 N ASN A 64 -14.011 -3.246 -0.624 1.00 4.45 N ATOM 1020 CA ASN A 64 -14.635 -2.001 -1.142 1.00 5.60 C ATOM 1021 C ASN A 64 -15.850 -2.314 -2.029 1.00 7.13 C ATOM 1022 O ASN A 64 -15.788 -2.200 -3.236 1.00 8.01 O ATOM 1023 CB ASN A 64 -13.593 -1.233 -1.980 1.00 6.11 C ATOM 1024 CG ASN A 64 -13.929 0.257 -1.947 1.00 6.86 C ATOM 1025 OD1 ASN A 64 -15.069 0.644 -1.785 1.00 7.90 O ATOM 1026 ND2 ASN A 64 -12.968 1.126 -2.095 1.00 6.99 N ATOM 0 H ASN A 64 -14.411 -4.112 -0.985 1.00 4.45 H new ATOM 0 HA ASN A 64 -14.970 -1.404 -0.294 1.00 5.60 H new ATOM 0 HB2 ASN A 64 -12.592 -1.402 -1.583 1.00 6.11 H new ATOM 0 HB3 ASN A 64 -13.594 -1.597 -3.008 1.00 6.11 H new ATOM 0 HD21 ASN A 64 -13.176 2.124 -2.074 1.00 6.99 H new ATOM 0 HD22 ASN A 64 -12.009 0.807 -2.231 1.00 6.99 H new ATOM 1033 N PRO A 65 -16.929 -2.742 -1.410 1.00 7.68 N ATOM 1034 CA PRO A 65 -18.163 -3.076 -2.142 1.00 9.30 C ATOM 1035 C PRO A 65 -18.854 -1.796 -2.645 1.00 10.71 C ATOM 1036 O PRO A 65 -20.026 -1.574 -2.411 1.00 12.59 O ATOM 1037 CB PRO A 65 -19.040 -3.811 -1.101 1.00 9.95 C ATOM 1038 CG PRO A 65 -18.323 -3.714 0.269 1.00 8.54 C ATOM 1039 CD PRO A 65 -16.990 -2.981 0.048 1.00 7.10 C ATOM 0 HA PRO A 65 -17.976 -3.687 -3.025 1.00 9.30 H new ATOM 0 HB2 PRO A 65 -20.030 -3.359 -1.047 1.00 9.95 H new ATOM 0 HB3 PRO A 65 -19.180 -4.854 -1.387 1.00 9.95 H new ATOM 0 HG2 PRO A 65 -18.941 -3.175 0.987 1.00 8.54 H new ATOM 0 HG3 PRO A 65 -18.149 -4.708 0.681 1.00 8.54 H new ATOM 0 HD2 PRO A 65 -16.956 -2.044 0.604 1.00 7.10 H new ATOM 0 HD3 PRO A 65 -16.147 -3.583 0.386 1.00 7.10 H new ATOM 1047 N GLU A 66 -18.087 -0.975 -3.327 1.00 9.88 N ATOM 1048 CA GLU A 66 -18.634 0.302 -3.871 1.00 11.14 C ATOM 1049 C GLU A 66 -20.082 0.136 -4.320 1.00 13.57 C ATOM 1050 O GLU A 66 -20.385 -0.698 -5.150 1.00 14.15 O ATOM 1051 CB GLU A 66 -17.780 0.701 -5.086 1.00 10.84 C ATOM 1052 CG GLU A 66 -17.334 2.161 -4.953 1.00 10.03 C ATOM 1053 CD GLU A 66 -18.555 3.077 -5.069 1.00 11.37 C ATOM 1054 OE1 GLU A 66 -19.143 3.326 -4.029 1.00 11.12 O ATOM 1055 OE2 GLU A 66 -18.830 3.471 -6.190 1.00 12.70 O ATOM 0 H GLU A 66 -17.101 -1.140 -3.529 1.00 9.88 H new ATOM 0 HA GLU A 66 -18.604 1.065 -3.093 1.00 11.14 H new ATOM 0 HB2 GLU A 66 -16.908 0.051 -5.158 1.00 10.84 H new ATOM 0 HB3 GLU A 66 -18.353 0.569 -6.004 1.00 10.84 H new ATOM 0 HG2 GLU A 66 -16.839 2.316 -3.994 