USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 5 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 8 GLN : amide:sc= -3.8! C(o=-3.8!,f=-3.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -115:sc= -0.173 (180deg=-5.57!) USER MOD Single : A 26 THR OG1 : rot -118:sc= -1.71! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00068) USER MOD Single : A 34 THR OG1 : rot 72:sc= 0.801 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -3.02! C(o=-3!,f=-3.3!) USER MOD Single : A 42 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.59) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.76) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0815 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N LEU A 4 -16.453 5.388 5.403 1.00 1.67 N ATOM 41 CA LEU A 4 -15.125 4.816 5.545 1.00 0.91 C ATOM 42 C LEU A 4 -14.236 5.311 4.402 1.00 0.63 C ATOM 43 O LEU A 4 -13.082 5.676 4.621 1.00 0.74 O ATOM 44 CB LEU A 4 -15.205 3.291 5.644 1.00 0.85 C ATOM 45 CG LEU A 4 -13.970 2.522 5.173 1.00 0.71 C ATOM 46 CD1 LEU A 4 -13.767 2.681 3.665 1.00 2.07 C ATOM 47 CD2 LEU A 4 -12.729 2.939 5.965 1.00 2.17 C ATOM 0 HA LEU A 4 -14.665 5.149 6.475 1.00 0.91 H new ATOM 0 HB2 LEU A 4 -15.400 3.024 6.683 1.00 0.85 H new ATOM 0 HB3 LEU A 4 -16.062 2.954 5.062 1.00 0.85 H new ATOM 0 HG LEU A 4 -14.134 1.462 5.366 1.00 0.71 H new ATOM 0 HD11 LEU A 4 -12.882 2.124 3.356 1.00 2.07 H new ATOM 0 HD12 LEU A 4 -14.640 2.296 3.138 1.00 2.07 H new ATOM 0 HD13 LEU A 4 -13.634 3.736 3.425 1.00 2.07 H new ATOM 0 HD21 LEU A 4 -11.865 2.377 5.610 1.00 2.17 H new ATOM 0 HD22 LEU A 4 -12.550 4.005 5.826 1.00 2.17 H new ATOM 0 HD23 LEU A 4 -12.886 2.732 7.024 1.00 2.17 H new ATOM 59 N THR A 5 -14.808 5.308 3.206 1.00 0.88 N ATOM 60 CA THR A 5 -14.082 5.753 2.029 1.00 0.90 C ATOM 61 C THR A 5 -13.505 7.152 2.254 1.00 0.59 C ATOM 62 O THR A 5 -12.345 7.407 1.937 1.00 0.42 O ATOM 63 CB THR A 5 -15.030 5.672 0.831 1.00 1.46 C ATOM 64 OG1 THR A 5 -16.280 6.124 1.346 1.00 3.76 O ATOM 65 CG2 THR A 5 -15.305 4.231 0.397 1.00 2.45 C ATOM 0 H THR A 5 -15.765 5.005 3.027 1.00 0.88 H new ATOM 0 HA THR A 5 -13.224 5.111 1.828 1.00 0.90 H new ATOM 0 HB THR A 5 -14.605 6.228 -0.005 1.00 1.46 H new ATOM 0 HG1 THR A 5 -16.953 6.105 0.634 1.00 3.76 H new ATOM 0 HG21 THR A 5 -15.983 4.231 -0.456 1.00 2.45 H new ATOM 0 HG22 THR A 5 -14.368 3.751 0.116 1.00 2.45 H new ATOM 0 HG23 THR A 5 -15.760 3.683 1.222 1.00 2.45 H new ATOM 73 N GLU A 6 -14.342 8.021 2.801 1.00 0.77 N ATOM 74 CA GLU A 6 -13.930 9.388 3.073 1.00 0.84 C ATOM 75 C GLU A 6 -12.738 9.402 4.032 1.00 0.72 C ATOM 76 O GLU A 6 -11.784 10.151 3.831 1.00 0.77 O ATOM 77 CB GLU A 6 -15.093 10.210 3.631 1.00 1.25 C ATOM 78 CG GLU A 6 -14.776 11.707 3.587 1.00 1.63 C ATOM 79 CD GLU A 6 -15.115 12.300 2.218 1.00 2.63 C ATOM 80 OE1 GLU A 6 -14.384 11.970 1.260 1.00 3.86 O ATOM 81 OE2 GLU A 6 -16.098 13.069 2.161 1.00 3.09 O ATOM 0 H GLU A 6 -15.304 7.805 3.063 1.00 0.77 H new ATOM 0 HA GLU A 6 -13.621 9.848 2.134 1.00 0.84 H new ATOM 0 HB2 GLU A 6 -15.996 10.008 3.054 1.00 1.25 H new ATOM 0 HB3 GLU A 6 -15.297 9.908 4.658 1.00 1.25 H new ATOM 0 HG2 GLU A 6 -15.342 12.225 4.362 1.00 1.63 H new ATOM 0 HG3 GLU A 6 -13.720 11.865 3.804 1.00 1.63 H new ATOM 88 N GLU A 7 -12.833 8.564 5.054 1.00 0.74 N ATOM 89 CA GLU A 7 -11.774 8.471 6.045 1.00 0.96 C ATOM 90 C GLU A 7 -10.545 7.785 5.446 1.00 0.92 C ATOM 91 O GLU A 7 -9.463 8.369 5.402 1.00 1.17 O ATOM 92 CB GLU A 7 -12.258 7.735 7.297 1.00 1.15 C ATOM 93 CG GLU A 7 -13.771 7.880 7.468 1.00 1.07 C ATOM 94 CD GLU A 7 -14.159 7.869 8.948 1.00 1.83 C ATOM 95 OE1 GLU A 7 -14.221 6.754 9.509 1.00 1.72 O ATOM 96 OE2 GLU A 7 -14.386 8.975 9.484 1.00 3.09 O ATOM 0 H GLU A 7 -13.626 7.944 5.217 1.00 0.74 H new ATOM 0 HA GLU A 7 -11.492 9.481 6.343 1.00 0.96 H new ATOM 0 HB2 GLU A 7 -11.996 6.679 7.227 1.00 1.15 H new ATOM 0 HB3 GLU A 7 -11.749 8.132 8.176 1.00 1.15 H new ATOM 0 HG2 GLU A 7 -14.105 8.810 7.008 1.00 1.07 H new ATOM 0 HG3 GLU A 7 -14.279 7.067 6.949 1.00 1.07 H new ATOM 103 N GLN A 8 -10.752 6.554 5.000 1.00 0.84 N ATOM 104 CA GLN A 8 -9.675 5.782 4.405 1.00 0.89 C ATOM 105 C GLN A 8 -8.954 6.610 3.339 1.00 0.92 C ATOM 106 O GLN A 8 -7.730 6.562 3.232 1.00 1.43 O ATOM 107 CB GLN A 8 -10.199 4.470 3.819 1.00 0.82 C ATOM 108 CG GLN A 8 -10.359 4.573 2.301 1.00 2.58 C ATOM 109 CD GLN A 8 -10.929 3.277 1.721 1.00 4.39 C ATOM 110 OE1 GLN A 8 -10.575 2.179 2.119 1.00 4.98 O ATOM 111 NE2 GLN A 8 -11.830 3.464 0.761 1.00 6.13 N ATOM 0 H GLN A 8 -11.650 6.073 5.039 1.00 0.84 H new ATOM 0 HA GLN A 8 -8.959 5.531 5.188 1.00 0.89 H new ATOM 0 HB2 GLN A 8 -9.512 3.659 4.062 1.00 0.82 H new ATOM 0 HB3 GLN A 8 -11.158 4.222 4.273 1.00 0.82 H new ATOM 0 HG2 GLN A 8 -11.018 5.406 2.057 1.00 2.58 H new ATOM 0 HG3 GLN A 8 -9.393 4.787 1.843 1.00 2.58 H new ATOM 0 HE21 GLN A 8 -12.081 4.410 0.475 1.00 6.13 H new ATOM 0 HE22 GLN A 8 -12.270 2.661 0.311 1.00 6.13 H new ATOM 120 N ILE A 9 -9.745 7.351 2.576 1.00 0.47 N ATOM 121 CA ILE A 9 -9.199 8.188 1.522 1.00 0.46 C ATOM 122 C ILE A 9 -8.446 9.363 2.148 1.00 0.53 C ATOM 123 O ILE A 9 -7.495 9.879 1.563 1.00 0.59 O ATOM 124 CB ILE A 9 -10.300 8.612 0.549 1.00 0.50 C ATOM 125 CG1 ILE A 9 -10.834 7.410 -0.233 1.00 1.60 C ATOM 126 CG2 ILE A 9 -9.814 9.728 -0.378 1.00 1.77 C ATOM 127 CD1 ILE A 9 -9.870 7.011 -1.352 1.00 2.93 C ATOM 0 H ILE A 9 -10.760 7.389 2.667 1.00 0.47 H new ATOM 0 HA ILE A 9 -8.478 7.628 0.926 1.00 0.46 H new ATOM 0 HB ILE A 9 -11.131 9.014 1.129 1.00 0.50 H new ATOM 0 HG12 ILE A 9 -10.980 6.568 0.443 1.00 1.60 H new ATOM 0 HG13 ILE A 9 -11.809 7.651 -0.657 1.00 1.60 H new ATOM 0 HG21 ILE A 9 -10.617 10.010 -1.059 1.00 1.77 H new ATOM 0 HG22 ILE A 9 -9.522 10.593 0.217 1.00 1.77 H new ATOM 0 HG23 ILE A 9 -8.957 9.376 -0.953 1.00 1.77 H new ATOM 0 HD11 ILE A 9 -10.274 6.154 -1.892 1.00 2.93 H new ATOM 0 HD12 ILE A 9 -9.745 7.847 -2.040 1.00 2.93 H new ATOM 0 HD13 ILE A 9 -8.904 6.747 -0.923 1.00 2.93 H new ATOM 139 N ALA A 10 -8.899 9.752 3.331 1.00 0.68 N ATOM 140 CA ALA A 10 -8.280 10.857 4.043 1.00 0.85 C ATOM 141 C ALA A 10 -6.879 10.443 4.499 1.00 0.98 C ATOM 142 O ALA A 10 -5.930 11.217 4.379 1.00 1.06 O ATOM 143 CB ALA A 10 -9.174 11.275 5.213 1.00 0.86 C ATOM 0 H ALA A 10 -9.687 9.322 3.814 1.00 0.68 H new ATOM 0 HA ALA A 10 -8.172 11.723 3.389 1.00 0.85 H new ATOM 0 HB1 ALA A 10 -8.710 12.104 5.747 1.00 0.86 H new ATOM 0 HB2 ALA A 10 -10.147 11.587 4.834 1.00 0.86 H new ATOM 0 HB3 ALA A 10 -9.302 10.432 5.892 1.00 0.86 H new ATOM 149 N GLU A 11 -6.794 9.225 5.011 1.00 1.10 N ATOM 150 CA GLU A 11 -5.525 8.699 5.485 1.00 1.30 C ATOM 151 C GLU A 11 -4.597 8.407 4.304 1.00 1.13 C ATOM 152 O GLU A 11 -3.428 8.790 4.318 1.00 1.15 O ATOM 153 CB GLU A 11 -5.734 7.448 6.340 1.00 1.58 C ATOM 154 CG GLU A 11 -4.796 7.447 7.549 1.00 2.65 C ATOM 155 CD GLU A 11 -4.777 6.076 8.227 1.00 3.32 C ATOM 156 OE1 GLU A 11 -5.624 5.875 9.124 1.00 3.03 O ATOM 157 OE2 GLU A 11 -3.916 5.260 7.833 1.00 4.60 O ATOM 0 H GLU A 11 -7.583 8.586 5.108 1.00 1.10 H new ATOM 0 HA GLU A 11 -5.054 9.454 6.114 1.00 1.30 H new ATOM 0 HB2 GLU A 11 -6.769 7.403 6.678 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -5.557 6.557 5.737 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -3.788 7.714 7.232 1.00 2.65 H new ATOM 0 HG3 GLU A 11 -5.117 8.205 8.263 1.00 2.65 H new ATOM 164 N PHE A 12 -5.153 7.730 3.309 1.00 1.01 N ATOM 165 CA PHE A 12 -4.390 7.382 2.123 1.00 0.93 C ATOM 166 C PHE A 12 -3.820 8.633 1.451 1.00 0.71 C ATOM 167 O PHE A 12 -2.779 8.572 0.798 1.00 0.80 O ATOM 168 CB PHE A 12 -5.356 6.694 1.156 1.00 0.97 C ATOM 169 CG PHE A 12 -5.708 5.257 1.546 1.00 0.91 C ATOM 170 CD1 PHE A 12 -4.748 4.434 2.048 1.00 1.78 C ATOM 171 CD2 PHE A 12 -6.980 4.802 1.390 1.00 1.84 C ATOM 172 CE1 PHE A 12 -5.075 3.101 2.410 1.00 1.65 C ATOM 173 CE2 PHE A 12 -7.307 3.468 1.751 1.00 2.39 C ATOM 174 CZ PHE A 12 -6.347 2.646 2.254 1.00 1.63 C ATOM 0 H PHE A 12 -6.123 7.414 3.301 1.00 1.01 H new ATOM 