USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 133:sc= 0.657 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.464 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.04 (180deg=1.75) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 0.721 (180deg=-1.02!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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 X(o=0,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.656) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.24 K(o=-0.24,f=-0.82) USER MOD Single : A 41 GLN : amide:sc= 0.194 K(o=0.19,f=-2.5!) 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) USER MOD Single : A 55 THR OG1 : rot -44:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.35 USER MOD Single : A 60 ASN : amide:sc=-0.000885 K(o=-0.00089,f=-0.74) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= 1.29 (180deg=1.08) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.176 -7.900 -4.994 1.00 9.67 N ATOM 2 CA MET A 1 11.093 -8.305 -3.563 1.00 10.38 C ATOM 3 C MET A 1 9.669 -8.455 -3.089 1.00 9.62 C ATOM 4 O MET A 1 8.770 -7.799 -3.699 1.00 9.62 O ATOM 5 CB MET A 1 11.801 -7.221 -2.644 1.00 13.77 C ATOM 6 CG MET A 1 11.242 -5.841 -2.863 1.00 16.29 C ATOM 7 SD MET A 1 11.914 -4.602 -1.682 1.00 17.17 S ATOM 8 CE MET A 1 10.668 -3.254 -1.705 1.00 16.11 C ATOM 0 H1 MET A 1 12.168 -7.712 -5.244 1.00 9.67 H new ATOM 0 H2 MET A 1 10.807 -8.666 -5.593 1.00 9.67 H new ATOM 0 H3 MET A 1 10.611 -7.040 -5.145 1.00 9.67 H new ATOM 0 HA MET A 1 11.593 -9.271 -3.487 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.679 -7.499 -1.597 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.871 -7.215 -2.850 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.463 -5.522 -3.882 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.157 -5.875 -2.768 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.979 -2.459 -1.027 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.582 -2.855 -2.716 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.702 -3.646 -1.386 1.00 16.11 H new ATOM 20 N GLN A 2 9.468 -9.188 -1.983 1.00 9.27 N ATOM 21 CA GLN A 2 8.102 -9.314 -1.465 1.00 9.07 C ATOM 22 C GLN A 2 7.743 -8.307 -0.434 1.00 8.72 C ATOM 23 O GLN A 2 8.566 -7.975 0.368 1.00 8.22 O ATOM 24 CB GLN A 2 8.029 -10.757 -0.913 1.00 14.46 C ATOM 25 CG GLN A 2 8.177 -11.791 -2.046 1.00 17.01 C ATOM 26 CD GLN A 2 8.039 -13.218 -1.583 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.485 -13.540 -0.504 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.364 -14.038 -2.419 1.00 19.49 N ATOM 0 H GLN A 2 10.191 -9.677 -1.456 1.00 9.27 H new ATOM 0 HA GLN A 2 7.375 -9.123 -2.254 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.816 -10.907 -0.174 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.078 -10.907 -0.401 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.425 -11.591 -2.809 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.151 -11.664 -2.518 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.021 -13.685 -3.313 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.197 -15.009 -2.156 1.00 19.49 H new ATOM 37 N ILE A 3 6.594 -7.737 -0.429 1.00 5.87 N ATOM 38 CA ILE A 3 6.107 -6.989 0.724 1.00 5.07 C ATOM 39 C ILE A 3 4.838 -7.546 1.189 1.00 4.01 C ATOM 40 O ILE A 3 4.160 -8.028 0.342 1.00 4.61 O ATOM 41 CB ILE A 3 5.951 -5.471 0.526 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.037 -5.114 -0.694 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.351 -4.826 0.476 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.724 -3.724 -0.929 1.00 10.83 C ATOM 0 H ILE A 3 5.945 -7.763 -1.216 1.00 5.87 H new ATOM 0 HA ILE A 3 6.894 -7.104 1.469 1.00 5.07 H new ATOM 0 HB ILE A 3 5.420 -5.046 1.378 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.514 -5.504 -1.593 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.096 -5.651 -0.574 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.251 -3.750 0.336 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.876 -5.023 1.411 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.917 -5.249 -0.354 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.084 -3.639 -1.807 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.206 -3.316 -0.061 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.646 -3.167 -1.096 1.00 10.83 H new ATOM 56 N PHE A 4 4.562 -7.530 2.512 1.00 4.55 N ATOM 57 CA PHE A 4 3.303 -7.906 3.086 1.00 4.68 C ATOM 58 C PHE A 4 2.469 -6.685 3.222 1.00 5.30 C ATOM 59 O PHE A 4 2.942 -5.700 3.685 1.00 5.58 O ATOM 60 CB PHE A 4 3.560 -8.617 4.445 1.00 4.83 C ATOM 61 CG PHE A 4 4.502 -9.736 4.388 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.673 -10.590 3.257 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.142 -10.058 5.562 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.540 -11.703 3.318 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.118 -11.103 5.596 1.00 10.61 C ATOM 66 CZ PHE A 4 6.285 -11.923 4.497 1.00 8.90 C ATOM 0 H PHE A 4 5.248 -7.242 3.210 1.00 4.55 H new ATOM 0 HA PHE A 4 2.763 -8.609 2.452 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.934 -7.882 5.158 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.609 -8.981 4.833 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.133 -10.383 2.345 1.00 6.69 H new ATOM 0 HD2 PHE A 4 4.905 -9.517 6.466 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.632 -12.374 2.477 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.723 -11.251 6.479 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.991 -12.739 4.540 1.00 8.90 H new ATOM 76 N VAL A 5 1.206 -6.758 2.767 1.00 4.44 N ATOM 77 CA VAL A 5 0.225 -5.757 3.178 1.00 3.87 C ATOM 78 C VAL A 5 -0.774 -6.411 4.071 1.00 4.93 C ATOM 79 O VAL A 5 -1.200 -7.456 3.625 1.00 6.84 O ATOM 80 CB VAL A 5 -0.574 -5.229 1.978 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.861 -4.505 2.319 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.371 -4.294 1.294 1.00 9.13 C ATOM 0 H VAL A 5 0.855 -7.478 2.135 1.00 4.44 H new ATOM 0 HA VAL A 5 0.766 -4.944 3.662 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.910 -6.069 1.370 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.346 -4.174 1.401 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.526 -5.180 2.858 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.637 -3.640 2.944 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.114 -3.864 0.418 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.654 -3.496 1.981 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.262 -4.840 0.984 1.00 9.13 H new ATOM 92 N LYS A 6 -1.136 -5.857 5.219 1.00 6.04 N ATOM 93 CA LYS A 6 -2.018 -6.347 6.278 1.00 6.12 C ATOM 94 C LYS A 6 -3.254 -5.478 6.426 1.00 6.57 C ATOM 95 O LYS A 6 -3.181 -4.258 6.250 1.00 5.76 O ATOM 96 CB LYS A 6 -1.190 -6.364 7.584 1.00 7.45 C ATOM 97 CG LYS A 6 -1.733 -7.304 8.714 1.00 11.12 C ATOM 98 CD LYS A 6 -0.840 -7.439 9.940 1.00 14.54 C ATOM 99 CE LYS A 6 -1.297 -8.384 10.995 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.422 -9.797 10.588 1.00 20.55 N ATOM 0 H LYS A 6 -0.773 -4.936 5.464 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.379 -7.346 6.035 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.170 -6.665 7.343 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.138 -5.348 7.974 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.707 -6.933 9.034 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.893 -8.296 8.292 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.150 -7.752 9.608 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.728 -6.453 10.391 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.601 -8.328 11.832 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.266 -8.046 11.363 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.746 -10.364 11.397 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.111 -9.875 9.813 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.498 -10.149 10.267 1.00 20.55 H new ATOM 114 N THR A 7 -4.440 -6.077 6.614 1.00 7.41 N ATOM 115 CA THR A 7 -5.761 -5.476 6.403 1.00 7.48 C ATOM 116 C THR A 7 -6.562 -5.487 7.728 1.00 8.75 C ATOM 117 O THR A 7 -6.257 -6.331 8.568 1.00 8.58 O ATOM 118 CB THR A 7 -6.613 -6.068 5.302 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.035 -7.346 5.685 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.794 -6.370 4.001 1.00 9.17 C ATOM 0 H THR A 7 -4.504 -7.043 6.934 1.00 7.41 H new ATOM 0 HA THR A 7 -5.536 -4.465 6.063 1.00 7.48 H new ATOM 0 HB THR A 7 -7.408 -5.343 5.129 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.995 -7.439 5.511 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.455 -6.793 3.245 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.356 -5.446 3.624 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.000 -7.081 4.228 1.00 9.17 H new ATOM 128 N LEU A 8 -7.579 -4.668 7.906 1.00 9.84 N ATOM 129 CA LEU A 8 -8.288 -4.509 9.095 1.00 14.15 C ATOM 130 C LEU A 8 -9.522 -5.287 8.930 1.00 17.37 C ATOM 131 O LEU A 8 -10.295 -5.326 9.862 1.00 17.01 O ATOM 132 CB LEU A 8 -8.577 -3.026 9.381 1.00 16.63 C ATOM 133 CG LEU A 8 -7.267 -2.289 9.396 