USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 55 THR OG1 : rot 133:sc= 1.61 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.915 K(o=0.92,f=-0.95) USER MOD Set 3.1: A 7 THR OG1 : rot -173:sc= 0.185 USER MOD Set 3.2: A 9 THR OG1 : rot -25:sc= 0.0336 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -148:sc= 0.774 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 170:sc= 0.694 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 2.26 (180deg=1.56) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.23) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0668 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.526) USER MOD Single : A 31 GLN : amide:sc= -0.0173 K(o=-0.017,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.81) USER MOD Single : A 41 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.283) USER MOD Single : A 49 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.32) USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.08) USER MOD Single : A 65 SER OG : rot -170:sc= 0.0453 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.684 -7.491 -5.290 1.00 9.67 N ATOM 2 CA MET A 1 11.638 -7.427 -3.793 1.00 10.38 C ATOM 3 C MET A 1 10.271 -7.835 -3.210 1.00 9.62 C ATOM 4 O MET A 1 9.250 -7.498 -3.834 1.00 9.62 O ATOM 5 CB MET A 1 12.019 -6.038 -3.382 1.00 13.77 C ATOM 6 CG MET A 1 12.627 -6.000 -1.942 1.00 16.29 C ATOM 7 SD MET A 1 12.890 -4.362 -1.177 1.00 17.17 S ATOM 8 CE MET A 1 11.333 -3.449 -1.188 1.00 16.11 C ATOM 0 H1 MET A 1 12.652 -7.712 -5.598 1.00 9.67 H new ATOM 0 H2 MET A 1 11.036 -8.232 -5.626 1.00 9.67 H new ATOM 0 H3 MET A 1 11.396 -6.573 -5.686 1.00 9.67 H new ATOM 0 HA MET A 1 12.343 -8.153 -3.388 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.742 -5.635 -4.092 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.140 -5.394 -3.422 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.974 -6.576 -1.286 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.587 -6.516 -1.969 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.482 -2.470 -0.733 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.992 -3.323 -2.216 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.583 -4.002 -0.622 1.00 16.11 H new ATOM 20 N GLN A 2 10.160 -8.533 -2.059 1.00 9.27 N ATOM 21 CA GLN A 2 8.897 -8.985 -1.579 1.00 9.07 C ATOM 22 C GLN A 2 8.394 -8.115 -0.496 1.00 8.72 C ATOM 23 O GLN A 2 9.168 -7.683 0.380 1.00 8.22 O ATOM 24 CB GLN A 2 8.999 -10.442 -1.058 1.00 14.46 C ATOM 25 CG GLN A 2 7.643 -11.095 -0.648 1.00 17.01 C ATOM 26 CD GLN A 2 7.884 -12.593 -0.259 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.251 -12.881 0.876 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.763 -13.546 -1.183 1.00 19.49 N ATOM 0 H GLN A 2 10.951 -8.781 -1.464 1.00 9.27 H new ATOM 0 HA GLN A 2 8.198 -8.947 -2.415 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.461 -11.056 -1.831 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.667 -10.457 -0.197 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.206 -10.555 0.192 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.932 -11.031 -1.472 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.458 -13.306 -2.126 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.975 -14.515 -0.947 1.00 19.49 H new ATOM 37 N ILE A 3 7.074 -7.724 -0.434 1.00 5.87 N ATOM 38 CA ILE A 3 6.582 -6.980 0.764 1.00 5.07 C ATOM 39 C ILE A 3 5.268 -7.714 1.131 1.00 4.01 C ATOM 40 O ILE A 3 4.623 -8.339 0.296 1.00 4.61 O ATOM 41 CB ILE A 3 6.397 -5.459 0.633 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.249 -5.016 -0.271 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.702 -4.919 0.121 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.249 -3.489 -0.606 1.00 10.83 C ATOM 0 H ILE A 3 6.376 -7.902 -1.156 1.00 5.87 H new ATOM 0 HA ILE A 3 7.346 -7.001 1.541 1.00 5.07 H new ATOM 0 HB ILE A 3 6.123 -5.067 1.612 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.296 -5.581 -1.202 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.304 -5.271 0.209 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.629 -3.837 0.008 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.497 -5.157 0.828 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.929 -5.370 -0.845 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.402 -3.258 -1.252 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.169 -2.914 0.317 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.176 -3.229 -1.117 1.00 10.83 H new ATOM 56 N PHE A 4 4.872 -7.458 2.386 1.00 4.55 N ATOM 57 CA PHE A 4 3.582 -7.924 2.949 1.00 4.68 C ATOM 58 C PHE A 4 2.611 -6.806 3.282 1.00 5.30 C ATOM 59 O PHE A 4 3.052 -5.767 3.750 1.00 5.58 O ATOM 60 CB PHE A 4 3.911 -8.806 4.159 1.00 4.83 C ATOM 61 CG PHE A 4 4.861 -9.998 3.969 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.424 -11.049 3.142 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.997 -10.114 4.756 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.215 -12.182 2.938 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.711 -11.333 4.625 1.00 10.61 C ATOM 66 CZ PHE A 4 6.380 -12.282 3.649 1.00 8.90 C ATOM 0 H PHE A 4 5.434 -6.921 3.047 1.00 4.55 H new ATOM 0 HA PHE A 4 3.046 -8.497 2.192 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.337 -8.164 4.929 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.970 -9.193 4.551 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.462 -10.979 2.657 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.317 -9.328 5.424 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.917 -12.953 2.243 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.533 -11.535 5.296 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.053 -13.104 3.455 1.00 8.90 H new ATOM 76 N VAL A 5 1.339 -6.989 2.933 1.00 4.44 N ATOM 77 CA VAL A 5 0.287 -6.026 3.265 1.00 3.87 C ATOM 78 C VAL A 5 -0.753 -6.739 4.101 1.00 4.93 C ATOM 79 O VAL A 5 -1.180 -7.797 3.699 1.00 6.84 O ATOM 80 CB VAL A 5 -0.368 -5.427 2.054 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.518 -4.421 2.333 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.727 -4.637 1.248 1.00 9.13 C ATOM 0 H VAL A 5 1.008 -7.803 2.415 1.00 4.44 H new ATOM 0 HA VAL A 5 0.746 -5.200 3.809 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.808 -6.270 1.522 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.916 -4.053 1.388 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.310 -4.920 2.891 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.135 -3.584 2.916 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.276 -4.191 0.362 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.145 -3.851 1.877 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.521 -5.321 0.946 1.00 9.13 H new ATOM 92 N LYS A 6 -1.151 -6.242 5.252 1.00 6.04 N ATOM 93 CA LYS A 6 -2.252 -6.769 6.045 1.00 6.12 C ATOM 94 C LYS A 6 -3.434 -5.827 5.909 1.00 6.57 C ATOM 95 O LYS A 6 -3.414 -4.698 6.417 1.00 5.76 O ATOM 96 CB LYS A 6 -1.892 -6.847 7.505 1.00 7.45 C ATOM 97 CG LYS A 6 -0.645 -7.752 7.863 1.00 11.12 C ATOM 98 CD LYS A 6 -0.726 -8.250 9.272 1.00 14.54 C ATOM 99 CE LYS A 6 0.330 -9.190 9.780 1.00 18.84 C ATOM 100 NZ LYS A 6 0.569 -10.345 8.881 1.00 20.55 N ATOM 0 H LYS A 6 -0.704 -5.431 5.681 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.485 -7.771 5.684 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.699 -5.837 7.866 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.757 -7.221 8.053 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.597 -8.598 7.177 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.273 -7.180 7.728 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.733 -7.379 9.928 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.690 -8.745 9.390 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.263 -8.641 9.911 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.036 -9.558 10.763 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.840 -11.175 9.446 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.299 -10.557 8.350 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.334 -10.115 8.216 1.00 20.55 H new ATOM 114 N THR A 7 -4.451 -6.259 5.156 1.00 7.41 N ATOM 115 CA THR A 7 -5.656 -5.466 4.886 1.00 7.48 C ATOM 116 C THR A 7 -6.368 -4.992 6.130 1.00 8.75 C ATOM 117 O THR A 7 -6.030 -5.245 7.324 1.00 8.58 O ATOM 118 CB THR A 7 -6.705 -6.209 4.038 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.335 -7.221 4.786 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.073 -6.764 2.741 1.00 9.17 C ATOM 0 H THR A 7 -4.461 -7.177 4.712 1.00 7.41 H new ATOM 0 HA THR A 7 -5.257 -4.614 4.336 1.00 7.48 H new ATOM 0 HB THR A 7 -7.475 -5.495 3.746 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.915 -7.749 4.199 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.834 -7.284 2.159 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.667 -5.941 2.153 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.272 -7.459 2.995 1.00 9.17 H new ATOM 128 N LEU A 8 -7.462 -4.276 5.893 1.00 9.84 N ATOM 129 CA LEU A 8 -8.367 -3.793 6.954 1.00 14.15 C ATOM 130 C LEU A 8 -8.974 -4.937 7.834 1.00 17.37 C ATOM 131 O LEU