1.00 10.03 H new ATOM 0 HG3 GLU A 66 -16.608 2.404 -5.729 1.00 10.03 H new ATOM 1062 N GLY A 67 -20.951 0.930 -3.749 1.00 15.17 N ATOM 1063 CA GLY A 67 -22.389 0.837 -4.126 1.00 17.71 C ATOM 1064 C GLY A 67 -23.023 2.231 -4.198 1.00 19.04 C ATOM 1065 O GLY A 67 -24.216 2.370 -4.012 1.00 19.86 O ATOM 0 H GLY A 67 -20.728 1.632 -3.044 1.00 15.17 H new ATOM 0 HA2 GLY A 67 -22.485 0.338 -5.090 1.00 17.71 H new ATOM 0 HA3 GLY A 67 -22.922 0.227 -3.397 1.00 17.71 H new ATOM 1069 N ILE A 68 -22.215 3.228 -4.475 1.00 19.30 N ATOM 1070 CA ILE A 68 -22.757 4.619 -4.564 1.00 20.64 C ATOM 1071 C ILE A 68 -22.522 5.222 -5.950 1.00 20.98 C ATOM 1072 O ILE A 68 -21.403 5.540 -6.307 1.00 20.02 O ATOM 1073 CB ILE A 68 -22.030 5.488 -3.536 1.00 20.96 C ATOM 1074 CG1 ILE A 68 -22.305 4.976 -2.123 1.00 20.76 C ATOM 1075 CG2 ILE A 68 -22.571 6.920 -3.649 1.00 22.38 C ATOM 1076 CD1 ILE A 68 -21.385 5.698 -1.132 1.00 20.51 C ATOM 0 H ILE A 68 -21.213 3.139 -4.642 1.00 19.30 H new ATOM 0 HA ILE A 68 -23.830 4.584 -4.375 1.00 20.64 H new ATOM 0 HB ILE A 68 -20.957 5.456 -3.727 1.00 20.96 H new ATOM 0 HG12 ILE A 68 -23.348 5.148 -1.859 1.00 20.76 H new ATOM 0 HG13 ILE A 68 -22.137 3.900 -2.075 1.00 20.76 H new ATOM 0 HG21 ILE A 68 -22.066 7.558 -2.924 1.00 22.38 H new ATOM 0 HG22 ILE A 68 -22.389 7.299 -4.655 1.00 22.38 H new ATOM 0 HG23 ILE A 68 -23.642 6.921 -3.449 1.00 22.38 H new ATOM 0 HD11 ILE A 68 -21.580 5.334 -0.123 1.00 20.51 H new ATOM 0 HD12 ILE A 68 -20.345 5.504 -1.393 1.00 20.51 H new ATOM 0 HD13 ILE A 68 -21.575 6.770 -1.174 1.00 20.51 H new ATOM 1088 N HIS A 69 -23.588 5.379 -6.697 1.00 22.47 N ATOM 1089 CA HIS A 69 -23.464 5.961 -8.066 1.00 22.98 C ATOM 1090 C HIS A 69 -24.188 7.304 -8.160 1.00 25.17 C ATOM 1091 O HIS A 69 -25.309 7.374 -8.629 1.00 26.57 O ATOM 1092 CB HIS A 69 -24.115 4.990 -9.058 1.00 23.16 C ATOM 1093 CG HIS A 69 -23.427 3.627 -8.976 1.00 21.79 C ATOM 1094 ND1 HIS A 69 -23.608 2.773 -8.058 1.00 21.04 N ATOM 1095 CD2 HIS A 69 -22.520 3.036 -9.838 1.00 21.43 C ATOM 1096 CE1 HIS A 69 -22.909 1.722 -8.274 1.00 20.37 C ATOM 1097 NE2 HIS A 69 -22.192 1.817 -9.382 1.00 20.66 N ATOM 0 H HIS A 69 -24.536 5.129 -6.417 1.00 22.47 H new ATOM 0 HA HIS A 69 -22.409 6.117 -8.290 1.00 22.98 H new ATOM 0 HB2 HIS A 69 -25.177 4.886 -8.835 1.00 23.16 H new ATOM 0 HB3 HIS A 69 -24.039 5.385 -10.071 1.00 23.16 