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.402 -0.829 9.485 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.356 -2.658 10.581 1.00 18.59 C ATOM 0 H LEU A 8 -7.930 -4.071 7.157 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.716 -4.862 9.953 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.237 -2.613 8.618 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.087 -2.915 10.338 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.835 -2.596 8.443 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -6.413 -0.372 9.490 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.966 -0.463 8.627 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.928 -0.568 10.403 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.431 -2.085 10.521 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.865 -2.428 11.517 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.126 -3.723 10.545 1.00 18.59 H new ATOM 147 N THR A 9 -9.595 -6.037 7.776 1.00 18.33 N ATOM 148 CA THR A 9 -10.600 -7.014 7.370 1.00 19.24 C ATOM 149 C THR A 9 -10.124 -8.421 7.752 1.00 19.48 C ATOM 150 O THR A 9 -10.804 -9.422 7.498 1.00 23.14 O ATOM 151 CB THR A 9 -10.986 -6.973 5.887 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.949 -7.466 5.035 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.245 -5.503 5.545 1.00 19.70 C ATOM 0 H THR A 9 -8.873 -5.943 7.061 1.00 18.33 H new ATOM 0 HA THR A 9 -11.510 -6.745 7.906 1.00 19.24 H new ATOM 0 HB THR A 9 -11.858 -7.608 5.727 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.244 -7.421 4.101 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.525 -5.418 4.495 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.054 -5.121 6.168 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.341 -4.922 5.728 1.00 19.70 H new ATOM 161 N GLY A 10 -8.903 -8.503 8.322 1.00 19.43 N ATOM 162 CA GLY A 10 -8.360 -9.802 8.802 1.00 18.74 C ATOM 163 C GLY A 10 -7.597 -10.691 7.893 1.00 17.62 C ATOM 164 O GLY A 10 -7.825 -11.908 7.862 1.00 19.74 O ATOM 0 H GLY A 10 -8.282 -7.706 8.461 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.714 -9.584 9.652 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.203 -10.380 9.182 1.00 18.74 H new ATOM 168 N LYS A 11 -6.778 -10.109 6.992 1.00 13.56 N ATOM 169 CA LYS A 11 -5.975 -10.847 6.008 1.00 11.91 C ATOM 170 C LYS A 11 -4.679 -10.123 5.814 1.00 10.18 C ATOM 171 O LYS A 11 -4.478 -8.981 6.205 1.00 9.10 O ATOM 172 CB LYS A 11 -6.720 -11.408 4.663 1.00 13.43 C ATOM 173 CG LYS A 11 -7.117 -10.259 3.771 1.00 16.69 C ATOM 174 CD LYS A 11 -7.885 -10.556 2.472 1.00 17.92 C ATOM 175 CE LYS A 11 -7.124 -11.515 1.605 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.834 -11.862 0.387 1.00 21.93 N ATOM 0 H LYS A 11 -6.658 -9.098 6.931 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.767 -11.827 6.437 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.055 -12.083 4.125 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.603 -11.984 4.941 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.725 -9.576 4.364 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.208 -9.723 3.501 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.863 -10.974 2.711 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.059 -9.628 1.928 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.161 -11.076 1.345 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.918 -12.424 2.171 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.154 -12.186 -0.331 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.515 -12.622 0.587 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.342 -11.027 0.031 1.00 21.93 H new ATOM 190 N THR A 12 -3.704 -10.890 5.208 1.00 9.63 N ATOM 191 CA THR A 12 -2.327 -10.394 4.900 1.00 9.85 C ATOM 192 C THR A 12 -2.014 -10.912 3.531 1.00 11.66 C ATOM 193 O THR A 12 -2.264 -12.110 3.347 1.00 12.33 O ATOM 194 CB THR A 12 -1.204 -10.900 5.813 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.446 -10.260 7.107 1.00 10.91 O ATOM 196 CG2 THR A 12 0.086 -10.386 5.273 1.00 9.63 C ATOM 0 H THR A 12 -3.858 -11.858 4.926 1.00 9.63 H new ATOM 0 HA THR A 12 -2.349 -9.311 5.022 1.00 9.85 H new ATOM 0 HB THR A 12 -1.173 -11.987 5.885 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.759 -10.543 7.746 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.907 -10.730 5.903 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.228 -10.755 4.257 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.068 -9.296 5.263 1.00 9.63 H new ATOM 204 N ILE A 13 -1.557 -10.030 2.669 1.00 10.42 N ATOM 205 CA ILE A 13 -1.277 -10.382 1.248 1.00 11.84 C ATOM 206 C ILE A 13 0.120 -10.082 0.898 1.00 10.55 C ATOM 207 O ILE A 13 0.782 -9.174 1.412 1.00 11.92 O ATOM 208 CB ILE A 13 -2.204 -9.713 0.243 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.067 -8.157 0.373 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.607 -10.185 0.595 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.927 -7.339 -0.618 1.00 16.46 C ATOM 0 H ILE A 13 -1.363 -9.057 2.904 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.463 -11.454 1.181 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.965 -9.970 -0.789 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.336 -7.868 1.389 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.021 -7.887 0.231 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.325 -9.738 -0.093 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.656 -11.271 0.516 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.847 -9.884 1.615 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.763 -6.275 -0.449 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.644 -7.592 -1.640 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.981 -7.573 -0.464 1.00 16.46 H new ATOM 223 N THR A 14 0.718 -10.970 0.077 1.00 9.39 N ATOM 224 CA THR A 14 2.151 -10.887 -0.295 1.00 9.63 C ATOM 225 C THR A 14 2.200 -10.279 -1.667 1.00 11.20 C ATOM 226 O THR A 14 1.817 -10.873 -2.711 1.00 11.63 O ATOM 227 CB THR A 14 2.892 -12.185 -0.373 1.00 10.38 C ATOM 228 OG1 THR A 14 2.687 -13.061 0.714 1.00 16.30 O ATOM 229 CG2 THR A 14 4.407 -11.916 -0.558 1.00 11.66 C ATOM 0 H THR A 14 0.229 -11.759 -0.345 1.00 9.39 H new ATOM 0 HA THR A 14 2.636 -10.314 0.495 1.00 9.63 H new ATOM 0 HB THR A 14 2.477 -12.702 -1.238 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.207 -13.880 0.577 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.941 -12.865 -0.614 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.567 -11.355 -1.478 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.780 -11.339 0.288 1.00 11.66 H new ATOM 237 N LEU A 15 2.733 -9.055 -1.775 1.00 8.29 N ATOM 238 CA LEU A 15 2.968 -8.445 -3.095 1.00 9.03 C ATOM 239 C LEU A 15 4.415 -8.596 -3.585 1.00 8.59 C ATOM 240 O LEU A 15 5.381 -8.612 -2.823 1.00 7.79 O ATOM 241 CB LEU A 15 2.638 -6.957 -3.122 1.00 11.08 C ATOM 242 CG LEU A 15 1.289 -6.504 -2.433 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.219 -4.926 -2.321 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.082 -7.062 -3.165 1.00 15.27 C ATOM 0 H LEU A 15 3.006 -8.475 -0.982 1.00 8.29 H new ATOM 0 HA LEU A 15 2.298 -8.994 -3.757 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.458 -6.420 -2.645 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.610 -6.636 -4.163 1.00 11.08 H new ATOM 0 HG LEU A 15 1.272 -6.912 -1.423 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.283 -4.636 -1.844 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.057 -4.566 -1.724 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.269 -4.488 -3.318 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.830 -6.733 -2.667 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.083 -6.703 -4.194 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.125 -8.151 -3.160 1.00 15.27 H new ATOM 256 N GLU A 16 4.629 -8.656 -4.912 1.00 11.04 N ATOM 257 CA GLU A 16 5.976 -8.602 -5.497 1.00 11.50 C ATOM 258 C GLU A 16 6.244 -7.229 -6.078 1.00 10.13 C ATOM 259 O GLU A 16 5.528 -6.820 -6.988 1.00 9.83 O ATOM 260 CB GLU A 16 6.044 -9.664 -6.614 1.00 17.22 C ATOM 261 CG GLU A 16 7.451 -9.785 -7.387 1.00 23.33 C ATOM 262 CD GLU A 16 8.635 -10.175 -6.527 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.670 -11.269 -5.891 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.627 -9.402 -6.549 1.00 28.90 O ATOM 0 H GLU A 16 3.881 -8.742 -5.600 1.00 11.04 H new ATOM 0 HA GLU A 16 6.727 -8.798 -4.731 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.806 -10.635 -6.180 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.267 -9.443 -7.346 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.346 -10.520 -8.185 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.668 -8.828 -7.862 1.00 23.33 H new ATOM 271 N VAL A 17 7.254 -6.517 -5.565 1.00 8.99 N ATOM 272 CA VAL A 17 7.458 -5.104 -5.905 1.00 8.85 C ATOM 273 C VAL A 17 8.883 -4.737 -6.099 1.00 8.04 C ATOM 274 O VAL A 17 9.820 -5.326 -5.493 1.00 8.99 O ATOM 275 CB VAL A 17 6.889 -4.078 -4.854 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.425 -4.271 -4.817 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.450 -4.430 -3.430 1.00 10.54 C ATOM 0 H VAL A 17 7.942 -6.895 -4.914 1.00 8.99 H new ATOM 0 HA VAL A 17 6.900 -5.026 -6.838 1.00 8.85 H new ATOM 0 HB VAL A 17 7.165 -3.058 -5.122 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.985 -3.579 -4.099 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.008 -4.082 -5.806 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.200 -5.295 -4.518 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.059 -3.722 -2.699 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.143 -5.440 -3.157 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.538 -4.373 -3.443 1.00 10.54 H new ATOM 287 N GLU A 18 9.103 -3.739 -6.905 1.00 7.29 N ATOM 288 CA GLU A 18 10.421 -3.144 -6.999 1.00 7.08 C ATOM 289 C GLU A 18 10.523 -2.000 -6.005 1.00 6.45 C ATOM 290 O GLU A 18 9.503 -1.380 -5.915 1.00 5.28 O ATOM 291 CB GLU A 18 10.755 -2.693 -8.399 1.00 10.28 C ATOM 292 CG GLU A 18 10.551 -3.731 -9.534 1.00 12.65 C ATOM 293 CD GLU A 18 11.423 -3.573 -10.704 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.216 -2.617 -11.502 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.248 -4.470 -10.989 1.00 18.17 O ATOM 0 H GLU A 18 8.397 -3.316 -7.507 1.00 7.29 H new ATOM 0 HA GLU A 18 11.159 -3.907 -6.751 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.149 -1.816 -8.627 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.797 -2.373 -8.414 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.704 -4.728 -9.121 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.514 -3.680 -9.867 1.00 12.65 H new ATOM 302 N PRO A 19 11.613 -1.633 -5.278 1.00 7.24 N ATOM 303 CA PRO A 19 11.637 -0.555 -4.315 1.00 7.07 C ATOM 304 C PRO A 19 11.494 0.802 -4.973 1.00 6.65 C ATOM 305 O PRO A 19 11.161 1.752 -4.316 1.00 6.37 O ATOM 306 CB PRO A 19 13.001 -0.720 -3.683 1.00 7.61 C ATOM 307 CG PRO A 19 13.880 -1.375 -4.824 1.00 8.16 C ATOM 308 CD PRO A 19 12.891 -2.308 -5.453 1.00 7.49 C ATOM 0 HA PRO A 19 10.812 -0.598 -3.603 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.411 0.238 -3.365 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.956 -1.357 -2.799 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.255 -0.635 -5.531 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.747 -1.902 -4.425 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.114 -2.475 -6.507 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.897 -3.284 -4.967 1.00 7.49 H new ATOM 316 N SER A 20 11.626 0.891 -6.303 1.00 6.80 N ATOM 317 CA SER A 20 11.433 2.164 -7.051 1.00 6.28 C ATOM 318 C SER A 20 10.052 2.273 -7.596 1.00 8.45 C ATOM 319 O SER A 20 9.658 3.231 -8.201 1.00 7.26 O ATOM 320 CB SER A 20 12.432 2.313 -8.248 1.00 8.57 C ATOM 321 OG SER A 20 13.834 2.112 -7.881 1.00 11.13 O ATOM 0 H SER A 20 11.867 0.097 -6.896 1.00 6.80 H new ATOM 0 HA SER A 20 11.618 2.957 -6.326 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.164 1.596 -9.023 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.319 3.307 -8.681 1.00 8.57 H new ATOM 0 HG SER A 20 14.398 2.218 -8.675 1.00 11.13 H new ATOM 327 N ASP A 21 9.205 1.212 -7.385 1.00 7.50 N ATOM 328 CA ASP A 21 7.769 1.278 -7.688 1.00 7.70 C ATOM 329 C ASP A 21 7.207 2.304 -6.790 1.00 7.08 C ATOM 330 O ASP A 21 7.623 2.484 -5.644 1.00 8.11 O ATOM 331 CB ASP A 21 7.017 -0.107 -7.469 1.00 11.00 C ATOM 332 CG ASP A 21 7.454 -1.153 -8.479 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.965 -0.734 -9.546 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.043 -2.339 -8.318 1.00 14.36 O ATOM 0 H ASP A 21 9.509 0.314 -7.008 1.00 7.50 H new ATOM 0 HA ASP A 21 7.632 1.521 -8.742 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.213 -0.471 -6.461 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.941 0.047 -7.548 1.00 11.00 H new ATOM 339 N THR A 22 6.284 3.146 -7.290 1.00 5.37 N ATOM 340 CA THR A 22 5.488 4.093 -6.477 1.00 6.01 C ATOM 341 C THR A 22 4.345 3.469 -5.685 1.00 8.01 C ATOM 342 O THR A 22 3.766 2.423 -5.968 1.00 8.11 O ATOM 343 CB THR A 22 4.993 5.326 -7.206 1.00 8.92 C ATOM 344 OG1 THR A 22 4.147 4.988 -8.320 1.00 10.22 O ATOM 345 CG2 THR A 22 6.132 6.155 -7.770 1.00 9.65 C ATOM 0 H THR A 22 6.065 3.191 -8.285 1.00 5.37 H new ATOM 0 HA THR A 22 6.242 4.423 -5.762 1.00 6.01 H new ATOM 0 HB THR A 22 4.441 5.893 -6.456 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.847 5.809 -8.763 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.728 7.027 -8.283 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.782 6.481 -6.958 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.706 5.553 -8.475 1.00 9.65 H new ATOM 353 N ILE A 23 3.924 4.129 -4.584 1.00 8.32 N ATOM 354 CA ILE A 23 2.690 3.765 -3.823 1.00 9.92 C ATOM 355 C ILE A 23 1.380 3.692 -4.569 1.00 10.01 C ATOM 356 O ILE A 23 0.610 2.788 -4.358 1.00 8.71 O ATOM 357 CB ILE A 23 2.512 4.738 -2.647 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.796 4.670 -1.722 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.279 4.550 -1.791 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.086 3.343 -1.091 1.00 12.30 C ATOM 0 H ILE A 23 4.422 4.928 -4.192 1.00 8.32 H new ATOM 0 HA ILE A 23 2.887 2.735 -3.527 1.00 9.92 H new ATOM 0 HB ILE A 23 2.376 5.713 -3.115 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.662 4.964 -2.315 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.687 5.410 -0.929 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.270 5.297 -0.997 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.387 4.665 -2.407 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.290 3.553 -1.351 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.987 3.419 -0.482 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.246 3.048 -0.462 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.236 2.595 -1.869 1.00 12.30 H new ATOM 372 N GLU A 24 1.118 4.584 -5.538 1.00 9.54 N ATOM 373 CA GLU A 24 -0.021 4.447 -6.442 1.00 11.81 C ATOM 374 C GLU A 24 -0.074 3.073 -7.169 1.00 11.14 C ATOM 375 O GLU A 24 -1.112 2.448 -7.335 1.00 10.62 O ATOM 376 CB GLU A 24 0.014 5.654 -7.380 1.00 19.24 C ATOM 377 CG GLU A 24 -1.343 5.801 -8.199 1.00 27.76 C ATOM 378 CD GLU A 24 -1.331 6.916 -9.206 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.493 8.110 -8.839 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.221 6.595 -10.434 1.00 36.51 O ATOM 0 H GLU A 24 1.688 5.412 -5.711 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.955 4.447 -5.881 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.190 6.560 -6.801 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.849 5.552 -8.074 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.548 4.862 -8.714 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.162 5.966 -7.499 1.00 27.76 H new ATOM 387 N ASN A 25 1.138 2.684 -7.630 1.00 9.43 N ATOM 388 CA ASN A 25 1.362 1.527 -8.373 1.00 10.96 C ATOM 389 C ASN A 25 1.215 0.298 -7.514 1.00 9.68 C ATOM 390 O ASN A 25 0.725 -0.745 -7.986 1.00 9.33 O ATOM 391 CB ASN A 25 2.787 1.494 -9.010 1.00 16.78 C ATOM 392 CG ASN A 25 2.869 0.396 -10.072 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.056 -0.790 -9.766 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.762 0.796 -11.356 1.00 24.70 N ATOM 0 H ASN A 25 1.988 3.222 -7.461 1.00 9.43 H new ATOM 0 HA ASN A 25 0.615 1.534 -9.167 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.015 2.461 -9.459 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.534 1.318 -8.236 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.835 0.114 -12.111 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.608 1.781 -11.572 1.00 24.70 H new ATOM 401 N VAL A 26 1.587 0.345 -6.236 1.00 6.52 N ATOM 402 CA VAL A 26 1.317 -0.665 -5.224 1.00 5.53 C ATOM 403 C VAL A 26 -0.174 -0.789 -5.039 1.00 4.42 C ATOM 404 O VAL A 26 -0.684 -1.890 -4.971 1.00 3.40 O ATOM 405 CB VAL A 26 2.061 -0.381 -3.916 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.546 -1.230 -2.720 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.537 -0.771 -4.247 1.00 8.12 C ATOM 0 H VAL A 26 2.114 1.134 -5.862 1.00 6.52 H new ATOM 0 HA VAL A 26 1.700 -1.627 -5.564 1.00 5.53 H new ATOM 0 HB VAL A 26 1.926 0.654 -3.603 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.115 -0.980 -1.825 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.491 -1.017 -2.550 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.671 -2.289 -2.945 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.163 -0.605 -3.370 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.581 -1.823 -4.530 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.899 -0.158 -5.072 1.00 8.12 H new ATOM 417 N LYS A 27 -0.932 0.290 -4.983 1.00 2.64 N ATOM 418 CA LYS A 27 -2.427 0.166 -4.970 1.00 4.14 C ATOM 419 C LYS A 27 -3.023 -0.433 -6.180 1.00 5.58 C ATOM 420 O LYS A 27 -3.978 -1.195 -6.043 1.00 4.11 O ATOM 421 CB LYS A 27 -3.097 1.480 -4.650 1.00 3.97 C ATOM 422 CG LYS A 27 -2.537 2.067 -3.345 1.00 7.45 C ATOM 423 CD LYS A 27 -3.114 3.498 -3.110 1.00 9.02 C ATOM 424 CE LYS A 27 -2.471 4.245 -1.977 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.142 5.462 -1.598 1.00 15.47 N ATOM 0 H LYS A 27 -0.578 1.246 -4.946 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.621 -0.546 -4.168 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.941 2.183 -5.468 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.173 1.333 -4.557 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.794 1.420 -2.506 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.449 2.108 -3.393 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.998 4.079 -4.025 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.184 3.419 -2.917 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.422 3.588 -1.109 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.444 4.484 -2.254 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.691 5.857 -0.748 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.078 6.150 -2.375 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.142 5.259 -1.397 1.00 15.47 H new ATOM 439 N ALA A 28 -2.343 -0.259 -7.351 1.00 6.61 N ATOM 440 CA ALA A 28 -2.762 -0.930 -8.531 1.00 7.74 C ATOM 441 C ALA A 28 -2.544 -2.434 -8.524 1.00 9.17 C ATOM 442 O ALA A 28 -3.304 -3.174 -9.160 1.00 11.45 O ATOM 443 CB ALA A 28 -2.093 -0.326 -9.733 1.00 7.68 C ATOM 0 H ALA A 28 -1.523 0.337 -7.462 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.842 -0.789 -8.574 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.421 -0.847 -10.632 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.360 0.728 -9.807 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.012 -0.420 -9.633 1.00 7.68 H new ATOM 449 N LYS A 29 -1.527 -2.935 -7.814 1.00 8.96 N ATOM 450 CA LYS A 29 -1.148 -4.328 -7.584 1.00 7.90 C ATOM 451 C LYS A 29 -2.143 -4.982 -6.648 1.00 6.92 C ATOM 452 O LYS A 29 -2.669 -6.067 -6.967 1.00 6.87 O ATOM 453 CB LYS A 29 0.322 -4.336 -7.137 1.00 10.28 C ATOM 454 CG LYS A 29 0.945 -5.721 -7.047 1.00 14.94 C ATOM 455 CD LYS A 29 2.465 -5.770 -7.274 1.00 19.69 C ATOM 456 CE LYS A 29 2.847 -5.626 -8.753 1.00 22.63 C ATOM 457 NZ LYS A 29 4.269 -5.491 -9.024 1.00 24.98 N ATOM 0 H LYS A 29 -0.883 -2.305 -7.337 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.196 -4.944 -8.482 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.904 -3.734 -7.835 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.395 -3.854 -6.162 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.727 -6.137 -6.063 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.463 -6.367 -7.781 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.940 -4.974 -6.701 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.855 -6.713 -6.892 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.474 -6.496 -9.293 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.334 -4.755 -9.159 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.524 -6.081 -9.842 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.490 -4.496 -9.232 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.812 -5.800 -8.192 1.00 24.98 H new ATOM 471 N ILE A 30 -2.572 -4.226 -5.560 1.00 4.57 N ATOM 472 CA ILE A 30 -3.681 -4.567 -4.654 1.00 5.58 C ATOM 473 C ILE A 30 -4.999 -4.617 -5.409 1.00 7.26 C ATOM 474 O ILE A 30 -5.676 -5.620 -5.204 1.00 9.46 O ATOM 475 CB ILE A 30 -3.672 -3.632 -3.467 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.350 -3.803 -2.665 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.881 -3.976 -2.532 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.019 -2.646 -1.690 1.00 2.00 C ATOM 0 H ILE A 30 -2.123 -3.345 -5.309 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.548 -5.572 -4.253 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.750 -2.604 -3.821 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.405 -4.732 -2.097 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.526 -3.910 -3.371 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.880 -3.304 -1.674 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.813 -3.857 -3.084 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.792 -5.006 -2.187 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.080 -2.858 -1.179 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.926 -1.715 -2.249 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.818 -2.550 -0.955 1.00 2.00 H new ATOM 490 N GLN A 31 -5.299 -3.702 -6.373 1.00 7.06 N ATOM 491 CA GLN A 31 -6.409 -3.816 -7.277 1.00 8.67 C ATOM 492 C GLN A 31 -6.428 -5.095 -8.170 1.00 10.90 C ATOM 493 O GLN A 31 -7.447 -5.777 -8.369 1.00 9.63 O ATOM 494 CB GLN A 31 -6.520 -2.558 -8.209 1.00 9.12 C ATOM 495 CG GLN A 31 -7.694 -2.442 -9.252 1.00 10.76 C ATOM 496 CD GLN A 31 -7.848 -1.039 -9.974 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.863 -0.360 -9.816 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.725 -0.607 -10.612 1.00 14.76 N ATOM 0 H GLN A 31 -4.746 -2.858 -6.521 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.267 -3.892 -6.609 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.575 -1.682 -7.563 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.586 -2.486 -8.766 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.552 -3.207 -10.015 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.630 -2.670 -8.742 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.921 -1.227 -10.705 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.688 0.337 -10.997 1.00 14.76 H new ATOM 507 N ASP A 32 -5.257 -5.418 -8.658 1.00 10.93 N ATOM 508 CA ASP A 32 -5.062 -6.597 -9.510 1.00 14.01 C ATOM 509 C ASP A 32 -5.260 -7.909 -8.757 1.00 14.04 C ATOM 510 O ASP A 32 -5.962 -8.783 -9.230 1.00 13.39 O ATOM 511 CB ASP A 32 -3.680 -6.481 -10.199 1.00 18.01 C ATOM 512 CG ASP A 32 -3.304 -7.283 -11.407 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.825 -6.931 -12.542 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.593 -8.359 -11.302 1.00 25.17 O ATOM 0 H ASP A 32 -4.406 -4.883 -8.485 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.833 -6.619 -10.280 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.557 -5.433 -10.472 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.934 -6.702 -9.436 1.00 18.01 H new ATOM 519 N LYS A 33 -4.727 -7.982 -7.550 1.00 14.22 N ATOM 520 CA LYS A 33 -4.897 -9.149 -6.659 1.00 14.00 C ATOM 521 C LYS A 33 -6.248 -9.209 -5.928 1.00 12.37 C ATOM 522 O LYS A 33 -6.914 -10.243 -6.000 1.00 12.17 O ATOM 523 CB LYS A 33 -3.797 -9.060 -5.546 1.00 18.62 C ATOM 524 CG LYS A 33 -3.693 -10.273 -4.644 1.00 24.00 C ATOM 525 CD LYS A 33 -2.484 -10.148 -3.715 1.00 27.61 C ATOM 526 CE LYS A 33 -1.104 -10.468 -4.347 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.907 -11.895 -4.665 1.00 30.06 N ATOM 0 H LYS A 33 -4.159 -7.238 -7.145 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.829 -10.031 -7.296 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.831 -8.899 -6.024 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.997 -8.184 -4.929 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.604 -10.374 -4.054 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.603 -11.176 -5.248 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.455 -9.131 -3.324 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.634 -10.813 -2.864 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.989 -9.884 -5.260 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.319 -10.147 -3.662 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.036 -12.031 -5.083 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.984 -12.459 -3.794 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.634 -12.203 -5.342 1.00 30.06 H new ATOM 541 N GLU A 34 -6.673 -8.109 -5.284 1.00 10.11 N ATOM 542 CA GLU A 34 -7.837 -8.105 -4.381 1.00 10.07 C ATOM 543 C GLU A 34 -9.070 -7.329 -4.856 1.00 9.32 C ATOM 544 O GLU A 34 -10.102 -7.342 -4.135 1.00 11.61 O ATOM 545 CB GLU A 34 -7.356 -7.516 -3.006 1.00 14.77 C ATOM 546 CG GLU A 34 -6.484 -8.491 -2.211 1.00 18.75 C ATOM 547 CD GLU A 34 -7.127 -9.787 -1.718 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.274 -9.729 -1.223 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.473 -10.860 -1.974 1.00 21.95 O ATOM 0 H GLU A 34 -6.221 -7.199 -5.374 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.180 -9.138 -4.325 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.795 -6.599 -3.186 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.226 -7.245 -2.408 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.629 -8.757 -2.832 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.094 -7.960 -1.343 1.00 18.75 H new ATOM 556 N GLY A 35 -9.072 -6.693 -6.056 1.00 7.22 N ATOM 557 CA GLY A 35 -10.296 -6.088 -6.596 1.00 6.29 C ATOM 558 C GLY A 35 -10.640 -4.849 -6.024 1.00 6.93 C ATOM 559 O GLY A 35 -11.718 -4.327 -6.211 1.00 7.41 O ATOM 0 H GLY A 35 -8.250 -6.592 -6.652 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.176 -5.956 -7.671 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.123 -6.783 -6.450 1.00 6.29 H new ATOM 563 N ILE A 36 -9.700 -4.231 -5.264 1.00 5.86 N ATOM 564 CA ILE A 36 -9.994 -3.029 -4.533 1.00 6.07 C ATOM 565 C ILE A 36 -9.634 -1.821 -5.366 1.00 6.36 C ATOM 566 O ILE A 36 -8.403 -1.728 -5.694 1.00 6.18 O ATOM 567 CB ILE A 36 -9.439 -2.898 -3.103 