A 8 -8.911 -4.846 9.064 1.00 17.01 O ATOM 132 CB LEU A 8 -9.554 -2.948 6.355 1.00 16.63 C ATOM 133 CG LEU A 8 -10.397 -2.060 7.300 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.584 -1.079 8.129 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.539 -1.431 6.607 1.00 18.59 C ATOM 0 H LEU A 8 -7.756 -4.007 4.954 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.739 -3.172 7.593 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.140 -2.303 5.580 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.235 -3.642 5.862 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.819 -2.744 8.036 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.253 -0.497 8.763 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.878 -1.627 8.753 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.037 -0.408 7.466 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.100 -0.818 7.312 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.171 -0.805 5.794 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.190 -2.206 6.202 1.00 18.59 H new ATOM 147 N THR A 9 -9.453 -6.011 7.193 1.00 18.33 N ATOM 148 CA THR A 9 -9.949 -7.264 7.763 1.00 19.24 C ATOM 149 C THR A 9 -8.822 -8.169 8.233 1.00 19.48 C ATOM 150 O THR A 9 -9.078 -9.202 8.879 1.00 23.14 O ATOM 151 CB THR A 9 -10.874 -8.135 6.822 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.097 -8.643 5.733 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.906 -7.165 6.161 1.00 19.70 C ATOM 0 H THR A 9 -9.507 -6.023 6.174 1.00 18.33 H new ATOM 0 HA THR A 9 -10.558 -6.907 8.594 1.00 19.24 H new ATOM 0 HB THR A 9 -11.333 -8.937 7.400 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.324 -8.060 5.583 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.565 -7.729 5.502 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.498 -6.680 6.937 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.376 -6.408 5.583 1.00 19.70 H new ATOM 161 N GLY A 10 -7.616 -7.892 7.808 1.00 19.43 N ATOM 162 CA GLY A 10 -6.390 -8.394 8.320 1.00 18.74 C ATOM 163 C GLY A 10 -5.783 -9.572 7.570 1.00 17.62 C ATOM 164 O GLY A 10 -4.963 -10.391 7.981 1.00 19.74 O ATOM 0 H GLY A 10 -7.467 -7.253 7.027 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.663 -7.582 8.328 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.547 -8.692 9.357 1.00 18.74 H new ATOM 168 N LYS A 11 -6.208 -9.733 6.299 1.00 13.56 N ATOM 169 CA LYS A 11 -5.630 -10.766 5.467 1.00 11.91 C ATOM 170 C LYS A 11 -4.197 -10.311 5.044 1.00 10.18 C ATOM 171 O LYS A 11 -3.973 -9.208 4.580 1.00 9.10 O ATOM 172 CB LYS A 11 -6.409 -10.849 4.128 1.00 13.43 C ATOM 173 CG LYS A 11 -5.973 -11.982 3.233 1.00 16.69 C ATOM 174 CD LYS A 11 -6.930 -12.019 2.020 1.00 17.92 C ATOM 175 CE LYS A 11 -6.539 -13.122 1.021 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.654 -13.232 -0.024 1.00 21.93 N ATOM 0 H LYS A 11 -6.931 -9.169 5.851 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.646 -11.706 6.019 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.472 -10.959 4.344 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.289 -9.908 3.591 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.944 -11.835 2.904 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.003 -12.929 3.773 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.950 -12.186 2.366 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.918 -11.052 1.517 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.590 -12.883 0.542 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.405 -14.073 1.537 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.368 -13.900 -0.768 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.524 -13.574 0.432 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.828 -12.297 -0.446 1.00 21.93 H new ATOM 190 N THR A 12 -3.204 -11.197 5.167 1.00 9.63 N ATOM 191 CA THR A 12 -1.839 -10.967 4.744 1.00 9.85 C ATOM 192 C THR A 12 -1.702 -11.357 3.281 1.00 11.66 C ATOM 193 O THR A 12 -1.907 -12.487 2.944 1.00 12.33 O ATOM 194 CB THR A 12 -0.837 -11.723 5.617 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.095 -11.710 7.050 1.00 10.91 O ATOM 196 CG2 THR A 12 0.527 -11.176 5.288 1.00 9.63 C ATOM 0 H THR A 12 -3.343 -12.120 5.578 1.00 9.63 H new ATOM 0 HA THR A 12 -1.609 -9.908 4.859 1.00 9.85 H new ATOM 0 HB THR A 12 -0.927 -12.783 5.379 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.498 -12.347 7.496 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.279 -11.687 5.889 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.738 -11.336 4.231 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.553 -10.108 5.506 1.00 9.63 H new ATOM 204 N ILE A 13 -1.343 -10.381 2.461 1.00 10.42 N ATOM 205 CA ILE A 13 -1.194 -10.376 1.052 1.00 11.84 C ATOM 206 C ILE A 13 0.261 -10.183 0.726 1.00 10.55 C ATOM 207 O ILE A 13 0.950 -9.300 1.209 1.00 11.92 O ATOM 208 CB ILE A 13 -1.968 -9.246 0.349 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.431 -9.359 0.688 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.866 -9.511 -1.182 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.364 -8.310 0.038 1.00 16.46 C ATOM 0 H ILE A 13 -1.125 -9.460 2.842 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.592 -11.326 0.697 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.569 -8.277 0.647 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.775 -10.351 0.396 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.539 -9.290 1.770 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.403 -8.731 -1.723 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.818 -9.506 -1.483 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.305 -10.481 -1.413 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.391 -8.491 0.354 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.059 -7.310 0.348 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.300 -8.389 -1.047 1.00 16.46 H new ATOM 223 N THR A 14 0.827 -11.060 -0.115 1.00 9.39 N ATOM 224 CA THR A 14 2.221 -10.958 -0.568 1.00 9.63 C ATOM 225 C THR A 14 2.342 -10.292 -1.925 1.00 11.20 C ATOM 226 O THR A 14 1.620 -10.672 -2.877 1.00 11.63 O ATOM 227 CB THR A 14 2.934 -12.341 -0.790 1.00 10.38 C ATOM 228 OG1 THR A 14 2.832 -13.017 0.469 1.00 16.30 O ATOM 229 CG2 THR A 14 4.442 -12.175 -1.059 1.00 11.66 C ATOM 0 H THR A 14 0.329 -11.862 -0.501 1.00 9.39 H new ATOM 0 HA THR A 14 2.682 -10.391 0.241 1.00 9.63 H new ATOM 0 HB THR A 14 2.480 -12.857 -1.636 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.357 -12.535 1.142 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.895 -13.155 -1.207 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.588 -11.569 -1.954 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.911 -11.683 -0.207 1.00 11.66 H new ATOM 237 N LEU A 15 3.161 -9.236 -1.952 1.00 8.29 N ATOM 238 CA LEU A 15 3.405 -8.500 -3.203 1.00 9.03 C ATOM 239 C LEU A 15 4.842 -8.618 -3.756 1.00 8.59 C ATOM 240 O LEU A 15 5.777 -8.807 -2.958 1.00 7.79 O ATOM 241 CB LEU A 15 3.088 -7.003 -3.061 1.00 11.08 C ATOM 242 CG LEU A 15 1.632 -6.659 -2.718 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.517 -5.255 -2.283 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.676 -7.149 -3.764 1.00 15.27 C ATOM 0 H LEU A 15 3.660 -8.874 -1.139 1.00 8.29 H new ATOM 0 HA LEU A 15 2.729 -8.981 -3.910 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.732 -6.586 -2.287 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.349 -6.505 -3.995 1.00 11.08 H new ATOM 0 HG LEU A 15 1.306 -7.220 -1.842 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.477 -5.032 -2.045 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.134 -5.096 -1.399 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.855 -4.597 -3.084 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.342 -6.883 -3.479 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.917 -6.688 -4.722 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.757 -8.232 -3.852 1.00 15.27 H new ATOM 256 N GLU A 16 5.023 -8.528 -5.060 1.00 11.04 N ATOM 257 CA GLU A 16 6.358 -8.530 -5.734 1.00 11.50 C ATOM 258 C GLU A 16 6.583 -7.172 -6.387 1.00 10.13 C ATOM 259 O GLU A 16 5.864 -6.694 -7.266 1.00 9.83 O ATOM 260 CB GLU A 16 6.507 -9.643 -6.786 1.00 17.22 C ATOM 261 CG GLU A 16 7.817 -9.685 -7.570 1.00 23.33 C ATOM 262 CD GLU A 16 9.073 -9.949 -6.692 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.129 -10.974 -5.971 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.071 -9.222 -6.843 1.00 28.86 O ATOM 0 H GLU A 16 4.246 -8.449 -5.716 1.00 11.04 H new ATOM 0 HA GLU A 16 7.108 -8.726 -4.968 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.382 -10.602 -6.284 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.688 -9.547 -7.499 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.748 -10.463 -8.330 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.945 -8.738 -8.094 1.00 23.33 H new ATOM 271 N VAL A 17 7.631 -6.481 -5.876 1.00 8.99 N ATOM 272 CA VAL A 17 7.847 -5.021 -6.135 1.00 8.85 C ATOM 273 C VAL A 17 9.334 -4.681 -6.393 1.00 8.04 C ATOM 274 O VAL A 17 10.213 -5.584 -6.474 1.00 8.99 O ATOM 275 CB VAL A 17 7.359 -4.049 -5.097 