0 HA PHE A 12 -3.555 6.735 2.394 1.00 0.93 H new ATOM 0 HB2 PHE A 12 -6.274 7.279 1.098 1.00 0.97 H new ATOM 0 HB3 PHE A 12 -4.916 6.692 0.159 1.00 0.97 H new ATOM 0 HD1 PHE A 12 -3.737 4.795 2.171 1.00 1.78 H new ATOM 0 HD2 PHE A 12 -7.742 5.455 0.991 1.00 1.84 H new ATOM 0 HE1 PHE A 12 -4.313 2.448 2.809 1.00 1.65 H new ATOM 0 HE2 PHE A 12 -8.317 3.106 1.626 1.00 2.39 H new ATOM 0 HZ PHE A 12 -6.595 1.632 2.530 1.00 1.63 H new ATOM 184 N LYS A 13 -4.527 9.738 1.633 1.00 0.57 N ATOM 185 CA LYS A 13 -4.104 11.002 1.053 1.00 0.47 C ATOM 186 C LYS A 13 -2.742 11.392 1.629 1.00 0.51 C ATOM 187 O LYS A 13 -1.769 11.535 0.889 1.00 0.48 O ATOM 188 CB LYS A 13 -5.183 12.069 1.249 1.00 0.55 C ATOM 189 CG LYS A 13 -5.209 13.045 0.071 1.00 0.65 C ATOM 190 CD LYS A 13 -6.374 12.735 -0.872 1.00 1.07 C ATOM 191 CE LYS A 13 -7.535 13.705 -0.645 1.00 1.60 C ATOM 192 NZ LYS A 13 -7.242 15.019 -1.260 1.00 2.08 N ATOM 0 H LYS A 13 -5.390 9.785 2.174 1.00 0.57 H new ATOM 0 HA LYS A 13 -3.978 10.903 -0.025 1.00 0.47 H new ATOM 0 HB2 LYS A 13 -6.157 11.591 1.352 1.00 0.55 H new ATOM 0 HB3 LYS A 13 -4.996 12.615 2.174 1.00 0.55 H new ATOM 0 HG2 LYS A 13 -5.298 14.066 0.442 1.00 0.65 H new ATOM 0 HG3 LYS A 13 -4.268 12.986 -0.476 1.00 0.65 H new ATOM 0 HD2 LYS A 13 -6.037 12.801 -1.906 1.00 1.07 H new ATOM 0 HD3 LYS A 13 -6.714 11.712 -0.712 1.00 1.07 H new ATOM 0 HE2 LYS A 13 -8.449 13.293 -1.072 1.00 1.60 H new ATOM 0 HE3 LYS A 13 -7.710 13.828 0.424 1.00 1.60 H new ATOM 0 HZ1 LYS A 13 -8.041 15.665 -1.096 1.00 2.08 H new ATOM 0 HZ2 LYS A 13 -6.381 15.418 -0.834 1.00 2.08 H new ATOM 0 HZ3 LYS A 13 -7.098 14.899 -2.283 1.00 2.08 H new ATOM 206 N GLU A 14 -2.715 11.553 2.944 1.00 0.63 N ATOM 207 CA GLU A 14 -1.487 11.923 3.627 1.00 0.71 C ATOM 208 C GLU A 14 -0.502 10.753 3.621 1.00 0.68 C ATOM 209 O GLU A 14 0.710 10.957 3.571 1.00 0.71 O ATOM 210 CB GLU A 14 -1.775 12.391 5.056 1.00 0.90 C ATOM 211 CG GLU A 14 -2.488 11.299 5.857 1.00 3.45 C ATOM 212 CD GLU A 14 -2.367 11.555 7.360 1.00 4.13 C ATOM 213 OE1 GLU A 14 -2.881 12.606 7.800 1.00 3.63 O ATOM 214 OE2 GLU A 14 -1.763 10.694 8.036 1.00 5.69 O ATOM 0 H GLU A 14 -3.524 11.434 3.554 1.00 0.63 H new ATOM 0 HA GLU A 14 -1.033 12.756 3.091 1.00 0.71 H new ATOM 0 HB2 GLU A 14 -0.841 12.658 5.550 1.00 0.90 H new ATOM 0 HB3 GLU A 14 -2.391 13.290 5.031 1.00 0.90 H new ATOM 0 HG2 GLU A 14 -3.540 11.264 5.574 1.00 3.45 H new ATOM 0 HG3 GLU A 14 -2.060 10.327 5.614 1.00 3.45 H new ATOM 221 N ALA A 15 -1.059 9.552 3.673 1.00 0.75 N ATOM 222 CA ALA A 15 -0.244 8.348 3.674 1.00 0.85 C ATOM 223 C ALA A 15 0.459 8.213 2.322 1.00 0.77 C ATOM 224 O ALA A 15 1.684 8.121 2.262 1.00 0.78 O ATOM 225 CB ALA A 15 -1.122 7.138 3.999 1.00 0.96 C ATOM 0 H ALA A 15 -2.065 9.386 3.715 1.00 0.75 H new ATOM 0 HA ALA A 15 0.527 8.406 4.442 1.00 0.85 H new ATOM 0 HB1 ALA A 15 -0.511 6.235 4.000 1.00 0.96 H new ATOM 0 HB2 ALA A 15 -1.575 7.271 4.981 1.00 0.96 H new ATOM 0 HB3 ALA A 15 -1.906 7.045 3.248 1.00 0.96 H new ATOM 231 N PHE A 16 -0.347 8.204 1.270 1.00 0.78 N ATOM 232 CA PHE A 16 0.183 8.081 -0.077 1.00 0.76 C ATOM 233 C PHE A 16 1.509 8.832 -0.216 1.00 0.71 C ATOM 234 O PHE A 16 2.382 8.422 -0.979 1.00 0.99 O ATOM 235 CB PHE A 16 -0.845 8.708 -1.021 1.00 0.83 C ATOM 236 CG PHE A 16 -0.336 8.909 -2.450 1.00 0.90 C ATOM 237 CD1 PHE A 16 -0.022 7.832 -3.218 1.00 0.75 C ATOM 238 CD2 PHE A 16 -0.198 10.166 -2.952 1.00 1.47 C ATOM 239 CE1 PHE A 16 0.450 8.019 -4.544 1.00 1.00 C ATOM 240 CE2 PHE A 16 0.274 10.353 -4.278 1.00 1.79 C ATOM 241 CZ PHE A 16 0.588 9.276 -5.046 1.00 1.50 C ATOM 0 H PHE A 16 -1.363 8.280 1.324 1.00 0.78 H new ATOM 0 HA PHE A 16 0.364 7.032 -0.311 1.00 0.76 H new ATOM 0 HB2 PHE A 16 -1.732 8.075 -1.048 1.00 0.83 H new ATOM 0 HB3 PHE A 16 -1.153 9.672 -0.617 1.00 0.83 H new ATOM 0 HD1 PHE A 16 -0.132 6.834 -2.819 1.00 0.75 H new ATOM 0 HD2 PHE A 16 -0.447 11.022 -2.342 1.00 1.47 H new ATOM 0 HE1 PHE A 16 0.699 7.163 -5.154 1.00 1.00 H new ATOM 0 HE2 PHE A 16 0.384 11.351 -4.677 1.00 1.79 H new ATOM 0 HZ PHE A 16 0.947 9.418 -6.055 1.00 1.50 H new ATOM 251 N SER A 17 1.618 9.919 0.535 1.00 0.57 N ATOM 252 CA SER A 17 2.823 10.731 0.505 1.00 0.53 C ATOM 253 C SER A 17 4.025 9.901 0.960 1.00 0.50 C ATOM 254 O SER A 17 5.031 9.823 0.257 1.00 0.57 O ATOM 255 CB SER A 17 2.672 11.973 1.386 1.00 0.58 C ATOM 256 OG SER A 17 2.905 13.175 0.659 1.00 1.54 O ATOM 0 H SER A 17 0.892 10.256 1.167 1.00 0.57 H new ATOM 0 HA SER A 17 2.986 11.063 -0.520 1.00 0.53 H new ATOM 0 HB2 SER A 17 1.669 11.996 1.812 1.00 0.58 H new ATOM 0 HB3 SER A 17 3.371 11.913 2.220 1.00 0.58 H new ATOM 0 HG SER A 17 2.797 13.945 1.256 1.00 1.54 H new ATOM 262 N LEU A 18 3.880 9.301 2.132 1.00 0.52 N ATOM 263 CA LEU A 18 4.941 8.479 2.688 1.00 0.61 C ATOM 264 C LEU A 18 5.068 7.194 1.868 1.00 0.63 C ATOM 265 O LEU A 18 6.162 6.838 1.431 1.00 0.68 O ATOM 266 CB LEU A 18 4.704 8.236 4.180 1.00 0.69 C ATOM 267 CG LEU A 18 4.858 9.455 5.092 1.00 0.71 C ATOM 268 CD1 LEU A 18 3.761 9.485 6.157 1.00 0.84 C ATOM 269 CD2 LEU A 18 6.257 9.506 5.708 1.00 0.63 C ATOM 0 H LEU A 18 3.044 9.368 2.712 1.00 0.52 H new ATOM 0 HA LEU A 18 5.898 8.996 2.621 1.00 0.61 H new ATOM 0 HB2 LEU A 18 3.698 7.837 4.307 1.00 0.69 H new ATOM 0 HB3 LEU A 18 5.397 7.465 4.517 1.00 0.69 H new ATOM 0 HG LEU A 18 4.741 10.353 4.485 1.00 0.71 H new ATOM 0 HD11 LEU A 18 3.894 10.361 6.792 1.00 0.84 H new ATOM 0 HD12 LEU A 18 2.785 9.532 5.673 1.00 0.84 H new ATOM 0 HD13 LEU A 18 3.821 8.583 6.766 1.00 0.84 H new ATOM 0 HD21 LEU A 18 6.339 10.382 6.352 1.00 0.63 H new ATOM 0 HD22 LEU A 18 6.428 8.605 6.297 1.00 0.63 H new ATOM 0 HD23 LEU A 18 7.002 9.567 4.915 1.00 0.63 H new ATOM 281 N PHE A 19 3.935 6.532 1.685 1.00 0.64 N ATOM 282 CA PHE A 19 3.906 5.294 0.925 1.00 0.69 C ATOM 283 C PHE A 19 4.495 5.495 -0.473 1.00 0.68 C ATOM 284 O PHE A 19 5.153 4.603 -1.007 1.00 0.86 O ATOM 285 CB PHE A 19 2.438 4.884 0.793 1.00 0.65 C ATOM 286 CG PHE A 19 1.904 4.090 1.987 1.00 1.15 C ATOM 287 CD1 PHE A 19 2.141 2.754 2.076 1.00 2.89 C ATOM 288 CD2 PHE A 19 1.191 4.721 2.958 1.00 1.58 C ATOM 289 CE1 PHE A 19 1.646 2.017 3.184 1.00 3.50 C ATOM 290 CE2 PHE A 19 0.695 3.984 4.066 1.00 2.02 C ATOM 291 CZ PHE A 19 0.933 2.647 4.155 1.00 2.58 C ATOM 0 H PHE A 19 3.030 6.830 2.050 1.00 0.64 H new ATOM 0 HA PHE A 19 4.497 4.532 1.433 1.00 0.69 H new ATOM 0 HB2 PHE A 19 1.831 5.780 0.665 1.00 0.65 H new ATOM 0 HB3 PHE A 19 2.318 4.286 -0.111 1.00 0.65 H new ATOM 0 HD1 PHE A 19 2.706 2.253 1.304 1.00 2.89 H new ATOM 0 HD2 PHE A 19 1.002 5.782 2.887 1.00 1.58 H new ATOM 0 HE1 PHE A 19 1.836 0.956 3.255 1.00 3.50 H new ATOM 0 HE2 PHE A 19 0.129 4.484 4.838 1.00 2.02 H new ATOM 0 HZ PHE A 19 0.555 2.086 4.997 1.00 2.58 H new ATOM 301 N ASP A 20 4.238 6.671 -1.025 1.00 0.58 N ATOM 302 CA ASP A 20 4.734 7.000 -2.351 1.00 0.71 C ATOM 303 C ASP A 20 6.033 7.798 -2.221 1.00 0.93 C ATOM 304 O ASP A 20 6.261 8.746 -2.970 1.00 1.68 O ATOM 305 CB ASP A 20 3.727 7.858 -3.119 1.00 0.81 C ATOM 306 CG ASP A 20 3.939 7.906 -4.633 1.00 0.90 C ATOM 307 OD1 ASP A 20 5.065 7.568 -5.059 1.00 1.06 O ATOM 308 OD2 ASP A 20 2.972 8.279 -5.331 1.00 1.14 O ATOM 0 H ASP A 20 3.693 7.408 -0.579 1.00 0.58 H new ATOM 0 HA ASP A 20 4.898 6.067 -2.891 1.00 0.71 H new ATOM 0 HB2 ASP A 20 2.724 7.480 -2.920 1.00 0.81 H new ATOM 0 HB3 ASP A 20 3.768 8.875 -2.729 1.00 0.81 H new ATOM 313 N LYS A 21 6.851 7.384 -1.263 1.00 0.98 N ATOM 314 CA LYS A 21 8.121 8.049 -1.025 1.00 1.25 C ATOM 315 C LYS A 21 8.738 8.454 -2.365 1.00 1.03 C ATOM 316 O LYS A 21 9.213 9.578 -2.519 1.00 1.27 O ATOM 317 CB LYS A 21 9.033 7.169 -0.169 1.00 1.56 C ATOM 318 CG LYS A 21 9.030 5.723 -0.671 1.00 1.33 C ATOM 319 CD LYS A 21 9.246 4.742 0.482 1.00 1.45 C ATOM 320 CE LYS A 21 7.932 4.456 1.213 1.00 1.49 C ATOM 321 NZ LYS A 21 7.880 5.196 2.493 1.00 1.78 N ATOM 0 H LYS A 21 6.659 6.597 -0.643 1.00 0.98 H new ATOM 0 HA LYS A 21 7.971 8.965 -0.453 1.00 1.25 H new ATOM 0 HB2 LYS A 21 10.049 7.563 -0.191 1.00 1.56 H new ATOM 0 HB3 LYS A 21 8.702 7.198 0.869 1.00 1.56 H new ATOM 0 HG2 LYS A 21 8.082 5.507 -1.164 1.00 1.33 H new ATOM 0 HG3 LYS A 21 9.814 5.592 -1.417 1.00 1.33 H new ATOM 0 HD2 LYS A 21 9.663 3.811 0.098 1.00 1.45 H new ATOM 0 HD3 LYS A 21 9.974 5.153 1.182 1.00 1.45 H new ATOM 0 HE2 LYS A 21 7.089 4.744 0.585 1.00 1.49 H new ATOM 0 HE3 LYS A 21 7.839 3.386 1.400 1.00 1.49 H new ATOM 0 HZ1 LYS A 21 7.874 4.521 3.284 1.00 1.78 H new ATOM 0 HZ2 LYS A 21 8.713 5.813 2.571 1.00 1.78 H new ATOM 0 HZ3 LYS A 21 7.016 5.775 2.525 1.00 1.78 H new ATOM 335 N ASP A 22 8.711 7.516 -3.301 1.00 0.78 N ATOM 336 CA ASP A 22 9.262 7.762 -4.623 1.00 0.62 C ATOM 337 C ASP A 22 8.715 9.086 -5.161 1.00 0.60 C ATOM 338 O ASP A 22 9.481 9.962 -5.559 1.00 0.74 O ATOM 339 CB ASP A 22 8.864 6.654 -5.600 1.00 0.71 C ATOM 340 CG ASP A 22 9.737 5.399 -5.546 1.00 1.48 C ATOM 341 OD1 ASP A 22 10.951 5.563 -5.294 1.00 2.28 O ATOM 342 OD2 ASP A 22 9.172 4.305 -5.757 1.00 1.93 O ATOM 0 H ASP A 22 8.316 6.585 -3.170 1.00 0.78 H new ATOM 0 HA ASP A 22 10.348 7.793 -4.535 1.00 0.62 H new ATOM 0 HB2 ASP A 22 7.831 6.368 -5.401 1.00 0.71 H new ATOM 0 HB3 ASP A 22 8.894 7.056 -6.613 1.00 0.71 H new ATOM 347 N GLY A 23 7.395 9.190 -5.154 1.00 0.61 N ATOM 348 CA GLY A 23 6.736 10.393 -5.637 1.00 0.70 C ATOM 349 C GLY A 23 6.481 10.311 -7.143 1.00 0.66 C ATOM 350 O GLY A 23 6.637 11.300 -7.857 1.00 0.81 O ATOM 0 H GLY A 23 6.763 8.462 -4.822 1.00 0.61 H new ATOM 0 HA2 GLY A 23 5.791 10.530 -5.111 1.00 0.70 H new ATOM 0 HA3 GLY A 23 7.353 11.264 -5.416 1.00 0.70 H new ATOM 354 N ASP A 24 6.091 9.123 -7.581 1.00 0.57 N ATOM 355 CA ASP A 24 5.812 8.899 -8.989 1.00 0.65 C ATOM 356 C ASP A 24 4.314 8.648 -9.175 1.00 0.70 C ATOM 357 O ASP A 24 3.731 9.061 -10.176 1.00 1.09 O ATOM 358 CB ASP A 24 6.565 7.675 -9.513 1.00 0.68 C ATOM 359 CG ASP A 24 5.868 6.334 -9.271 1.00 1.31 C ATOM 360 OD1 ASP A 24 5.938 5.858 -8.117 1.00 0.84 O ATOM 361 OD2 ASP A 24 5.280 5.817 -10.245 1.00 2.70 O ATOM 0 H ASP A 24 5.962 8.305 -6.985 1.00 0.57 H new ATOM 0 HA ASP A 24 6.133 9.783 -9.540 1.00 0.65 H new ATOM 0 HB2 ASP A 24 6.724 7.796 -10.584 1.00 0.68 H new ATOM 0 HB3 ASP A 24 7.549 7.645 -9.046 1.00 0.68 H new ATOM 366 N GLY A 25 3.735 7.972 -8.194 1.00 0.61 N ATOM 367 CA GLY A 25 2.316 7.660 -8.236 1.00 0.64 C ATOM 368 C GLY A 25 2.069 6.185 -7.916 1.00 0.60 C ATOM 369 O GLY A 25 0.922 5.750 -7.819 1.00 0.98 O ATOM 0 H GLY A 25 4.222 7.631 -7.365 1.00 0.61 H new ATOM 0 HA2 GLY A 25 1.781 8.285 -7.521 1.00 0.64 H new ATOM 0 HA3 GLY A 25 1.918 7.893 -9.224 1.00 0.64 H new ATOM 373 N THR A 26 3.163 5.454 -7.760 1.00 0.51 N ATOM 374 CA THR A 26 3.080 4.037 -7.453 1.00 0.48 C ATOM 375 C THR A 26 3.817 3.729 -6.148 1.00 0.41 C ATOM 376 O THR A 26 4.789 4.401 -5.807 1.00 0.59 O ATOM 377 CB THR A 26 3.622 3.260 -8.655 1.00 0.66 C ATOM 378 OG1 THR A 26 4.880 3.872 -8.925 1.00 1.22 O ATOM 379 CG2 THR A 26 2.807 3.505 -9.927 1.00 0.96 C ATOM 0 H THR A 26 4.113 5.817 -7.841 1.00 0.51 H new ATOM 0 HA THR A 26 2.048 3.729 -7.287 1.00 0.48 H new ATOM 0 HB THR A 26 3.626 2.194 -8.427 1.00 0.66 H new ATOM 0 HG1 THR A 26 4.867 4.265 -9.823 1.00 1.22 H new ATOM 0 HG21 THR A 26 3.234 2.930 -10.749 1.00 0.96 H new ATOM 0 HG22 THR A 26 1.775 3.193 -9.764 1.00 0.96 H new ATOM 0 HG23 THR A 26 2.830 4.566 -10.175 1.00 0.96 H new ATOM 387 N ILE A 27 3.326 2.713 -5.454 1.00 0.38 N ATOM 388 CA ILE A 27 3.926 2.308 -4.194 1.00 0.32 C ATOM 389 C ILE A 27 4.740 1.031 -4.409 1.00 0.37 C ATOM 390 O ILE A 27 4.290 -0.061 -4.065 1.00 0.68 O ATOM 391 CB ILE A 27 2.856 2.181 -3.108 1.00 0.35 C ATOM 392 CG1 ILE A 27 2.436 3.557 -2.587 1.00 0.48 C ATOM 393 CG2 ILE A 27 3.327 1.260 -1.980 1.00 0.39 C ATOM 394 CD1 ILE A 27 1.805 4.395 -3.701 1.00 0.73 C ATOM 0 H ILE A 27 2.519 2.158 -5.740 1.00 0.38 H new ATOM 0 HA ILE A 27 4.619 3.071 -3.839 1.00 0.32 H new ATOM 0 HB ILE A 27 1.972 1.722 -3.551 1.00 0.35 H new ATOM 0 HG12 ILE A 27 1.726 3.439 -1.769 1.00 0.48 H new ATOM 0 HG13 ILE A 27 3.304 4.077 -2.183 1.00 0.48 H new ATOM 0 HG21 ILE A 27 2.548 1.187 -1.221 1.00 0.39 H new ATOM 0 HG22 ILE A 27 3.536 0.269 -2.383 1.00 0.39 H new ATOM 0 HG23 ILE A 27 4.233 1.668 -1.532 1.00 0.39 H new ATOM 0 HD11 ILE A 27 1.515 5.368 -3.305 1.00 0.73 H new ATOM 0 HD12 ILE A 27 2.526 4.532 -4.507 1.00 0.73 H new ATOM 0 HD13 ILE A 27 0.923 3.883 -4.086 1.00 0.73 H new ATOM 406 N THR A 28 5.924 1.210 -4.977 1.00 0.25 N ATOM 407 CA THR A 28 6.805 0.085 -5.241 1.00 0.34 C ATOM 408 C THR A 28 6.875 -0.836 -4.021 1.00 0.40 C ATOM 409 O THR A 28 6.886 -0.366 -2.885 1.00 0.47 O ATOM 410 CB THR A 28 8.167 0.640 -5.663 1.00 0.42 C ATOM 411 OG1 THR A 28 7.922 1.229 -6.937 1.00 0.49 O ATOM 412 CG2 THR A 28 9.185 -0.464 -5.952 1.00 0.53 C ATOM 0 H THR A 28 6.294 2.117 -5.262 1.00 0.25 H new ATOM 0 HA THR A 28 6.424 -0.533 -6.054 1.00 0.34 H new ATOM 0 HB THR A 28 8.552 1.292 -4.879 1.00 0.42 H new ATOM 0 HG1 THR A 28 8.753 1.615 -7.284 1.00 0.49 H new ATOM 0 HG21 THR A 28 10.134 -0.016 -6.247 1.00 0.53 H new ATOM 0 HG22 THR A 28 9.332 -1.067 -5.056 1.00 0.53 H new ATOM 0 HG23 THR A 28 8.816 -1.097 -6.759 1.00 0.53 H new ATOM 420 N THR A 29 6.920 -2.131 -4.299 1.00 0.42 N ATOM 421 CA THR A 29 6.989 -3.121 -3.239 1.00 0.51 C ATOM 422 C THR A 29 7.958 -2.667 -2.146 1.00 0.53 C ATOM 423 O THR A 29 7.720 -2.902 -0.962 1.00 0.55 O ATOM 424 CB THR A 29 7.370 -4.463 -3.869 1.00 0.58 C ATOM 425 OG1 THR A 29 8.691 -4.252 -4.360 1.00 0.58 O ATOM 426 CG2 THR A 29 6.551 -4.774 -5.124 1.00 0.58 C ATOM 0 H THR A 29 6.910 -2.517 -5.243 1.00 0.42 H new ATOM 0 HA THR A 29 6.024 -3.239 -2.746 1.00 0.51 H new ATOM 0 HB THR A 29 7.231 -5.260 -3.139 1.00 0.58 H new ATOM 0 HG1 THR A 29 9.018 -5.073 -4.783 1.00 0.58 H new ATOM 0 HG21 THR A 29 6.861 -5.736 -5.531 1.00 0.58 H new ATOM 0 HG22 THR A 29 5.492 -4.812 -4.867 1.00 0.58 H new ATOM 0 HG23 THR A 29 6.716 -3.995 -5.868 1.00 0.58 H new ATOM 434 N LYS A 30 9.031 -2.023 -2.581 1.00 0.64 N ATOM 435 CA LYS A 30 10.037 -1.532 -1.655 1.00 0.73 C ATOM 436 C LYS A 30 9.408 -0.488 -0.731 1.00 0.67 C ATOM 437 O LYS A 30 9.594 -0.536 0.484 1.00 0.65 O ATOM 438 CB LYS A 30 11.263 -1.022 -2.415 1.00 0.96 C ATOM 439 CG LYS A 30 10.959 0.302 -3.120 1.00 1.61 C ATOM 440 CD LYS A 30 12.085 0.682 -4.083 1.00 1.80 C ATOM 441 CE LYS A 30 11.921 2.120 -4.578 1.00 3.36 C ATOM 442 NZ LYS A 30 12.412 3.078 -3.562 1.00 4.22 N ATOM 0 H LYS A 30 9.226 -1.830 -3.563 1.00 0.64 H new ATOM 0 HA LYS A 30 10.398 -2.342 -1.022 1.00 0.73 H new ATOM 0 HB2 LYS A 30 12.094 -0.887 -1.723 1.00 0.96 H new ATOM 0 HB3 LYS A 30 11.576 -1.765 -3.148 1.00 0.96 H new ATOM 0 HG2 LYS A 30 10.020 0.219 -3.667 1.00 1.61 H new ATOM 0 HG3 LYS A 30 10.828 1.091 -2.379 1.00 1.61 H new ATOM 0 HD2 LYS A 30 13.048 0.573 -3.584 1.00 1.80 H new ATOM 0 HD3 LYS A 30 12.088 -0.001 -4.933 1.00 1.80 H new ATOM 0 HE2 LYS A 30 12.471 2.255 -5.509 1.00 3.36 H new ATOM 0 HE3 LYS A 30 10.872 2.318 -4.796 1.00 3.36 H new ATOM 0 HZ1 LYS A 30 11.889 3.973 -3.647 1.00 4.22 H new ATOM 0 HZ2 LYS A 30 12.267 2.681 -2.612 1.00 4.22 H new ATOM 0 HZ3 LYS A 30 13.426 3.254 -3.713 1.00 4.22 H new ATOM 456 N GLU A 31 8.675 0.432 -1.342 1.00 0.70 N ATOM 457 CA GLU A 31 8.017 1.486 -0.589 1.00 0.72 C ATOM 458 C GLU A 31 6.992 0.888 0.376 1.00 0.55 C ATOM 459 O GLU A 31 6.748 1.441 1.448 1.00 0.61 O ATOM 460 CB GLU A 31 7.361 2.501 -1.527 1.00 0.85 C ATOM 461 CG GLU A 31 8.375 3.061 -2.526 1.00 0.78 C ATOM 462 CD GLU A 31 7.690 3.957 -3.560 1.00 0.80 C ATOM 463 OE1 GLU A 31 6.831 3.421 -4.293 1.00 1.61 O ATOM 464 OE2 GLU A 31 8.040 5.156 -3.594 1.00 1.79 O ATOM 0 H GLU A 31 8.523 0.469 -2.350 1.00 0.70 H new ATOM 0 HA GLU A 31 8.771 2.014 -0.005 1.00 0.72 H new ATOM 0 HB2 GLU A 31 6.540 2.027 -2.064 1.00 0.85 H new ATOM 0 HB3 GLU A 31 6.932 3.316 -0.944 1.00 0.85 H new ATOM 0 HG2 GLU A 31 9.138 3.630 -1.995 1.00 0.78 H new ATOM 0 HG3 GLU A 31 8.884 2.240 -3.031 1.00 0.78 H new ATOM 471 N LEU A 32 6.420 -0.232 -0.038 1.00 0.41 N ATOM 