USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 599 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 121:sc= 0.138 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.14 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.163 K(o=-1.3,f=-4!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -162:sc= -1.11 (180deg=-2.07!) USER MOD Set 3.1: A 7 THR OG1 : rot 127:sc= 1.03 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.498 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 4.2: A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.359) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.993 (180deg=-0.136) USER MOD Single : A 2 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.011) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 0.512 (180deg=0.276) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.093 USER MOD Single : A 14 THR OG1 : rot -68:sc= 1.77 USER MOD Single : A 20 SER OG : rot -46:sc= 0.035 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= -0.112 (180deg=-1.46) USER MOD Single : A 31 GLN : amide:sc= -0.767 K(o=-0.77,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.091) USER MOD Single : A 41 GLN : amide:sc= -1.76 K(o=-1.8,f=-8.8!) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.203 (180deg=-0.989) USER MOD Single : A 49 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.18) USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 68:sc= 1.14 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.579 -87.805 9.683 1.00 9.67 N ATOM 2 CA MET A 1 52.285 -87.087 9.857 1.00 10.38 C ATOM 3 C MET A 1 51.483 -87.158 8.563 1.00 9.62 C ATOM 4 O MET A 1 52.047 -87.267 7.475 1.00 9.62 O ATOM 5 CB MET A 1 52.558 -85.625 10.218 1.00 13.77 C ATOM 6 CG MET A 1 53.411 -84.970 9.131 1.00 16.29 C ATOM 7 SD MET A 1 53.926 -83.325 9.690 1.00 17.17 S ATOM 8 CE MET A 1 53.868 -82.498 8.081 1.00 16.11 C ATOM 0 H1 MET A 1 54.270 -87.448 10.374 1.00 9.67 H new ATOM 0 H2 MET A 1 53.434 -88.824 9.833 1.00 9.67 H new ATOM 0 H3 MET A 1 53.938 -87.645 8.720 1.00 9.67 H new ATOM 0 HA MET A 1 51.714 -87.556 10.658 1.00 10.38 H new ATOM 0 HB2 MET A 1 51.617 -85.087 10.327 1.00 13.77 H new ATOM 0 HB3 MET A 1 53.071 -85.568 11.178 1.00 13.77 H new ATOM 0 HG2 MET A 1 54.285 -85.585 8.918 1.00 16.29 H new ATOM 0 HG3 MET A 1 52.843 -84.891 8.204 1.00 16.29 H new ATOM 0 HE1 MET A 1 54.473 -81.592 8.115 1.00 16.11 H new ATOM 0 HE2 MET A 1 54.259 -83.167 7.314 1.00 16.11 H new ATOM 0 HE3 MET A 1 52.837 -82.236 7.843 1.00 16.11 H new ATOM 20 N GLN A 2 50.160 -87.096 8.691 1.00 9.27 N ATOM 21 CA GLN A 2 49.270 -87.155 7.530 1.00 9.07 C ATOM 22 C GLN A 2 48.831 -85.753 7.129 1.00 8.72 C ATOM 23 O GLN A 2 48.552 -84.901 7.977 1.00 8.22 O ATOM 24 CB GLN A 2 48.035 -87.995 7.867 1.00 14.46 C ATOM 25 CG GLN A 2 48.438 -89.465 7.999 1.00 17.01 C ATOM 26 CD GLN A 2 47.282 -90.283 8.570 1.00 20.10 C ATOM 27 OE1 GLN A 2 47.339 -91.512 8.582 1.00 21.89 O ATOM 28 NE2 GLN A 2 46.228 -89.674 9.043 1.00 19.49 N ATOM 0 H GLN A 2 49.679 -87.005 9.586 1.00 9.27 H new ATOM 0 HA GLN A 2 49.809 -87.611 6.700 1.00 9.07 H new ATOM 0 HB2 GLN A 2 47.587 -87.645 8.797 1.00 14.46 H new ATOM 0 HB3 GLN A 2 47.282 -87.882 7.088 1.00 14.46 H new ATOM 0 HG2 GLN A 2 48.725 -89.859 7.024 1.00 17.01 H new ATOM 0 HG3 GLN A 2 49.310 -89.553 8.647 1.00 17.01 H new ATOM 0 HE21 GLN A 2 46.180 -88.655 9.033 1.00 19.49 H new ATOM 0 HE22 GLN A 2 45.452 -90.217 9.422 1.00 19.49 H new ATOM 37 N ILE A 3 48.748 -85.537 5.813 1.00 5.87 N ATOM 38 CA ILE A 3 48.313 -84.258 5.258 1.00 5.07 C ATOM 39 C ILE A 3 47.222 -84.500 4.217 1.00 4.01 C ATOM 40 O ILE A 3 46.997 -85.637 3.792 1.00 4.61 O ATOM 41 CB ILE A 3 49.495 -83.486 4.654 1.00 6.55 C ATOM 42 CG1 ILE A 3 50.101 -84.232 3.460 1.00 4.72 C ATOM 43 CG2 ILE A 3 50.573 -83.302 5.726 1.00 5.58 C ATOM 44 CD1 ILE A 3 51.025 -83.277 2.702 1.00 10.83 C ATOM 0 H ILE A 3 48.979 -86.239 5.110 1.00 5.87 H new ATOM 0 HA ILE A 3 47.905 -83.644 6.061 1.00 5.07 H new ATOM 0 HB ILE A 3 49.129 -82.520 4.305 1.00 6.55 H new ATOM 0 HG12 ILE A 3 50.658 -85.104 3.803 1.00 4.72 H new ATOM 0 HG13 ILE A 3 49.312 -84.596 2.802 1.00 4.72 H new ATOM 0 HG21 ILE A 3 51.416 -82.754 5.304 1.00 5.58 H new ATOM 0 HG22 ILE A 3 50.160 -82.742 6.565 1.00 5.58 H new ATOM 0 HG23 ILE A 3 50.912 -84.278 6.073 1.00 5.58 H new ATOM 0 HD11 ILE A 3 51.463 -83.795 1.849 1.00 10.83 H new ATOM 0 HD12 ILE A 3 50.452 -82.419 2.350 1.00 10.83 H new ATOM 0 HD13 ILE A 3 51.819 -82.935 3.366 1.00 10.83 H new ATOM 56 N PHE A 4 46.552 -83.421 3.805 1.00 4.55 N ATOM 57 CA PHE A 4 45.482 -83.520 2.804 1.00 4.68 C ATOM 58 C PHE A 4 45.756 -82.599 1.621 1.00 5.30 C ATOM 59 O PHE A 4 46.156 -81.460 1.802 1.00 5.58 O ATOM 60 CB PHE A 4 44.149 -83.122 3.442 1.00 4.83 C ATOM 61 CG PHE A 4 43.808 -84.079 4.559 1.00 7.97 C ATOM 62 CD1 PHE A 4 43.190 -85.301 4.266 1.00 6.69 C ATOM 63 CD2 PHE A 4 44.105 -83.746 5.887 1.00 8.34 C ATOM 64 CE1 PHE A 4 42.869 -86.190 5.299 1.00 9.10 C ATOM 65 CE2 PHE A 4 43.784 -84.635 6.920 1.00 10.61 C ATOM 66 CZ PHE A 4 43.166 -85.857 6.626 1.00 8.90 C ATOM 0 H PHE A 4 46.728 -82.475 4.144 1.00 4.55 H new ATOM 0 HA PHE A 4 45.441 -84.549 2.448 1.00 4.68 H new ATOM 0 HB2 PHE A 4 44.210 -82.105 3.829 1.00 4.83 H new ATOM 0 HB3 PHE A 4 43.359 -83.130 2.691 1.00 4.83 H new ATOM 0 HD1 PHE A 4 42.961 -85.558 3.242 1.00 6.69 H new ATOM 0 HD2 PHE A 4 44.581 -82.804 6.114 1.00 8.34 H new ATOM 0 HE1 PHE A 4 42.392 -87.132 5.072 1.00 9.10 H new ATOM 0 HE2 PHE A 4 44.013 -84.378 7.944 1.00 10.61 H new ATOM 0 HZ PHE A 4 42.919 -86.542 7.423 1.00 8.90 H new ATOM 76 N VAL A 5 45.498 -83.091 0.405 1.00 4.44 N ATOM 77 CA VAL A 5 45.677 -82.275 -0.806 1.00 3.87 C ATOM 78 C VAL A 5 44.340 -82.174 -1.534 1.00 4.93 C ATOM 79 O VAL A 5 43.744 -83.187 -1.887 1.00 6.84 O ATOM 80 CB VAL A 5 46.721 -82.888 -1.744 1.00 2.99 C ATOM 81 CG1 VAL A 5 46.912 -81.956 -2.945 1.00 5.28 C ATOM 82 CG2 VAL A 5 48.060 -83.022 -1.015 1.00 9.13 C ATOM 0 H VAL A 5 45.168 -84.040 0.231 1.00 4.44 H new ATOM 0 HA VAL A 5 46.029 -81.287 -0.510 1.00 3.87 H new ATOM 0 HB VAL A 5 46.382 -83.871 -2.070 1.00 2.99 H new ATOM 0 HG11 VAL A 5 47.654 -82.381 -3.621 1.00 5.28 H new ATOM 0 HG12 VAL A 5 45.964 -81.842 -3.471 1.00 5.28 H new ATOM 0 HG13 VAL A 5 47.254 -80.981 -2.598 1.00 5.28 H new ATOM 0 HG21 VAL A 5 48.798 -83.459 -1.688 1.00 9.13 H new ATOM 0 HG22 VAL A 5 48.399 -82.037 -0.694 1.00 9.13 H new ATOM 0 HG23 VAL A 5 47.937 -83.666 -0.144 1.00 9.13 H new ATOM 92 N LYS A 6 43.882 -80.948 -1.789 1.00 6.04 N ATOM 93 CA LYS A 6 42.622 -80.743 -2.511 1.00 6.12 C ATOM 94 C LYS A 6 42.910 -80.396 -3.972 1.00 6.57 C ATOM 95 O LYS A 6 43.815 -79.621 -4.266 1.00 5.76 O ATOM 96 CB LYS A 6 41.799 -79.604 -1.868 1.00 7.45 C ATOM 97 CG LYS A 6 40.895 -80.156 -0.748 1.00 11.12 C ATOM 98 CD LYS A 6 39.877 -79.094 -0.317 1.00 14.54 C ATOM 99 CE LYS A 6 40.576 -77.756 -0.071 1.00 18.84 C ATOM 100 NZ LYS A 6 39.692 -76.877 0.745 1.00 20.55 N ATOM 0 H LYS A 6 44.357 -80.089 -1.511 1.00 6.04 H new ATOM 0 HA LYS A 6 42.045 -81.666 -2.458 1.00 6.12 H new ATOM 0 HB2 LYS A 6 42.470 -78.847 -1.462 1.00 7.45 H new ATOM 0 HB3 LYS A 6 41.189 -79.115 -2.627 1.00 7.45 H new ATOM 0 HG2 LYS A 6 40.375 -81.048 -1.097 1.00 11.12 H new ATOM 0 HG3 LYS A 6 41.503 -80.455 0.106 1.00 11.12 H new ATOM 0 HD2 LYS A 6 39.115 -78.977 -1.088 1.00 14.54 H new ATOM 0 HD3 LYS A 6 39.366 -79.417 0.590 1.00 14.54 H new ATOM 0 HE2 LYS A 6 41.523 -77.917 0.445 1.00 18.84 H new ATOM 0 HE3 LYS A 6 40.809 -77.275 -1.021 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 39.945 -75.882 0.581 