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.817 -3.984 -4.977 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.882 -4.431 -3.681 1.00 10.54 C ATOM 0 H VAL A 17 8.344 -6.904 -5.282 1.00 8.99 H new ATOM 0 HA VAL A 17 7.223 -4.884 -7.018 1.00 8.85 H new ATOM 0 HB VAL A 17 7.740 -3.085 -5.433 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.542 -3.262 -4.208 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.390 -3.678 -5.932 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.431 -4.967 -4.706 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.513 -3.711 -2.951 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.527 -5.428 -3.419 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.972 -4.422 -3.681 1.00 10.54 H new ATOM 287 N GLU A 18 9.694 -3.386 -6.479 1.00 7.29 N ATOM 288 CA GLU A 18 11.049 -2.925 -6.346 1.00 7.08 C ATOM 289 C GLU A 18 11.165 -1.618 -5.606 1.00 6.45 C ATOM 290 O GLU A 18 10.119 -0.949 -5.463 1.00 5.28 O ATOM 291 CB GLU A 18 11.633 -2.797 -7.813 1.00 10.28 C ATOM 292 CG GLU A 18 10.956 -1.655 -8.654 1.00 12.65 C ATOM 293 CD GLU A 18 11.501 -1.573 -10.053 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.289 -2.529 -10.867 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.173 -0.520 -10.371 1.00 18.17 O ATOM 0 H GLU A 18 9.024 -2.635 -6.646 1.00 7.29 H new ATOM 0 HA GLU A 18 11.614 -3.639 -5.746 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.705 -2.609 -7.755 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.504 -3.747 -8.332 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.880 -1.827 -8.696 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.107 -0.699 -8.152 1.00 12.65 H new ATOM 302 N PRO A 19 12.315 -1.193 -5.086 1.00 7.24 N ATOM 303 CA PRO A 19 12.414 0.116 -4.374 1.00 7.07 C ATOM 304 C PRO A 19 11.978 1.341 -5.152 1.00 6.65 C ATOM 305 O PRO A 19 11.395 2.289 -4.614 1.00 6.37 O ATOM 306 CB PRO A 19 13.891 0.191 -4.075 1.00 7.61 C ATOM 307 CG PRO A 19 14.318 -1.179 -3.803 1.00 8.16 C ATOM 308 CD PRO A 19 13.545 -1.969 -4.869 1.00 7.49 C ATOM 0 HA PRO A 19 11.739 0.136 -3.518 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.439 0.610 -4.919 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.083 0.837 -3.218 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.396 -1.299 -3.908 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.059 -1.495 -2.792 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.122 -2.063 -5.789 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.321 -2.980 -4.529 1.00 7.49 H new ATOM 316 N SER A 20 12.203 1.350 -6.456 1.00 6.80 N ATOM 317 CA SER A 20 12.005 2.425 -7.433 1.00 6.28 C ATOM 318 C SER A 20 10.642 2.475 -8.103 1.00 8.45 C ATOM 319 O SER A 20 10.499 2.783 -9.278 1.00 7.26 O ATOM 320 CB SER A 20 13.068 2.495 -8.503 1.00 8.57 C ATOM 321 OG SER A 20 14.403 2.601 -7.926 1.00 11.13 O ATOM 0 H SER A 20 12.569 0.515 -6.912 1.00 6.80 H new ATOM 0 HA SER A 20 12.082 3.299 -6.787 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.012 1.606 -9.131 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.880 3.354 -9.148 1.00 8.57 H new ATOM 0 HG SER A 20 15.068 2.643 -8.645 1.00 11.13 H new ATOM 327 N ASP A 21 9.581 2.285 -7.324 1.00 7.50 N ATOM 328 CA ASP A 21 8.216 2.254 -7.817 1.00 7.70 C ATOM 329 C ASP A 21 7.409 2.915 -6.743 1.00 7.08 C ATOM 330 O ASP A 21 7.853 3.043 -5.576 1.00 8.11 O ATOM 331 CB ASP A 21 7.809 0.765 -8.107 1.00 11.00 C ATOM 332 CG ASP A 21 6.606 0.637 -9.020 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.272 1.703 -9.561 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.176 -0.529 -9.241 1.00 14.36 O ATOM 0 H ASP A 21 9.652 2.146 -6.316 1.00 7.50 H new ATOM 0 HA ASP A 21 8.062 2.779 -8.760 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.655 0.246 -8.558 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.594 0.264 -7.163 1.00 11.00 H new ATOM 339 N THR A 22 6.241 3.417 -7.099 1.00 5.37 N ATOM 340 CA THR A 22 5.461 4.270 -6.321 1.00 6.01 C ATOM 341 C THR A 22 4.332 3.620 -5.592 1.00 8.01 C ATOM 342 O THR A 22 3.972 2.458 -5.882 1.00 8.11 O ATOM 343 CB THR A 22 5.003 5.476 -7.168 1.00 8.92 C ATOM 344 OG1 THR A 22 4.197 5.047 -8.252 1.00 10.22 O ATOM 345 CG2 THR A 22 6.283 6.164 -7.700 1.00 9.65 C ATOM 0 H THR A 22 5.814 3.207 -8.001 1.00 5.37 H new ATOM 0 HA THR A 22 6.105 4.617 -5.513 1.00 6.01 H new ATOM 0 HB THR A 22 4.407 6.163 -6.567 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.914 5.825 -8.777 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.007 7.026 -8.307 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.895 6.493 -6.860 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.849 5.458 -8.308 1.00 9.65 H new ATOM 353 N ILE A 23 3.776 4.273 -4.528 1.00 8.32 N ATOM 354 CA ILE A 23 2.697 3.845 -3.659 1.00 9.92 C ATOM 355 C ILE A 23 1.449 3.549 -4.517 1.00 10.01 C ATOM 356 O ILE A 23 0.730 2.545 -4.309 1.00 8.71 O ATOM 357 CB ILE A 23 2.415 4.705 -2.538 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.669 4.848 -1.671 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.146 4.161 -1.773 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.347 3.563 -1.093 1.00 12.30 C ATOM 0 H ILE A 23 4.121 5.193 -4.254 1.00 8.32 H new ATOM 0 HA ILE A 23 3.036 2.933 -3.168 1.00 9.92 H new ATOM 0 HB ILE A 23 2.164 5.715 -2.863 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.417 5.377 -2.261 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.414 5.492 -0.829 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.928 4.808 -0.923 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.291 4.149 -2.449 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.341 3.149 -1.418 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.220 3.846 -0.504 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.638 3.032 -0.458 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.657 2.915 -1.913 1.00 12.30 H new ATOM 372 N GLU A 24 1.137 4.491 -5.376 1.00 9.54 N ATOM 373 CA GLU A 24 0.048 4.441 -6.386 1.00 11.81 C ATOM 374 C GLU A 24 0.062 3.166 -7.362 1.00 11.14 C ATOM 375 O GLU A 24 -0.965 2.615 -7.733 1.00 10.62 O ATOM 376 CB GLU A 24 0.010 5.727 -7.197 1.00 19.24 C ATOM 377 CG GLU A 24 -1.194 5.973 -8.043 1.00 27.76 C ATOM 378 CD GLU A 24 -1.026 7.194 -8.947 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.134 7.766 -8.989 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.980 7.643 -9.591 1.00 36.51 O ATOM 0 H GLU A 24 1.651 5.371 -5.410 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.864 4.333 -5.799 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.112 6.564 -6.506 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.886 5.741 -7.846 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.391 5.094 -8.656 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.064 6.115 -7.401 1.00 27.76 H new ATOM 387 N ASN A 25 1.256 2.764 -7.770 1.00 9.43 N ATOM 388 CA ASN A 25 1.355 1.509 -8.493 1.00 10.96 C ATOM 389 C ASN A 25 1.062 0.307 -7.599 1.00 9.68 C ATOM 390 O ASN A 25 0.408 -0.646 -8.017 1.00 9.33 O ATOM 391 CB ASN A 25 2.701 1.442 -9.200 1.00 16.78 C ATOM 392 CG ASN A 25 2.724 2.336 -10.418 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.709 2.657 -11.068 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.941 2.905 -10.669 1.00 24.70 N ATOM 0 H ASN A 25 2.133 3.263 -7.621 1.00 9.43 H new ATOM 0 HA ASN A 25 0.582 1.468 -9.260 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.492 1.741 -8.512 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.908 0.414 -9.496 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.034 3.609 -11.401 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.757 2.626 -10.124 1.00 24.70 H new ATOM 401 N VAL A 26 1.534 0.292 -6.330 1.00 6.52 N ATOM 402 CA VAL A 26 1.324 -0.761 -5.299 1.00 5.53 C ATOM 403 C VAL A 26 -0.110 -0.893 -4.875 1.00 4.42 C ATOM 404 O VAL A 26 -0.723 -1.909 -4.721 1.00 3.40 O ATOM 405 CB VAL A 26 2.315 -0.590 -4.129 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.108 -1.687 -3.019 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.764 -0.883 -4.601 1.00 8.12 C ATOM 0 H VAL A 26 2.106 1.058 -5.974 1.00 6.52 H new ATOM 0 HA VAL A 26 1.550 -1.723 -5.758 1.00 5.53 H new ATOM 0 HB VAL A 26 2.152 0.424 -3.765 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.826 -1.530 -2.214 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.096 -1.616 -2.621 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.259 -2.676 -3.452 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.451 -0.758 -3.764 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.826 -1.906 -4.972 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.034 -0.191 -5.399 1.00 8.12 H new ATOM 417 N LYS A 27 -0.908 0.246 -4.890 1.00 2.64 N ATOM 418 CA LYS A 27 -2.355 0.276 -4.945 1.00 4.14 C ATOM 419 C LYS A 27 -3.053 -0.407 -6.145 1.00 5.58 C ATOM 420 O LYS A 27 -4.038 -1.137 -5.944 1.00 4.11 O ATOM 421 CB LYS A 27 -2.915 1.662 -4.635 1.00 3.97 C ATOM 422 CG LYS A 27 -2.513 2.056 -3.205 1.00 7.45 C ATOM 423 CD LYS A 27 -3.241 3.300 -2.631 1.00 9.02 C ATOM 424 CE LYS A 27 -2.750 4.609 -3.188 