472 CA LEU A 32 5.426 -0.911 0.777 1.00 0.31 C ATOM 473 C LEU A 32 6.076 -1.380 2.080 1.00 0.32 C ATOM 474 O LEU A 32 5.584 -1.081 3.167 1.00 0.41 O ATOM 475 CB LEU A 32 4.759 -2.035 -0.017 1.00 0.30 C ATOM 476 CG LEU A 32 3.842 -2.966 0.779 1.00 0.50 C ATOM 477 CD1 LEU A 32 4.654 -3.883 1.696 1.00 2.35 C ATOM 478 CD2 LEU A 32 2.789 -2.170 1.552 1.00 1.93 C ATOM 0 H LEU A 32 6.625 -0.687 -0.927 1.00 0.41 H new ATOM 0 HA LEU A 32 4.623 -0.225 1.049 1.00 0.31 H new ATOM 0 HB2 LEU A 32 4.178 -1.588 -0.824 1.00 0.30 H new ATOM 0 HB3 LEU A 32 5.540 -2.637 -0.482 1.00 0.30 H new ATOM 0 HG LEU A 32 3.309 -3.605 0.074 1.00 0.50 H new ATOM 0 HD11 LEU A 32 3.978 -4.534 2.250 1.00 2.35 H new ATOM 0 HD12 LEU A 32 5.332 -4.490 1.096 1.00 2.35 H new ATOM 0 HD13 LEU A 32 5.231 -3.279 2.396 1.00 2.35 H new ATOM 0 HD21 LEU A 32 2.151 -2.856 2.109 1.00 1.93 H new ATOM 0 HD22 LEU A 32 3.284 -1.490 2.246 1.00 1.93 H new ATOM 0 HD23 LEU A 32 2.181 -1.596 0.853 1.00 1.93 H new ATOM 490 N GLY A 33 7.173 -2.109 1.928 1.00 0.32 N ATOM 491 CA GLY A 33 7.895 -2.623 3.079 1.00 0.37 C ATOM 492 C GLY A 33 8.609 -1.495 3.826 1.00 0.37 C ATOM 493 O GLY A 33 8.820 -1.582 5.035 1.00 0.48 O ATOM 0 H GLY A 33 7.579 -2.355 1.025 1.00 0.32 H new ATOM 0 HA2 GLY A 33 7.202 -3.128 3.752 1.00 0.37 H new ATOM 0 HA3 GLY A 33 8.623 -3.367 2.754 1.00 0.37 H new ATOM 497 N THR A 34 8.962 -0.462 3.076 1.00 0.34 N ATOM 498 CA THR A 34 9.649 0.682 3.652 1.00 0.39 C ATOM 499 C THR A 34 8.765 1.363 4.699 1.00 0.37 C ATOM 500 O THR A 34 9.212 1.635 5.812 1.00 0.50 O ATOM 501 CB THR A 34 10.061 1.611 2.509 1.00 0.46 C ATOM 502 OG1 THR A 34 11.029 0.859 1.782 1.00 0.60 O ATOM 503 CG2 THR A 34 10.834 2.837 3.000 1.00 0.46 C ATOM 0 H THR A 34 8.785 -0.393 2.074 1.00 0.34 H new ATOM 0 HA THR A 34 10.551 0.376 4.182 1.00 0.39 H new ATOM 0 HB THR A 34 9.173 1.935 1.967 1.00 0.46 H new ATOM 0 HG1 THR A 34 10.583 0.131 1.301 1.00 0.60 H new ATOM 0 HG21 THR A 34 11.102 3.463 2.149 1.00 0.46 H new ATOM 0 HG22 THR A 34 10.211 3.408 3.688 1.00 0.46 H new ATOM 0 HG23 THR A 34 11.740 2.514 3.513 1.00 0.46 H new ATOM 511 N VAL A 35 7.525 1.617 4.306 1.00 0.32 N ATOM 512 CA VAL A 35 6.575 2.260 5.196 1.00 0.38 C ATOM 513 C VAL A 35 6.432 1.427 6.471 1.00 0.42 C ATOM 514 O VAL A 35 6.529 1.956 7.577 1.00 0.51 O ATOM 515 CB VAL A 35 5.244 2.478 4.472 1.00 0.43 C ATOM 516 CG1 VAL A 35 4.249 3.221 5.366 1.00 1.37 C ATOM 517 CG2 VAL A 35 5.454 3.220 3.151 1.00 1.44 C ATOM 0 H VAL A 35 7.157 1.389 3.383 1.00 0.32 H new ATOM 0 HA VAL A 35 6.935 3.246 5.490 1.00 0.38 H new ATOM 0 HB VAL A 35 4.823 1.499 4.243 1.00 0.43 H new ATOM 0 HG11 VAL A 35 3.312 3.363 4.828 1.00 1.37 H new ATOM 0 HG12 VAL A 35 4.065 2.638 6.268 1.00 1.37 H new ATOM 0 HG13 VAL A 35 4.661 4.192 5.640 1.00 1.37 H new ATOM 0 HG21 VAL A 35 4.493 3.362 2.657 1.00 1.44 H new ATOM 0 HG22 VAL A 35 5.908 4.191 3.347 1.00 1.44 H new ATOM 0 HG23 VAL A 35 6.111 2.636 2.506 1.00 1.44 H new ATOM 527 N MET A 36 6.204 0.136 6.274 1.00 0.45 N ATOM 528 CA MET A 36 6.047 -0.775 7.394 1.00 0.55 C ATOM 529 C MET A 36 6.990 -0.403 8.540 1.00 0.68 C ATOM 530 O MET A 36 6.551 -0.216 9.674 1.00 0.74 O ATOM 531 CB MET A 36 6.341 -2.205 6.934 1.00 0.73 C ATOM 532 CG MET A 36 5.294 -2.683 5.927 1.00 0.76 C ATOM 533 SD MET A 36 3.799 -3.156 6.778 1.00 0.78 S ATOM 534 CE MET A 36 2.580 -2.471 5.669 1.00 1.62 C ATOM 0 H MET A 36 6.124 -0.300 5.355 1.00 0.45 H new ATOM 0 HA MET A 36 5.021 -0.704 7.755 1.00 0.55 H new ATOM 0 HB2 MET A 36 7.332 -2.249 6.482 1.00 0.73 H new ATOM 0 HB3 MET A 36 6.354 -2.873 7.796 1.00 0.73 H new ATOM 0 HG2 MET A 36 5.079 -1.891 5.210 1.00 0.76 H new ATOM 0 HG3 MET A 36 5.683 -3.529 5.360 1.00 0.76 H new ATOM 0 HE1 MET A 36 1.581 -2.678 6.054 1.00 1.62 H new ATOM 0 HE2 MET A 36 2.723 -1.393 5.592 1.00 1.62 H new ATOM 0 HE3 MET A 36 2.690 -2.923 4.683 1.00 1.62 H new ATOM 544 N ARG A 37 8.268 -0.308 8.205 1.00 0.80 N ATOM 545 CA ARG A 37 9.277 0.039 9.192 1.00 1.00 C ATOM 546 C ARG A 37 8.846 1.278 9.979 1.00 1.01 C ATOM 547 O ARG A 37 8.904 1.288 11.208 1.00 1.14 O ATOM 548 CB ARG A 37 10.628 0.309 8.527 1.00 1.32 C ATOM 549 CG ARG A 37 11.256 -0.988 8.014 1.00 1.36 C ATOM 550 CD ARG A 37 11.400 -0.962 6.491 1.00 1.95 C ATOM 551 NE ARG A 37 12.832 -0.995 6.118 1.00 2.21 N ATOM 552 CZ ARG A 37 13.575 -2.110 6.090 1.00 3.53 C ATOM 553 NH1 ARG A 37 13.027 -3.289 6.413 1.00 4.97 N ATOM 554 NH2 ARG A 37 14.867 -2.045 5.738 1.00 4.12 N ATOM 0 H ARG A 37 8.628 -0.465 7.264 1.00 0.80 H new ATOM 0 HA ARG A 37 9.382 -0.808 9.871 1.00 1.00 H new ATOM 0 HB2 ARG A 37 10.497 1.006 7.699 1.00 1.32 H new ATOM 0 HB3 ARG A 37 11.300 0.785 9.241 1.00 1.32 H new ATOM 0 HG2 ARG A 37 12.235 -1.129 8.473 1.00 1.36 H new ATOM 0 HG3 ARG A 37 10.640 -1.837 8.310 1.00 1.36 H new ATOM 0 HD2 ARG A 37 10.882 -1.816 6.054 1.00 1.95 H new ATOM 0 HD3 ARG A 37 10.931 -0.064 6.088 1.00 1.95 H new ATOM 0 HE ARG A 37 13.281 -0.114 5.867 1.00 2.21 H new ATOM 0 HH11 ARG A 37 12.044 -3.338 6.680 1.00 4.97 H new ATOM 0 HH12 ARG A 37 13.593 -4.137 6.392 1.00 4.97 H new ATOM 0 HH21 ARG A 37 15.284 -1.147 5.492 1.00 4.12 H new ATOM 0 HH22 ARG A 37 15.433 -2.893 5.717 1.00 4.12 H new ATOM 568 N SER A 38 8.423 2.292 9.239 1.00 0.98 N ATOM 569 CA SER A 38 7.983 3.534 9.852 1.00 1.15 C ATOM 570 C SER A 38 7.051 3.234 11.029 1.00 1.07 C ATOM 571 O SER A 38 6.993 4.000 11.989 1.00 1.26 O ATOM 572 CB SER A 38 7.279 4.432 8.833 1.00 1.21 C ATOM 573 OG SER A 38 7.501 5.815 9.097 1.00 1.71 O ATOM 0 H SER A 38 8.376 2.279 8.220 1.00 0.98 H new ATOM 0 HA SER A 38 8.861 4.066 10.218 1.00 1.15 H new ATOM 0 HB2 SER A 38 7.635 4.192 7.831 1.00 1.21 H new ATOM 0 HB3 SER A 38 6.208 4.227 8.848 1.00 1.21 H new ATOM 0 HG SER A 38 7.037 6.355 8.424 1.00 1.71 H new ATOM 579 N LEU A 39 6.346 2.119 10.915 1.00 0.86 N ATOM 580 CA LEU A 39 5.420 1.709 11.957 1.00 0.91 C ATOM 581 C LEU A 39 6.159 0.842 12.978 1.00 0.93 C ATOM 582 O LEU A 39 5.852 0.880 14.168 1.00 1.57 O ATOM 583 CB LEU A 39 4.193 1.029 11.346 1.00 0.88 C ATOM 584 CG LEU A 39 3.310 1.909 10.459 1.00 0.91 C ATOM 585 CD1 LEU A 39 2.128 1.114 9.901 1.00 1.16 C ATOM 586 CD2 LEU A 39 2.855 3.162 11.209 1.00 1.07 C ATOM 0 H LEU A 39 6.397 1.486 10.117 1.00 0.86 H new ATOM 0 HA LEU A 39 5.040 2.579 12.493 1.00 0.91 H new ATOM 0 HB2 LEU A 39 4.531 0.177 10.757 1.00 0.88 H new ATOM 0 HB3 LEU A 39 3.580 0.634 12.156 1.00 0.88 H new ATOM 0 HG LEU A 39 3.905 2.241 9.608 1.00 0.91 H new ATOM 0 HD11 LEU A 39 1.516 1.763 9.274 1.00 1.16 H new ATOM 0 HD12 LEU A 39 2.499 0.280 9.306 1.00 1.16 H new ATOM 0 HD13 LEU A 39 1.525 0.732 10.725 1.00 1.16 H new ATOM 0 HD21 LEU A 39 2.229 3.770 10.556 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.284 2.871 12.091 1.00 1.07 H new ATOM 0 HD23 LEU A 39 3.727 3.739 11.516 1.00 1.07 H new ATOM 598 N GLY A 40 7.120 0.080 12.475 1.00 0.74 N ATOM 599 CA GLY A 40 7.905 -0.795 13.328 1.00 0.77 C ATOM 600 C GLY A 40 8.219 -2.114 12.620 1.00 0.92 C ATOM 601 O GLY A 40 9.367 -2.554 12.599 1.00 1.91 O ATOM 0 H GLY A 40 7.372 0.051 11.487 1.00 0.74 H new ATOM 0 HA2 GLY A 40 8.834 -0.298 13.608 1.00 0.77 H new ATOM 0 HA3 GLY A 40 7.360 -0.994 14.251 1.00 0.77 H new ATOM 605 N GLN A 41 7.177 -2.709 12.057 1.00 1.03 N ATOM 606 CA GLN A 41 7.327 -3.969 11.349 1.00 1.02 C ATOM 607 C GLN A 41 8.479 -3.881 10.346 1.00 1.21 C ATOM 608 O GLN A 41 8.645 -2.864 9.674 1.00 2.33 O ATOM 609 CB GLN A 41 6.023 -4.366 10.654 1.00 0.99 C ATOM 610 CG GLN A 41 5.302 -3.137 10.098 1.00 2.16 C ATOM 611 CD GLN A 41 4.144 -2.722 11.008 1.00 3.23 C ATOM 612 OE1 GLN A 41 3.977 -3.220 12.109 1.00 3.74 O ATOM 613 NE2 GLN A 41 3.357 -1.785 10.488 1.00 4.62 N ATOM 0 H GLN A 41 6.226 -2.342 12.077 1.00 1.03 H new ATOM 0 HA GLN A 41 7.564 -4.746 12.076 1.00 1.02 H new ATOM 0 HB2 GLN A 41 6.236 -5.064 9.845 1.00 0.99 H new ATOM 0 HB3 GLN A 41 5.374 -4.885 11.360 1.00 0.99 H new ATOM 0 HG2 GLN A 41 6.006 -2.311 10.000 1.00 2.16 H new ATOM 0 HG3 GLN A 41 4.924 -3.354 9.099 1.00 2.16 H new ATOM 