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 38.701 -77.032 0.471 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 39.812 -77.103 1.753 1.00 20.55 H new ATOM 114 N THR A 7 42.120 -80.966 -4.882 1.00 7.41 N ATOM 115 CA THR A 7 42.289 -80.698 -6.311 1.00 7.48 C ATOM 116 C THR A 7 41.284 -79.652 -6.779 1.00 8.75 C ATOM 117 O THR A 7 40.283 -79.383 -6.115 1.00 8.58 O ATOM 118 CB THR A 7 42.093 -81.979 -7.123 1.00 9.61 C ATOM 119 OG1 THR A 7 40.725 -82.360 -7.095 1.00 11.78 O ATOM 120 CG2 THR A 7 42.956 -83.110 -6.560 1.00 9.17 C ATOM 0 H THR A 7 41.362 -81.611 -4.658 1.00 7.41 H new ATOM 0 HA THR A 7 43.301 -80.323 -6.466 1.00 7.48 H new ATOM 0 HB THR A 7 42.397 -81.789 -8.152 1.00 9.61 H new ATOM 0 HG1 THR A 7 40.401 -82.482 -8.012 1.00 11.78 H new ATOM 0 HG21 THR A 7 42.803 -84.013 -7.151 1.00 9.17 H new ATOM 0 HG22 THR A 7 44.006 -82.822 -6.603 1.00 9.17 H new ATOM 0 HG23 THR A 7 42.674 -83.302 -5.525 1.00 9.17 H new ATOM 128 N LEU A 8 41.573 -79.080 -7.926 1.00 9.84 N ATOM 129 CA LEU A 8 40.697 -78.063 -8.491 1.00 14.15 C ATOM 130 C LEU A 8 39.339 -78.657 -8.843 1.00 17.37 C ATOM 131 O LEU A 8 38.392 -77.922 -9.120 1.00 17.01 O ATOM 132 CB LEU A 8 41.351 -77.398 -9.712 1.00 16.63 C ATOM 133 CG LEU A 8 41.572 -78.418 -10.852 1.00 18.88 C ATOM 134 CD1 LEU A 8 40.389 -78.388 -11.837 1.00 19.31 C ATOM 135 CD2 LEU A 8 42.860 -78.064 -11.606 1.00 18.59 C ATOM 0 H LEU A 8 42.398 -79.295 -8.486 1.00 9.84 H new ATOM 0 HA LEU A 8 40.537 -77.290 -7.739 1.00 14.15 H new ATOM 0 HB2 LEU A 8 40.720 -76.583 -10.067 1.00 16.63 H new ATOM 0 HB3 LEU A 8 42.306 -76.959 -9.423 1.00 16.63 H new ATOM 0 HG LEU A 8 41.651 -79.416 -10.420 1.00 18.88 H new ATOM 0 HD11 LEU A 8 40.560 -79.112 -12.634 1.00 19.31 H new ATOM 0 HD12 LEU A 8 39.469 -78.640 -11.309 1.00 19.31 H new ATOM 0 HD13 LEU A 8 40.299 -77.390 -12.267 1.00 19.31 H new ATOM 0 HD21 LEU A 8 43.019 -78.781 -12.411 1.00 18.59 H new ATOM 0 HD22 LEU A 8 42.772 -77.062 -12.025 1.00 18.59 H new ATOM 0 HD23 LEU A 8 43.705 -78.097 -10.918 1.00 18.59 H new ATOM 147 N THR A 9 39.236 -79.992 -8.824 1.00 18.33 N ATOM 148 CA THR A 9 37.964 -80.656 -9.138 1.00 19.24 C ATOM 149 C THR A 9 37.201 -81.001 -7.862 1.00 19.48 C ATOM 150 O THR A 9 36.090 -81.530 -7.914 1.00 23.14 O ATOM 151 CB THR A 9 38.175 -81.896 -10.010 1.00 18.97 C ATOM 152 OG1 THR A 9 38.898 -82.869 -9.267 1.00 20.24 O ATOM 153 CG2 THR A 9 38.966 -81.528 -11.264 1.00 19.70 C ATOM 0 H THR A 9 40.004 -80.625 -8.599 1.00 18.33 H new ATOM 0 HA THR A 9 37.360 -79.955 -9.714 1.00 19.24 H new ATOM 0 HB THR A 9 37.205 -82.296 -10.306 1.00 18.97 H new ATOM 0 HG1 THR A 9 39.035 -83.667 -9.819 1.00 20.24 H new ATOM 0 HG21 THR A 9 39.110 -82.418 -11.877 1.00 19.70 H new ATOM 0 HG22 THR A 9 38.416 -80.779 -11.834 1.00 19.70 H new ATOM 0 HG23 THR A 9 39.937 -81.124 -10.976 1.00 19.70 H new ATOM 161 N GLY A 10 37.780 -80.640 -6.718 1.00 19.43 N ATOM 162 CA GLY A 10 37.125 -80.850 -5.427 1.00 18.74 C ATOM 163 C GLY A 10 37.457 -82.185 -4.766 1.00 17.62 C ATOM 164 O GLY A 10 36.814 -82.584 -3.795 1.00 19.74 O ATOM 0 H GLY A 10 38.699 -80.202 -6.658 1.00 19.43 H new ATOM 0 HA2 GLY A 10 37.410 -80.043 -4.752 1.00 18.74 H new ATOM 0 HA3 GLY A 10 36.046 -80.784 -5.565 1.00 18.74 H new ATOM 168 N LYS A 11 38.464 -82.873 -5.300 1.00 13.56 N ATOM 169 CA LYS A 11 38.852 -84.167 -4.732 1.00 11.91 C ATOM 170 C LYS A 11 39.888 -83.957 -3.636 1.00 10.18 C ATOM 171 O LYS A 11 40.760 -83.108 -3.780 1.00 9.10 O ATOM 172 CB LYS A 11 39.459 -85.073 -5.806 1.00 13.43 C ATOM 173 CG LYS A 11 39.628 -86.492 -5.260 1.00 16.69 C ATOM 174 CD LYS A 11 40.236 -87.382 -6.347 1.00 17.92 C ATOM 175 CE LYS A 11 40.331 -88.821 -5.839 1.00 20.81 C ATOM 176 NZ LYS A 11 40.831 -89.702 -6.933 1.00 21.93 N ATOM 0 H LYS A 11 39.015 -82.569 -6.103 1.00 13.56 H new ATOM 0 HA LYS A 11 37.958 -84.639 -4.325 1.00 11.91 H new ATOM 0 HB2 LYS A 11 38.817 -85.088 -6.687 1.00 13.43 H new ATOM 0 HB3 LYS A 11 40.425 -84.679 -6.122 1.00 13.43 H new ATOM 0 HG2 LYS A 11 40.271 -86.481 -4.380 1.00 16.69 H new ATOM 0 HG3 LYS A 11 38.664 -86.890 -4.945 1.00 16.69 H new ATOM 0 HD2 LYS A 11 39.623 -87.343 -7.248 1.00 17.92 H new ATOM 0 HD3 LYS A 11 41.226 -87.016 -6.619 1.00 17.92 H new ATOM 0 HE2 LYS A 11 41.002 -88.872 -4.981 1.00 20.81 H new ATOM 0 HE3 LYS A 11 39.353 -89.164 -5.500 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 40.569 -90.688 -6.732 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 40.407 -89.408 -7.836 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 41.866 -89.625 -6.995 1.00 21.93 H new ATOM 190 N THR A 12 39.813 -84.740 -2.552 1.00 9.63 N ATOM 191 CA THR A 12 40.799 -84.604 -1.465 1.00 9.85 C ATOM 192 C THR A 12 41.629 -85.877 -1.365 1.00 11.66 C ATOM 193 O THR A 12 41.083 -86.974 -1.238 1.00 12.33 O ATOM 194 CB THR A 12 40.103 -84.328 -0.128 1.00 10.85 C ATOM 195 OG1 THR A 12 39.358 -83.121 -0.226 1.00 10.91 O ATOM 196 CG2 THR A 12 41.172 -84.171 0.957 1.00 9.63 C ATOM 0 H THR A 12 39.102 -85.456 -2.403 1.00 9.63 H new ATOM 0 HA THR A 12 41.451 -83.760 -1.691 1.00 9.85 H new ATOM 0 HB THR A 12 39.433 -85.151 0.120 1.00 10.85 H new ATOM 0 HG1 THR A 12 38.910 -82.943 0.627 1.00 10.91 H new ATOM 0 HG21 THR A 12 40.692 -83.974 1.915 1.00 9.63 H new ATOM 0 HG22 THR A 12 41.757 -85.088 1.026 1.00 9.63 H new ATOM 0 HG23 THR A 12 41.829 -83.339 0.703 1.00 9.63 H new ATOM 204 N ILE A 13 42.954 -85.725 -1.395 1.00 10.42 N ATOM 205 CA ILE A 13 43.860 -86.868 -1.276 1.00 11.84 C ATOM 206 C ILE A 13 44.589 -86.806 0.059 1.00 10.55 C ATOM 207 O ILE A 13 45.049 -85.745 0.477 1.00 11.92 O ATOM 208 CB ILE A 13 44.919 -86.878 -2.388 1.00 14.86 C ATOM 209 CG1 ILE A 13 44.252 -86.587 -3.734 1.00 14.87 C ATOM 210 CG2 ILE A 13 45.594 -88.251 -2.439 1.00 17.08 C ATOM 211 CD1 ILE A 13 45.302 -86.605 -4.846 1.00 16.46 C ATOM 0 H ILE A 13 43.422 -84.825 -1.500 1.00 10.42 H new ATOM 0 HA ILE A 13 43.252 -87.770 -1.355 1.00 11.84 H new ATOM 0 HB ILE A 13 45.667 -86.113 -2.182 1.00 14.86 H new ATOM 0 HG12 ILE A 13 43.481 -87.331 -3.937 1.00 14.87 H new ATOM 0 HG13 ILE A 13 43.758 -85.616 -3.703 1.00 14.87 H new ATOM 0 HG21 ILE A 13 46.346 -88.258 -3.228 1.00 17.08 H new ATOM 0 HG22 ILE A 13 46.072 -88.457 -1.481 1.00 17.08 H new ATOM 0 HG23 ILE A 13 44.846 -89.017 -2.644 1.00 17.08 H new ATOM 0 HD11 ILE A 13 44.822 -86.397 -5.803 1.00 16.46 H new ATOM 0 HD12 ILE A 13 46.057 -85.845 -4.646 1.00 16.46 H new ATOM 0 HD13 ILE A 13 45.776 -87.586 -4.883 1.00 16.46 H new ATOM 223 N THR A 14 44.715 -87.960 0.711 1.00 9.39 N ATOM 224 CA THR A 14 45.422 -88.032 1.988 1.00 9.63 C ATOM 225 C THR A 14 46.784 -88.658 1.747 1.00 11.20 C ATOM 226 O THR A 14 46.878 -89.717 1.126 1.00 11.63 O ATOM 227 CB THR A 14 44.633 -88.885 2.984 1.00 10.38 C ATOM 228 OG1 THR A 14 43.355 -88.302 3.192 1.00 16.30 O ATOM 229 CG2 THR A 14 45.389 -88.953 4.312 1.00 11.66 C ATOM 0 H THR A 14 44.341 -88.850 0.381 1.00 9.39 H new ATOM 0 HA THR A 14 45.533 -87.030 2.403 1.00 9.63 H new ATOM 0 HB THR A 14 44.513 -89.893 2.587 1.00 10.38 H new ATOM 0 HG1 THR A 14 43.457 -87.450 3.666 1.00 16.30 H new ATOM 0 HG21 THR A 14 44.826 -89.561 5.020 1.00 11.66 H new ATOM 0 HG22 THR A 14 46.370 -89.400 4.150 1.00 11.66 H new ATOM 0 HG23 THR A 14 45.511 -87.947 4.713 1.00 11.66 H new ATOM 237 N LEU A 15 47.843 -88.017 2.246 1.00 8.29 N ATOM 238 CA LEU A 15 49.205 -88.537 2.071 1.00 9.03 C ATOM 239 C LEU A 15 49.859 -88.746 3.432 1.00 8.59 C ATOM 240 O LEU A 15 49.624 -87.982 4.368 1.00 7.79 O ATOM 241 CB LEU A 15 50.120 -87.527 1.320 1.00 11.08 C ATOM 242 CG LEU A 15 49.830 -87.333 -0.212 1.00 