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.504 -4.277 -2.462 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.217 -1.775 -2.238 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.902 -4.339 -1.091 1.00 9.49 C ATOM 0 H ILE A 36 -8.742 -4.565 -5.159 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.068 -3.094 -4.358 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.406 -2.552 -3.135 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.546 -4.591 -2.405 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.990 -4.991 -3.106 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.786 -1.723 -1.238 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.117 -0.806 -2.727 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.272 -2.038 -2.165 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.987 -5.354 -0.702 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.850 -4.057 -1.142 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.430 -3.652 -0.430 1.00 9.49 H new ATOM 582 N PRO A 37 -10.498 -0.898 -5.786 1.00 8.65 N ATOM 583 CA PRO A 37 -10.083 0.329 -6.428 1.00 9.18 C ATOM 584 C PRO A 37 -9.132 1.212 -5.577 1.00 9.85 C ATOM 585 O PRO A 37 -9.306 1.270 -4.356 1.00 8.51 O ATOM 586 CB PRO A 37 -11.419 1.039 -6.723 1.00 11.42 C ATOM 587 CG PRO A 37 -12.420 -0.132 -6.905 1.00 9.27 C ATOM 588 CD PRO A 37 -11.944 -1.065 -5.808 1.00 8.33 C ATOM 0 HA PRO A 37 -9.483 0.129 -7.316 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.714 1.695 -5.904 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.356 1.656 -7.619 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.455 0.180 -6.765 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.354 -0.585 -7.894 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.388 -0.806 -4.847 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.221 -2.098 -6.018 1.00 8.33 H new ATOM 596 N PRO A 38 -8.132 1.973 -6.133 1.00 8.71 N ATOM 597 CA PRO A 38 -7.163 2.674 -5.305 1.00 9.08 C ATOM 598 C PRO A 38 -7.703 3.768 -4.340 1.00 9.28 C ATOM 599 O PRO A 38 -7.095 4.037 -3.297 1.00 6.50 O ATOM 600 CB PRO A 38 -6.154 3.223 -6.304 1.00 10.31 C ATOM 601 CG PRO A 38 -6.158 2.255 -7.407 1.00 10.81 C ATOM 602 CD PRO A 38 -7.509 1.623 -7.387 1.00 12.00 C ATOM 0 HA PRO A 38 -6.743 1.977 -4.580 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.439 4.217 -6.649 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.163 3.312 -5.858 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.971 2.748 -8.361 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.375 1.508 -7.275 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.110 1.975 -8.225 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.428 0.541 -7.486 1.00 12.00 H new ATOM 610 N ASP A 39 -8.785 4.476 -4.775 1.00 11.20 N ATOM 611 CA ASP A 39 -9.446 5.543 -4.078 1.00 14.96 C ATOM 612 C ASP A 39 -10.089 5.133 -2.732 1.00 13.99 C ATOM 613 O ASP A 39 -10.286 5.898 -1.778 1.00 13.75 O ATOM 614 CB ASP A 39 -10.591 6.205 -4.964 1.00 24.16 C ATOM 615 CG ASP A 39 -9.852 6.997 -6.088 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.887 7.685 -5.756 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.218 6.863 -7.289 1.00 35.55 O ATOM 0 H ASP A 39 -9.220 4.281 -5.677 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.642 6.249 -3.873 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.247 5.445 -5.388 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.216 6.867 -4.365 1.00 24.16 H new ATOM 622 N GLN A 40 -10.332 3.831 -2.605 1.00 11.60 N ATOM 623 CA GLN A 40 -10.744 3.178 -1.402 1.00 10.76 C ATOM 624 C GLN A 40 -9.607 2.754 -0.514 1.00 8.01 C ATOM 625 O GLN A 40 -9.858 2.541 0.669 1.00 8.96 O ATOM 626 CB GLN A 40 -11.636 1.955 -1.793 1.00 11.14 C ATOM 627 CG GLN A 40 -12.822 2.242 -2.710 1.00 14.85 C ATOM 628 CD GLN A 40 -13.534 0.909 -3.082 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.363 -0.156 -2.447 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.509 0.965 -4.006 1.00 18.16 N ATOM 0 H GLN A 40 -10.237 3.185 -3.389 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.306 3.898 -0.808 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.003 1.212 -2.277 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.015 1.502 -0.877 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.523 2.913 -2.214 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.481 2.748 -3.613 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.663 1.824 -4.533 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.095 0.148 -4.180 1.00 18.16 H new ATOM 639 N GLN A 41 -8.377 2.710 -1.011 1.00 6.52 N ATOM 640 CA GLN A 41 -7.207 2.300 -0.325 1.00 3.87 C ATOM 641 C GLN A 41 -6.437 3.482 0.279 1.00 4.79 C ATOM 642 O GLN A 41 -6.100 4.461 -0.373 1.00 6.34 O ATOM 643 CB GLN A 41 -6.140 1.579 -1.215 1.00 4.20 C ATOM 644 CG GLN A 41 -6.778 0.281 -1.803 1.00 3.20 C ATOM 645 CD GLN A 41 -5.734 -0.384 -2.719 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.564 -0.510 -2.429 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.194 -0.988 -3.833 1.00 7.13 N ATOM 0 H GLN A 41 -8.182 2.984 -1.974 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.613 1.620 0.424 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.811 2.237 -2.019 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.258 1.333 -0.624 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.070 -0.398 -1.002 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.681 0.520 -2.364 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.175 -0.895 -4.095 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.561 -1.538 -4.413 1.00 7.13 H new ATOM 656 N ARG A 42 -6.051 3.295 1.550 1.00 5.73 N ATOM 657 CA ARG A 42 -5.228 4.169 2.365 1.00 6.97 C ATOM 658 C ARG A 42 -4.173 3.292 3.041 1.00 7.15 C ATOM 659 O ARG A 42 -4.501 2.255 3.605 1.00 7.33 O ATOM 660 CB ARG A 42 -6.158 4.817 3.454 1.00 13.23 C ATOM 661 CG ARG A 42 -7.299 5.682 2.877 1.00 21.27 C ATOM 662 CD ARG A 42 -7.842 6.597 3.980 1.00 26.14 C ATOM 663 NE ARG A 42 -8.552 7.739 3.425 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.660 8.195 4.040 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.052 7.946 5.290 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.399 9.009 3.289 1.00 36.39 N ATOM 0 H ARG A 42 -6.334 2.461 2.064 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.747 4.951 1.778 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.591 4.024 4.064 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.549 5.433 4.116 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.933 6.278 2.041 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.095 5.045 2.491 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.512 6.030 4.627 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.018 6.947 4.602 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.213 8.191 2.576 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.486 7.349 5.893 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.918 8.353 5.644 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.105 9.233 2.339 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.259 9.408 3.664 1.00 36.39 H new ATOM 680 N LEU A 43 -2.868 3.621 2.889 1.00 4.65 N ATOM 681 CA LEU A 43 -1.862 2.747 3.227 1.00 3.51 C ATOM 682 C LEU A 43 -1.088 3.436 4.323 1.00 5.56 C ATOM 683 O LEU A 43 -0.748 4.628 4.163 1.00 4.19 O ATOM 684 CB LEU A 43 -0.957 2.419 2.037 1.00 3.74 C ATOM 685 CG LEU A 43 -0.139 1.040 2.032 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.852 -0.286 2.293 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.511 1.035 0.692 1.00 6.41 C ATOM 0 H LEU A 43 -2.544 4.516 2.523 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.269 1.789 3.551 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.576 2.436 1.140 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.234 3.229 1.942 1.00 3.74 H new ATOM 0 HG LEU A 43 0.512 1.053 2.906 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.131 -1.102 2.248 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.313 -0.263 3.281 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.622 -0.440 1.537 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.103 0.127 0.578 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.254 1.069 -0.084 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.160 1.905 0.599 1.00 6.41 H new ATOM 699 N ILE A 44 -0.831 2.658 5.419 1.00 4.58 N ATOM 700 CA ILE A 44 -0.295 3.165 6.673 1.00 5.55 C ATOM 701 C ILE A 44 1.037 2.506 6.883 1.00 5.46 C ATOM 702 O ILE A 44 1.205 1.284 6.976 1.00 6.04 O ATOM 703 CB ILE A 44 -1.260 2.942 7.826 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.648 3.694 7.683 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.640 3.234 9.172 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.645 5.155 7.455 1.00 13.90 C ATOM 0 H ILE A 44 -1.001 1.652 5.432 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.161 4.246 6.631 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.482 1.876 7.771 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.190 3.232 6.858 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.222 3.502 