0 HE21 GLN A 41 3.554 -1.411 9.560 1.00 4.62 H new ATOM 0 HE22 GLN A 41 2.556 -1.440 11.017 1.00 4.62 H new ATOM 622 N ASN A 42 9.245 -4.960 10.276 1.00 0.69 N ATOM 623 CA ASN A 42 10.376 -5.017 9.366 1.00 0.66 C ATOM 624 C ASN A 42 10.333 -6.334 8.589 1.00 0.51 C ATOM 625 O ASN A 42 11.228 -7.168 8.724 1.00 0.52 O ATOM 626 CB ASN A 42 11.700 -4.961 10.129 1.00 0.80 C ATOM 627 CG ASN A 42 11.602 -4.018 11.330 1.00 2.33 C ATOM 628 OD1 ASN A 42 11.673 -4.424 12.479 1.00 4.08 O ATOM 629 ND2 ASN A 42 11.434 -2.740 11.002 1.00 2.10 N ATOM 0 H ASN A 42 9.104 -5.802 10.835 1.00 0.69 H new ATOM 0 HA ASN A 42 10.311 -4.162 8.693 1.00 0.66 H new ATOM 0 HB2 ASN A 42 11.971 -5.961 10.468 1.00 0.80 H new ATOM 0 HB3 ASN A 42 12.494 -4.625 9.462 1.00 0.80 H new ATOM 0 HD21 ASN A 42 11.356 -2.032 11.732 1.00 2.10 H new ATOM 0 HD22 ASN A 42 11.383 -2.468 10.020 1.00 2.10 H new ATOM 636 N PRO A 43 9.257 -6.485 7.771 1.00 0.51 N ATOM 637 CA PRO A 43 9.087 -7.686 6.972 1.00 0.51 C ATOM 638 C PRO A 43 10.040 -7.689 5.775 1.00 0.45 C ATOM 639 O PRO A 43 10.894 -6.812 5.655 1.00 0.48 O ATOM 640 CB PRO A 43 7.622 -7.683 6.565 1.00 0.69 C ATOM 641 CG PRO A 43 7.140 -6.254 6.756 1.00 0.76 C ATOM 642 CD PRO A 43 8.179 -5.518 7.586 1.00 0.67 C ATOM 0 HA PRO A 43 9.333 -8.595 7.521 1.00 0.51 H new ATOM 0 HB2 PRO A 43 7.504 -8.000 5.529 1.00 0.69 H new ATOM 0 HB3 PRO A 43 7.045 -8.375 7.178 1.00 0.69 H new ATOM 0 HG2 PRO A 43 7.006 -5.764 5.791 1.00 0.76 H new ATOM 0 HG3 PRO A 43 6.172 -6.241 7.257 1.00 0.76 H new ATOM 0 HD2 PRO A 43 8.533 -4.623 7.074 1.00 0.67 H new ATOM 0 HD3 PRO A 43 7.767 -5.196 8.542 1.00 0.67 H new ATOM 650 N THR A 44 9.863 -8.686 4.920 1.00 0.42 N ATOM 651 CA THR A 44 10.697 -8.814 3.738 1.00 0.40 C ATOM 652 C THR A 44 9.890 -8.489 2.479 1.00 0.35 C ATOM 653 O THR A 44 8.718 -8.849 2.378 1.00 0.39 O ATOM 654 CB THR A 44 11.292 -10.223 3.730 1.00 0.48 C ATOM 655 OG1 THR A 44 10.271 -11.036 4.302 1.00 0.52 O ATOM 656 CG2 THR A 44 12.468 -10.367 4.698 1.00 0.56 C ATOM 0 H THR A 44 9.154 -9.412 5.023 1.00 0.42 H new ATOM 0 HA THR A 44 11.519 -8.098 3.754 1.00 0.40 H new ATOM 0 HB THR A 44 11.619 -10.472 2.721 1.00 0.48 H new ATOM 0 HG1 THR A 44 10.574 -11.968 4.333 1.00 0.52 H new ATOM 0 HG21 THR A 44 12.853 -11.386 4.653 1.00 0.56 H new ATOM 0 HG22 THR A 44 13.257 -9.668 4.419 1.00 0.56 H new ATOM 0 HG23 THR A 44 12.133 -10.150 5.712 1.00 0.56 H new ATOM 664 N GLU A 45 10.550 -7.812 1.550 1.00 0.37 N ATOM 665 CA GLU A 45 9.909 -7.434 0.302 1.00 0.35 C ATOM 666 C GLU A 45 9.398 -8.677 -0.429 1.00 0.32 C ATOM 667 O GLU A 45 8.530 -8.578 -1.295 1.00 0.31 O ATOM 668 CB GLU A 45 10.864 -6.630 -0.583 1.00 0.41 C ATOM 669 CG GLU A 45 12.073 -7.474 -0.993 1.00 0.47 C ATOM 670 CD GLU A 45 13.356 -6.944 -0.350 1.00 1.74 C ATOM 671 OE1 GLU A 45 13.814 -5.871 -0.799 1.00 2.63 O ATOM 672 OE2 GLU A 45 13.848 -7.623 0.577 1.00 3.03 O ATOM 0 H GLU A 45 11.522 -7.516 1.637 1.00 0.37 H new ATOM 0 HA GLU A 45 9.056 -6.796 0.532 1.00 0.35 H new ATOM 0 HB2 GLU A 45 10.338 -6.286 -1.473 1.00 0.41 H new ATOM 0 HB3 GLU A 45 11.200 -5.742 -0.048 1.00 0.41 H new ATOM 0 HG2 GLU A 45 11.915 -8.511 -0.696 1.00 0.47 H new ATOM 0 HG3 GLU A 45 12.176 -7.466 -2.078 1.00 0.47 H new ATOM 679 N ALA A 46 9.959 -9.817 -0.055 1.00 0.34 N ATOM 680 CA ALA A 46 9.571 -11.078 -0.665 1.00 0.37 C ATOM 681 C ALA A 46 8.155 -11.443 -0.214 1.00 0.33 C ATOM 682 O ALA A 46 7.263 -11.621 -1.042 1.00 0.34 O ATOM 683 CB ALA A 46 10.594 -12.156 -0.304 1.00 0.45 C ATOM 0 H ALA A 46 10.679 -9.894 0.663 1.00 0.34 H new ATOM 0 HA ALA A 46 9.559 -10.991 -1.751 1.00 0.37 H new ATOM 0 HB1 ALA A 46 10.303 -13.102 -0.761 1.00 0.45 H new ATOM 0 HB2 ALA A 46 11.577 -11.862 -0.672 1.00 0.45 H new ATOM 0 HB3 ALA A 46 10.632 -12.273 0.779 1.00 0.45 H new ATOM 689 N GLU A 47 7.994 -11.543 1.097 1.00 0.35 N ATOM 690 CA GLU A 47 6.702 -11.884 1.668 1.00 0.37 C ATOM 691 C GLU A 47 5.626 -10.923 1.159 1.00 0.34 C ATOM 692 O GLU A 47 4.528 -11.347 0.803 1.00 0.39 O ATOM 693 CB GLU A 47 6.760 -11.881 3.197 1.00 0.42 C ATOM 694 CG GLU A 47 7.195 -13.247 3.732 1.00 0.44 C ATOM 695 CD GLU A 47 6.216 -13.759 4.790 1.00 0.89 C ATOM 696 OE1 GLU A 47 5.007 -13.796 4.474 1.00 1.58 O ATOM 697 OE2 GLU A 47 6.698 -14.103 5.891 1.00 1.97 O ATOM 0 H GLU A 47 8.737 -11.394 1.780 1.00 0.35 H new ATOM 0 HA GLU A 47 6.441 -12.893 1.349 1.00 0.37 H new ATOM 0 HB2 GLU A 47 7.457 -11.115 3.537 1.00 0.42 H new ATOM 0 HB3 GLU A 47 5.781 -11.623 3.601 1.00 0.42 H new ATOM 0 HG2 GLU A 47 7.254 -13.961 2.911 1.00 0.44 H new ATOM 0 HG3 GLU A 47 8.194 -13.172 4.162 1.00 0.44 H new ATOM 704 N LEU A 48 5.980 -9.646 1.139 1.00 0.31 N ATOM 705 CA LEU A 48 5.058 -8.621 0.679 1.00 0.33 C ATOM 706 C LEU A 48 4.878 -8.746 -0.835 1.00 0.29 C ATOM 707 O LEU A 48 3.858 -8.325 -1.379 1.00 0.31 O ATOM 708 CB LEU A 48 5.528 -7.237 1.130 1.00 0.39 C ATOM 709 CG LEU A 48 5.283 -6.891 2.600 1.00 0.47 C ATOM 710 CD1 LEU A 48 3.786 -6.821 2.905 1.00 0.55 C ATOM 711 CD2 LEU A 48 6.011 -7.871 3.522 1.00 0.51 C ATOM 0 H LEU A 48 6.892 -9.298 1.434 1.00 0.31 H new ATOM 0 HA LEU A 48 4.076 -8.761 1.130 1.00 0.33 H new ATOM 0 HB2 LEU A 48 6.597 -7.156 0.932 1.00 0.39 H new ATOM 0 HB3 LEU A 48 5.031 -6.488 0.513 1.00 0.39 H new ATOM 0 HG LEU A 48 5.697 -5.901 2.791 1.00 0.47 H new ATOM 0 HD11 LEU A 48 3.640 -6.574 3.956 1.00 0.55 H new ATOM 0 HD12 LEU A 48 3.324 -6.054 2.284 1.00 0.55 H new ATOM 0 HD13 LEU A 48 3.326 -7.786 2.692 1.00 0.55 H new ATOM 0 HD21 LEU A 48 5.820 -7.603 4.561 1.00 0.51 H new ATOM 0 HD22 LEU A 48 5.650 -8.882 3.336 1.00 0.51 H new ATOM 0 HD23 LEU A 48 7.082 -7.827 3.327 1.00 0.51 H new ATOM 723 N GLN A 49 5.883 -9.328 -1.473 1.00 0.26 N ATOM 724 CA GLN A 49 5.848 -9.514 -2.913 1.00 0.26 C ATOM 725 C GLN A 49 4.541 -10.191 -3.329 1.00 0.23 C ATOM 726 O GLN A 49 3.971 -9.864 -4.369 1.00 0.24 O ATOM 727 CB GLN A 49 7.059 -10.317 -3.392 1.00 0.31 C ATOM 728 CG GLN A 49 7.278 -10.136 -4.896 1.00 0.38 C ATOM 729 CD GLN A 49 8.602 -10.762 -5.336 1.00 0.57 C ATOM 730 OE1 GLN A 49 8.729 -11.966 -5.487 1.00 1.26 O ATOM 731 NE2 GLN A 49 9.578 -9.881 -5.534 1.00 2.13 N ATOM 0 H GLN A 49 6.727 -9.677 -1.018 1.00 0.26 H new ATOM 0 HA GLN A 49 5.893 -8.534 -3.388 1.00 0.26 H new ATOM 0 HB2 GLN A 49 7.949 -9.997 -2.850 1.00 0.31 H new ATOM 0 HB3 GLN A 49 6.911 -11.373 -3.167 1.00 0.31 H new ATOM 0 HG2 GLN A 49 6.455 -10.594 -5.445 1.00 0.38 H new ATOM 0 HG3 GLN A 49 7.274 -9.074 -5.143 1.00 0.38 H new ATOM 0 HE21 GLN A 49 9.404 -8.886 -5.389 1.00 2.13 H new ATOM 0 HE22 GLN A 49 10.500 -10.200 -5.831 1.00 2.13 H new ATOM 740 N ASP A 50 4.103 -11.124 -2.496 1.00 0.25 N ATOM 741 CA ASP A 50 2.874 -11.851 -2.764 1.00 0.28 C ATOM 742 C ASP A 50 1.681 -10.910 -2.584 1.00 0.28 C ATOM 743 O ASP A 50 0.668 -11.049 -3.267 1.00 0.30 O ATOM 744 CB ASP A 50 2.703 -13.021 -1.794 1.00 0.34 C ATOM 745 CG ASP A 50 1.563 -13.983 -2.135 1.00 0.55 C ATOM 746 OD1 ASP A 50 1.677 -14.647 -3.187 1.00 1.87 O ATOM 747 OD2 ASP A 50 0.604 -14.032 -1.335 1.00 1.63 O ATOM 0 H ASP A 50 4.578 -11.393 -1.634 1.00 0.25 H new ATOM 0 HA ASP A 50 2.924 -12.233 -3.784 1.00 0.28 H new ATOM 0 HB2 ASP A 50 3.636 -13.584 -1.760 1.00 0.34 H new ATOM 0 HB3 ASP A 50 2.535 -12.622 -0.794 1.00 0.34 H new ATOM 752 N MET A 51 1.841 -9.973 -1.661 1.00 0.27 N ATOM 753 CA MET A 51 0.790 -9.009 -1.383 1.00 0.30 C ATOM 754 C MET A 51 0.635 -8.017 -2.538 1.00 0.30 C ATOM 755 O MET A 51 -0.443 -7.897 -3.118 1.00 0.34 O ATOM 756 CB MET A 51 1.121 -8.248 -0.097 1.00 0.33 C ATOM 757 CG MET A 51 1.138 -9.191 1.108 1.00 0.60 C ATOM 758 SD MET A 51 -0.465 -9.950 1.312 1.00 1.96 S ATOM 759 CE MET A 51 0.013 -11.668 1.379 1.00 3.68 C ATOM 0 H MET A 51 2.683 -9.861 -1.096 1.00 0.27 H new ATOM 0 HA MET A 51 -0.149 -9.549 -1.264 1.00 0.30 H new ATOM 0 HB2 MET A 51 2.092 -7.762 -0.197 1.00 0.33 H new ATOM 0 HB3 MET A 51 0.385 -7.460 0.063 1.00 0.33 H new ATOM 0 HG2 MET A 51 1.898 -9.960 0.968 1.00 0.60 H new ATOM 0 HG3 MET A 51 1.405 -8.639 2.009 1.00 0.60 H