15.79 C ATOM 243 CD1 LEU A 15 49.040 -88.482 -0.840 1.00 15.88 C ATOM 244 CD2 LEU A 15 49.074 -86.020 -0.444 1.00 15.27 C ATOM 0 H LEU A 15 47.787 -87.144 2.771 1.00 8.29 H new ATOM 0 HA LEU A 15 49.109 -89.463 1.505 1.00 9.03 H new ATOM 0 HB2 LEU A 15 50.034 -86.557 1.810 1.00 11.08 H new ATOM 0 HB3 LEU A 15 51.154 -87.851 1.434 1.00 11.08 H new ATOM 0 HG LEU A 15 50.805 -87.312 -0.700 1.00 15.79 H new ATOM 0 HD11 LEU A 15 48.879 -88.277 -1.898 1.00 15.88 H new ATOM 0 HD12 LEU A 15 49.600 -89.411 -0.732 1.00 15.88 H new ATOM 0 HD13 LEU A 15 48.077 -88.579 -0.338 1.00 15.88 H new ATOM 0 HD21 LEU A 15 48.878 -85.896 -1.509 1.00 15.27 H new ATOM 0 HD22 LEU A 15 48.129 -86.044 0.098 1.00 15.27 H new ATOM 0 HD23 LEU A 15 49.677 -85.185 -0.086 1.00 15.27 H new ATOM 256 N GLU A 16 50.756 -89.727 3.503 1.00 11.04 N ATOM 257 CA GLU A 16 51.528 -89.961 4.718 1.00 11.50 C ATOM 258 C GLU A 16 52.902 -89.375 4.429 1.00 10.13 C ATOM 259 O GLU A 16 53.550 -89.759 3.455 1.00 9.83 O ATOM 260 CB GLU A 16 51.624 -91.455 5.043 1.00 17.22 C ATOM 261 CG GLU A 16 52.440 -91.650 6.322 1.00 23.33 C ATOM 262 CD GLU A 16 52.541 -93.136 6.652 1.00 26.99 C ATOM 263 OE1 GLU A 16 51.848 -93.912 6.016 1.00 28.86 O ATOM 264 OE2 GLU A 16 53.309 -93.474 7.538 1.00 28.90 O ATOM 0 H GLU A 16 50.964 -90.368 2.738 1.00 11.04 H new ATOM 0 HA GLU A 16 51.060 -89.500 5.588 1.00 11.50 H new ATOM 0 HB2 GLU A 16 50.626 -91.875 5.169 1.00 17.22 H new ATOM 0 HB3 GLU A 16 52.092 -91.988 4.216 1.00 17.22 H new ATOM 0 HG2 GLU A 16 53.437 -91.228 6.195 1.00 23.33 H new ATOM 0 HG3 GLU A 16 51.970 -91.116 7.148 1.00 23.33 H new ATOM 271 N VAL A 17 53.334 -88.418 5.244 1.00 8.99 N ATOM 272 CA VAL A 17 54.624 -87.762 5.023 1.00 8.85 C ATOM 273 C VAL A 17 55.359 -87.517 6.334 1.00 8.04 C ATOM 274 O VAL A 17 54.789 -87.623 7.420 1.00 8.99 O ATOM 275 CB VAL A 17 54.396 -86.409 4.344 1.00 9.78 C ATOM 276 CG1 VAL A 17 53.740 -86.601 2.975 1.00 12.05 C ATOM 277 CG2 VAL A 17 53.486 -85.558 5.234 1.00 10.54 C ATOM 0 H VAL A 17 52.818 -88.080 6.056 1.00 8.99 H new ATOM 0 HA VAL A 17 55.227 -88.419 4.397 1.00 8.85 H new ATOM 0 HB VAL A 17 55.355 -85.911 4.201 1.00 9.78 H new ATOM 0 HG11 VAL A 17 53.585 -85.629 2.506 1.00 12.05 H new ATOM 0 HG12 VAL A 17 54.387 -87.209 2.343 1.00 12.05 H new ATOM 0 HG13 VAL A 17 52.780 -87.101 3.099 1.00 12.05 H new ATOM 0 HG21 VAL A 17 53.316 -84.591 4.761 1.00 10.54 H new ATOM 0 HG22 VAL A 17 52.532 -86.067 5.372 1.00 10.54 H new ATOM 0 HG23 VAL A 17 53.961 -85.409 6.204 1.00 10.54 H new ATOM 287 N GLU A 18 56.624 -87.127 6.201 1.00 7.29 N ATOM 288 CA GLU A 18 57.461 -86.786 7.351 1.00 7.08 C ATOM 289 C GLU A 18 57.855 -85.309 7.208 1.00 6.45 C ATOM 290 O GLU A 18 57.956 -84.827 6.080 1.00 5.28 O ATOM 291 CB GLU A 18 58.712 -87.670 7.381 1.00 10.28 C ATOM 292 CG GLU A 18 58.312 -89.122 7.649 1.00 12.65 C ATOM 293 CD GLU A 18 57.948 -89.299 9.119 1.00 14.15 C ATOM 294 OE1 GLU A 18 58.847 -89.543 9.906 1.00 14.33 O ATOM 295 OE2 GLU A 18 56.775 -89.188 9.435 1.00 18.17 O ATOM 0 H GLU A 18 57.096 -87.038 5.301 1.00 7.29 H new ATOM 0 HA GLU A 18 56.919 -86.950 8.282 1.00 7.08 H new ATOM 0 HB2 GLU A 18 59.242 -87.598 6.431 1.00 10.28 H new ATOM 0 HB3 GLU A 18 59.396 -87.322 8.155 1.00 10.28 H new ATOM 0 HG2 GLU A 18 57.465 -89.397 7.020 1.00 12.65 H new ATOM 0 HG3 GLU A 18 59.133 -89.789 7.386 1.00 12.65 H new ATOM 302 N PRO A 19 58.064 -84.558 8.271 1.00 7.24 N ATOM 303 CA PRO A 19 58.424 -83.125 8.120 1.00 7.07 C ATOM 304 C PRO A 19 59.684 -82.906 7.286 1.00 6.65 C ATOM 305 O PRO A 19 59.874 -81.835 6.707 1.00 6.37 O ATOM 306 CB PRO A 19 58.607 -82.588 9.554 1.00 7.61 C ATOM 307 CG PRO A 19 57.903 -83.594 10.421 1.00 8.16 C ATOM 308 CD PRO A 19 57.990 -84.944 9.689 1.00 7.49 C ATOM 0 HA PRO A 19 57.640 -82.596 7.578 1.00 7.07 H new ATOM 0 HB2 PRO A 19 59.662 -82.506 9.816 1.00 7.61 H new ATOM 0 HB3 PRO A 19 58.173 -81.594 9.665 1.00 7.61 H new ATOM 0 HG2 PRO A 19 58.372 -83.655 11.403 1.00 8.16 H new ATOM 0 HG3 PRO A 19 56.864 -83.307 10.582 1.00 8.16 H new ATOM 0 HD2 PRO A 19 58.867 -85.512 9.997 1.00 7.49 H new ATOM 0 HD3 PRO A 19 57.119 -85.568 9.891 1.00 7.49 H new ATOM 316 N SER A 20 60.553 -83.915 7.243 1.00 6.80 N ATOM 317 CA SER A 20 61.803 -83.809 6.495 1.00 6.28 C ATOM 318 C SER A 20 61.616 -84.177 5.028 1.00 8.45 C ATOM 319 O SER A 20 62.563 -84.099 4.246 1.00 7.26 O ATOM 320 CB SER A 20 62.872 -84.701 7.126 1.00 8.57 C ATOM 321 OG SER A 20 64.158 -84.184 6.810 1.00 11.13 O ATOM 0 H SER A 20 60.415 -84.809 7.714 1.00 6.80 H new ATOM 0 HA SER A 20 62.126 -82.769 6.539 1.00 6.28 H new ATOM 0 HB2 SER A 20 62.738 -84.740 8.207 1.00 8.57 H new ATOM 0 HB3 SER A 20 62.776 -85.722 6.756 1.00 8.57 H new ATOM 0 HG SER A 20 64.194 -83.957 5.857 1.00 11.13 H new ATOM 327 N ASP A 21 60.400 -84.551 4.638 1.00 7.50 N ATOM 328 CA ASP A 21 60.148 -84.885 3.244 1.00 7.70 C ATOM 329 C ASP A 21 60.205 -83.600 2.443 1.00 7.08 C ATOM 330 O ASP A 21 59.755 -82.534 2.886 1.00 8.11 O ATOM 331 CB ASP A 21 58.769 -85.538 3.092 1.00 11.00 C ATOM 332 CG ASP A 21 58.819 -86.998 3.537 1.00 15.32 C ATOM 333 OD1 ASP A 21 59.912 -87.529 3.654 1.00 18.03 O ATOM 334 OD2 ASP A 21 57.761 -87.565 3.756 1.00 14.36 O ATOM 0 H ASP A 21 59.591 -84.629 5.254 1.00 7.50 H new ATOM 0 HA ASP A 21 60.896 -85.593 2.886 1.00 7.70 H new ATOM 0 HB2 ASP A 21 58.035 -84.995 3.687 1.00 11.00 H new ATOM 0 HB3 ASP A 21 58.444 -85.479 2.053 1.00 11.00 H new ATOM 339 N THR A 22 60.743 -83.735 1.232 1.00 5.37 N ATOM 340 CA THR A 22 60.845 -82.617 0.318 1.00 6.01 C ATOM 341 C THR A 22 59.559 -82.484 -0.484 1.00 8.01 C ATOM 342 O THR A 22 58.820 -83.446 -0.659 1.00 8.11 O ATOM 343 CB THR A 22 62.004 -82.809 -0.654 1.00 8.92 C ATOM 344 OG1 THR A 22 61.776 -83.969 -1.440 1.00 10.22 O ATOM 345 CG2 THR A 22 63.333 -82.948 0.092 1.00 9.65 C ATOM 0 H THR A 22 61.113 -84.613 0.868 1.00 5.37 H new ATOM 0 HA THR A 22 61.018 -81.718 0.909 1.00 6.01 H new ATOM 0 HB THR A 22 62.063 -81.930 -1.296 1.00 8.92 H new ATOM 0 HG1 THR A 22 62.520 -84.091 -2.066 1.00 10.22 H new ATOM 0 HG21 THR A 22 64.141 -83.084 -0.627 1.00 9.65 H new ATOM 0 HG22 THR A 22 63.517 -82.048 0.679 1.00 9.65 H new ATOM 0 HG23 THR A 22 63.289 -83.811 0.756 1.00 9.65 H new ATOM 353 N ILE A 23 59.320 -81.291 -0.989 1.00 8.32 N ATOM 354 CA ILE A 23 58.143 -81.032 -1.808 1.00 9.92 C ATOM 355 C ILE A 23 58.197 -81.901 -3.063 1.00 10.01 C ATOM 356 O ILE A 23 57.179 -82.439 -3.490 1.00 8.71 O ATOM 357 CB ILE A 23 58.088 -79.543 -2.149 1.00 10.78 C ATOM 358 CG1 ILE A 23 57.840 -78.721 -0.870 1.00 11.38 C ATOM 359 CG2 ILE A 23 56.993 -79.271 -3.183 1.00 10.90 C ATOM 360 CD1 ILE A 23 56.532 -79.130 -0.181 1.00 12.30 C ATOM 0 H ILE A 23 59.924 -80.481 -0.849 1.00 8.32 H new ATOM 0 HA ILE A 23 57.234 -81.288 -1.264 1.00 9.92 H new ATOM 0 HB ILE A 23 59.044 -79.244 -2.579 1.00 10.78 H new ATOM 0 HG12 ILE A 23 58.673 -78.859 -0.181 1.00 11.38 H new ATOM 0 HG13 ILE A 23 57.804 -77.661 -1.119 1.00 11.38 H new ATOM 0 HG21 ILE A 23 56.968 -78.206 -3.414 1.00 10.90 H new ATOM 0 HG22 ILE A 23 57.203 -79.835 -4.092 1.00 10.90 H new ATOM 0 HG23 ILE A 23 56.028 -79.578 -2.780 1.00 10.90 H new ATOM 0 HD11 ILE A 23 56.391 -78.529 0.717 1.00 12.30 H new ATOM 0 HD12 ILE A 23 55.696 -78.968 -0.862 1.00 12.30 H new ATOM 0 HD13 ILE A 23 56.579 -80.184 0.092 1.00 12.30 H new ATOM 372 N GLU A 24 59.390 -82.065 -3.634 1.00 9.54 N ATOM 373 CA GLU A 24 59.540 -82.912 -4.818 1.00 11.81 C ATOM 374 C GLU A 24 59.097 -84.325 -4.462 1.00 11.14 C ATOM 375 O GLU A 24 58.476 -85.011 -5.268 1.00 10.62 O ATOM 376 CB GLU A 24 60.998 -82.925 -5.283 1.00 