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.612 5.740 -2.814 1.00 15.47 N ATOM 0 H LYS A 27 -0.504 1.182 -4.862 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.629 -0.400 -4.135 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.531 2.391 -5.348 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.001 1.660 -4.734 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.701 1.209 -2.546 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.439 2.243 -3.185 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.308 3.209 -2.833 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.121 3.310 -1.548 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.737 4.795 -2.831 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.697 4.541 -4.275 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.290 6.599 -3.304 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.594 5.533 -3.087 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.563 5.889 -1.786 1.00 15.47 H new ATOM 439 N ALA A 28 -2.595 -0.296 -7.400 1.00 6.61 N ATOM 440 CA ALA A 28 -2.985 -1.283 -8.494 1.00 7.74 C ATOM 441 C ALA A 28 -2.694 -2.690 -8.156 1.00 9.17 C ATOM 442 O ALA A 28 -3.490 -3.552 -8.472 1.00 11.45 O ATOM 443 CB ALA A 28 -2.326 -0.942 -9.779 1.00 7.68 C ATOM 0 H ALA A 28 -1.964 0.443 -7.709 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.067 -1.192 -8.591 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.622 -1.662 -10.542 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.628 0.059 -10.088 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.244 -0.972 -9.652 1.00 7.68 H new ATOM 449 N LYS A 29 -1.516 -3.040 -7.575 1.00 8.96 N ATOM 450 CA LYS A 29 -1.287 -4.440 -7.185 1.00 7.90 C ATOM 451 C LYS A 29 -2.309 -5.001 -6.143 1.00 6.92 C ATOM 452 O LYS A 29 -2.717 -6.159 -6.277 1.00 6.87 O ATOM 453 CB LYS A 29 0.161 -4.725 -6.735 1.00 10.28 C ATOM 454 CG LYS A 29 1.116 -4.287 -7.851 1.00 14.94 C ATOM 455 CD LYS A 29 2.539 -4.508 -7.370 1.00 19.69 C ATOM 456 CE LYS A 29 3.470 -4.540 -8.566 1.00 22.63 C ATOM 457 NZ LYS A 29 3.285 -3.309 -9.335 1.00 24.98 N ATOM 0 H LYS A 29 -0.748 -2.399 -7.377 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.460 -4.986 -8.112 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.384 -4.187 -5.814 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.289 -5.786 -6.523 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.928 -4.860 -8.759 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.957 -3.237 -8.098 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.833 -3.711 -6.687 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.607 -5.444 -6.816 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.505 -4.628 -8.237 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.258 -5.410 -9.188 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.130 -3.131 -9.914 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.456 -3.408 -9.955 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.137 -2.512 -8.684 1.00 24.98 H new ATOM 471 N ILE A 30 -2.703 -4.220 -5.117 1.00 4.57 N ATOM 472 CA ILE A 30 -3.830 -4.555 -4.268 1.00 5.58 C ATOM 473 C ILE A 30 -5.186 -4.656 -4.966 1.00 7.26 C ATOM 474 O ILE A 30 -6.008 -5.572 -4.674 1.00 9.46 O ATOM 475 CB ILE A 30 -3.967 -3.677 -3.064 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.687 -3.677 -2.200 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.309 -3.782 -2.239 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.557 -4.871 -1.272 1.00 2.00 C ATOM 0 H ILE A 30 -2.241 -3.346 -4.866 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.560 -5.562 -3.950 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.075 -2.679 -3.488 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.819 -3.648 -2.858 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.666 -2.765 -1.604 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.273 -3.092 -1.396 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.152 -3.526 -2.881 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.430 -4.800 -1.870 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.631 -4.791 -0.703 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.403 -4.892 -0.586 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.543 -5.789 -1.860 1.00 2.00 H new ATOM 490 N GLN A 31 -5.476 -3.823 -5.963 1.00 7.06 N ATOM 491 CA GLN A 31 -6.557 -3.973 -6.875 1.00 8.67 C ATOM 492 C GLN A 31 -6.533 -5.253 -7.746 1.00 10.90 C ATOM 493 O GLN A 31 -7.528 -5.977 -7.970 1.00 9.63 O ATOM 494 CB GLN A 31 -6.505 -2.829 -7.858 1.00 9.12 C ATOM 495 CG GLN A 31 -7.856 -2.668 -8.564 1.00 10.76 C ATOM 496 CD GLN A 31 -7.770 -1.854 -9.865 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.696 -1.699 -10.428 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.951 -1.480 -10.383 1.00 14.76 N ATOM 0 H GLN A 31 -4.921 -2.988 -6.148 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.446 -4.013 -6.246 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.247 -1.906 -7.338 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.722 -3.010 -8.595 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.261 -3.655 -8.787 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.557 -2.182 -7.885 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.811 -1.639 -9.859 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.988 -1.037 -11.301 1.00 14.76 H new ATOM 507 N ASP A 32 -5.313 -5.689 -8.220 1.00 10.93 N ATOM 508 CA ASP A 32 -5.149 -6.903 -8.931 1.00 14.01 C ATOM 509 C ASP A 32 -5.438 -8.072 -8.007 1.00 14.04 C ATOM 510 O ASP A 32 -6.143 -9.028 -8.370 1.00 13.39 O ATOM 511 CB ASP A 32 -3.653 -6.880 -9.369 1.00 18.01 C ATOM 512 CG ASP A 32 -3.402 -7.977 -10.405 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.238 -8.237 -11.334 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.344 -8.652 -10.278 1.00 26.29 O ATOM 0 H ASP A 32 -4.445 -5.168 -8.092 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.820 -7.007 -9.783 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.402 -5.906 -9.789 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.008 -7.030 -8.503 1.00 18.01 H new ATOM 519 N LYS A 33 -4.940 -8.042 -6.780 1.00 14.22 N ATOM 520 CA LYS A 33 -5.140 -9.122 -5.776 1.00 14.00 C ATOM 521 C LYS A 33 -6.518 -9.284 -5.266 1.00 12.37 C ATOM 522 O LYS A 33 -6.946 -10.420 -4.921 1.00 12.17 O ATOM 523 CB LYS A 33 -4.203 -8.953 -4.478 1.00 18.62 C ATOM 524 CG LYS A 33 -2.680 -9.110 -4.765 1.00 24.00 C ATOM 525 CD LYS A 33 -2.196 -10.593 -4.827 1.00 27.61 C ATOM 526 CE LYS A 33 -0.826 -10.678 -5.481 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.613 -11.981 -6.117 1.00 30.06 N ATOM 0 H LYS A 33 -4.377 -7.266 -6.432 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.876 -10.004 -6.359 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.380 -7.970 -4.042 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.499 -9.691 -3.732 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.447 -8.622 -5.712 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.119 -8.587 -3.990 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.152 -11.010 -3.821 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.912 -11.192 -5.389 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.728 -9.888 -6.226 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.053 -10.507 -4.732 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.331 -12.004 -6.553 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.682 -12.732 -5.401 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.336 -12.132 -6.849 1.00 30.06 H new ATOM 541 N GLU A 34 -7.271 -8.196 -4.996 1.00 10.11 N ATOM 542 CA GLU A 34 -8.392 -8.278 -4.120 1.00 10.07 C ATOM 543 C GLU A 34 -9.660 -7.564 -4.757 1.00 9.32 C ATOM 544 O GLU A 34 -10.790 -7.765 -4.352 1.00 11.61 O ATOM 545 CB GLU A 34 -8.095 -7.620 -2.756 1.00 14.77 C ATOM 546 CG GLU A 34 -7.209 -8.471 -1.833 1.00 18.75 C ATOM 547 CD GLU A 34 -8.075 -9.548 -1.146 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.126 -9.245 -0.497 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.692 -10.760 -1.220 1.00 25.19 O ATOM 0 H GLU A 34 -7.100 -7.268 -5.384 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.597 -9.338 -3.970 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.609 -6.659 -2.925 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.038 -7.415 -2.250 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.411 -8.942 -2.408 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.732 -7.839 -1.084 1.00 18.75 H new ATOM 556 N GLY A 35 -9.410 -6.770 -5.861 1.00 7.22 N ATOM 557 CA GLY A 35 -10.454 -6.049 -6.585 1.00 6.29 C ATOM 558 C GLY A 35 -10.978 -4.684 -6.088 1.00 6.93 C ATOM 559 O GLY A 35 -11.860 -4.016 -6.657 1.00 7.41 O ATOM 0 H GLY A 35 -8.476 -6.632 -6.247 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.090 -5.899 -7.601 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.314 -6.715 -6.650 1.00 6.29 H new ATOM 563 N ILE A 36 -10.292 -4.171 -5.041 1.00 5.86 N ATOM 564 CA ILE A 36 -10.545 -2.876 -4.365 1.00 6.07 C ATOM 565 C ILE A 36 -9.993 -1.722 -5.173 1.00 6.36 C ATOM 566 O ILE A 36 -8.804 -1.720 -5.528 1.00 