new ATOM 0 HE1 MET A 51 -0.875 -12.288 1.505 1.00 3.68 H new ATOM 0 HE2 MET A 51 0.518 -11.942 0.453 1.00 3.68 H new ATOM 0 HE3 MET A 51 0.688 -11.825 2.220 1.00 3.68 H new ATOM 769 N ILE A 52 1.729 -7.332 -2.837 1.00 0.27 N ATOM 770 CA ILE A 52 1.729 -6.354 -3.912 1.00 0.29 C ATOM 771 C ILE A 52 1.124 -6.984 -5.169 1.00 0.30 C ATOM 772 O ILE A 52 0.319 -6.357 -5.855 1.00 0.30 O ATOM 773 CB ILE A 52 3.136 -5.791 -4.124 1.00 0.29 C ATOM 774 CG1 ILE A 52 4.146 -6.914 -4.367 1.00 0.28 C ATOM 775 CG2 ILE A 52 3.547 -4.892 -2.956 1.00 0.33 C ATOM 776 CD1 ILE A 52 4.208 -7.284 -5.850 1.00 0.34 C ATOM 0 H ILE A 52 2.621 -7.435 -2.354 1.00 0.27 H new ATOM 0 HA ILE A 52 1.104 -5.500 -3.650 1.00 0.29 H new ATOM 0 HB ILE A 52 3.125 -5.171 -5.020 1.00 0.29 H new ATOM 0 HG12 ILE A 52 5.133 -6.601 -4.025 1.00 0.28 H new ATOM 0 HG13 ILE A 52 3.869 -7.790 -3.781 1.00 0.28 H new ATOM 0 HG21 ILE A 52 4.551 -4.504 -3.131 1.00 0.33 H new ATOM 0 HG22 ILE A 52 2.847 -4.061 -2.873 1.00 0.33 H new ATOM 0 HG23 ILE A 52 3.537 -5.469 -2.031 1.00 0.33 H new ATOM 0 HD11 ILE A 52 4.933 -8.085 -5.995 1.00 0.34 H new ATOM 0 HD12 ILE A 52 3.226 -7.620 -6.183 1.00 0.34 H new ATOM 0 HD13 ILE A 52 4.509 -6.412 -6.430 1.00 0.34 H new ATOM 788 N ASN A 53 1.534 -8.216 -5.431 1.00 0.34 N ATOM 789 CA ASN A 53 1.043 -8.938 -6.592 1.00 0.38 C ATOM 790 C ASN A 53 -0.458 -9.189 -6.433 1.00 0.37 C ATOM 791 O ASN A 53 -1.196 -9.206 -7.418 1.00 0.39 O ATOM 792 CB ASN A 53 1.736 -10.294 -6.732 1.00 0.45 C ATOM 793 CG ASN A 53 2.620 -10.332 -7.981 1.00 1.35 C ATOM 794 OD1 ASN A 53 2.307 -9.759 -9.012 1.00 1.77 O ATOM 795 ND2 ASN A 53 3.738 -11.036 -7.831 1.00 2.08 N ATOM 0 H ASN A 53 2.201 -8.733 -4.859 1.00 0.34 H new ATOM 0 HA ASN A 53 1.250 -8.335 -7.476 1.00 0.38 H new ATOM 0 HB2 ASN A 53 2.342 -10.490 -5.847 1.00 0.45 H new ATOM 0 HB3 ASN A 53 0.988 -11.085 -6.787 1.00 0.45 H new ATOM 0 HD21 ASN A 53 4.395 -11.121 -8.607 1.00 2.08 H new ATOM 0 HD22 ASN A 53 3.939 -11.491 -6.940 1.00 2.08 H new ATOM 802 N GLU A 54 -0.866 -9.376 -5.187 1.00 0.37 N ATOM 803 CA GLU A 54 -2.266 -9.625 -4.886 1.00 0.41 C ATOM 804 C GLU A 54 -3.091 -8.358 -5.116 1.00 0.38 C ATOM 805 O GLU A 54 -4.008 -8.349 -5.936 1.00 0.42 O ATOM 806 CB GLU A 54 -2.436 -10.139 -3.456 1.00 0.45 C ATOM 807 CG GLU A 54 -3.916 -10.320 -3.111 1.00 0.46 C ATOM 808 CD GLU A 54 -4.379 -11.747 -3.411 1.00 0.81 C ATOM 809 OE1 GLU A 54 -4.043 -12.635 -2.598 1.00 1.70 O ATOM 810 OE2 GLU A 54 -5.059 -11.917 -4.446 1.00 2.33 O ATOM 0 H GLU A 54 -0.251 -9.360 -4.373 1.00 0.37 H new ATOM 0 HA GLU A 54 -2.631 -10.400 -5.560 1.00 0.41 H new ATOM 0 HB2 GLU A 54 -1.914 -11.089 -3.343 1.00 0.45 H new ATOM 0 HB3 GLU A 54 -1.979 -9.438 -2.757 1.00 0.45 H new ATOM 0 HG2 GLU A 54 -4.077 -10.096 -2.057 1.00 0.46 H new ATOM 0 HG3 GLU A 54 -4.516 -9.612 -3.683 1.00 0.46 H new ATOM 817 N VAL A 55 -2.737 -7.317 -4.376 1.00 0.32 N ATOM 818 CA VAL A 55 -3.433 -6.047 -4.489 1.00 0.32 C ATOM 819 C VAL A 55 -3.379 -5.567 -5.940 1.00 0.30 C ATOM 820 O VAL A 55 -4.392 -5.145 -6.497 1.00 0.41 O ATOM 821 CB VAL A 55 -2.843 -5.037 -3.502 1.00 0.30 C ATOM 822 CG1 VAL A 55 -2.812 -5.610 -2.084 1.00 0.35 C ATOM 823 CG2 VAL A 55 -1.448 -4.591 -3.944 1.00 0.27 C ATOM 0 H VAL A 55 -1.977 -7.328 -3.696 1.00 0.32 H new ATOM 0 HA VAL A 55 -4.484 -6.163 -4.225 1.00 0.32 H new ATOM 0 HB VAL A 55 -3.489 -4.159 -3.494 1.00 0.30 H new ATOM 0 HG11 VAL A 55 -2.388 -4.872 -1.403 1.00 0.35 H new ATOM 0 HG12 VAL A 55 -3.826 -5.855 -1.768 1.00 0.35 H new ATOM 0 HG13 VAL A 55 -2.199 -6.511 -2.069 1.00 0.35 H new ATOM 0 HG21 VAL A 55 -1.051 -3.874 -3.226 1.00 0.27 H new ATOM 0 HG22 VAL A 55 -0.788 -5.457 -3.994 1.00 0.27 H new ATOM 0 HG23 VAL A 55 -1.510 -4.124 -4.927 1.00 0.27 H new ATOM 833 N ASP A 56 -2.187 -5.648 -6.513 1.00 0.29 N ATOM 834 CA ASP A 56 -1.987 -5.227 -7.889 1.00 0.32 C ATOM 835 C ASP A 56 -3.044 -5.885 -8.777 1.00 0.36 C ATOM 836 O ASP A 56 -2.990 -7.089 -9.025 1.00 0.43 O ATOM 837 CB ASP A 56 -0.609 -5.651 -8.400 1.00 0.41 C ATOM 838 CG ASP A 56 -0.417 -5.535 -9.913 1.00 0.42 C ATOM 839 OD1 ASP A 56 -0.364 -4.381 -10.392 1.00 0.55 O ATOM 840 OD2 ASP A 56 -0.327 -6.602 -10.558 1.00 0.77 O ATOM 0 H ASP A 56 -1.349 -5.999 -6.049 1.00 0.29 H new ATOM 0 HA ASP A 56 -2.065 -4.140 -7.924 1.00 0.32 H new ATOM 0 HB2 ASP A 56 0.148 -5.043 -7.905 1.00 0.41 H new ATOM 0 HB3 ASP A 56 -0.431 -6.685 -8.104 1.00 0.41 H new ATOM 845 N ALA A 57 -3.982 -5.067 -9.232 1.00 0.39 N ATOM 846 CA ALA A 57 -5.050 -5.555 -10.088 1.00 0.48 C ATOM 847 C ALA A 57 -4.671 -5.323 -11.552 1.00 0.52 C ATOM 848 O ALA A 57 -4.609 -6.267 -12.338 1.00 0.61 O ATOM 849 CB ALA A 57 -6.363 -4.866 -9.709 1.00 0.60 C ATOM 0 H ALA A 57 -4.024 -4.069 -9.024 1.00 0.39 H new ATOM 0 HA ALA A 57 -5.193 -6.627 -9.951 1.00 0.48 H new ATOM 0 HB1 ALA A 57 -7.164 -5.232 -10.351 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -6.602 -5.086 -8.669 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -6.259 -3.789 -9.837 1.00 0.60 H new ATOM 855 N ASP A 58 -4.428 -4.061 -11.874 1.00 0.52 N ATOM 856 CA ASP A 58 -4.057 -3.693 -13.230 1.00 0.59 C ATOM 857 C ASP A 58 -3.102 -4.746 -13.796 1.00 0.59 C ATOM 858 O ASP A 58 -3.141 -5.048 -14.988 1.00 0.67 O ATOM 859 CB ASP A 58 -3.341 -2.342 -13.258 1.00 0.62 C ATOM 860 CG ASP A 58 -2.424 -2.071 -12.063 1.00 0.82 C ATOM 861 OD1 ASP A 58 -2.083 -3.057 -11.375 1.00 1.41 O ATOM 862 OD2 ASP A 58 -2.085 -0.885 -11.865 1.00 2.16 O ATOM 0 H ASP A 58 -4.481 -3.281 -11.219 1.00 0.52 H new ATOM 0 HA ASP A 58 -4.969 -3.630 -13.824 1.00 0.59 H new ATOM 0 HB2 ASP A 58 -2.750 -2.280 -14.172 1.00 0.62 H new ATOM 0 HB3 ASP A 58 -4.090 -1.552 -13.309 1.00 0.62 H new ATOM 867 N GLY A 59 -2.267 -5.276 -12.915 1.00 0.57 N ATOM 868 CA GLY A 59 -1.304 -6.289 -13.312 1.00 0.63 C ATOM 869 C GLY A 59 0.054 -5.660 -13.630 1.00 0.65 C ATOM 870 O GLY A 59 0.243 -5.091 -14.705 1.00 0.81 O ATOM 0 H GLY A 59 -2.237 -5.023 -11.927 1.00 0.57 H new ATOM 0 HA2 GLY A 59 -1.191 -7.022 -12.513 1.00 0.63 H new ATOM 0 HA3 GLY A 59 -1.674 -6.825 -14.186 1.00 0.63 H new ATOM 874 N ASP A 60 0.965 -5.782 -12.676 1.00 0.61 N ATOM 875 CA ASP A 60 2.300 -5.232 -12.841 1.00 0.66 C ATOM 876 C ASP A 60 3.212 -5.780 -11.741 1.00 0.62 C ATOM 877 O ASP A 60 4.298 -6.283 -12.025 1.00 0.83 O ATOM 878 CB ASP A 60 2.285 -3.706 -12.726 1.00 0.70 C ATOM 879 CG ASP A 60 0.961 -3.042 -13.109 1.00 1.14 C ATOM 880 OD1 ASP A 60 0.784 -2.788 -14.320 1.00 2.75 O ATOM 881 OD2 ASP A 60 0.157 -2.803 -12.183 1.00 1.02 O ATOM 0 H ASP A 60 0.805 -6.254 -11.786 1.00 0.61 H new ATOM 0 HA ASP A 60 2.662 -5.516 -13.829 1.00 0.66 H new ATOM 0 HB2 ASP A 60 2.528 -3.432 -11.700 1.00 0.70 H new ATOM 0 HB3 ASP A 60 3.074 -3.301 -13.360 1.00 0.70 H new ATOM 886 N GLY A 61 2.737 -5.664 -10.510 1.00 0.49 N ATOM 887 CA GLY A 61 3.496 -6.141 -9.367 1.00 0.55 C ATOM 888 C GLY A 61 3.825 -4.994 -8.409 1.00 0.69 C ATOM 889 O GLY A 61 4.781 -5.078 -7.640 1.00 1.29 O ATOM 0 H GLY A 61 1.836 -5.246 -10.279 1.00 0.49 H new ATOM 0 HA2 GLY A 61 2.925 -6.906 -8.841 1.00 0.55 H new ATOM 0 HA3 GLY A 61 4.419 -6.610 -9.709 1.00 0.55 H new ATOM 893 N THR A 62 3.014 -3.949 -8.488 1.00 0.46 N ATOM 894 CA THR A 62 3.207 -2.787 -7.637 1.00 0.52 C ATOM 895 C THR A 62 1.868 -2.318 -7.064 1.00 0.41 C ATOM 896 O THR A 62 0.810 -2.660 -7.588 1.00 0.34 O ATOM 897 CB THR A 62 3.926 -1.715 -8.458 1.00 0.71 C ATOM 898 OG1 THR A 62 5.088 -2.375 -8.951 1.00 0.85 O ATOM 899 CG2 THR A 62 4.480 -0.584 -7.589 1.00 0.82 C ATOM 0 H THR A 62 2.222 -3.883 -9.128 1.00 0.46 H new ATOM 0 HA THR A 62 3.828 -3.027 -6.774 1.00 0.52 H new ATOM 0 HB THR A 62 3.238 -1.302 -9.195 1.00 0.71 H new ATOM 0 HG1 THR A 62 5.612 -1.751 -9.496 1.00 0.85 H new ATOM 0 HG21 THR A 62 4.980 0.149 -8.222 1.00 0.82 H new ATOM 0 HG22 THR A 62 3.662 -0.103 -7.053 1.00 0.82 H new ATOM 0 HG23 THR A 62 5.193 -0.992 -6.872 1.00 0.82 H new ATOM 907 N ILE A 63 1.959 -1.541 -5.994 1.00 0.53 N ATOM 908 CA ILE A 63 0.768 -1.021 -5.344 1.00 0.47 C ATOM 909 C