19.24 C ATOM 377 CG GLU A 24 61.135 -83.753 -6.568 1.00 27.76 C ATOM 378 CD GLU A 24 61.174 -85.247 -6.249 1.00 32.92 C ATOM 379 OE1 GLU A 24 61.310 -85.587 -5.085 1.00 34.80 O ATOM 380 OE2 GLU A 24 61.066 -86.031 -7.178 1.00 36.51 O ATOM 0 H GLU A 24 60.252 -81.632 -3.304 1.00 9.54 H new ATOM 0 HA GLU A 24 58.926 -82.520 -5.629 1.00 11.81 H new ATOM 0 HB2 GLU A 24 61.340 -81.905 -5.460 1.00 19.24 H new ATOM 0 HB3 GLU A 24 61.633 -83.343 -4.502 1.00 19.24 H new ATOM 0 HG2 GLU A 24 60.299 -83.540 -7.234 1.00 27.76 H new ATOM 0 HG3 GLU A 24 62.044 -83.465 -7.096 1.00 27.76 H new ATOM 387 N ASN A 25 59.415 -84.748 -3.246 1.00 9.43 N ATOM 388 CA ASN A 25 59.021 -86.084 -2.807 1.00 10.96 C ATOM 389 C ASN A 25 57.497 -86.154 -2.708 1.00 9.68 C ATOM 390 O ASN A 25 56.889 -87.136 -3.125 1.00 9.33 O ATOM 391 CB ASN A 25 59.654 -86.428 -1.457 1.00 16.78 C ATOM 392 CG ASN A 25 59.225 -87.827 -1.025 1.00 22.31 C ATOM 393 OD1 ASN A 25 58.321 -87.974 -0.202 1.00 25.66 O ATOM 394 ND2 ASN A 25 59.823 -88.869 -1.536 1.00 24.70 N ATOM 0 H ASN A 25 59.933 -84.201 -2.558 1.00 9.43 H new ATOM 0 HA ASN A 25 59.375 -86.812 -3.537 1.00 10.96 H new ATOM 0 HB2 ASN A 25 60.740 -86.378 -1.531 1.00 16.78 H new ATOM 0 HB3 ASN A 25 59.352 -85.697 -0.707 1.00 16.78 H new ATOM 0 HD21 ASN A 25 59.542 -89.808 -1.254 1.00 24.70 H new ATOM 0 HD22 ASN A 25 60.572 -88.744 -2.218 1.00 24.70 H new ATOM 401 N VAL A 26 56.884 -85.101 -2.165 1.00 6.52 N ATOM 402 CA VAL A 26 55.428 -85.060 -2.037 1.00 5.53 C ATOM 403 C VAL A 26 54.783 -85.136 -3.421 1.00 4.42 C ATOM 404 O VAL A 26 53.824 -85.886 -3.620 1.00 3.40 O ATOM 405 CB VAL A 26 54.972 -83.791 -1.310 1.00 3.86 C ATOM 406 CG1 VAL A 26 53.445 -83.682 -1.362 1.00 7.25 C ATOM 407 CG2 VAL A 26 55.441 -83.829 0.147 1.00 8.12 C ATOM 0 H VAL A 26 57.367 -84.275 -1.811 1.00 6.52 H new ATOM 0 HA VAL A 26 55.112 -85.918 -1.444 1.00 5.53 H new ATOM 0 HB VAL A 26 55.409 -82.922 -1.802 1.00 3.86 H new ATOM 0 HG11 VAL A 26 53.127 -82.778 -0.843 1.00 7.25 H new ATOM 0 HG12 VAL A 26 53.119 -83.638 -2.401 1.00 7.25 H new ATOM 0 HG13 VAL A 26 53.001 -84.552 -0.879 1.00 7.25 H new ATOM 0 HG21 VAL A 26 55.114 -82.924 0.658 1.00 8.12 H new ATOM 0 HG22 VAL A 26 55.015 -84.701 0.644 1.00 8.12 H new ATOM 0 HG23 VAL A 26 56.529 -83.890 0.178 1.00 8.12 H new ATOM 417 N LYS A 27 55.315 -84.376 -4.392 1.00 2.64 N ATOM 418 CA LYS A 27 54.779 -84.395 -5.748 1.00 4.14 C ATOM 419 C LYS A 27 54.883 -85.811 -6.308 1.00 5.58 C ATOM 420 O LYS A 27 53.986 -86.285 -7.000 1.00 4.11 O ATOM 421 CB LYS A 27 55.588 -83.484 -6.679 1.00 3.97 C ATOM 422 CG LYS A 27 55.420 -81.986 -6.341 1.00 7.45 C ATOM 423 CD LYS A 27 55.450 -81.176 -7.657 1.00 9.02 C ATOM 424 CE LYS A 27 55.770 -79.700 -7.372 1.00 12.90 C ATOM 425 NZ LYS A 27 54.671 -79.100 -6.566 1.00 15.47 N ATOM 0 H LYS A 27 56.108 -83.749 -4.258 1.00 2.64 H new ATOM 0 HA LYS A 27 53.746 -84.051 -5.701 1.00 4.14 H new ATOM 0 HB2 LYS A 27 56.643 -83.751 -6.615 1.00 3.97 H new ATOM 0 HB3 LYS A 27 55.278 -83.657 -7.709 1.00 3.97 H new ATOM 0 HG2 LYS A 27 54.479 -81.820 -5.816 1.00 7.45 H new ATOM 0 HG3 LYS A 27 56.218 -81.657 -5.676 1.00 7.45 H new ATOM 0 HD2 LYS A 27 56.198 -81.593 -8.331 1.00 9.02 H new ATOM 0 HD3 LYS A 27 54.487 -81.255 -8.162 1.00 9.02 H new ATOM 0 HE2 LYS A 27 56.715 -79.619 -6.835 1.00 12.90 H new ATOM 0 HE3 LYS A 27 55.888 -79.155 -8.309 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 54.307 -78.255 -7.050 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 53.904 -79.793 -6.455 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 55.034 -78.832 -5.629 1.00 15.47 H new ATOM 439 N ALA A 28 56.001 -86.468 -6.011 1.00 6.61 N ATOM 440 CA ALA A 28 56.231 -87.819 -6.501 1.00 7.74 C ATOM 441 C ALA A 28 55.181 -88.776 -5.949 1.00 9.17 C ATOM 442 O ALA A 28 54.710 -89.665 -6.656 1.00 11.45 O ATOM 443 CB ALA A 28 57.638 -88.293 -6.132 1.00 7.68 C ATOM 0 H ALA A 28 56.755 -86.089 -5.438 1.00 6.61 H new ATOM 0 HA ALA A 28 56.147 -87.808 -7.588 1.00 7.74 H new ATOM 0 HB1 ALA A 28 57.791 -89.305 -6.507 1.00 7.68 H new ATOM 0 HB2 ALA A 28 58.375 -87.626 -6.578 1.00 7.68 H new ATOM 0 HB3 ALA A 28 57.751 -88.287 -5.048 1.00 7.68 H new ATOM 449 N LYS A 29 54.799 -88.576 -4.697 1.00 8.96 N ATOM 450 CA LYS A 29 53.780 -89.418 -4.086 1.00 7.90 C ATOM 451 C LYS A 29 52.442 -89.213 -4.797 1.00 6.92 C ATOM 452 O LYS A 29 51.715 -90.169 -5.051 1.00 6.87 O ATOM 453 CB LYS A 29 53.617 -89.072 -2.602 1.00 10.28 C ATOM 454 CG LYS A 29 54.849 -89.517 -1.811 1.00 14.94 C ATOM 455 CD LYS A 29 54.704 -89.052 -0.356 1.00 19.69 C ATOM 456 CE LYS A 29 55.802 -89.675 0.518 1.00 22.63 C ATOM 457 NZ LYS A 29 56.057 -88.790 1.690 1.00 24.98 N ATOM 0 H LYS A 29 55.173 -87.847 -4.089 1.00 8.96 H new ATOM 0 HA LYS A 29 54.092 -90.458 -4.179 1.00 7.90 H new ATOM 0 HB2 LYS A 29 53.472 -87.998 -2.487 1.00 10.28 H new ATOM 0 HB3 LYS A 29 52.727 -89.559 -2.204 1.00 10.28 H new ATOM 0 HG2 LYS A 29 54.951 -90.602 -1.851 1.00 14.94 H new ATOM 0 HG3 LYS A 29 55.752 -89.096 -2.253 1.00 14.94 H new ATOM 0 HD2 LYS A 29 54.765 -87.965 -0.307 1.00 19.69 H new ATOM 0 HD3 LYS A 29 53.723 -89.334 0.026 1.00 19.69 H new ATOM 0 HE2 LYS A 29 55.497 -90.666 0.855 1.00 22.63 H new ATOM 0 HE3 LYS A 29 56.716 -89.803 -0.062 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 56.978 -89.028 2.111 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 56.064 -87.797 1.380 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 55.307 -88.926 2.398 1.00 24.98 H new ATOM 471 N ILE A 30 52.148 -87.957 -5.164 1.00 4.57 N ATOM 472 CA ILE A 30 50.918 -87.640 -5.894 1.00 5.58 C ATOM 473 C ILE A 30 50.951 -88.298 -7.281 1.00 7.26 C ATOM 474 O ILE A 30 49.938 -88.815 -7.742 1.00 9.46 O ATOM 475 CB ILE A 30 50.729 -86.122 -5.995 1.00 5.36 C ATOM 476 CG1 ILE A 30 50.392 -85.596 -4.589 1.00 2.94 C ATOM 477 CG2 ILE A 30 49.581 -85.811 -6.969 1.00 2.78 C ATOM 478 CD1 ILE A 30 50.187 -84.080 -4.609 1.00 2.00 C ATOM 0 H ILE A 30 52.742 -87.151 -4.968 1.00 4.57 H new ATOM 0 HA ILE A 30 50.063 -88.040 -5.349 1.00 5.58 H new ATOM 0 HB ILE A 30 51.634 -85.643 -6.367 1.00 5.36 H new ATOM 0 HG12 ILE A 30 49.490 -86.084 -4.220 1.00 2.94 H new ATOM 0 HG13 ILE A 30 51.197 -85.849 -3.899 1.00 2.94 H new ATOM 0 HG21 ILE A 30 49.447 -84.732 -7.041 1.00 2.78 H new ATOM 0 HG22 ILE A 30 49.820 -86.213 -7.954 1.00 2.78 H new ATOM 0 HG23 ILE A 30 48.661 -86.268 -6.604 1.00 2.78 H new ATOM 0 HD11 ILE A 30 49.950 -83.732 -3.604 1.00 2.00 H new ATOM 0 HD12 ILE A 30 51.099 -83.594 -4.956 1.00 2.00 H new ATOM 0 HD13 ILE A 30 49.366 -83.833 -5.282 1.00 2.00 H new ATOM 490 N GLN A 31 52.111 -88.288 -7.939 1.00 7.06 N ATOM 491 CA GLN A 31 52.239 -88.906 -9.266 1.00 8.67 C ATOM 492 C GLN A 31 51.903 -90.390 -9.175 1.00 10.90 C ATOM 493 O GLN A 31 51.204 -90.942 -10.024 1.00 9.63 O ATOM 494 CB GLN A 31 53.682 -88.743 -9.758 1.00 9.12 C ATOM 495 CG GLN A 31 53.864 -89.441 -11.112 1.00 10.76 C ATOM 496 CD GLN A 31 55.271 -89.186 -11.642 1.00 13.78 C ATOM 497 OE1 GLN A 31 56.206 -89.004 -10.861 1.00 14.48 O ATOM 498 NE2 GLN A 31 55.484 -89.180 -12.930 1.00 14.76 N ATOM 0 H GLN A 31 52.968 -87.865 -7.583 1.00 7.06 H new ATOM 0 HA GLN A 31 51.553 -88.422 -9.961 1.00 8.67 H new ATOM 0 HB2 GLN A 31 53.924 -87.684 -9.851 1.00 9.12 H new ATOM 0 HB3 GLN A 31 54.372 -89.165 -9.028 1.00 9.12 H new ATOM 0 HG2 GLN A 31 53.695 -90.512 -11.004 1.00 10.76 H new ATOM 0 HG3 GLN A 31 53.125 -89.072 -11.824 1.00 10.76 H new ATOM 0 HE21 GLN A 31 54.709 -89.331 -13.576 1.00 14.76 H new ATOM 0 HE22 GLN A 31 56.425 -89.025 -13.291 1.00 14.76 H new ATOM 507 N ASP A 32 