6.18 O ATOM 567 CB ILE A 36 -9.803 -2.823 -2.999 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.982 -4.116 -2.165 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.353 -1.576 -2.181 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.396 -4.043 -0.739 1.00 9.49 C ATOM 0 H ILE A 36 -9.508 -4.673 -4.624 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.625 -2.794 -4.246 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.736 -2.727 -3.198 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.046 -4.345 -2.096 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.512 -4.944 -2.696 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.845 -1.520 -1.218 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.167 -0.661 -2.743 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.425 -1.691 -2.020 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.566 -4.990 -0.227 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.325 -3.848 -0.795 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.883 -3.239 -0.186 1.00 9.49 H new ATOM 582 N PRO A 37 -10.777 -0.687 -5.517 1.00 8.65 N ATOM 583 CA PRO A 37 -10.236 0.371 -6.404 1.00 9.18 C ATOM 584 C PRO A 37 -9.245 1.321 -5.673 1.00 9.85 C ATOM 585 O PRO A 37 -9.409 1.583 -4.466 1.00 8.51 O ATOM 586 CB PRO A 37 -11.510 1.114 -6.868 1.00 11.42 C ATOM 587 CG PRO A 37 -12.580 0.855 -5.737 1.00 9.27 C ATOM 588 CD PRO A 37 -12.231 -0.573 -5.321 1.00 8.33 C ATOM 0 HA PRO A 37 -9.646 -0.033 -7.226 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.320 2.180 -6.993 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.856 0.737 -7.830 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.484 1.559 -4.911 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.601 0.937 -6.110 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.504 -0.758 -4.282 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.769 -1.302 -5.927 1.00 8.33 H new ATOM 596 N PRO A 38 -8.143 1.714 -6.388 1.00 8.71 N ATOM 597 CA PRO A 38 -6.997 2.305 -5.716 1.00 9.08 C ATOM 598 C PRO A 38 -7.210 3.707 -5.244 1.00 9.28 C ATOM 599 O PRO A 38 -6.540 4.083 -4.276 1.00 6.50 O ATOM 600 CB PRO A 38 -5.908 2.285 -6.746 1.00 10.31 C ATOM 601 CG PRO A 38 -6.638 2.082 -8.091 1.00 10.81 C ATOM 602 CD PRO A 38 -7.813 1.192 -7.709 1.00 12.00 C ATOM 0 HA PRO A 38 -6.775 1.741 -4.810 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.342 3.216 -6.740 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.199 1.479 -6.556 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.970 3.029 -8.517 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.995 1.607 -8.832 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.644 1.285 -8.408 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.538 0.138 -7.678 1.00 12.00 H new ATOM 610 N ASP A 39 -8.088 4.516 -5.788 1.00 11.20 N ATOM 611 CA ASP A 39 -8.408 5.843 -5.280 1.00 14.96 C ATOM 612 C ASP A 39 -8.983 5.757 -3.872 1.00 13.99 C ATOM 613 O ASP A 39 -8.866 6.651 -3.076 1.00 13.75 O ATOM 614 CB ASP A 39 -9.397 6.607 -6.195 1.00 24.16 C ATOM 615 CG ASP A 39 -8.771 6.924 -7.523 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.657 7.467 -7.638 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.414 6.633 -8.520 1.00 35.55 O ATOM 0 H ASP A 39 -8.620 4.268 -6.622 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.472 6.401 -5.262 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.294 6.007 -6.347 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.709 7.530 -5.707 1.00 24.16 H new ATOM 622 N GLN A 40 -9.625 4.655 -3.452 1.00 11.60 N ATOM 623 CA GLN A 40 -10.193 4.564 -2.159 1.00 10.76 C ATOM 624 C GLN A 40 -9.268 3.854 -1.092 1.00 8.01 C ATOM 625 O GLN A 40 -9.589 3.788 0.106 1.00 8.96 O ATOM 626 CB GLN A 40 -11.428 3.591 -2.267 1.00 11.14 C ATOM 627 CG GLN A 40 -12.664 4.043 -3.059 1.00 14.85 C ATOM 628 CD GLN A 40 -13.800 3.031 -3.026 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.659 1.910 -2.535 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.882 3.520 -3.657 1.00 18.16 N ATOM 0 H GLN A 40 -9.748 3.819 -4.023 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.400 5.587 -1.845 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.076 2.660 -2.710 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.754 3.358 -1.253 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.019 4.991 -2.656 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.377 4.224 -4.095 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.873 4.473 -4.021 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.712 2.938 -3.771 1.00 18.16 H new ATOM 639 N GLN A 41 -8.101 3.351 -1.507 1.00 6.52 N ATOM 640 CA GLN A 41 -7.221 2.696 -0.551 1.00 3.87 C ATOM 641 C GLN A 41 -6.254 3.687 0.073 1.00 4.79 C ATOM 642 O GLN A 41 -5.719 4.563 -0.647 1.00 6.34 O ATOM 643 CB GLN A 41 -6.294 1.719 -1.287 1.00 4.20 C ATOM 644 CG GLN A 41 -6.994 0.621 -2.152 1.00 3.20 C ATOM 645 CD GLN A 41 -5.995 -0.129 -3.060 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.806 -0.317 -2.706 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.379 -0.587 -4.256 1.00 7.13 N ATOM 0 H GLN A 41 -7.757 3.385 -2.467 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.868 2.222 0.187 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.633 2.296 -1.935 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.664 1.223 -0.549 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.493 -0.092 -1.496 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.766 1.083 -2.767 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.339 -0.449 -4.571 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.712 -1.074 -4.854 1.00 7.13 H new ATOM 656 N ARG A 42 -6.037 3.627 1.401 1.00 5.73 N ATOM 657 CA ARG A 42 -4.943 4.367 1.989 1.00 6.97 C ATOM 658 C ARG A 42 -4.040 3.420 2.814 1.00 7.15 C ATOM 659 O ARG A 42 -4.408 2.878 3.872 1.00 7.33 O ATOM 660 CB ARG A 42 -5.465 5.446 3.004 1.00 13.23 C ATOM 661 CG ARG A 42 -6.205 6.555 2.193 1.00 21.27 C ATOM 662 CD ARG A 42 -6.871 7.494 3.209 1.00 26.14 C ATOM 663 NE ARG A 42 -7.083 8.761 2.504 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.735 9.810 2.988 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.397 9.702 4.133 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.730 10.943 2.262 1.00 36.39 N ATOM 0 H ARG A 42 -6.597 3.084 2.058 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.404 4.833 1.164 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.139 4.991 3.730 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.634 5.875 3.565 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.504 7.104 1.564 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.950 6.114 1.531 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.816 7.081 3.562 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.237 7.635 4.085 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.697 8.843 1.563 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.403 8.815 4.637 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.900 10.506 4.509 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.235 10.975 1.371 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.221 11.769 2.603 1.00 36.39 H new ATOM 680 N LEU A 43 -2.816 3.285 2.338 1.00 4.65 N ATOM 681 CA LEU A 43 -1.873 2.436 3.061 1.00 3.51 C ATOM 682 C LEU A 43 -1.268 3.215 4.161 1.00 5.56 C ATOM 683 O LEU A 43 -0.942 4.384 4.019 1.00 4.19 O ATOM 684 CB LEU A 43 -0.849 1.727 2.147 1.00 3.74 C ATOM 685 CG LEU A 43 -1.476 0.794 1.152 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.500 0.549 0.002 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.757 -0.514 1.898 1.00 6.41 C ATOM 0 H LEU A 43 -2.457 3.728 1.492 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.421 1.602 3.500 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.270 2.480 1.612 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.148 1.167 2.766 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.394 1.207 0.734 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.953 -0.128 -0.722 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.266 1.496 -0.484 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.416 0.104 0.391 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.215 -1.230 1.216 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.822 -0.923 2.279 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.434 -0.320 2.730 1.00 6.41 H new ATOM 699 N ILE A 44 -1.062 2.545 5.332 1.00 4.58 N ATOM 700 CA ILE A 44 -0.331 2.979 6.508 1.00 5.55 C ATOM 701 C ILE A 44 1.022 2.324 6.607 1.00 5.46 C ATOM 702 O ILE A 44 1.195 1.091 6.463 1.00 6.04 O ATOM 703 CB ILE A 44 -1.224 2.837 7.776 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.175 4.027 8.059 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.304 2.790 9.018 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.211 4.474 6.894 1.00 13.90 C ATOM 0 H ILE A 44 -1.446 1.609 5.464 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.101 4.041 6.419 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.821 1.944 7.591 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.758 3.783 