ILE A 63 0.389 0.318 -5.979 1.00 0.48 C ATOM 910 O ILE A 63 1.170 0.894 -6.736 1.00 0.66 O ATOM 911 CB ILE A 63 0.974 -0.947 -3.830 1.00 0.44 C ATOM 912 CG1 ILE A 63 1.393 -2.306 -3.266 1.00 0.54 C ATOM 913 CG2 ILE A 63 -0.272 -0.396 -3.133 1.00 0.47 C ATOM 914 CD1 ILE A 63 1.265 -2.330 -1.741 1.00 0.60 C ATOM 0 H ILE A 63 2.839 -1.259 -5.561 1.00 0.53 H new ATOM 0 HA ILE A 63 -0.074 -1.696 -5.496 1.00 0.47 H new ATOM 0 HB ILE A 63 1.789 -0.251 -3.630 1.00 0.44 H new ATOM 0 HG12 ILE A 63 0.772 -3.090 -3.699 1.00 0.54 H new ATOM 0 HG13 ILE A 63 2.423 -2.520 -3.552 1.00 0.54 H new ATOM 0 HG21 ILE A 63 -0.099 -0.354 -2.058 1.00 0.47 H new ATOM 0 HG22 ILE A 63 -0.484 0.606 -3.506 1.00 0.47 H new ATOM 0 HG23 ILE A 63 -1.122 -1.047 -3.338 1.00 0.47 H new ATOM 0 HD11 ILE A 63 1.569 -3.307 -1.366 1.00 0.60 H new ATOM 0 HD12 ILE A 63 1.905 -1.560 -1.310 1.00 0.60 H new ATOM 0 HD13 ILE A 63 0.229 -2.139 -1.460 1.00 0.60 H new ATOM 926 N ASP A 64 -0.810 0.775 -5.649 1.00 0.47 N ATOM 927 CA ASP A 64 -1.303 2.036 -6.178 1.00 0.51 C ATOM 928 C ASP A 64 -2.278 2.658 -5.176 1.00 0.46 C ATOM 929 O ASP A 64 -2.613 2.041 -4.166 1.00 0.50 O ATOM 930 CB ASP A 64 -2.049 1.826 -7.496 1.00 0.59 C ATOM 931 CG ASP A 64 -2.052 3.032 -8.437 1.00 1.16 C ATOM 932 OD1 ASP A 64 -2.279 4.150 -7.927 1.00 2.35 O ATOM 933 OD2 ASP A 64 -1.826 2.809 -9.646 1.00 2.07 O ATOM 0 H ASP A 64 -1.455 0.295 -5.022 1.00 0.47 H new ATOM 0 HA ASP A 64 -0.446 2.688 -6.349 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -1.603 0.979 -8.017 1.00 0.59 H new ATOM 0 HB3 ASP A 64 -3.081 1.556 -7.273 1.00 0.59 H new ATOM 938 N PHE A 65 -2.706 3.871 -5.491 1.00 0.47 N ATOM 939 CA PHE A 65 -3.636 4.584 -4.632 1.00 0.48 C ATOM 940 C PHE A 65 -4.963 3.832 -4.518 1.00 0.43 C ATOM 941 O PHE A 65 -5.440 3.570 -3.414 1.00 0.44 O ATOM 942 CB PHE A 65 -3.889 5.946 -5.279 1.00 0.55 C ATOM 943 CG PHE A 65 -3.594 7.135 -4.362 1.00 0.80 C ATOM 944 CD1 PHE A 65 -4.027 7.124 -3.073 1.00 0.42 C ATOM 945 CD2 PHE A 65 -2.898 8.204 -4.837 1.00 1.95 C ATOM 946 CE1 PHE A 65 -3.753 8.228 -2.223 1.00 0.41 C ATOM 947 CE2 PHE A 65 -2.624 9.307 -3.986 1.00 2.22 C ATOM 948 CZ PHE A 65 -3.058 9.296 -2.697 1.00 1.33 C ATOM 0 H PHE A 65 -2.426 4.379 -6.330 1.00 0.47 H new ATOM 0 HA PHE A 65 -3.217 4.682 -3.630 1.00 0.48 H new ATOM 0 HB2 PHE A 65 -3.275 6.031 -6.176 1.00 0.55 H new ATOM 0 HB3 PHE A 65 -4.930 5.997 -5.599 1.00 0.55 H new ATOM 0 HD1 PHE A 65 -4.579 6.276 -2.696 1.00 0.42 H new ATOM 0 HD2 PHE A 65 -2.554 8.213 -5.861 1.00 1.95 H new ATOM 0 HE1 PHE A 65 -4.097 8.219 -1.199 1.00 0.41 H new ATOM 0 HE2 PHE A 65 -2.071 10.155 -4.362 1.00 2.22 H new ATOM 0 HZ PHE A 65 -2.851 10.136 -2.050 1.00 1.33 H new ATOM 958 N PRO A 66 -5.538 3.497 -5.704 1.00 0.42 N ATOM 959 CA PRO A 66 -6.801 2.780 -5.748 1.00 0.46 C ATOM 960 C PRO A 66 -6.608 1.306 -5.386 1.00 0.45 C ATOM 961 O PRO A 66 -7.532 0.656 -4.900 1.00 0.63 O ATOM 962 CB PRO A 66 -7.318 2.981 -7.163 1.00 0.51 C ATOM 963 CG PRO A 66 -6.116 3.406 -7.990 1.00 0.47 C ATOM 964 CD PRO A 66 -5.002 3.791 -7.030 1.00 0.43 C ATOM 0 HA PRO A 66 -7.521 3.151 -5.018 1.00 0.46 H new ATOM 0 HB2 PRO A 66 -7.755 2.062 -7.553 1.00 0.51 H new ATOM 0 HB3 PRO A 66 -8.099 3.741 -7.189 1.00 0.51 H new ATOM 0 HG2 PRO A 66 -5.794 2.594 -8.642 1.00 0.47 H new ATOM 0 HG3 PRO A 66 -6.373 4.248 -8.633 1.00 0.47 H new ATOM 0 HD2 PRO A 66 -4.095 3.219 -7.226 1.00 0.43 H new ATOM 0 HD3 PRO A 66 -4.742 4.845 -7.127 1.00 0.43 H new ATOM 972 N GLU A 67 -5.400 0.821 -5.637 1.00 0.35 N ATOM 973 CA GLU A 67 -5.074 -0.564 -5.344 1.00 0.36 C ATOM 974 C GLU A 67 -5.001 -0.783 -3.831 1.00 0.38 C ATOM 975 O GLU A 67 -5.752 -1.587 -3.280 1.00 0.50 O ATOM 976 CB GLU A 67 -3.765 -0.974 -6.021 1.00 0.35 C ATOM 977 CG GLU A 67 -3.997 -1.336 -7.489 1.00 0.40 C ATOM 978 CD GLU A 67 -2.689 -1.753 -8.164 1.00 0.42 C ATOM 979 OE1 GLU A 67 -1.629 -1.305 -7.675 1.00 1.54 O ATOM 980 OE2 GLU A 67 -2.778 -2.511 -9.154 1.00 1.50 O ATOM 0 H GLU A 67 -4.636 1.363 -6.040 1.00 0.35 H new ATOM 0 HA GLU A 67 -5.866 -1.196 -5.745 1.00 0.36 H new ATOM 0 HB2 GLU A 67 -3.045 -0.158 -5.953 1.00 0.35 H new ATOM 0 HB3 GLU A 67 -3.332 -1.826 -5.497 1.00 0.35 H new ATOM 0 HG2 GLU A 67 -4.721 -2.148 -7.557 1.00 0.40 H new ATOM 0 HG3 GLU A 67 -4.426 -0.483 -8.014 1.00 0.40 H new ATOM 987 N PHE A 68 -4.090 -0.055 -3.203 1.00 0.35 N ATOM 988 CA PHE A 68 -3.910 -0.160 -1.765 1.00 0.40 C ATOM 989 C PHE A 68 -5.225 0.097 -1.027 1.00 0.37 C ATOM 990 O PHE A 68 -5.532 -0.576 -0.044 1.00 0.41 O ATOM 991 CB PHE A 68 -2.895 0.912 -1.362 1.00 0.44 C ATOM 992 CG PHE A 68 -1.991 0.506 -0.197 1.00 0.69 C ATOM 993 CD1 PHE A 68 -1.490 -0.757 -0.132 1.00 1.40 C ATOM 994 CD2 PHE A 68 -1.688 1.408 0.775 1.00 0.54 C ATOM 995 CE1 PHE A 68 -0.651 -1.134 0.950 1.00 1.73 C ATOM 996 CE2 PHE A 68 -0.848 1.031 1.857 1.00 0.72 C ATOM 997 CZ PHE A 68 -0.348 -0.232 1.921 1.00 1.31 C ATOM 0 H PHE A 68 -3.469 0.610 -3.663 1.00 0.35 H new ATOM 0 HA PHE A 68 -3.569 -1.162 -1.505 1.00 0.40 H new ATOM 0 HB2 PHE A 68 -2.273 1.152 -2.225 1.00 0.44 H new ATOM 0 HB3 PHE A 68 -3.431 1.822 -1.093 1.00 0.44 H new ATOM 0 HD1 PHE A 68 -1.730 -1.473 -0.904 1.00 1.40 H new ATOM 0 HD2 PHE A 68 -2.086 2.411 0.724 1.00 0.54 H new ATOM 0 HE1 PHE A 68 -0.254 -2.137 1.001 1.00 1.73 H new ATOM 0 HE2 PHE A 68 -0.607 1.747 2.628 1.00 0.72 H new ATOM 0 HZ PHE A 68 0.290 -0.519 2.744 1.00 1.31 H new ATOM 1007 N LEU A 69 -5.967 1.073 -1.529 1.00 0.40 N ATOM 1008 CA LEU A 69 -7.243 1.427 -0.930 1.00 0.44 C ATOM 1009 C LEU A 69 -8.061 0.156 -0.693 1.00 0.44 C ATOM 1010 O LEU A 69 -8.672 -0.005 0.362 1.00 0.55 O ATOM 1011 CB LEU A 69 -7.964 2.472 -1.784 1.00 0.56 C ATOM 1012 CG LEU A 69 -9.283 2.026 -2.417 1.00 1.32 C ATOM 1013 CD1 LEU A 69 -10.436 2.136 -1.417 1.00 1.77 C ATOM 1014 CD2 LEU A 69 -9.564 2.805 -3.704 1.00 2.20 C ATOM 0 H LEU A 69 -5.709 1.630 -2.344 1.00 0.40 H new ATOM 0 HA LEU A 69 -7.090 1.894 0.043 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -8.159 3.347 -1.164 1.00 0.56 H new ATOM 0 HB3 LEU A 69 -7.291 2.789 -2.580 1.00 0.56 H new ATOM 0 HG LEU A 69 -9.193 0.975 -2.690 1.00 1.32 H new ATOM 0 HD11 LEU A 69 -11.362 1.813 -1.892 1.00 1.77 H new ATOM 0 HD12 LEU A 69 -10.231 1.502 -0.554 1.00 1.77 H new ATOM 0 HD13 LEU A 69 -10.537 3.171 -1.091 1.00 1.77 H new ATOM 0 HD21 LEU A 69 -10.507 2.469 -4.134 1.00 2.20 H new ATOM 0 HD22 LEU A 69 -9.627 3.870 -3.479 1.00 2.20 H new ATOM 0 HD23 LEU A 69 -8.758 2.632 -4.417 1.00 2.20 H new ATOM 1026 N THR A 70 -8.045 -0.714 -1.692 1.00 0.41 N ATOM 1027 CA THR A 70 -8.778 -1.966 -1.605 1.00 0.48 C ATOM 1028 C THR A 70 -8.104 -2.910 -0.608 1.00 0.49 C ATOM 1029 O THR A 70 -8.780 -3.584 0.168 1.00 0.60 O ATOM 1030 CB THR A 70 -8.887 -2.548 -3.016 1.00 0.58 C ATOM 1031 OG1 THR A 70 -9.922 -1.784 -3.628 1.00 0.67 O ATOM 1032 CG2 THR A 70 -9.430 -3.979 -3.018 1.00 0.67 C ATOM 0 H THR A 70 -7.536 -0.577 -2.565 1.00 0.41 H new ATOM 0 HA THR A 70 -9.787 -1.809 -1.224 1.00 0.48 H new ATOM 0 HB THR A 70 -7.907 -2.530 -3.493 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.058 -2.094 -4.548 1.00 0.67 H new ATOM 0 HG21 THR A 70 -9.488 -4.345 -4.043 1.00 0.67 H new ATOM 0 HG22 THR A 70 -8.765 -4.621 -2.440 1.00 0.67 H new ATOM 0 HG23 THR A 70 -10.424 -3.991 -2.572 1.00 0.67 H new ATOM 1040 N MET A 71 -6.780 -2.929 -0.662 1.00 0.44 N ATOM 1041 CA MET A 71 -6.007 -3.780 0.227 1.00 0.50 C ATOM 1042 C MET A 71 -6.416 -3.564 1.685 1.00 0.55 C ATOM 1043 O MET A 71 -6.862 -4.496 2.353 1.00 0.65 O ATOM 1044 CB MET A 71 -4.518 -3.471 0.063 1.00 0.51 C ATOM 1045 CG MET A 71 -3.678 -4.275 1.057 1.00 0.59 C ATOM 1046 SD MET A 71 -2.531 -3.198 1.899 1.00 2.08 S ATOM 1047 CE MET A 71 -2.727 -3.784 3.573 1.00 2.79 C ATOM 0 H MET A 71 -6.223 -2.369 -1.307 1.00 0.44 H new ATOM 0 HA MET A 71 -6.202 -4.820 -0.035 1.00 0.50 H new ATOM 0 HB2 MET A 71 -4.205 -3.704 -0.955 1.00 0.51 H new ATOM 0 HB3 MET A 71 -4.345 -2.405 0.214 1.00 0.51 H new ATOM 0 HG2 MET A 71 -4.328 -4.765 1.782 1.00 0.59 H new