H new ATOM 0 HD2 HIS A 69 -22.135 3.487 -10.740 1.00 21.43 H new ATOM 0 HE1 HIS A 69 -22.905 0.858 -7.626 1.00 20.37 H new ATOM 0 HE2 HIS A 69 -21.551 1.135 -9.788 1.00 20.66 H new ATOM 1105 N ARG A 70 -23.536 8.347 -7.721 1.00 25.60 N ATOM 1106 CA ARG A 70 -24.177 9.690 -7.782 1.00 27.80 C ATOM 1107 C ARG A 70 -24.166 10.234 -9.206 1.00 28.05 C ATOM 1108 O ARG A 70 -23.302 9.904 -9.994 1.00 26.37 O ATOM 1109 CB ARG A 70 -23.378 10.653 -6.898 1.00 28.33 C ATOM 1110 CG ARG A 70 -23.951 10.639 -5.480 1.00 30.48 C ATOM 1111 CD ARG A 70 -22.911 11.215 -4.514 1.00 29.96 C ATOM 1112 NE ARG A 70 -22.239 12.382 -5.157 1.00 30.59 N ATOM 1113 CZ ARG A 70 -21.416 13.117 -4.457 1.00 30.52 C ATOM 1114 NH1 ARG A 70 -21.902 13.933 -3.564 1.00 31.22 N ATOM 1115 NH2 ARG A 70 -20.133 13.018 -4.682 1.00 29.84 N ATOM 0 H ARG A 70 -22.596 8.327 -7.326 1.00 25.60 H new ATOM 0 HA ARG A 70 -25.209 9.600 -7.442 1.00 27.80 H new ATOM 0 HB2 ARG A 70 -22.328 10.361 -6.880 1.00 28.33 H new ATOM 0 HB3 ARG A 70 -23.421 11.662 -7.309 1.00 28.33 H new ATOM 0 HG2 ARG A 70 -24.868 11.226 -5.439 1.00 30.48 H new ATOM 0 HG3 ARG A 70 -24.211 9.621 -5.189 1.00 30.48 H new ATOM 0 HD2 ARG A 70 -23.391 11.523 -3.585 1.00 29.96 H new ATOM 0 HD3 ARG A 70 -22.175 10.453 -4.256 1.00 29.96 H new ATOM 0 HE ARG A 70 -22.421 12.604 -6.136 1.00 30.59 H new ATOM 0 HH11 ARG A 70 -22.910 13.990 -3.421 1.00 31.22 H new ATOM 0 HH12 ARG A 70 -21.274 14.514 -3.009 1.00 31.22 H new ATOM 0 HH21 ARG A 70 -19.788 12.375 -5.395 1.00 29.84 H new ATOM 0 HH22 ARG A 70 -19.476 13.584 -4.145 1.00 29.84 H new ATOM 1129 N ASP A 71 -25.126 11.064 -9.509 1.00 30.21 N ATOM 1130 CA ASP A 71 -25.187 11.642 -10.876 1.00 30.61 C ATOM 1131 C ASP A 71 -24.012 12.584 -11.114 1.00 29.25 C ATOM 1132 O ASP A 71 -23.609 13.202 -10.140 1.00 28.58 O ATOM 1133 CB ASP A 71 -26.490 12.441 -11.010 1.00 33.52 C ATOM 1134 CG ASP A 71 -26.239 13.676 -11.881 1.00 33.79 C ATOM 1135 OD1 ASP A 71 -25.733 14.636 -11.325 1.00 34.45 O ATOM 1136 OD2 ASP A 71 -26.566 13.587 -13.052 1.00 33.44 O ATOM 1137 OXT ASP A 71 -23.581 12.638 -12.253 1.00 29.10 O ATOM 0 H ASP A 71 -25.865 11.364 -8.873 1.00 30.21 H new ATOM 0 HA ASP A 71 -25.147 10.834 -11.606 1.00 30.61 H new ATOM 0 HB2 ASP A 71 -27.267 11.820 -11.455 1.00 33.52 H new ATOM 0 HB3 ASP A 71 -26.848 12.743 -10.026 1.00 33.52 H new TER 1142 ASP A 71