8.589 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.375 3.058 9.957 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.219 2.581 9.326 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.316 4.274 9.205 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.672 5.514 7.380 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.147 5.652 8.287 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.114 5.378 6.529 1.00 13.90 H new ATOM 718 N PHE A 45 2.144 3.309 7.135 1.00 6.75 N ATOM 719 CA PHE A 45 3.366 2.720 7.566 1.00 4.70 C ATOM 720 C PHE A 45 4.152 3.711 8.428 1.00 6.34 C ATOM 721 O PHE A 45 4.209 4.910 8.128 1.00 5.45 O ATOM 722 CB PHE A 45 4.243 2.367 6.372 1.00 5.51 C ATOM 723 CG PHE A 45 5.583 1.739 6.807 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.655 0.501 7.491 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.748 2.453 6.449 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.851 -0.098 7.669 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.991 1.870 6.822 1.00 6.64 C ATOM 728 CZ PHE A 45 8.033 0.685 7.458 1.00 6.84 C ATOM 0 H PHE A 45 2.162 4.324 7.035 1.00 6.75 H new ATOM 0 HA PHE A 45 3.116 1.823 8.132 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.710 1.672 5.723 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.437 3.265 5.786 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.756 0.038 7.869 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.698 3.393 5.919 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.916 -1.136 7.961 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.912 2.385 6.592 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.981 0.314 7.819 1.00 6.84 H new ATOM 738 N ALA A 46 4.658 3.250 9.581 1.00 6.53 N ATOM 739 CA ALA A 46 5.275 3.961 10.691 1.00 7.15 C ATOM 740 C ALA A 46 4.554 5.273 11.091 1.00 9.00 C ATOM 741 O ALA A 46 5.163 6.369 11.299 1.00 11.15 O ATOM 742 CB ALA A 46 6.862 4.232 10.397 1.00 8.99 C ATOM 0 H ALA A 46 4.638 2.248 9.772 1.00 6.53 H new ATOM 0 HA ALA A 46 5.174 3.301 11.553 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.302 4.765 11.240 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.375 3.280 10.262 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.967 4.832 9.493 1.00 8.99 H new ATOM 748 N GLY A 47 3.223 5.261 11.377 1.00 9.35 N ATOM 749 CA GLY A 47 2.493 6.495 11.837 1.00 11.68 C ATOM 750 C GLY A 47 2.155 7.425 10.700 1.00 11.14 C ATOM 751 O GLY A 47 1.587 8.467 10.974 1.00 13.93 O ATOM 0 H GLY A 47 2.635 4.431 11.302 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.575 6.201 12.347 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.106 7.025 12.565 1.00 11.68 H new ATOM 755 N LYS A 48 2.438 7.119 9.425 1.00 10.47 N ATOM 756 CA LYS A 48 2.091 7.931 8.239 1.00 8.82 C ATOM 757 C LYS A 48 1.192 7.187 7.220 1.00 7.68 C ATOM 758 O LYS A 48 1.473 6.104 6.857 1.00 6.47 O ATOM 759 CB LYS A 48 3.356 8.469 7.510 1.00 9.74 C ATOM 760 CG LYS A 48 4.301 9.341 8.308 1.00 14.14 C ATOM 761 CD LYS A 48 5.466 9.806 7.469 1.00 16.32 C ATOM 762 CE LYS A 48 6.376 10.772 8.253 1.00 20.04 C ATOM 763 NZ LYS A 48 7.526 11.240 7.429 1.00 23.92 N ATOM 0 H LYS A 48 2.936 6.264 9.177 1.00 10.47 H new ATOM 0 HA LYS A 48 1.518 8.769 8.636 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.920 7.614 7.138 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.027 9.037 6.640 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.761 10.206 8.694 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.671 8.785 9.170 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.046 8.944 7.140 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.095 10.301 6.572 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.793 11.631 8.585 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.749 10.274 9.148 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.115 11.888 7.991 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.096 10.422 7.133 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.171 11.737 6.588 1.00 23.92 H new ATOM 777 N GLN A 49 0.143 7.888 6.823 1.00 8.89 N ATOM 778 CA GLN A 49 -0.610 7.558 5.577 1.00 7.18 C ATOM 779 C GLN A 49 0.225 7.999 4.344 1.00 8.23 C ATOM 780 O GLN A 49 0.542 9.200 4.114 1.00 9.70 O ATOM 781 CB GLN A 49 -2.004 8.244 5.528 1.00 11.67 C ATOM 782 CG GLN A 49 -3.064 7.510 4.667 1.00 15.82 C ATOM 783 CD GLN A 49 -4.276 8.527 4.686 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.025 8.505 5.687 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.365 9.324 3.606 1.00 20.67 N ATOM 0 H GLN A 49 -0.223 8.693 7.331 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.775 6.481 5.566 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.384 8.335 6.546 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.881 9.256 5.142 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.706 7.322 3.655 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.336 6.544 5.093 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.683 9.239 2.852 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.114 10.013 3.541 1.00 20.67 H new ATOM 794 N LEU A 50 0.618 7.007 3.524 1.00 6.51 N ATOM 795 CA LEU A 50 1.646 7.190 2.530 1.00 7.41 C ATOM 796 C LEU A 50 1.089 8.013 1.436 1.00 8.27 C ATOM 797 O LEU A 50 -0.033 7.856 1.050 1.00 8.34 O ATOM 798 CB LEU A 50 2.227 5.847 1.940 1.00 7.13 C ATOM 799 CG LEU A 50 2.737 4.819 3.004 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.977 3.440 2.400 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.960 5.340 3.791 1.00 9.11 C ATOM 0 H LEU A 50 0.223 6.067 3.546 1.00 6.51 H new ATOM 0 HA LEU A 50 2.485 7.680 3.024 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.455 5.369 1.337 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.051 6.090 1.269 1.00 7.13 H new ATOM 0 HG LEU A 50 1.935 4.704 3.733 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.330 2.760 3.175 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.046 3.060 1.980 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.727 3.513 1.612 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.273 4.589 4.516 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.779 5.541 3.100 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.692 6.258 4.313 1.00 9.11 H new ATOM 813 N GLU A 51 1.908 8.929 0.859 1.00 9.43 N ATOM 814 CA GLU A 51 1.641 9.619 -0.317 1.00 11.90 C ATOM 815 C GLU A 51 1.799 8.728 -1.534 1.00 11.49 C ATOM 816 O GLU A 51 2.615 7.822 -1.691 1.00 9.88 O ATOM 817 CB GLU A 51 2.536 10.883 -0.479 1.00 16.56 C ATOM 818 CG GLU A 51 2.005 12.017 0.435 1.00 26.06 C ATOM 819 CD GLU A 51 2.872 13.277 0.357 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.843 13.287 1.092 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.538 14.215 -0.381 1.00 32.13 O ATOM 0 H GLU A 51 2.809 9.181 1.266 1.00 9.43 H new ATOM 0 HA GLU A 51 0.603 9.944 -0.245 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.568 10.646 -0.219 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.536 11.210 -1.519 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.983 12.263 0.149 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.971 11.665 1.466 1.00 26.06 H new ATOM 828 N ASP A 52 0.842 8.917 -2.470 1.00 12.71 N ATOM 829 CA ASP A 52 0.644 8.181 -3.645 1.00 16.56 C ATOM 830 C ASP A 52 1.743 8.194 -4.660 1.00 15.83 C ATOM 831 O ASP A 52 2.186 7.158 -5.250 1.00 17.21 O ATOM 832 CB ASP A 52 -0.656 8.658 -4.276 1.00 21.05 C ATOM 833 CG ASP A 52 -1.920 8.404 -3.446 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.377 7.250 -3.437 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.374 9.331 -2.741 1.00 28.37 O ATOM 0 H ASP A 52 0.153 9.663 -2.372 1.00 12.71 H new ATOM 0 HA ASP A 52 0.617 7.137 -3.332 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.576 9.728 -4.468 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.772 8.169 -5.243 1.00 21.05 H new ATOM 840 N GLY A 53 2.357 9.367 -4.856 1.00 15.00 N ATOM 841 CA GLY A 53 3.350 9.679 -5.900 1.00 11.77 C ATOM 842 C GLY A 53 4.753 9.543 -5.405 1.00 11.10 C ATOM 843 O GLY A 53 5.759 9.889 -6.053 1.00 11.25 O ATOM 0 H GLY A 53 2.166 10.171 -4.259 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.201 9.014 -6.751 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.190 10.696 -6.258 1.00 11.77 H new ATOM 847 N ARG A 54 4.978 9.041 -4.196 1.00 8.53 N ATOM 848 CA ARG A 54 6.345 8.633 -3.685 1.00 9.05 C ATOM 849 C ARG A 54 6.478 7.107 -3.708 1.00 8.96 C ATOM 850 O ARG A 54 5.488 6.397 -4.004 1.00 11.60 O ATOM 851 CB ARG A 54 6.793 9.267 -2.329 1.00 7.97 C ATOM 852 CG ARG A 54 6.406 10.689 -2.166 1.00 9.62 C ATOM 853 CD ARG A 54 6.773 11.182 -0.744 1.00 12.20 C ATOM 854 NE ARG A 54 6.017 12.520 -0.394 1.00 18.23 N ATOM 855 CZ ARG A 54 6.346 13.668 -1.073 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.451 13.760 -1.771 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.435 14.641 -0.982 1.00 23.38 N ATOM 0 H ARG A 54 4.234 8.892 -3.515 1.00 8.53 H new ATOM 0 HA ARG A 54 7.061 9.068 -4.383 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.363 8.689 -1.511 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.876 