52.438 -91.020 -8.152 1.00 10.93 N ATOM 508 CA ASP A 32 52.224 -92.448 -7.966 1.00 14.01 C ATOM 509 C ASP A 32 50.739 -92.761 -7.793 1.00 14.04 C ATOM 510 O ASP A 32 50.249 -93.775 -8.288 1.00 13.39 O ATOM 511 CB ASP A 32 52.997 -92.931 -6.736 1.00 18.01 C ATOM 512 CG ASP A 32 52.781 -94.427 -6.538 1.00 24.33 C ATOM 513 OD1 ASP A 32 53.333 -95.193 -7.311 1.00 26.29 O ATOM 514 OD2 ASP A 32 52.069 -94.785 -5.614 1.00 25.17 O ATOM 0 H ASP A 32 53.019 -90.577 -7.441 1.00 10.93 H new ATOM 0 HA ASP A 32 52.585 -92.966 -8.854 1.00 14.01 H new ATOM 0 HB2 ASP A 32 54.060 -92.722 -6.859 1.00 18.01 H new ATOM 0 HB3 ASP A 32 52.665 -92.387 -5.851 1.00 18.01 H new ATOM 519 N LYS A 33 50.042 -91.910 -7.047 1.00 14.22 N ATOM 520 CA LYS A 33 48.623 -92.127 -6.761 1.00 14.00 C ATOM 521 C LYS A 33 47.680 -91.668 -7.886 1.00 12.37 C ATOM 522 O LYS A 33 46.650 -92.304 -8.114 1.00 12.17 O ATOM 523 CB LYS A 33 48.235 -91.373 -5.483 1.00 18.62 C ATOM 524 CG LYS A 33 49.147 -91.784 -4.295 1.00 24.00 C ATOM 525 CD LYS A 33 48.297 -92.126 -3.063 1.00 27.61 C ATOM 526 CE LYS A 33 49.210 -92.327 -1.853 1.00 27.64 C ATOM 527 NZ LYS A 33 48.381 -92.529 -0.631 1.00 30.06 N ATOM 0 H LYS A 33 50.433 -91.065 -6.629 1.00 14.22 H new ATOM 0 HA LYS A 33 48.504 -93.205 -6.653 1.00 14.00 H new ATOM 0 HB2 LYS A 33 48.314 -90.299 -5.652 1.00 18.62 H new ATOM 0 HB3 LYS A 33 47.194 -91.581 -5.236 1.00 18.62 H new ATOM 0 HG2 LYS A 33 49.755 -92.644 -4.575 1.00 24.00 H new ATOM 0 HG3 LYS A 33 49.834 -90.972 -4.057 1.00 24.00 H new ATOM 0 HD2 LYS A 33 47.585 -91.325 -2.865 1.00 27.61 H new ATOM 0 HD3 LYS A 33 47.717 -93.030 -3.248 1.00 27.61 H new ATOM 0 HE2 LYS A 33 49.858 -93.189 -2.012 1.00 27.64 H new ATOM 0 HE3 LYS A 33 49.859 -91.460 -1.726 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 49.003 -92.666 0.192 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 47.781 -91.694 -0.477 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 47.780 -93.369 -0.754 1.00 30.06 H new ATOM 541 N GLU A 34 47.967 -90.526 -8.519 1.00 10.11 N ATOM 542 CA GLU A 34 47.050 -89.963 -9.533 1.00 10.07 C ATOM 543 C GLU A 34 47.559 -89.970 -10.982 1.00 9.32 C ATOM 544 O GLU A 34 46.773 -89.806 -11.915 1.00 11.61 O ATOM 545 CB GLU A 34 46.718 -88.531 -9.096 1.00 14.77 C ATOM 546 CG GLU A 34 45.903 -88.585 -7.796 1.00 18.75 C ATOM 547 CD GLU A 34 44.504 -89.135 -8.064 1.00 22.28 C ATOM 548 OE1 GLU A 34 44.083 -89.096 -9.208 1.00 21.95 O ATOM 549 OE2 GLU A 34 43.873 -89.581 -7.120 1.00 25.19 O ATOM 0 H GLU A 34 48.811 -89.976 -8.356 1.00 10.11 H new ATOM 0 HA GLU A 34 46.177 -90.614 -9.565 1.00 10.07 H new ATOM 0 HB2 GLU A 34 47.635 -87.961 -8.943 1.00 14.77 H new ATOM 0 HB3 GLU A 34 46.152 -88.021 -9.875 1.00 14.77 H new ATOM 0 HG2 GLU A 34 46.413 -89.213 -7.066 1.00 18.75 H new ATOM 0 HG3 GLU A 34 45.831 -87.587 -7.363 1.00 18.75 H new ATOM 556 N GLY A 35 48.854 -90.195 -11.174 1.00 7.22 N ATOM 557 CA GLY A 35 49.414 -90.261 -12.529 1.00 6.29 C ATOM 558 C GLY A 35 49.717 -88.883 -13.133 1.00 6.93 C ATOM 559 O GLY A 35 49.990 -88.764 -14.328 1.00 7.41 O ATOM 0 H GLY A 35 49.531 -90.334 -10.424 1.00 7.22 H new ATOM 0 HA2 GLY A 35 50.332 -90.849 -12.506 1.00 6.29 H new ATOM 0 HA3 GLY A 35 48.714 -90.788 -13.178 1.00 6.29 H new ATOM 563 N ILE A 36 49.663 -87.853 -12.299 1.00 5.86 N ATOM 564 CA ILE A 36 49.930 -86.485 -12.758 1.00 6.07 C ATOM 565 C ILE A 36 51.444 -86.204 -12.704 1.00 6.36 C ATOM 566 O ILE A 36 52.019 -86.219 -11.615 1.00 6.18 O ATOM 567 CB ILE A 36 49.216 -85.494 -11.830 1.00 7.47 C ATOM 568 CG1 ILE A 36 47.727 -85.876 -11.664 1.00 8.52 C ATOM 569 CG2 ILE A 36 49.312 -84.083 -12.431 1.00 7.36 C ATOM 570 CD1 ILE A 36 47.199 -85.310 -10.341 1.00 9.49 C ATOM 0 H ILE A 36 49.439 -87.931 -11.307 1.00 5.86 H new ATOM 0 HA ILE A 36 49.570 -86.374 -13.781 1.00 6.07 H new ATOM 0 HB ILE A 36 49.695 -85.522 -10.851 1.00 7.47 H new ATOM 0 HG12 ILE A 36 47.145 -85.484 -12.498 1.00 8.52 H new ATOM 0 HG13 ILE A 36 47.615 -86.960 -11.679 1.00 8.52 H new ATOM 0 HG21 ILE A 36 48.806 -83.373 -11.776 1.00 7.36 H new ATOM 0 HG22 ILE A 36 50.360 -83.801 -12.531 1.00 7.36 H new ATOM 0 HG23 ILE A 36 48.838 -84.073 -13.412 1.00 7.36 H new ATOM 0 HD11 ILE A 36 46.149 -85.579 -10.223 1.00 9.49 H new ATOM 0 HD12 ILE A 36 47.775 -85.724 -9.513 1.00 9.49 H new ATOM 0 HD13 ILE A 36 47.297 -84.224 -10.345 1.00 9.49 H new ATOM 582 N PRO A 37 52.120 -85.942 -13.813 1.00 8.65 N ATOM 583 CA PRO A 37 53.590 -85.662 -13.773 1.00 9.18 C ATOM 584 C PRO A 37 53.930 -84.436 -12.887 1.00 9.85 C ATOM 585 O PRO A 37 53.265 -83.405 -12.985 1.00 8.51 O ATOM 586 CB PRO A 37 53.981 -85.417 -15.242 1.00 11.42 C ATOM 587 CG PRO A 37 52.866 -85.997 -16.055 1.00 9.27 C ATOM 588 CD PRO A 37 51.602 -85.897 -15.195 1.00 8.33 C ATOM 0 HA PRO A 37 54.142 -86.490 -13.329 1.00 9.18 H new ATOM 0 HB2 PRO A 37 54.101 -84.353 -15.444 1.00 11.42 H new ATOM 0 HB3 PRO A 37 54.931 -85.896 -15.480 1.00 11.42 H new ATOM 0 HG2 PRO A 37 52.743 -85.451 -16.990 1.00 9.27 H new ATOM 0 HG3 PRO A 37 53.076 -87.034 -16.317 1.00 9.27 H new ATOM 0 HD2 PRO A 37 51.057 -84.973 -15.389 1.00 8.33 H new ATOM 0 HD3 PRO A 37 50.916 -86.720 -15.393 1.00 8.33 H new ATOM 596 N PRO A 38 54.942 -84.524 -12.026 1.00 8.71 N ATOM 597 CA PRO A 38 55.343 -83.388 -11.124 1.00 9.08 C ATOM 598 C PRO A 38 55.510 -82.036 -11.836 1.00 9.28 C ATOM 599 O PRO A 38 55.320 -80.991 -11.213 1.00 6.50 O ATOM 600 CB PRO A 38 56.694 -83.833 -10.548 1.00 10.31 C ATOM 601 CG PRO A 38 56.657 -85.321 -10.574 1.00 10.81 C ATOM 602 CD PRO A 38 55.811 -85.707 -11.792 1.00 12.00 C ATOM 0 HA PRO A 38 54.564 -83.210 -10.383 1.00 9.08 H new ATOM 0 HB2 PRO A 38 57.522 -83.449 -11.144 1.00 10.31 H new ATOM 0 HB3 PRO A 38 56.832 -83.460 -9.533 1.00 10.31 H new ATOM 0 HG2 PRO A 38 57.663 -85.734 -10.652 1.00 10.81 H new ATOM 0 HG3 PRO A 38 56.221 -85.716 -9.656 1.00 10.81 H new ATOM 0 HD2 PRO A 38 56.436 -85.919 -12.659 1.00 12.00 H new ATOM 0 HD3 PRO A 38 55.220 -86.602 -11.598 1.00 12.00 H new ATOM 610 N ASP A 39 55.896 -82.035 -13.101 1.00 11.20 N ATOM 611 CA ASP A 39 56.111 -80.767 -13.802 1.00 14.96 C ATOM 612 C ASP A 39 54.791 -80.060 -14.109 1.00 13.99 C ATOM 613 O ASP A 39 54.780 -78.871 -14.427 1.00 13.75 O ATOM 614 CB ASP A 39 56.901 -81.020 -15.087 1.00 24.16 C ATOM 615 CG ASP A 39 56.037 -81.775 -16.092 1.00 31.06 C ATOM 616 OD1 ASP A 39 56.059 -82.995 -16.064 1.00 34.22 O ATOM 617 OD2 ASP A 39 55.368 -81.123 -16.875 1.00 35.55 O ATOM 0 H ASP A 39 56.065 -82.873 -13.658 1.00 11.20 H new ATOM 0 HA ASP A 39 56.684 -80.108 -13.150 1.00 14.96 H new ATOM 0 HB2 ASP A 39 57.227 -80.072 -15.515 1.00 24.16 H new ATOM 0 HB3 ASP A 39 57.800 -81.595 -14.864 1.00 24.16 H new ATOM 622 N GLN A 40 53.678 -80.794 -14.024 1.00 11.60 N ATOM 623 CA GLN A 40 52.357 -80.216 -14.309 1.00 10.76 C ATOM 624 C GLN A 40 51.610 -79.853 -13.028 1.00 8.01 C ATOM 625 O GLN A 40 50.465 -79.404 -13.077 1.00 8.96 O ATOM 626 CB GLN A 40 51.510 -81.196 -15.126 1.00 11.14 C ATOM 627 CG GLN A 40 52.101 -81.337 -16.526 1.00 14.85 C ATOM 628 CD GLN A 40 51.195 -82.208 -17.392 1.00 16.11 C ATOM 629 OE1 GLN A 40 50.097 -81.790 -17.760 1.00 20.52 O ATOM 630 NE2 GLN A 40 51.594 -83.400 -17.742 1.00 18.16 N ATOM 0 H GLN A 40 53.662 -81.780 -13.763 1.00 11.60 H new ATOM 0 HA GLN A 40 52.522 -79.304 -14.882 1.00 10.76 H new ATOM 0 HB2 GLN A 40 51.482 -82.167 -14.632 1.00 11.14 H new ATOM 0 HB3 GLN A 40 50.482 -80.840 -15.188 1.00 11.14 H new ATOM 0 HG2 GLN A 40 52.216 -80.353 -16.981 1.00 14.85 H new ATOM 0 HG3 GLN A 40 53.095 -81.779 -16.467 1.00 14.85 H new ATOM 0 HE21 GLN A 40 52.504 -83.744 -17.436 1.00 18.16 H new ATOM 0 HE22 GLN A 40 50.996 -83.988 -18.322 1.00 18.16 H new ATOM 639 N GLN A 41 52.244 -80.081 -11.886 1.00 6.52 N ATOM 640 CA GLN A 41 51.605 -79.807 -10.593 1.00 3.87 C ATOM 641 C GLN A 41 52.163 -78.578 -9.876 1.00 4.79 C ATOM 642 O GLN A 41 53.374 -78.365 -9.813 1.00 6.34 O ATOM 643 CB GLN A 41 51.799 -81.018 -9.682 1.00 4.20 C ATOM 644 CG GLN A 41 50.943 -82.179 -10.171 1.00 3.20 C ATOM 645 CD GLN A 41 51.110 -83.369 -9.232 1.00 4.89 C ATOM 646 OE1 GLN A 41 50.713 -83.304 -8.070 1.00 5.21 O ATOM 647 NE2 GLN A 41 51.674 -84.460 -9.671 1.00 7.13 N ATOM 0 H GLN A 41 53.192 -80.452 -11.821 1.00 6.52 H new ATOM 0 HA GLN A 41 50.554 -79.608 -10.802 1.00 3.87 H new ATOM 0 HB2 GLN A 41 52.849 -81.310 -9.669 1.00 4.20 H new ATOM 0 HB3 GLN A 41 51.527 -80.761 -8.658 1.00 4.20 H new ATOM 0 HG2 GLN A 41 49.896 -81.880 -10.212 1.00 3.20 H new ATOM 0 HG3 GLN A 41 51.235 -82.458 -11.183 1.00 3.20 H new ATOM 0 HE21 GLN A 41 52.003 -84.512 -10.635 1.00 7.13 H new ATOM 0 HE22 GLN A 41 51.786 -85.261 -9.050 1.00 7.13 H new ATOM 656 N ARG A 42 51.243 -77.814 -9.277 1.00 5.73 N ATOM 657 CA ARG A 42 51.586 -76.636 -8.479 1.00 6.97 C ATOM 658 C ARG A 42 50.938 -76.789 -7.102 1.00 7.15 C ATOM 659 O ARG A 42 49.722 -76.936 -7.002 1.00 7.33 O ATOM 660 CB ARG A 42 51.077 -75.342 -9.127 1.00 13.23 C ATOM 661 CG ARG A 42 51.988 -74.945 -10.285 1.00 21.27 C ATOM 662 CD ARG A 42 51.484 -73.635 -10.891 1.00 26.14 C ATOM 663 NE ARG A 42 52.337 -73.230 -12.003 1.00 32.26 N ATOM 664 CZ ARG A 42 52.318 -71.983 -12.467 1.00 34.32 C ATOM 665 NH1 ARG A 42 51.930 -71.004 -11.696 1.00 35.30 N ATOM 666 NH2 ARG A 42 52.689 -71.738 -13.693 1.00 36.39 N ATOM 0 H ARG A 42 50.241 -77.996 -9.333 1.00 5.73 H new ATOM 0 HA ARG A 42 52.671 -76.569 -8.405 1.00 6.97 H new ATOM 0 HB2 ARG A 42 50.058 -75.482 -9.487 1.00 13.23 H new ATOM 0 HB3 ARG A 42 51.046 -74.542 -8.387 1.00 13.23 H new ATOM 0 HG2 ARG A 42 53.013 -74.827 -9.934 1.00 21.27 H new ATOM 0 HG3 ARG A 42 51.999 -75.730 -11.041 1.00 21.27 H new ATOM 0 HD2 ARG A 42 50.458 -73.758 -11.237 1.00 26.14 H new ATOM 0 HD3 ARG A 42 51.473 -72.855 -10.130 1.00 26.14 H new ATOM 0 HE ARG A 42 52.959 -73.915 -12.432 1.00 32.26 H new ATOM 0 HH11 ARG A 42 51.641 -71.194 -10.737 1.00 35.30 H new ATOM 0 HH12 ARG A 42 51.916 -70.049 -12.053 1.00 35.30 H new ATOM 0 HH21 ARG A 42 52.994 -72.502 -14.296 1.00 36.39 H new ATOM 0 HH22 ARG A 42 52.674 -70.782 -14.049 1.00 36.39 H new ATOM 680 N LEU A 43 51.745 -76.767 -6.041 1.00 4.65 N ATOM 681 CA LEU A 43 51.236 -76.917 -4.672 1.00 3.51 C ATOM 682 C LEU A 43 51.248 -75.578 -3.943 1.00 5.56 C ATOM 683 O LEU A 43 52.252 -74.866 -3.936 1.00 4.19 O ATOM 684 CB LEU A 43 52.099 -77.942 -3.923 1.00 3.74 C ATOM 685 CG LEU A 43 51.950 -79.351 -4.514 1.00 6.32 C ATOM 686 CD1 LEU A 43 52.981 -80.271 -3.853 1.00 9.55 C ATOM 687 CD2 LEU A 43 50.539 -79.899 -4.237 1.00 6.41 C ATOM 0 H LEU A 43 52.756 -76.647 -6.101 1.00 4.65 H new ATOM 0 HA LEU A 43 50.205 -77.269 -4.710 1.00 3.51 H new ATOM 0 HB2 LEU A 43 53.145 -77.638 -3.967 1.00 3.74 H new ATOM 0 HB3 LEU A 43 51.815 -77.957 -2.871 1.00 3.74 H new ATOM 0 HG LEU A 43 52.109 -79.309 -5.592 1.00 6.32 H new ATOM 0 HD11 LEU A 43 52.887 -81.277 -4.263 1.00 9.55 H new ATOM 0 HD12 LEU A 43 53.984 -79.892 -4.047 1.00 9.55 H new ATOM 0 HD13 LEU A 43 52.806 -80.300 -2.778 1.00 9.55 H new ATOM 0 HD21 LEU A 43 50.447 -80.899 -4.662 1.00 6.41 H new ATOM 0 HD22 LEU A 43 50.371 -79.945 -3.161 1.00 6.41 H new ATOM 0 HD23 LEU A 43 49.798 -79.242 -4.692 1.00 6.41 H new ATOM 699 N ILE A 44 50.110 -75.247 -3.331 1.00 4.58 N ATOM 700 CA ILE A 44 49.959 -73.990 -2.593 1.00 5.55 C ATOM 701 C ILE A 44 49.534 -74.260 -1.149 1.00 5.46 C ATOM 702 O ILE A 44 48.658 -75.088 -0.886 1.00 6.04 O ATOM 703 CB ILE A 44 48.894 -73.100 -3.287 1.00 6.80 C ATOM 704 CG1 ILE A 44 49.499 -72.341 -4.503 1.00 10.31 C ATOM 705 CG2 ILE A 44 48.321 -72.064 -2.295 1.00 7.39 C ATOM 706 CD1 ILE A 44 49.337 -73.137 -5.801 1.00 13.90 C ATOM 0 H ILE A 44 49.276 -75.834 -3.332 1.00 4.58 H new ATOM 0 HA ILE A 44 50.920 -73.476 -2.586 1.00 5.55 H new ATOM 0 HB ILE A 44 48.099 -73.760 -3.634 1.00 6.80 H new ATOM 0 HG12 ILE A 44 49.012 -71.372 -4.607 1.00 10.31 H new ATOM 0 HG13 ILE A 44 50.557 -72.148 -4.323 1.00 10.31 H new ATOM 0 HG21 ILE A 44 47.576 -71.450 -2.801 1.00 7.39 H new ATOM 0 HG22 ILE A 44 47.856 -72.582 -1.456 1.00 7.39 H new ATOM 0 HG23 ILE A 44 49.126 -71.428 -1.927 1.00 7.39 H new ATOM 0 HD11 ILE A 44 49.771 -72.576 -6.629 1.00 13.90 H new ATOM 0 HD12 ILE A 44 49.847 -74.096 -5.706 1.00 13.90 H new ATOM 0 HD13 ILE A 44 48.278 -73.307 -5.994 1.00 13.90 H new ATOM 718 N PHE A 45 50.141 -73.514 -0.227 1.00 6.75 N ATOM 719 CA PHE A 45 49.812 -73.618 1.192 1.00 4.70 C ATOM 720 C PHE A 45 49.736 -72.220 1.788 1.00 6.34 C ATOM 721 O PHE A 45 50.674 -71.431 1.670 1.00 5.45 O ATOM 722 CB PHE A 45 50.856 -74.448 1.938 1.00 5.51 C ATOM 723 CG PHE A 45 50.506 -74.495 3.408 1.00 5.98 C ATOM 724 CD1 PHE A 45 49.438 -75.287 3.849 1.00 6.86 C ATOM 725 CD2 PHE A 45 51.250 -73.749 4.331 1.00 5.87 C ATOM 726 CE1 PHE A 45 49.115 -75.332 5.210 1.00 6.68 C ATOM 727 CE2 PHE A 45 50.927 -73.794 5.692 1.00 6.64 C ATOM 728 CZ PHE A 45 49.859 -74.586 6.132 1.00 6.84 C ATOM 0 H PHE A 45 50.866 -72.829 -0.440 1.00 6.75 H new ATOM 0 HA PHE A 45 48.849 -74.119 1.295 1.00 4.70 H new ATOM 0 HB2 PHE A 45 50.893 -75.458 1.530 1.00 5.51 H new ATOM 0 HB3 PHE A 45 51.846 -74.013 1.803 1.00 5.51 H new ATOM 0 HD1 PHE A 45 48.864 -75.863 3.139 1.00 6.86 H new ATOM 0 HD2 PHE A 45 52.074 -73.138 3.992 1.00 5.87 H new ATOM 0 HE1 PHE A 45 48.291 -75.943 5.549 1.00 6.68 H new ATOM 0 HE2 PHE A 45 51.501 -73.218 6.403 1.00 6.64 H new ATOM 0 HZ PHE A 45 49.609 -74.621 7.182 1.00 6.84 H new ATOM 738 N ALA A 46 48.617 -71.922 2.428 1.00 6.53 N ATOM 739 CA ALA A 46 48.414 -70.622 3.046 1.00 7.15 C ATOM 740 C ALA A 46 48.746 -69.483 2.083 1.00 9.00 C ATOM 741 O ALA A 46 49.261 -68.442 2.490 1.00 11.15 O ATOM 742 CB ALA A 46 49.255 -70.523 4.321 1.00 8.99 C ATOM 0 H ALA A 46 47.833 -72.566 2.533 1.00 6.53 H new ATOM 0 HA ALA A 46 47.360 -70.524 3.305 1.00 7.15 H new ATOM 0 HB1 ALA A 46 49.102 -69.548 4.783 1.00 8.99 H new ATOM 0 HB2 ALA A 46 48.954 -71.306 5.017 1.00 8.99 H new ATOM 0 HB3 ALA A 46 50.309 -70.645 4.072 1.00 8.99 H new ATOM 748 N GLY A 47 48.389 -69.668 0.809 1.00 9.35 N ATOM 749 CA GLY A 47 48.593 -68.623 -0.197 1.00 11.68 C ATOM 750 C GLY A 47 49.996 -68.595 -0.814 1.00 11.14 C ATOM 751 O GLY A 47 50.270 -67.741 -1.658 1.00 13.93 O ATOM 0 H GLY A 47 47.962 -70.523 0.453 1.00 9.35 H new ATOM 0 HA2 GLY A 47 47.862 -68.758 -0.995 1.00 11.68 H new ATOM 0 HA3 GLY A 47 48.392 -67.654 0.259 1.00 11.68 H new ATOM 755 N LYS A 48 50.897 -69.496 -0.401 1.00 10.47 N ATOM 756 CA LYS A 48 52.269 -69.505 -0.942 1.00 8.82 C ATOM 757 C LYS A 48 52.539 -70.749 -1.792 1.00 7.68 C ATOM 758 O LYS A 48 52.165 -71.859 -1.419 1.00 6.47 O ATOM 759 CB LYS A 48 53.276 -69.501 0.208 1.00 9.74 C ATOM 760 CG LYS A 48 53.096 -68.253 1.076 1.00 14.14 C ATOM 761 CD LYS A 48 54.102 -68.293 2.230 1.00 16.32 C ATOM 762 CE LYS A 48 53.948 -67.041 3.099 1.00 20.04 C ATOM 763 NZ LYS A 48 53.858 -65.842 2.218 1.00 23.92 N ATOM 0 H LYS A 48 50.709 -70.218 0.294 1.00 10.47 H new ATOM 0 HA LYS A 48 52.374 -68.617 -1.565 1.00 8.82 H new ATOM 0 HB2 LYS A 48 53.145 -70.396 0.816 1.00 9.74 H new ATOM 0 HB3 LYS A 48 54.291 -69.531 -0.189 1.00 9.74 H new ATOM 0 HG2 LYS A 48 53.246 -67.354 0.478 1.00 14.14 H new ATOM 0 HG3 LYS A 48 52.079 -68.210 1.466 1.00 14.14 H new ATOM 0 HD2 LYS A 48 53.942 -69.187 2.833 1.00 16.32 H new ATOM 0 HD3 LYS A 48 55.117 -68.351 1.837 1.00 16.32 H new ATOM 0 HE2 LYS A 48 53.054 -67.121 3.718 1.00 20.04 H new ATOM 0 HE3 LYS A 48 54.797 -66.947 3.776 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 54.125 -64.994 2.758 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 54.503 -65.956 1.410 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 52.883 -65.739 1.871 1.00 23.92 H new ATOM 777 N GLN A 49 53.228 -70.553 -2.919 1.00 8.89 N ATOM 778 CA GLN A 49 53.584 -71.671 -3.794 1.00 7.18 C ATOM 779 C GLN A 49 54.800 -72.364 -3.183 1.00 8.23 C ATOM 780 O GLN A 49 55.784 -71.709 -2.838 1.00 9.70 O ATOM 781 CB GLN A 49 53.877 -71.134 -5.197 1.00 11.67 C ATOM 782 CG GLN A 49 54.008 -72.292 -6.189 1.00 15.82 C ATOM 783 CD GLN A 49 54.128 -71.750 -7.609 1.00 20.21 C ATOM 784 OE1 GLN A 49 54.881 -70.807 -7.853 1.00 23.23 O ATOM 785 NE2 GLN A 49 53.425 -72.292 -8.566 1.00 20.67 N ATOM 0 H GLN A 49 53.547 -69.640 -3.244 1.00 8.89 H new ATOM 0 HA GLN A 49 52.772 -72.392 -3.883 1.00 7.18 H new ATOM 0 HB2 GLN A 49 53.077 -70.464 -5.512 1.00 11.67 H new ATOM 0 HB3 GLN A 49 54.797 -70.549 -5.186 1.00 11.67 H new ATOM 0 HG2 GLN A 49 54.884 -72.893 -5.945 1.00 15.82 H new ATOM 0 HG3 GLN A 49 53.140 -72.947 -6.113 1.00 15.82 H new ATOM 0 HE21 GLN A 49 52.802 -73.073 -8.361 1.00 20.67 H new ATOM 0 HE22 GLN A 49 53.499 -71.934 -9.518 1.00 20.67 H new ATOM 794 N LEU A 50 54.727 -73.684 -3.032 1.00 6.51 N ATOM 795 CA LEU A 50 55.829 -74.441 -2.437 1.00 7.41 C ATOM 796 C LEU A 50 56.867 -74.848 -3.487 1.00 8.27 C ATOM 797 O LEU A 50 56.517 -75.271 -4.589 1.00 8.34 O ATOM 798 CB LEU A 50 55.278 -75.692 -1.755 1.00 7.13 C ATOM 799 CG LEU A 50 54.135 -75.312 -0.810 1.00 7.53 C ATOM 800 CD1 LEU A 50 53.548 -76.585 -0.192 1.00 8.14 C ATOM 801 CD2 LEU A 50 54.658 -74.388 0.300 1.00 9.11 C ATOM 0 H LEU A 50 53.925 -74.249 -3.310 1.00 6.51 H new ATOM 0 HA LEU A 50 56.322 -73.799 -1.707 1.00 7.41 H new ATOM 0 HB2 LEU A 50 54.921 -76.398 -2.505 1.00 7.13 H new ATOM 0 HB3 LEU A 50 56.071 -76.192 -1.198 1.00 7.13 H new ATOM 0 HG LEU A 50 53.361 -74.787 -1.370 1.00 7.53 H new ATOM 0 HD11 LEU A 50 52.733 -76.320 0.482 1.00 8.14 H new ATOM 0 HD12 LEU A 50 53.169 -77.232 -0.983 1.00 8.14 H new ATOM 0 HD13 LEU A 50 54.324 -77.110 0.365 1.00 8.14 H new ATOM 0 HD21 LEU A 50 53.839 -74.122 0.968 1.00 9.11 H new ATOM 0 HD22 LEU A 50 55.435 -74.902 0.865 1.00 9.11 H new ATOM 0 HD23 LEU A 50 55.072 -73.483 -0.145 1.00 9.11 H new ATOM 813 N GLU A 51 58.153 -74.702 -3.135 1.00 9.43 N ATOM 814 CA GLU A 51 59.243 -75.045 -4.064 1.00 11.90 C ATOM 815 C GLU A 51 59.711 -76.493 -3.894 1.00 11.49 C ATOM 816 O GLU A 51 59.645 -77.056 -2.805 1.00 9.88 O ATOM 817 CB GLU A 51 60.426 -74.095 -3.872 1.00 16.56 C ATOM 818 CG GLU A 51 60.052 -72.701 -4.378 1.00 26.06 C ATOM 819 CD GLU A 51 61.226 -71.746 -4.191 1.00 29.86 C ATOM 820 OE1 GLU A 51 62.253 -72.191 -3.704 1.00 32.13 O ATOM 821 OE2 GLU A 51 61.083 -70.586 -4.539 1.00 33.44 O ATOM 0 H GLU A 51 58.462 -74.354 -2.227 1.00 9.43 H new ATOM 0 HA GLU A 51 58.848 -74.938 -5.074 1.00 11.90 H new ATOM 0 HB2 GLU A 51 60.701 -74.049 -2.818 1.00 16.56 H new ATOM 0 HB3 GLU A 51 61.296 -74.468 -4.412 1.00 16.56 H new ATOM 0 HG2 GLU A 51 59.776 -72.749 -5.431 1.00 26.06 H new ATOM 0 HG3 GLU A 51 59.181 -72.330 -3.837 1.00 26.06 H new ATOM 828 N ASP A 52 60.161 -77.084 -5.010 1.00 12.71 N ATOM 829 CA ASP A 52 60.614 -78.481 -5.021 1.00 16.56 C ATOM 830 C ASP A 52 61.891 -78.726 -4.197 1.00 15.83 C ATOM 831 O ASP A 52 62.153 -79.860 -3.797 1.00 17.21 O ATOM 832 CB ASP A 52 60.840 -78.930 -6.467 1.00 21.05 C ATOM 833 CG ASP A 52 59.506 -79.069 -7.190 1.00 25.12 C ATOM 834 OD1 ASP A 52 58.943 -80.149 -7.141 1.00 28.37 O ATOM 835 OD2 ASP A 52 59.070 -78.096 -7.783 1.00 25.82 O ATOM 0 H ASP A 52 60.221 -76.617 -5.915 1.00 12.71 H new ATOM 0 HA ASP A 52 59.827 -79.068 -4.548 1.00 16.56 H new ATOM 0 HB2 ASP A 52 61.469 -78.207 -6.986 1.00 21.05 H new ATOM 0 HB3 ASP A 52 61.370 -79.882 -6.481 1.00 21.05 H new ATOM 840 N GLY A 53 62.694 -77.692 -3.957 1.00 15.00 N ATOM 841 CA GLY A 53 63.947 -77.860 -3.195 1.00 11.77 C ATOM 842 C GLY A 53 63.780 -77.618 -1.686 1.00 11.10 C ATOM 843 O GLY A 53 64.761 -77.680 -0.944 1.00 11.25 O ATOM 0 H GLY A 53 62.511 -76.739 -4.270 1.00 15.00 H new ATOM 0 HA2 GLY A 53 64.328 -78.869 -3.354 1.00 11.77 H new ATOM 0 HA3 GLY A 53 64.696 -77.171 -3.585 1.00 11.77 H new ATOM 847 N ARG A 54 62.563 -77.355 -1.231 1.00 8.53 N ATOM 848 CA ARG A 54 62.322 -77.120 0.211 1.00 9.05 C ATOM 849 C ARG A 54 61.534 -78.279 0.848 1.00 8.96 C ATOM 850 O ARG A 54 60.952 -79.103 0.143 1.00 11.60 O ATOM 851 CB ARG A 54 61.528 -75.828 0.379 1.00 7.97 C ATOM 852 CG ARG A 54 62.312 -74.597 -0.106 1.00 9.62 C ATOM 853 CD ARG A 54 63.653 -74.466 0.623 1.00 12.20 C ATOM 854 NE ARG A 54 64.167 -73.109 0.480 1.00 18.23 N ATOM 855 CZ ARG A 54 65.067 -72.619 1.327 1.00 22.08 C ATOM 856 NH1 ARG A 54 66.030 -73.380 1.772 1.00 23.38 N ATOM 857 NH2 ARG A 54 64.985 -71.375 1.714 1.00 25.50 N ATOM 0 H ARG A 54 61.731 -77.297 -1.818 1.00 8.53 H new ATOM 0 HA ARG A 54 63.288 -77.048 0.711 1.00 9.05 H new ATOM 0 HB2 ARG A 54 60.593 -75.903 -0.176 1.00 7.97 H new ATOM 0 HB3 ARG A 54 61.265 -75.699 1.429 1.00 7.97 H new ATOM 0 HG2 ARG A 54 62.486 -74.674 -1.179 1.00 9.62 H new ATOM 0 HG3 ARG A 54 61.718 -73.698 0.057 1.00 9.62 H new ATOM 0 HD2 ARG A 54 63.528 -74.707 1.679 1.00 12.20 H new ATOM 0 HD3 ARG A 54 64.369 -75.180 0.216 1.00 12.20 H new ATOM 0 HE ARG A 54 63.830 -72.524 -0.285 1.00 18.23 H new ATOM 0 HH11 ARG A 54 66.093 -74.352 1.470 1.00 23.38 H new ATOM 0 HH12 ARG A 54 66.720 -73.002 2.422 1.00 23.38 H new ATOM 0 HH21 ARG A 54 64.232 -70.781 1.367 1.00 25.50 H new ATOM 0 HH22 ARG A 54 65.674 -70.997 2.364 1.00 25.50 H new ATOM 871 N THR A 55 61.517 -78.328 2.200 1.00 9.05 N ATOM 872 CA THR A 55 60.787 -79.383 2.934 1.00 9.03 C ATOM 873 C THR A 55 59.516 -78.845 3.590 1.00 8.15 C ATOM 874 O THR A 55 59.318 -77.638 3.715 1.00 5.91 O ATOM 875 CB THR A 55 61.625 -79.993 4.067 1.00 11.15 C ATOM 876 OG1 THR A 55 61.923 -78.996 5.035 1.00 11.95 O ATOM 877 CG2 THR A 55 62.927 -80.581 3.513 1.00 11.71 C ATOM 0 H THR A 55 61.996 -77.655 2.799 1.00 9.05 H new ATOM 0 HA THR A 55 60.553 -80.135 2.180 1.00 9.03 H new ATOM 0 HB THR A 55 61.051 -80.793 4.535 1.00 11.15 H new ATOM 0 HG1 THR A 55 61.573 -79.272 5.908 1.00 11.95 H new ATOM 0 HG21 THR A 55 63.509 -81.009 4.329 1.00 11.71 H new ATOM 0 HG22 THR A 55 62.694 -81.359 2.786 1.00 11.71 H new ATOM 0 HG23 THR A 55 63.505 -79.794 3.029 1.00 11.71 H new ATOM 885 N LEU A 56 58.674 -79.782 4.034 1.00 6.91 N ATOM 886 CA LEU A 56 57.426 -79.421 4.718 1.00 8.29 C ATOM 887 C LEU A 56 57.713 -78.611 5.982 1.00 8.05 C ATOM 888 O LEU A 56 57.013 -77.638 6.264 1.00 10.17 O ATOM 889 CB LEU A 56 56.634 -80.675 5.120 1.00 6.60 C ATOM 890 CG LEU A 56 56.240 -81.500 3.890 1.00 7.73 C ATOM 891 CD1 LEU A 56 55.629 -82.822 4.361 1.00 9.85 C ATOM 892 CD2 LEU A 56 55.202 -80.744 3.047 1.00 8.64 C ATOM 0 H LEU A 56 58.829 -80.785 3.935 1.00 6.91 H new ATOM 0 HA LEU A 56 56.840 -78.824 4.019 1.00 8.29 H new ATOM 0 HB2 LEU A 56 57.234 -81.286 5.794 1.00 6.60 H new ATOM 0 HB3 LEU A 56 55.738 -80.382 5.667 1.00 6.60 H new ATOM 0 HG LEU A 56 57.126 -81.681 3.282 1.00 7.73 H new ATOM 0 HD11 LEU A 56 55.344 -83.420 3.495 1.00 9.85 H new ATOM 0 HD12 LEU A 56 56.361 -83.370 4.955 1.00 9.85 H new ATOM 0 HD13 LEU A 56 54.747 -82.619 4.968 1.00 9.85 H new ATOM 0 HD21 LEU A 56 54.933 -81.344 2.177 1.00 8.64 H new ATOM 0 HD22 LEU A 56 54.312 -80.557 3.648 1.00 