ATOM 0 HG3 MET A 71 -3.134 -5.061 0.534 1.00 0.59 H new ATOM 0 HE1 MET A 71 -2.076 -3.214 4.236 1.00 2.79 H new ATOM 0 HE2 MET A 71 -3.764 -3.657 3.884 1.00 2.79 H new ATOM 0 HE3 MET A 71 -2.461 -4.840 3.622 1.00 2.79 H new ATOM 1057 N MET A 72 -6.249 -2.330 2.137 1.00 0.53 N ATOM 1058 CA MET A 72 -6.595 -1.980 3.504 1.00 0.61 C ATOM 1059 C MET A 72 -8.054 -2.328 3.807 1.00 0.63 C ATOM 1060 O MET A 72 -8.332 -3.129 4.698 1.00 0.73 O ATOM 1061 CB MET A 72 -6.372 -0.481 3.719 1.00 0.64 C ATOM 1062 CG MET A 72 -5.893 -0.198 5.145 1.00 1.32 C ATOM 1063 SD MET A 72 -4.216 0.412 5.115 1.00 2.21 S ATOM 1064 CE MET A 72 -3.572 -0.381 6.579 1.00 2.78 C ATOM 0 H MET A 72 -5.878 -1.560 1.580 1.00 0.53 H new ATOM 0 HA MET A 72 -5.957 -2.552 4.178 1.00 0.61 H new ATOM 0 HB2 MET A 72 -5.636 -0.113 3.004 1.00 0.64 H new ATOM 0 HB3 MET A 72 -7.299 0.059 3.529 1.00 0.64 H new ATOM 0 HG2 MET A 72 -6.547 0.534 5.619 1.00 1.32 H new ATOM 0 HG3 MET A 72 -5.947 -1.108 5.743 1.00 1.32 H new ATOM 0 HE1 MET A 72 -2.526 -0.106 6.712 1.00 2.78 H new ATOM 0 HE2 MET A 72 -4.145 -0.059 7.449 1.00 2.78 H new ATOM 0 HE3 MET A 72 -3.652 -1.463 6.472 1.00 2.78 H new ATOM 1074 N ALA A 73 -8.946 -1.708 3.048 1.00 0.58 N ATOM 1075 CA ALA A 73 -10.369 -1.943 3.224 1.00 0.63 C ATOM 1076 C ALA A 73 -10.614 -3.439 3.428 1.00 0.69 C ATOM 1077 O ALA A 73 -11.191 -3.846 4.435 1.00 0.79 O ATOM 1078 CB ALA A 73 -11.131 -1.386 2.019 1.00 0.61 C ATOM 0 H ALA A 73 -8.711 -1.044 2.310 1.00 0.58 H new ATOM 0 HA ALA A 73 -10.736 -1.426 4.110 1.00 0.63 H new ATOM 0 HB1 ALA A 73 -12.199 -1.562 2.151 1.00 0.61 H new ATOM 0 HB2 ALA A 73 -10.947 -0.315 1.936 1.00 0.61 H new ATOM 0 HB3 ALA A 73 -10.790 -1.884 1.111 1.00 0.61 H new ATOM 1084 N ARG A 74 -10.163 -4.218 2.456 1.00 0.67 N ATOM 1085 CA ARG A 74 -10.325 -5.661 2.516 1.00 0.75 C ATOM 1086 C ARG A 74 -9.608 -6.225 3.744 1.00 0.79 C ATOM 1087 O ARG A 74 -10.122 -7.122 4.410 1.00 0.92 O ATOM 1088 CB ARG A 74 -9.771 -6.331 1.257 1.00 0.74 C ATOM 1089 CG ARG A 74 -10.630 -5.997 0.035 1.00 0.74 C ATOM 1090 CD ARG A 74 -11.363 -7.240 -0.475 1.00 0.97 C ATOM 1091 NE ARG A 74 -12.303 -6.865 -1.555 1.00 1.77 N ATOM 1092 CZ ARG A 74 -11.932 -6.597 -2.814 1.00 2.77 C ATOM 1093 NH1 ARG A 74 -10.640 -6.661 -3.161 1.00 3.82 N ATOM 1094 NH2 ARG A 74 -12.855 -6.265 -3.728 1.00 3.68 N ATOM 0 H ARG A 74 -9.685 -3.877 1.622 1.00 0.67 H new ATOM 0 HA ARG A 74 -11.392 -5.872 2.586 1.00 0.75 H new ATOM 0 HB2 ARG A 74 -8.746 -6.002 1.086 1.00 0.74 H new ATOM 0 HB3 ARG A 74 -9.739 -7.411 1.399 1.00 0.74 H new ATOM 0 HG2 ARG A 74 -11.354 -5.224 0.295 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -10.000 -5.591 -0.757 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -10.644 -7.970 -0.845 1.00 0.97 H new ATOM 0 HD3 ARG A 74 -11.906 -7.713 0.343 1.00 0.97 H new ATOM 0 HE ARG A 74 -13.295 -6.807 -1.326 1.00 1.77 H new ATOM 0 HH11 ARG A 74 -9.937 -6.914 -2.466 1.00 3.82 H new ATOM 0 HH12 ARG A 74 -10.359 -6.457 -4.120 1.00 3.82 H new ATOM 0 HH21 ARG A 74 -13.839 -6.217 -3.465 1.00 3.68 H new ATOM 0 HH22 ARG A 74 -12.573 -6.061 -4.687 1.00 3.68 H new ATOM 1108 N LYS A 75 -8.431 -5.676 4.006 1.00 0.74 N ATOM 1109 CA LYS A 75 -7.637 -6.113 5.141 1.00 0.81 C ATOM 1110 C LYS A 75 -8.537 -6.227 6.373 1.00 0.88 C ATOM 1111 O LYS A 75 -8.658 -7.301 6.961 1.00 1.00 O ATOM 1112 CB LYS A 75 -6.434 -5.190 5.342 1.00 0.81 C ATOM 1113 CG LYS A 75 -5.287 -5.926 6.037 1.00 0.91 C ATOM 1114 CD LYS A 75 -4.684 -6.992 5.120 1.00 1.54 C ATOM 1115 CE LYS A 75 -5.199 -8.386 5.486 1.00 1.57 C ATOM 1116 NZ LYS A 75 -4.081 -9.254 5.918 1.00 2.08 N ATOM 0 H LYS A 75 -8.008 -4.932 3.451 1.00 0.74 H new ATOM 0 HA LYS A 75 -7.221 -7.103 4.956 1.00 0.81 H new ATOM 0 HB2 LYS A 75 -6.096 -4.812 4.377 1.00 0.81 H new ATOM 0 HB3 LYS A 75 -6.730 -4.326 5.937 1.00 0.81 H new ATOM 0 HG2 LYS A 75 -4.516 -5.213 6.328 1.00 0.91 H new ATOM 0 HG3 LYS A 75 -5.651 -6.392 6.952 1.00 0.91 H new ATOM 0 HD2 LYS A 75 -4.935 -6.769 4.083 1.00 1.54 H new ATOM 0 HD3 LYS A 75 -3.597 -6.970 5.197 1.00 1.54 H new ATOM 0 HE2 LYS A 75 -5.937 -8.309 6.284 1.00 1.57 H new ATOM 0 HE3 LYS A 75 -5.702 -8.831 4.628 1.00 1.57 H new ATOM 0 HZ1 LYS A 75 -4.447 -10.196 6.163 1.00 2.08 H new ATOM 0 HZ2 LYS A 75 -3.391 -9.341 5.145 1.00 2.08 H new ATOM 0 HZ3 LYS A 75 -3.618 -8.836 6.750 1.00 2.08 H new ATOM 1130 N MET A 76 -9.146 -5.105 6.728 1.00 0.84 N ATOM 1131 CA MET A 76 -10.031 -5.065 7.879 1.00 0.94 C ATOM 1132 C MET A 76 -11.065 -6.191 7.815 1.00 1.03 C ATOM 1133 O MET A 76 -11.332 -6.851 8.818 1.00 1.18 O ATOM 1134 CB MET A 76 -10.749 -3.714 7.925 1.00 1.06 C ATOM 1135 CG MET A 76 -10.056 -2.758 8.897 1.00 1.64 C ATOM 1136 SD MET A 76 -11.274 -1.840 9.824 1.00 2.02 S ATOM 1137 CE MET A 76 -11.439 -2.898 11.252 1.00 3.46 C ATOM 0 H MET A 76 -9.044 -4.216 6.238 1.00 0.84 H new ATOM 0 HA MET A 76 -9.431 -5.198 8.779 1.00 0.94 H new ATOM 0 HB2 MET A 76 -10.768 -3.274 6.928 1.00 1.06 H new ATOM 0 HB3 MET A 76 -11.786 -3.859 8.229 1.00 1.06 H new ATOM 0 HG2 MET A 76 -9.416 -3.319 9.578 1.00 1.64 H new ATOM 0 HG3 MET A 76 -9.412 -2.071 8.348 1.00 1.64 H new ATOM 0 HE1 MET A 76 -12.168 -2.470 11.940 1.00 3.46 H new ATOM 0 HE2 MET A 76 -11.775 -3.886 10.936 1.00 3.46 H new ATOM 0 HE3 MET A 76 -10.475 -2.986 11.753 1.00 3.46 H new ATOM 1147 N LYS A 77 -11.618 -6.376 6.626 1.00 1.03 N ATOM 1148 CA LYS A 77 -12.617 -7.411 6.418 1.00 1.16 C ATOM 1149 C LYS A 77 -12.003 -8.776 6.732 1.00 1.23 C ATOM 1150 O LYS A 77 -12.512 -9.510 7.579 1.00 1.45 O ATOM 1151 CB LYS A 77 -13.206 -7.311 5.009 1.00 1.18 C ATOM 1152 CG LYS A 77 -14.729 -7.179 5.060 1.00 1.28 C ATOM 1153 CD LYS A 77 -15.330 -7.212 3.653 1.00 1.66 C ATOM 1154 CE LYS A 77 -15.638 -5.799 3.155 1.00 1.62 C ATOM 1155 NZ LYS A 77 -17.098 -5.552 3.167 1.00 2.39 N ATOM 0 H LYS A 77 -11.394 -5.827 5.796 1.00 1.03 H new ATOM 0 HA LYS A 77 -13.456 -7.274 7.100 1.00 1.16 H new ATOM 0 HB2 LYS A 77 -12.780 -6.451 4.493 1.00 1.18 H new ATOM 0 HB3 LYS A 77 -12.933 -8.195 4.433 1.00 1.18 H new ATOM 0 HG2 LYS A 77 -15.148 -7.989 5.657 1.00 1.28 H new ATOM 0 HG3 LYS A 77 -15.000 -6.246 5.553 1.00 1.28 H new ATOM 0 HD2 LYS A 77 -14.636 -7.699 2.969 1.00 1.66 H new ATOM 0 HD3 LYS A 77 -16.243 -7.807 3.658 1.00 1.66 H new ATOM 0 HE2 LYS A 77 -15.134 -5.067 3.786 1.00 1.62 H new ATOM 0 HE3 LYS A 77 -15.250 -5.670 2.145 1.00 1.62 H new ATOM 0 HZ1 LYS A 77 -17.290 -4.588 2.826 1.00 2.39 H new ATOM 0 HZ2 LYS A 77 -17.571 -6.239 2.547 1.00 2.39 H new ATOM 0 HZ3 LYS A 77 -17.459 -5.654 4.137 1.00 2.39 H new ATOM 1169 N ASP A 78 -10.917 -9.077 6.035 1.00 1.16 N ATOM 1170 CA ASP A 78 -10.229 -10.341 6.229 1.00 1.37 C ATOM 1171 C ASP A 78 -9.985 -10.560 7.724 1.00 1.51 C ATOM 1172 O ASP A 78 -10.490 -11.519 8.305 1.00 1.74 O ATOM 1173 CB ASP A 78 -8.871 -10.344 5.524 1.00 1.41 C ATOM 1174 CG ASP A 78 -8.737 -11.355 4.383 1.00 1.89 C ATOM 1175 OD1 ASP A 78 -8.699 -12.564 4.699 1.00 2.36 O ATOM 1176 OD2 ASP A 78 -8.674 -10.896 3.222 1.00 2.80 O ATOM 0 H ASP A 78 -10.497 -8.466 5.335 1.00 1.16 H new ATOM 0 HA ASP A 78 -10.853 -11.131 5.812 1.00 1.37 H new ATOM 0 HB2 ASP A 78 -8.681 -9.346 5.129 1.00 1.41 H new ATOM 0 HB3 ASP A 78 -8.096 -10.547 6.263 1.00 1.41 H new ATOM 1181 N THR A 79 -9.211 -9.654 8.303 1.00 1.42 N ATOM 1182 CA THR A 79 -8.895 -9.735 9.719 1.00 1.58 C ATOM 1183 C THR A 79 -10.171 -9.640 10.557 1.00 1.67 C ATOM 1184 O THR A 79 -10.244 -10.201 11.650 1.00 1.91 O ATOM 1185 CB THR A 79 -7.874 -8.641 10.039 1.00 1.48 C ATOM 1186 OG1 THR A 79 -7.583 -8.832 11.421 1.00 1.98 O ATOM 1187 CG2 THR A 79 -8.481 -7.238 9.976 1.00 1.55 C ATOM 0 H THR A 79 -8.793 -8.860 7.817 1.00 1.42 H new ATOM 0 HA THR A 79 -8.450 -10.698 9.970 1.00 1.58 H new ATOM 0 HB THR A 79 -7.040 -8.707 9.341 1.00 1.48 H new ATOM 0 HG1 THR A 79 -6.927 -8.165 11.712 1.00 1.98 H new ATOM 0 HG21 THR A 79 -7.715 -6.499 10.211 1.00 1.55 H new ATOM 0 HG22 THR A 79 -8.868 -7.054 8.974 1.00 1.55 H new ATOM 0 HG23 THR A 79 -9.294 -7.160 10.698 1.00 1.55 H new