9.185 -2.243 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.913 11.300 -2.913 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.335 10.804 -2.334 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.518 10.415 -0.013 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.849 11.341 -0.677 1.00 12.20 H new ATOM 0 HE ARG A 54 5.294 12.533 0.326 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.091 12.967 -1.820 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.671 14.624 -2.266 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.583 14.493 -0.441 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.591 15.532 -1.454 1.00 23.38 H new ATOM 871 N THR A 55 7.746 6.641 -3.619 1.00 9.05 N ATOM 872 CA THR A 55 8.251 5.295 -3.827 1.00 9.03 C ATOM 873 C THR A 55 8.418 4.497 -2.510 1.00 8.15 C ATOM 874 O THR A 55 8.526 5.058 -1.400 1.00 5.91 O ATOM 875 CB THR A 55 9.512 5.129 -4.693 1.00 11.15 C ATOM 876 OG1 THR A 55 10.707 5.588 -4.065 1.00 11.95 O ATOM 877 CG2 THR A 55 9.471 6.002 -6.027 1.00 11.71 C ATOM 0 H THR A 55 8.505 7.277 -3.374 1.00 9.05 H new ATOM 0 HA THR A 55 7.444 4.873 -4.426 1.00 9.03 H new ATOM 0 HB THR A 55 9.520 4.055 -4.876 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.538 6.450 -3.631 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.388 5.842 -6.595 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.614 5.704 -6.631 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.384 7.057 -5.769 1.00 11.71 H new ATOM 885 N LEU A 56 8.430 3.116 -2.611 1.00 6.91 N ATOM 886 CA LEU A 56 8.759 2.298 -1.473 1.00 8.29 C ATOM 887 C LEU A 56 10.086 2.719 -0.765 1.00 8.05 C ATOM 888 O LEU A 56 10.201 2.906 0.427 1.00 10.17 O ATOM 889 CB LEU A 56 8.735 0.857 -1.876 1.00 6.60 C ATOM 890 CG LEU A 56 7.309 0.446 -2.280 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.350 -0.919 -2.877 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.373 0.333 -1.095 1.00 8.64 C ATOM 0 H LEU A 56 8.216 2.598 -3.463 1.00 6.91 H new ATOM 0 HA LEU A 56 7.997 2.456 -0.709 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.419 0.693 -2.709 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.081 0.235 -1.051 1.00 6.60 H new ATOM 0 HG LEU A 56 6.951 1.215 -2.965 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.343 -1.220 -3.167 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.994 -0.912 -3.756 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.743 -1.625 -2.145 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.382 0.040 -1.441 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.752 -0.418 -0.402 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.311 1.296 -0.588 1.00 8.64 H new ATOM 904 N SER A 57 11.130 2.964 -1.583 1.00 8.92 N ATOM 905 CA SER A 57 12.373 3.541 -1.163 1.00 9.00 C ATOM 906 C SER A 57 12.300 4.891 -0.381 1.00 9.44 C ATOM 907 O SER A 57 13.145 5.253 0.435 1.00 10.91 O ATOM 908 CB SER A 57 13.224 3.835 -2.437 1.00 10.32 C ATOM 909 OG SER A 57 13.997 2.640 -2.712 1.00 13.59 O ATOM 0 H SER A 57 11.106 2.750 -2.580 1.00 8.92 H new ATOM 0 HA SER A 57 12.790 2.806 -0.474 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.581 4.082 -3.282 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.880 4.690 -2.274 1.00 10.32 H new ATOM 0 HG SER A 57 14.547 2.783 -3.510 1.00 13.59 H new ATOM 915 N ASP A 58 11.319 5.765 -0.740 1.00 9.11 N ATOM 916 CA ASP A 58 11.204 7.063 -0.050 1.00 7.91 C ATOM 917 C ASP A 58 10.819 7.041 1.414 1.00 9.12 C ATOM 918 O ASP A 58 10.901 8.061 2.185 1.00 8.61 O ATOM 919 CB ASP A 58 10.146 7.986 -0.674 1.00 8.41 C ATOM 920 CG ASP A 58 10.577 8.606 -2.029 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.311 9.628 -2.027 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.195 8.062 -3.091 1.00 11.70 O ATOM 0 H ASP A 58 10.628 5.598 -1.472 1.00 9.11 H new ATOM 0 HA ASP A 58 12.231 7.412 -0.160 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.225 7.421 -0.820 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.919 8.789 0.027 1.00 8.41 H new ATOM 927 N TYR A 59 10.314 5.825 1.791 1.00 7.97 N ATOM 928 CA TYR A 59 9.858 5.532 3.132 1.00 8.45 C ATOM 929 C TYR A 59 10.660 4.357 3.809 1.00 10.98 C ATOM 930 O TYR A 59 10.124 3.814 4.800 1.00 12.95 O ATOM 931 CB TYR A 59 8.395 5.031 2.982 1.00 7.94 C ATOM 932 CG TYR A 59 7.460 6.034 2.600 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.264 7.114 3.453 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.723 6.011 1.398 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.319 8.140 3.205 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.849 7.053 1.051 1.00 6.52 C ATOM 937 CZ TYR A 59 5.690 8.180 1.927 1.00 6.76 C ATOM 938 OH TYR A 59 4.855 9.227 1.536 1.00 7.63 O ATOM 0 H TYR A 59 10.224 5.038 1.149 1.00 7.97 H new ATOM 0 HA TYR A 59 9.979 6.425 3.745 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.373 4.232 2.241 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.075 4.597 3.929 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.862 7.174 4.350 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.834 5.171 0.728 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.082 8.871 3.963 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.296 7.007 0.125 1.00 6.52 H new ATOM 0 HH TYR A 59 5.137 10.054 1.981 1.00 7.63 H new ATOM 948 N ASN A 60 11.832 3.941 3.339 1.00 12.38 N ATOM 949 CA ASN A 60 12.644 2.796 3.903 1.00 13.94 C ATOM 950 C ASN A 60 11.831 1.550 4.158 1.00 14.16 C ATOM 951 O ASN A 60 11.856 1.069 5.299 1.00 14.26 O ATOM 952 CB ASN A 60 13.579 3.129 5.079 1.00 19.23 C ATOM 953 CG ASN A 60 14.464 4.265 4.761 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.732 4.633 3.601 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.992 4.916 5.870 1.00 24.09 N ATOM 0 H ASN A 60 12.280 4.382 2.536 1.00 12.38 H new ATOM 0 HA ASN A 60 13.329 2.580 3.083 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.985 3.365 5.962 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.182 2.255 5.325 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.614 5.714 5.744 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.757 4.595 6.809 1.00 24.09 H new ATOM 962 N ILE A 61 11.178 1.106 3.091 1.00 11.08 N ATOM 963 CA ILE A 61 10.424 -0.139 3.122 1.00 11.78 C ATOM 964 C ILE A 61 11.226 -1.308 2.508 1.00 13.74 C ATOM 965 O ILE A 61 11.601 -1.281 1.358 1.00 14.60 O ATOM 966 CB ILE A 61 9.091 0.077 2.393 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.106 0.894 3.178 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.444 -1.247 1.916 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.123 1.674 2.265 1.00 11.42 C ATOM 0 H ILE A 61 11.156 1.590 2.194 1.00 11.08 H new ATOM 0 HA ILE A 61 10.229 -0.416 4.158 1.00 11.78 H new ATOM 0 HB ILE A 61 9.354 0.656 1.508 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.540 0.238 3.840 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.645 1.598 3.812 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.504 -1.030 1.408 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.120 -1.755 1.228 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.252 -1.889 2.776 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.432 2.249 2.882 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.684 2.351 1.621 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.562 0.971 1.650 1.00 11.42 H new ATOM 981 N GLN A 62 11.493 -2.312 3.393 1.00 13.97 N ATOM 982 CA GLN A 62 12.390 -3.362 3.186 1.00 15.52 C ATOM 983 C GLN A 62 11.731 -4.685 2.801 1.00 13.94 C ATOM 984 O GLN A 62 10.552 -4.878 3.180 1.00 12.15 O ATOM 985 CB GLN A 62 13.232 -3.591 4.471 1.00 19.53 C ATOM 986 CG GLN A 62 13.902 -2.370 5.032 1.00 26.38 C ATOM 987 CD GLN A 62 14.551 -2.680 6.371 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.065 -2.258 7.426 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.729 -3.268 6.307 1.00 32.71 N ATOM 0 H GLN A 62 11.035 -2.364 4.303 1.00 13.97 H new ATOM 0 HA GLN A 62 13.010 -3.057 2.343 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.583 -4.013 5.239 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.997 -4.337 4.255 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.656 -2.009 4.332 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.170 -1.571 5.153 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.086 -3.599 5.411 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.284 -3.392 7.154 1.00 32.71 H new ATOM 998 N LYS A 63 12.455 -5.618 2.125 1.00 11.73 N ATOM 999 CA LYS A 63 11.966 -6.970 1.805 1.00 11.97 C ATOM 1000 C LYS A 63 11.264 -7.636 2.926 1.00 10.41 C ATOM 1001 O LYS A 63 11.847 -7.838 3.981 1.00 9.59 O ATOM 1002 CB LYS A 63 13.202 -7.798 1.305 1.00 13.73 C ATOM 1003 CG LYS A 63 12.793 -9.227 0.939 1.00 16.98 C ATOM 1004 CD LYS A 63 14.014 -10.040 0.469 1.00 20.19 C ATOM 1005 CE LYS A 63 14.726 -10.934 1.455 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.889 -12.119 1.776 1.00 25.97 N ATOM 0 H LYS A 63 13.402 -5.442 1.788 1.00 11.73 H new ATOM 0 HA LYS A 63 11.203 -6.900 1.030 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.645 -7.309 0.437 