8.947 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.561 4.892 8.308 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.912 2.691 9.917 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.370 1.937 8.939 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.279 3.709 9.074 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.807 5.318 7.241 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.654 4.765 6.004 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.869 3.640 6.653 1.00 13.90 H new ATOM 718 N PHE A 45 2.016 3.116 6.975 1.00 6.75 N ATOM 719 CA PHE A 45 3.322 2.523 7.207 1.00 4.70 C ATOM 720 C PHE A 45 3.864 3.472 8.238 1.00 6.34 C ATOM 721 O PHE A 45 3.649 4.725 8.198 1.00 5.45 O ATOM 722 CB PHE A 45 4.107 2.421 5.958 1.00 5.51 C ATOM 723 CG PHE A 45 5.473 1.837 6.090 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.609 0.446 6.385 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.633 2.595 6.000 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.861 -0.141 6.644 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.847 2.026 6.224 1.00 6.64 C ATOM 728 CZ PHE A 45 7.995 0.665 6.540 1.00 6.84 C ATOM 0 H PHE A 45 1.952 4.124 7.114 1.00 6.75 H new ATOM 0 HA PHE A 45 3.330 1.487 7.546 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.543 1.818 5.246 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.200 3.418 5.528 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.725 -0.173 6.410 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.570 3.644 5.750 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.942 -1.183 6.915 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.731 2.643 6.157 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.978 0.247 6.701 1.00 6.84 H new ATOM 738 N ALA A 46 4.507 3.031 9.358 1.00 6.53 N ATOM 739 CA ALA A 46 5.009 3.760 10.500 1.00 7.15 C ATOM 740 C ALA A 46 3.897 4.558 11.301 1.00 9.00 C ATOM 741 O ALA A 46 4.186 5.624 11.865 1.00 11.15 O ATOM 742 CB ALA A 46 6.209 4.707 10.089 1.00 8.99 C ATOM 0 H ALA A 46 4.694 2.034 9.467 1.00 6.53 H new ATOM 0 HA ALA A 46 5.378 3.002 11.192 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.567 5.243 10.968 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.020 4.108 9.674 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.868 5.423 9.341 1.00 8.99 H new ATOM 748 N GLY A 47 2.619 4.142 11.229 1.00 9.35 N ATOM 749 CA GLY A 47 1.531 4.802 11.917 1.00 11.68 C ATOM 750 C GLY A 47 0.950 6.052 11.121 1.00 11.14 C ATOM 751 O GLY A 47 0.044 6.752 11.602 1.00 13.93 O ATOM 0 H GLY A 47 2.327 3.331 10.684 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.729 4.084 12.088 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.877 5.132 12.897 1.00 11.68 H new ATOM 755 N LYS A 48 1.466 6.276 9.905 1.00 10.47 N ATOM 756 CA LYS A 48 1.191 7.423 9.105 1.00 8.82 C ATOM 757 C LYS A 48 0.607 7.020 7.689 1.00 7.68 C ATOM 758 O LYS A 48 0.958 5.966 7.093 1.00 6.47 O ATOM 759 CB LYS A 48 2.563 8.142 8.895 1.00 9.74 C ATOM 760 CG LYS A 48 2.684 9.187 7.766 1.00 14.14 C ATOM 761 CD LYS A 48 3.998 9.925 7.803 1.00 16.32 C ATOM 762 CE LYS A 48 4.145 10.829 6.593 1.00 20.04 C ATOM 763 NZ LYS A 48 3.094 11.873 6.613 1.00 23.92 N ATOM 0 H LYS A 48 2.109 5.623 9.456 1.00 10.47 H new ATOM 0 HA LYS A 48 0.451 8.054 9.597 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.825 8.634 9.831 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.316 7.374 8.717 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.577 8.690 6.802 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.866 9.903 7.848 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.061 10.518 8.715 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.821 9.210 7.830 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.131 11.293 6.593 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.069 10.242 5.678 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.334 12.620 5.930 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.179 11.450 6.356 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.030 12.283 7.567 1.00 23.92 H new ATOM 777 N GLN A 49 -0.370 7.805 7.205 1.00 8.89 N ATOM 778 CA GLN A 49 -0.877 7.597 5.890 1.00 7.18 C ATOM 779 C GLN A 49 0.148 7.951 4.747 1.00 8.23 C ATOM 780 O GLN A 49 0.991 8.854 4.919 1.00 9.70 O ATOM 781 CB GLN A 49 -2.125 8.533 5.687 1.00 11.67 C ATOM 782 CG GLN A 49 -3.170 8.318 6.782 1.00 15.82 C ATOM 783 CD GLN A 49 -4.501 9.102 6.582 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.542 8.466 6.379 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.532 10.458 6.713 1.00 20.67 N ATOM 0 H GLN A 49 -0.803 8.573 7.717 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.111 6.535 5.815 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.804 9.575 5.688 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.572 8.339 4.712 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.398 7.254 6.842 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.736 8.606 7.740 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.668 10.974 6.880 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.419 10.957 6.644 1.00 20.67 H new ATOM 794 N LEU A 50 0.104 7.243 3.603 1.00 6.51 N ATOM 795 CA LEU A 50 1.109 7.333 2.600 1.00 7.41 C ATOM 796 C LEU A 50 0.693 8.103 1.322 1.00 8.27 C ATOM 797 O LEU A 50 -0.485 8.106 0.943 1.00 8.34 O ATOM 798 CB LEU A 50 1.659 5.994 2.085 1.00 7.13 C ATOM 799 CG LEU A 50 2.325 5.044 3.093 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.522 3.637 2.450 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.603 5.684 3.705 1.00 9.11 C ATOM 0 H LEU A 50 -0.649 6.594 3.374 1.00 6.51 H new ATOM 0 HA LEU A 50 1.871 7.873 3.162 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.836 5.456 1.614 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.386 6.212 1.303 1.00 7.13 H new ATOM 0 HG LEU A 50 1.671 4.882 3.950 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.995 2.970 3.171 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.553 3.230 2.161 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.156 3.726 1.568 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.053 4.990 4.415 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.316 5.904 2.910 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.337 6.607 4.220 1.00 9.11 H new ATOM 813 N GLU A 51 1.637 8.780 0.694 1.00 9.43 N ATOM 814 CA GLU A 51 1.366 9.671 -0.447 1.00 11.90 C ATOM 815 C GLU A 51 1.649 8.902 -1.731 1.00 11.49 C ATOM 816 O GLU A 51 2.603 8.127 -1.797 1.00 9.88 O ATOM 817 CB GLU A 51 2.065 11.007 -0.389 1.00 16.56 C ATOM 818 CG GLU A 51 1.293 12.142 -1.104 1.00 26.06 C ATOM 819 CD GLU A 51 -0.052 12.464 -0.425 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.094 13.065 0.652 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.072 12.023 -0.971 1.00 33.44 O ATOM 0 H GLU A 51 2.622 8.735 0.954 1.00 9.43 H new ATOM 0 HA GLU A 51 0.314 9.954 -0.409 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.216 11.283 0.654 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.053 10.911 -0.840 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.910 13.040 -1.123 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.113 11.857 -2.141 1.00 26.06 H new ATOM 828 N ASP A 52 0.729 9.131 -2.756 1.00 12.71 N ATOM 829 CA ASP A 52 0.611 8.353 -4.051 1.00 16.56 C ATOM 830 C ASP A 52 1.933 8.347 -4.833 1.00 15.83 C ATOM 831 O ASP A 52 2.456 7.330 -5.267 1.00 17.21 O ATOM 832 CB ASP A 52 -0.538 8.989 -4.906 1.00 21.05 C ATOM 833 CG ASP A 52 -1.814 9.020 -4.041 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.361 7.945 -3.750 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.264 10.089 -3.665 1.00 28.37 O ATOM 0 H ASP A 52 0.039 9.879 -2.694 1.00 12.71 H new ATOM 0 HA ASP A 52 0.378 7.313 -3.824 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.266 9.997 -5.220 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.706 8.407 -5.812 1.00 21.05 H new ATOM 840 N GLY A 53 2.535 9.558 -5.033 1.00 15.00 N ATOM 841 CA GLY A 53 3.715 9.779 -5.916 1.00 11.77 C ATOM 842 C GLY A 53 5.067 9.458 -5.263 1.00 11.10 C ATOM 843 O GLY A 53 6.066 9.441 -5.964 1.00 11.25 O ATOM 0 H GLY A 53 2.210 10.412 -4.581 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.603 9.167 -6.811 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.720 10.820 -6.241 1.00 11.77 H new ATOM 847 N ARG A 54 5.111 9.147 -3.947 1.00 8.53 N ATOM 848 CA ARG A 54 6.337 8.692 -3.300 1.00 9.05 C ATOM 849 C ARG A 54 6.689 7.260 -3.659 1.00 8.96 C ATOM 850 O ARG A 54 5.813 6.550 -4.107 1.00 11.60 O ATOM 851 CB ARG A 54 6.065 8.765 -1.822 1.00 7.97 C ATOM 852 CG ARG A 54 5.896 10.207 -1.295 1.00 9.62 C ATOM 853 CD ARG A 54 7.166 10.938 -1.299 1.00 12.20 C ATOM 854 NE ARG A 54 6.883 12.285 -0.697 1.00 18.23 N ATOM 855 CZ ARG A 54 7.235 12.655 0.604 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.147 11.964 1.303 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.600 13.670 1.198 1.00 23.38 N ATOM 0 H ARG A 54 4.306 9.207 -3.323 1.00 8.53 H new ATOM 0 HA ARG A 54 7.175 9.311 -3.621 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.162 8.197 -1.599 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.884 8.285 -1.286 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.169 10.737 -1.911 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.495 10.179 -0.282 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.922 10.406 -0.722 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.552 11.039 -2.313 1.00 12.20 H new ATOM 0 HE ARG A 54 6.403 12.974 -1.275 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.599 11.150 0.887 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.388 12.252 2.251 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.862 14.170 0.702 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.853 13.944 2.147 1.00 23.38 H new ATOM 871 N THR A 55 7.960 6.845 -3.468 1.00 9.05 N ATOM 872 CA THR A 55 8.464 5.516 -3.766 1.00 9.03 C ATOM 873 C THR A 55 8.541 4.628 -2.525 1.00 8.15 C ATOM 874 O THR A 55 8.373 5.112 -1.375 1.00 5.91 O ATOM 875 CB THR A 55 9.784 5.534 -4.481 1.00 11.15 C ATOM 876 OG1 THR A 55 10.745 6.216 -3.660 1.00 11.95 O ATOM 877 CG2 THR A 55 9.741 6.285 -5.837 1.00 11.71 C ATOM 0 H THR A 55 8.678 7.461 -3.087 1.00 9.05 H new ATOM 0 HA THR A 55 7.732 5.081 -4.446 1.00 9.03 H new ATOM 0 HB THR A 55 10.045 4.493 -4.672 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.572 5.692 -3.620 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.728 6.259 -6.299 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.019 5.804 -6.497 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.446 7.321 -5.670 1.00 11.71 H new ATOM 885 N LEU A 56 8.841 3.339 -2.716 1.00 6.91 N ATOM 886 CA LEU A 56 9.217 2.397 -1.658 1.00 8.29 C ATOM 887 C LEU A 56 10.477 2.809 -0.961 1.00 8.05 C ATOM 888 O LEU A 56 10.589 2.813 0.273 1.00 10.17 O ATOM 889 CB LEU A 56 9.401 1.017 -2.258 1.00 6.60 C ATOM 890 CG LEU A 56 8.101 0.199 -2.166 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.988 0.758 -3.118 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.400 -1.239 -2.451 1.00 8.64 C ATOM 0 H LEU A 56 8.828 2.909 -3.641 1.00 6.91 H new ATOM 0 HA LEU A 56 8.416 2.388 -0.918 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.705 1.107 -3.301 1.00 6.60 H new ATOM 0 HB3 LEU A 56 10.202 0.493 -1.736 1.00 6.60 H new ATOM 0 HG LEU A 56 7.706 0.285 -1.154 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.088 0.151 -3.021 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.761 1.789 -2.847 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.340 0.723 -4.149 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.481 -1.821 -2.387 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.819 -1.332 -3.453 1.00 8.64 H new ATOM 0 HD23 LEU A 56 9.118 -1.613 -1.721 1.00 8.64 H new ATOM 904 N SER A 57 11.423 3.279 -1.816 1.00 8.92 N ATOM 905 CA SER A 57 12.738 3.803 -1.332 1.00 9.00 C ATOM 906 C SER A 57 12.651 5.156 -0.532 1.00 9.44 C ATOM 907 O SER A 57 13.448 5.371 0.414 1.00 10.91 O ATOM 908 CB SER A 57 13.687 3.926 -2.544 1.00 10.32 C ATOM 909 OG SER A 57 13.136 4.827 -3.476 1.00 13.59 O ATOM 0 H SER A 57 11.308 3.308 -2.829 1.00 8.92 H new ATOM 0 HA SER A 57 13.125 3.089 -0.605 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.667 4.275 -2.219 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.833 2.950 -3.007 1.00 10.32 H new ATOM 0 HG SER A 57 13.736 4.909 -4.246 1.00 13.59 H new ATOM 915 N ASP A 58 11.771 6.110 -0.847 1.00 9.11 N ATOM 916 CA ASP A 58 11.570 7.323 -0.062 1.00 7.91 C ATOM 917 C ASP A 58 10.975 7.032 1.329 1.00 9.12 C ATOM 918 O ASP A 58 11.489 7.563 2.300 1.00 8.61 O ATOM 919 CB ASP A 58 10.487 8.135 -0.836 1.00 8.41 C ATOM 920 CG ASP A 58 10.298 9.497 -0.303 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.082 10.386 -0.778 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.486 9.731 0.619 1.00 11.70 O ATOM 0 H ASP A 58 11.170 6.057 -1.669 1.00 9.11 H new ATOM 0 HA ASP A 58 12.526 7.830 0.071 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.770 8.198 -1.887 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.539 7.599 -0.793 1.00 8.41 H new ATOM 927 N TYR A 59 10.034 6.068 1.431 1.00 7.97 N ATOM 928 CA TYR A 59 9.439 5.714 2.723 1.00 8.45 C ATOM 929 C TYR A 59 10.150 4.548 3.434 1.00 10.98 C ATOM 930 O TYR A 59 9.604 4.074 4.444 1.00 12.95 O ATOM 931 CB TYR A 59 7.871 5.357 2.519 1.00 7.94 C ATOM 932 CG TYR A 59 6.981 6.629 2.417 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.831 7.564 3.472 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.171 6.840 1.286 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.961 8.588 3.437 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.172 7.835 1.290 1.00 6.52 C ATOM 937 CZ TYR A 59 5.103 8.757 2.360 1.00 6.76 C ATOM 938 OH TYR A 59 4.200 9.880 2.417 1.00 7.63 O ATOM 0 H TYR A 59 9.678 5.531 0.640 1.00 7.97 H new ATOM 0 HA TYR A 59 9.557 6.585 3.368 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.752 4.760 1.615 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.529 4.744 3.353 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.448 7.447 4.350 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.316 6.233 0.405 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.929 9.289 4.258 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.462 7.893 0.478 1.00 6.52 H new ATOM 0 HH TYR A 59 4.010 10.194 1.508 1.00 7.63 H new ATOM 948 N ASN A 60 11.362 4.200 3.015 1.00 12.38 N ATOM 949 CA ASN A 60 12.231 3.172 3.690 1.00 13.94 C ATOM 950 C ASN A 60 11.550 1.834 3.789 1.00 14.16 C ATOM 951 O ASN A 60 11.672 1.215 4.840 1.00 14.26 O ATOM 952 CB ASN A 60 12.673 3.782 5.059 1.00 19.23 C ATOM 953 CG ASN A 60 13.324 5.168 4.928 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.877 5.507 3.884 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.345 5.924 6.002 1.00 24.09 N ATOM 0 H ASN A 60 11.797 4.613 2.190 1.00 12.38 H new ATOM 0 HA ASN A 60 13.122 2.953 3.101 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.804 3.857 5.712 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.376 3.103 5.541 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.830 6.821 5.985 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.876 5.614 6.853 1.00 24.09 H new ATOM 962 N ILE A 61 10.905 1.339 2.769 1.00 11.08 N ATOM 963 CA ILE A 61 10.247 0.095 2.642 1.00 11.78 C ATOM 964 C ILE A 61 11.310 -0.820 2.114 1.00 13.74 C ATOM 965 O ILE A 61 12.185 -0.473 1.296 1.00 14.60 O ATOM 966 CB ILE A 61 8.958 0.137 1.736 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.967 1.205 2.284 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.306 -1.331 1.603 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.723 1.508 1.487 1.00 11.42 C ATOM 0 H ILE A 61 10.827 1.878 1.906 1.00 11.08 H new ATOM 0 HA ILE A 61 9.840 -0.243 3.595 1.00 11.78 H new ATOM 0 HB ILE A 61 9.226 0.438 0.723 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.654 0.888 3.279 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.518 2.137 2.405 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.418 -1.279 0.974 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.030 -2.011 1.154 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.029 -1.697 2.592 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.139 2.271 2.001 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.004 1.871 0.498 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.126 0.601 1.385 1.00 11.42 H new ATOM 981 N GLN A 62 11.264 -2.063 2.634 1.00 13.97 N ATOM 982 CA GLN A 62 12.406 -2.954 2.518 1.00 15.52 C ATOM 983 C GLN A 62 11.833 -4.375 2.298 1.00 13.94 C ATOM 984 O GLN A 62 10.597 -4.694 2.378 1.00 12.15 O ATOM 985 CB GLN A 62 13.311 -2.904 3.781 1.00 19.53 C ATOM 986 CG GLN A 62 14.251 -1.714 3.816 1.00 26.38 C ATOM 987 CD GLN A 62 15.274 -1.630 4.987 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.929 -1.484 6.156 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.579 -1.555 4.671 1.00 32.71 N ATOM 0 H GLN A 62 10.461 -2.455 3.126 1.00 13.97 H new ATOM 0 HA GLN A 62 13.042 -2.652 1.686 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.679 -2.881 4.669 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.899 -3.821 3.832 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.811 -1.702 2.881 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.644 -0.809 3.836 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.877 -1.675 3.703 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.271 -1.378 5.399 1.00 32.71 H new ATOM 998 N LYS A 63 12.804 -5.332 2.034 1.00 11.73 N ATOM 999 CA LYS A 63 12.439 -6.745 1.874 1.00 11.97 C ATOM 1000 C LYS A 63 11.757 -7.328 3.165 1.00 10.41 C ATOM 1001 O LYS A 63 12.274 -7.474 4.252 1.00 9.59 O ATOM 1002 CB LYS A 63 13.775 -7.470 1.575 1.00 13.73 C ATOM 1003 CG LYS A 63 13.718 -8.962 1.883 1.00 16.98 C ATOM 1004 CD LYS A 63 15.140 -9.590 1.612 1.00 20.19 C ATOM 1005 CE LYS A 63 15.468 -10.975 2.237 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.337 -11.882 2.088 1.00 25.97 N ATOM 0 H LYS A 63 13.799 -5.132 1.936 1.00 11.73 H new ATOM 0 HA LYS A 63 11.707 -6.879 1.077 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.032 -7.330 0.525 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.571 -7.012 2.162 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.426 -9.123 2.921 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.966 -9.448 1.261 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.265 -9.675 0.533 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.889 -8.881 1.965 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.348 -11.399 1.754 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.710 -10.856 3.293 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.612 -12.834 2.402 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.542 -11.543 2.666 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.049 -11.917 1.089 1.00 25.97 H new ATOM 1020 N GLU A 64 10.489 -7.644 3.002 1.00 10.04 N ATOM 1021 CA GLU A 64 9.590 -8.274 4.011 1.00 10.94 C ATOM 1022 C GLU A 64 9.128 -7.330 5.097 1.00 9.74 C ATOM 1023 O GLU A 64 8.765 -7.704 6.208 1.00 9.42 O ATOM 1024 CB GLU A 64 10.128 -9.615 4.575 1.00 18.31 C ATOM 1025 CG GLU A 64 10.152 -10.600 3.341 1.00 24.16 C ATOM 1026 CD GLU A 64 11.274 -11.537 3.751 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.496 -11.276 3.830 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.875 -12.710 3.881 1.00 32.61 O ATOM 0 H GLU A 64 10.008 -7.468 2.120 1.00 10.04 H new ATOM 0 HA GLU A 64 8.693 -8.528 3.446 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.124 -9.492 5.001 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.486 -9.994 5.370 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.204 -11.122 3.210 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.365 -10.085 2.404 1.00 24.16 H new ATOM 1035 N SER A 65 8.963 -6.034 4.775 1.00 6.85 N ATOM 1036 CA SER A 65 8.213 -5.101 5.553 1.00 6.90 C ATOM 1037 C SER A 65 6.764 -5.447 5.516 1.00 4.72 C ATOM 1038 O SER A 65 6.222 -5.958 4.526 1.00 3.91 O ATOM 1039 CB SER A 65 8.385 -3.611 5.144 1.00 7.28 C ATOM 1040 OG SER A 65 9.697 -3.086 5.181 1.00 10.56 O ATOM 0 H SER A 65 9.370 -5.620 3.936 1.00 6.85 H new ATOM 0 HA SER A 65 8.620 -5.189 6.560 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.999 -3.490 4.132 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.758 -3.005 5.798 1.00 7.28 H new ATOM 0 HG SER A 65 9.664 -2.114 5.060 1.00 10.56 H new ATOM 1046 N THR A 66 6.046 -5.069 6.597 1.00 4.48 N ATOM 1047 CA THR A 66 4.566 -5.077 6.659 1.00 3.80 C ATOM 1048 C THR A 66 4.041 -3.711 6.320 1.00 4.60 C ATOM 1049 O THR A 66 4.517 -2.664 6.694 1.00 5.33 O ATOM 1050 CB THR A 66 4.063 -5.568 7.984 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.275 -6.970 8.178 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.545 -5.456 8.124 1.00 3.40 C ATOM 0 H THR A 66 6.482 -4.746 7.461 1.00 4.48 H new ATOM 0 HA THR A 66 4.188 -5.783 5.919 1.00 3.80 H new ATOM 0 HB THR A 66 4.611 -4.945 8.690 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.930 -7.234 9.056 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.242 -5.827 9.103 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.246 -4.413 8.022 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.063 -6.049 7.347 1.00 3.40 H new ATOM 1060 N LEU A 67 2.976 -3.707 5.472 1.00 4.17 N ATOM 1061 CA LEU A 67 2.161 -2.537 5.343 1.00 3.85 C ATOM 1062 C LEU A 67 0.741 -2.773 5.839 1.00 3.80 C ATOM 1063 O LEU A 67 0.184 -3.908 5.910 1.00 5.54 O ATOM 1064 CB LEU A 67 2.274 -1.937 3.909 1.00 7.18 C ATOM 1065 CG LEU A 67 3.641 -1.293 3.647 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.550 -2.279 2.920 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.414 -0.017 2.777 1.00 11.66 C ATOM 0 H LEU A 67 2.692 -4.498 4.893 1.00 4.17 H new ATOM 0 HA LEU A 67 2.544 -1.763 6.008 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.100 -2.724 3.175 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.492 -1.191 3.768 1.00 7.18 H new ATOM 0 HG LEU A 67 4.121 -1.022 4.587 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.519 -1.814 2.738 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.685 -3.170 3.533 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.097 -2.558 1.969 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.373 0.461 2.576 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.944 -0.298 1.835 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.767 0.678 3.312 1.00 11.66 H new ATOM 1079 N HIS A 68 0.066 -1.670 6.171 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.233 -1.710 6.804 1.00 4.17 C ATOM 1081 C HIS A 68 -2.172 -0.957 5.911 1.00 5.32 C ATOM 1082 O HIS A 68 -1.778 -0.411 4.865 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.219 -0.965 8.146 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.163 -1.528 9.110 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.240 -2.769 9.687 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.060 -1.012 9.320 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.012 -2.964 10.191 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.770 -1.928 9.997 1.00 16.30 N ATOM 0 H HIS A 68 0.415 -0.726 6.003 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.521 -2.749 6.967 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.022 0.093 7.971 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.204 -1.033 8.608 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.407 -0.040 9.003 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.333 -3.867 10.689 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.737 -1.828 10.305 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.493 -0.974 6.211 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.426 -0.460 5.282 1.00 3.97 C ATOM 1098 C LEU A 69 -5.669 0.127 5.953 1.00 5.07 C ATOM 1099 O LEU A 69 -6.257 -0.473 6.801 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.826 -1.584 4.259 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.811 -1.273 3.078 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.410 -0.164 2.112 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.074 -2.505 2.230 1.00 9.96 C ATOM 0 H LEU A 69 -3.892 -1.337 7.077 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.944 0.363 4.755 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.903 -1.960 3.817 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.261 -2.402 4.834 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.692 -0.927 3.618 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.178 -0.054 1.346 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.305 0.774 2.658 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.461 -0.418 1.640 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.760 -2.251 1.422 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.135 -2.864 1.809 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.516 -3.286 2.849 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.205 1.248 5.411 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.535 1.684 5.743 1.00 6.26 C ATOM 1117 C VAL A 70 -8.172 2.099 4.423 1.00 9.22 C ATOM 1118 O VAL A 70 -7.600 2.361 3.398 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.550 2.899 6.727 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.694 2.656 7.971 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.254 4.278 6.059 1.00 8.54 C ATOM 0 H VAL A 70 -5.718 1.849 4.746 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.070 0.880 6.247 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.585 2.970 7.060 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.739 3.530 8.620 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.071 1.785 8.508 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.661 2.479 7.673 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.285 5.063 6.815 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.266 4.255 5.600 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -8.004 4.481 5.295 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.548 2.212 4.402 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.262 2.458 3.181 1.00 16.06 C ATOM 1133 C LEU A 71 -11.192 3.657 3.355 1.00 18.09 C ATOM 1134 O LEU A 71 -11.984 3.792 4.299 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.139 1.257 2.667 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.473 -0.149 2.372 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.588 -1.087 1.915 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.265 -0.091 1.347 1.00 19.57 C ATOM 0 H LEU A 71 -10.140 2.131 5.229 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.483 2.632 2.439 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.926 1.093 3.403 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.626 1.583 1.748 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.006 -0.521 3.284 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.171 -2.071 1.700 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.336 -1.174 2.703 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.054 -0.687 1.015 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.865 -1.094 1.199 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.616 0.304 0.393 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.483 0.557 1.743 1.00 19.57 H new