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.966 -7.822 2.082 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.337 -9.712 1.802 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.040 -9.204 0.151 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.692 -10.663 -0.366 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.747 -9.335 0.077 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.681 -11.257 1.040 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.946 -10.378 2.367 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.503 -12.935 1.970 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.307 -11.916 2.614 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.270 -12.336 0.969 1.00 25.97 H new ATOM 1020 N GLU A 64 9.980 -7.979 2.700 1.00 10.04 N ATOM 1021 CA GLU A 64 9.050 -8.698 3.574 1.00 10.94 C ATOM 1022 C GLU A 64 8.512 -7.841 4.720 1.00 9.74 C ATOM 1023 O GLU A 64 7.909 -8.339 5.629 1.00 9.42 O ATOM 1024 CB GLU A 64 9.631 -10.095 4.075 1.00 18.31 C ATOM 1025 CG GLU A 64 9.625 -11.187 2.969 1.00 24.16 C ATOM 1026 CD GLU A 64 10.691 -12.230 3.167 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.842 -11.962 3.512 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.327 -13.427 2.993 1.00 31.72 O ATOM 0 H GLU A 64 9.533 -7.734 1.817 1.00 10.04 H new ATOM 0 HA GLU A 64 8.187 -8.931 2.951 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.651 -9.951 4.431 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.043 -10.443 4.925 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.649 -11.672 2.950 1.00 24.16 H new ATOM 0 HG3 GLU A 64 9.764 -10.713 1.997 1.00 24.16 H new ATOM 1035 N SER A 65 8.769 -6.504 4.703 1.00 6.85 N ATOM 1036 CA SER A 65 8.069 -5.563 5.569 1.00 6.90 C ATOM 1037 C SER A 65 6.546 -5.554 5.330 1.00 4.72 C ATOM 1038 O SER A 65 6.140 -5.859 4.186 1.00 3.91 O ATOM 1039 CB SER A 65 8.701 -4.138 5.548 1.00 7.28 C ATOM 1040 OG SER A 65 8.148 -3.390 6.645 1.00 10.56 O ATOM 0 H SER A 65 9.461 -6.071 4.091 1.00 6.85 H new ATOM 0 HA SER A 65 8.206 -5.929 6.587 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.785 -4.201 5.638 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.488 -3.641 4.602 1.00 7.28 H new ATOM 0 HG SER A 65 8.533 -2.489 6.653 1.00 10.56 H new ATOM 1046 N THR A 66 5.770 -5.302 6.429 1.00 4.48 N ATOM 1047 CA THR A 66 4.387 -5.233 6.551 1.00 3.80 C ATOM 1048 C THR A 66 4.062 -3.775 6.420 1.00 4.60 C ATOM 1049 O THR A 66 4.634 -2.869 7.064 1.00 5.33 O ATOM 1050 CB THR A 66 3.919 -5.783 7.897 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.179 -7.154 7.947 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.466 -5.615 8.226 1.00 3.40 C ATOM 0 H THR A 66 6.215 -5.130 7.330 1.00 4.48 H new ATOM 0 HA THR A 66 3.882 -5.835 5.795 1.00 3.80 H new ATOM 0 HB THR A 66 4.473 -5.190 8.625 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.882 -7.512 8.810 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.263 -6.047 9.206 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.216 -4.554 8.238 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.862 -6.122 7.474 1.00 3.40 H new ATOM 1060 N LEU A 67 2.912 -3.501 5.692 1.00 4.17 N ATOM 1061 CA LEU A 67 2.350 -2.165 5.596 1.00 3.85 C ATOM 1062 C LEU A 67 0.863 -2.333 6.009 1.00 3.80 C ATOM 1063 O LEU A 67 0.221 -3.322 5.640 1.00 5.54 O ATOM 1064 CB LEU A 67 2.313 -1.533 4.199 1.00 7.18 C ATOM 1065 CG LEU A 67 3.630 -1.586 3.370 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.569 -0.771 2.025 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.780 -0.953 4.187 1.00 11.66 C ATOM 0 H LEU A 67 2.387 -4.210 5.180 1.00 4.17 H new ATOM 0 HA LEU A 67 2.978 -1.515 6.206 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.529 -2.026 3.624 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.021 -0.488 4.306 1.00 7.18 H new ATOM 0 HG LEU A 67 3.785 -2.641 3.144 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.523 -0.856 1.504 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.774 -1.169 1.394 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.368 0.278 2.244 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.702 -0.990 3.607 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.536 0.085 4.415 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.914 -1.507 5.116 1.00 11.66 H new ATOM 1079 N HIS A 68 0.245 -1.378 6.704 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.162 -1.513 7.141 1.00 4.17 C ATOM 1081 C HIS A 68 -2.155 -0.838 6.103 1.00 5.32 C ATOM 1082 O HIS A 68 -1.857 0.211 5.511 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.395 -0.914 8.572 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.654 -1.657 9.607 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.638 -1.501 9.908 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.030 -2.692 10.293 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.001 -2.478 10.740 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.016 -3.272 11.031 1.00 16.30 N ATOM 0 H HIS A 68 0.687 -0.501 6.980 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.372 -2.582 7.185 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.085 0.131 8.583 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.460 -0.933 8.804 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.043 -3.066 10.288 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.001 -2.605 11.128 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.044 -4.092 11.637 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.407 -1.341 5.906 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.291 -1.020 4.710 1.00 3.97 C ATOM 1098 C LEU A 69 -5.614 -0.608 5.269 1.00 5.07 C ATOM 1099 O LEU A 69 -6.430 -1.437 5.714 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.417 -2.189 3.733 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.485 -2.069 2.639 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.527 -0.704 1.935 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.442 -3.115 1.488 1.00 9.96 C ATOM 0 H LEU A 69 -3.847 -1.984 6.565 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.849 -0.221 4.115 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.451 -2.332 3.249 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.622 -3.091 4.309 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.368 -2.244 3.253 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.311 -0.709 1.177 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.735 0.077 2.667 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.565 -0.510 1.461 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.250 -2.915 0.785 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.485 -3.047 0.970 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.560 -4.116 1.902 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.919 0.652 5.275 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.157 1.110 5.743 1.00 6.26 C ATOM 1117 C VAL A 70 -8.072 1.298 4.571 1.00 9.22 C ATOM 1118 O VAL A 70 -7.640 1.832 3.554 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.973 2.455 6.536 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.292 3.078 7.046 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.031 2.249 7.754 1.00 8.54 C ATOM 0 H VAL A 70 -5.295 1.389 4.947 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.593 0.380 6.426 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.542 3.148 5.814 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.075 4.002 7.582 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.944 3.294 6.199 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.789 2.378 7.717 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.917 3.192 8.289 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.459 1.502 8.422 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.056 1.909 7.406 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.318 0.817 4.673 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.217 1.067 3.569 1.00 16.06 C ATOM 1133 C LEU A 71 -11.241 2.158 4.032 1.00 18.09 C ATOM 1134 O LEU A 71 -11.928 2.054 5.031 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.987 -0.134 3.092 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.074 -1.318 2.709 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.953 -2.539 2.455 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.276 -0.953 1.405 1.00 19.57 C ATOM 0 H LEU A 71 -9.697 0.288 5.458 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.600 1.379 2.726 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.677 -0.451 3.874 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.591 0.147 2.229 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.367 -1.531 3.511 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.326 -3.388 2.182 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.514 -2.777 3.358 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.647 -2.325 1.642 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.629 -1.786 1.129 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.976 -0.753 0.594 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.669 -0.066 1.586 1.00 19.57 H new