8.64 H new ATOM 0 HD23 LEU A 56 55.623 -79.795 2.717 1.00 8.64 H new ATOM 904 N SER A 57 58.722 -79.017 6.767 1.00 8.92 N ATOM 905 CA SER A 57 59.016 -78.295 8.005 1.00 9.00 C ATOM 906 C SER A 57 59.407 -76.843 7.740 1.00 9.44 C ATOM 907 O SER A 57 59.162 -75.967 8.569 1.00 10.91 O ATOM 908 CB SER A 57 60.112 -78.982 8.820 1.00 10.32 C ATOM 909 OG SER A 57 61.317 -78.988 8.064 1.00 13.59 O ATOM 0 H SER A 57 59.328 -79.814 6.573 1.00 8.92 H new ATOM 0 HA SER A 57 58.094 -78.305 8.586 1.00 9.00 H new ATOM 0 HB2 SER A 57 60.263 -78.459 9.764 1.00 10.32 H new ATOM 0 HB3 SER A 57 59.816 -80.002 9.064 1.00 10.32 H new ATOM 0 HG SER A 57 62.025 -79.426 8.581 1.00 13.59 H new ATOM 915 N ASP A 58 60.015 -76.593 6.595 1.00 9.11 N ATOM 916 CA ASP A 58 60.431 -75.238 6.254 1.00 7.91 C ATOM 917 C ASP A 58 59.216 -74.318 6.159 1.00 9.12 C ATOM 918 O ASP A 58 59.315 -73.116 6.407 1.00 8.61 O ATOM 919 CB ASP A 58 61.178 -75.240 4.918 1.00 8.41 C ATOM 920 CG ASP A 58 62.499 -75.989 5.057 1.00 11.50 C ATOM 921 OD1 ASP A 58 63.034 -76.008 6.153 1.00 10.05 O ATOM 922 OD2 ASP A 58 62.956 -76.534 4.066 1.00 11.70 O ATOM 0 H ASP A 58 60.231 -77.298 5.891 1.00 9.11 H new ATOM 0 HA ASP A 58 61.094 -74.871 7.038 1.00 7.91 H new ATOM 0 HB2 ASP A 58 60.564 -75.710 4.150 1.00 8.41 H new ATOM 0 HB3 ASP A 58 61.364 -74.216 4.595 1.00 8.41 H new ATOM 927 N TYR A 59 58.066 -74.891 5.796 1.00 7.97 N ATOM 928 CA TYR A 59 56.827 -74.116 5.667 1.00 8.45 C ATOM 929 C TYR A 59 55.934 -74.272 6.897 1.00 10.98 C ATOM 930 O TYR A 59 54.758 -73.909 6.867 1.00 12.95 O ATOM 931 CB TYR A 59 56.042 -74.559 4.435 1.00 7.94 C ATOM 932 CG TYR A 59 56.778 -74.121 3.195 1.00 6.91 C ATOM 933 CD1 TYR A 59 56.775 -72.772 2.821 1.00 4.59 C ATOM 934 CD2 TYR A 59 57.459 -75.061 2.418 1.00 6.98 C ATOM 935 CE1 TYR A 59 57.454 -72.364 1.667 1.00 5.39 C ATOM 936 CE2 TYR A 59 58.136 -74.654 1.267 1.00 6.52 C ATOM 937 CZ TYR A 59 58.135 -73.306 0.889 1.00 6.76 C ATOM 938 OH TYR A 59 58.804 -72.906 -0.250 1.00 7.63 O ATOM 0 H TYR A 59 57.966 -75.884 5.587 1.00 7.97 H new ATOM 0 HA TYR A 59 57.116 -73.070 5.569 1.00 8.45 H new ATOM 0 HB2 TYR A 59 55.920 -75.642 4.437 1.00 7.94 H new ATOM 0 HB3 TYR A 59 55.042 -74.126 4.451 1.00 7.94 H new ATOM 0 HD1 TYR A 59 56.249 -72.046 3.423 1.00 4.59 H new ATOM 0 HD2 TYR A 59 57.462 -76.102 2.707 1.00 6.98 H new ATOM 0 HE1 TYR A 59 57.452 -71.323 1.378 1.00 5.39 H new ATOM 0 HE2 TYR A 59 58.662 -75.381 0.666 1.00 6.52 H new ATOM 0 HH TYR A 59 59.413 -73.618 -0.539 1.00 7.63 H new ATOM 948 N ASN A 60 56.497 -74.807 7.983 1.00 12.38 N ATOM 949 CA ASN A 60 55.771 -75.010 9.232 1.00 13.94 C ATOM 950 C ASN A 60 54.440 -75.725 9.014 1.00 14.16 C ATOM 951 O ASN A 60 53.443 -75.403 9.662 1.00 14.26 O ATOM 952 CB ASN A 60 55.530 -73.675 9.939 1.00 19.23 C ATOM 953 CG ASN A 60 56.846 -73.122 10.473 1.00 22.65 C ATOM 954 OD1 ASN A 60 57.318 -73.550 11.526 1.00 25.45 O ATOM 955 ND2 ASN A 60 57.470 -72.189 9.807 1.00 24.09 N ATOM 0 H ASN A 60 57.470 -75.111 8.018 1.00 12.38 H new ATOM 0 HA ASN A 60 56.394 -75.646 9.861 1.00 13.94 H new ATOM 0 HB2 ASN A 60 55.082 -72.963 9.246 1.00 19.23 H new ATOM 0 HB3 ASN A 60 54.824 -73.810 10.758 1.00 19.23 H new ATOM 0 HD21 ASN A 60 58.351 -71.813 10.159 1.00 24.09 H new ATOM 0 HD22 ASN A 60 57.077 -71.836 8.935 1.00 24.09 H new ATOM 962 N ILE A 61 54.431 -76.714 8.125 1.00 11.08 N ATOM 963 CA ILE A 61 53.211 -77.480 7.872 1.00 11.78 C ATOM 964 C ILE A 61 53.084 -78.540 8.964 1.00 13.74 C ATOM 965 O ILE A 61 54.016 -79.308 9.201 1.00 14.60 O ATOM 966 CB ILE A 61 53.269 -78.091 6.465 1.00 11.80 C ATOM 967 CG1 ILE A 61 53.270 -76.953 5.439 1.00 11.56 C ATOM 968 CG2 ILE A 61 52.047 -78.979 6.230 1.00 13.29 C ATOM 969 CD1 ILE A 61 53.518 -77.497 4.029 1.00 11.42 C ATOM 0 H ILE A 61 55.240 -77.002 7.575 1.00 11.08 H new ATOM 0 HA ILE A 61 52.327 -76.843 7.904 1.00 11.78 H new ATOM 0 HB ILE A 61 54.171 -78.695 6.364 1.00 11.80 H new ATOM 0 HG12 ILE A 61 52.315 -76.428 5.469 1.00 11.56 H new ATOM 0 HG13 ILE A 61 54.041 -76.226 5.695 1.00 11.56 H new ATOM 0 HG21 ILE A 61 52.096 -79.408 5.229 1.00 13.29 H new ATOM 0 HG22 ILE A 61 52.032 -79.781 6.969 1.00 13.29 H new ATOM 0 HG23 ILE A 61 51.140 -78.382 6.324 1.00 13.29 H new ATOM 0 HD11 ILE A 61 53.515 -76.673 3.315 1.00 11.42 H new ATOM 0 HD12 ILE A 61 54.484 -78.000 3.998 1.00 11.42 H new ATOM 0 HD13 ILE A 61 52.731 -78.205 3.769 1.00 11.42 H new ATOM 981 N GLN A 62 51.941 -78.548 9.667 1.00 13.97 N ATOM 982 CA GLN A 62 51.708 -79.478 10.781 1.00 15.52 C ATOM 983 C GLN A 62 50.686 -80.560 10.425 1.00 13.94 C ATOM 984 O GLN A 62 50.033 -80.509 9.383 1.00 12.15 O ATOM 985 CB GLN A 62 51.204 -78.675 11.980 1.00 19.53 C ATOM 986 CG GLN A 62 52.294 -77.709 12.449 1.00 26.38 C ATOM 987 CD GLN A 62 53.472 -78.487 13.026 1.00 30.61 C ATOM 988 OE1 GLN A 62 54.592 -78.380 12.527 1.00 33.23 O ATOM 989 NE2 GLN A 62 53.285 -79.269 14.055 1.00 32.71 N ATOM 0 H GLN A 62 51.161 -77.918 9.482 1.00 13.97 H new ATOM 0 HA GLN A 62 52.646 -79.982 11.012 1.00 15.52 H new ATOM 0 HB2 GLN A 62 50.306 -78.121 11.707 1.00 19.53 H new ATOM 0 HB3 GLN A 62 50.928 -79.349 12.791 1.00 19.53 H new ATOM 0 HG2 GLN A 62 52.629 -77.093 11.614 1.00 26.38 H new ATOM 0 HG3 GLN A 62 51.891 -77.032 13.203 1.00 26.38 H new ATOM 0 HE21 GLN A 62 52.356 -79.356 14.467 1.00 32.71 H new ATOM 0 HE22 GLN A 62 54.068 -79.792 14.447 1.00 32.71 H new ATOM 998 N LYS A 63 50.589 -81.553 11.309 1.00 11.73 N ATOM 999 CA LYS A 63 49.670 -82.662 11.065 1.00 11.97 C ATOM 1000 C LYS A 63 48.258 -82.167 10.745 1.00 10.41 C ATOM 1001 O LYS A 63 47.780 -81.185 11.312 1.00 9.59 O ATOM 1002 CB LYS A 63 49.596 -83.635 12.246 1.00 13.73 C ATOM 1003 CG LYS A 63 49.127 -82.889 13.496 1.00 16.98 C ATOM 1004 CD LYS A 63 49.291 -83.794 14.720 1.00 20.19 C ATOM 1005 CE LYS A 63 48.601 -83.155 15.926 1.00 23.42 C ATOM 1006 NZ LYS A 63 48.987 -83.888 17.166 1.00 25.97 N ATOM 0 H LYS A 63 51.120 -81.613 12.178 1.00 11.73 H new ATOM 0 HA LYS A 63 50.075 -83.192 10.203 1.00 11.97 H new ATOM 0 HB2 LYS A 63 48.909 -84.449 12.017 1.00 13.73 H new ATOM 0 HB3 LYS A 63 50.574 -84.083 12.423 1.00 13.73 H new ATOM 0 HG2 LYS A 63 49.706 -81.975 13.626 1.00 16.98 H new ATOM 0 HG3 LYS A 63 48.084 -82.593 13.386 1.00 16.98 H new ATOM 0 HD2 LYS A 63 48.861 -84.775 14.520 1.00 20.19 H new ATOM 0 HD3 LYS A 63 50.349 -83.947 14.933 1.00 20.19 H new ATOM 0 HE2 LYS A 63 48.885 -82.106 16.007 1.00 23.42 H new ATOM 0 HE3 LYS A 63 47.519 -83.183 15.796 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 48.518 -83.454 17.986 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 48.694 -84.883 17.086 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 50.018 -83.839 17.291 1.00 25.97 H new ATOM 1020 N GLU A 64 47.616 -82.862 9.808 1.00 10.04 N ATOM 1021 CA GLU A 64 46.264 -82.529 9.353 1.00 10.94 C ATOM 1022 C GLU A 64 46.200 -81.202 8.609 1.00 9.74 C ATOM 1023 O GLU A 64 45.125 -80.617 8.477 1.00 9.42 O ATOM 1024 CB GLU A 64 45.211 -82.507 10.463 1.00 18.31 C ATOM 1025 CG GLU A 64 45.060 -83.909 11.054 1.00 24.16 C ATOM 1026 CD GLU A 64 43.846 -83.947 11.977 1.00 29.00 C ATOM 1027 OE1 GLU A 64 43.290 -82.892 12.235 1.00 31.72 O ATOM 1028 OE2 GLU A 64 43.492 -85.029 12.415 1.00 32.61 O ATOM 0 H GLU A 64 48.018 -83.674 9.341 1.00 10.04 H new ATOM 0 HA GLU A 64 46.025 -83.347 8.673 1.00 10.94 H new ATOM 0 HB2 GLU A 64 45.503 -81.803 11.242 1.00 18.31 H new ATOM 0 HB3 GLU A 64 44.256 -82.164 10.065 1.00 18.31 H new ATOM 0 HG2 GLU A 64 44.945 -84.641 10.255 1.00 24.16 H new ATOM 0 HG3 GLU A 64 45.959 -84.180 11.608 1.00 24.16 H new ATOM 1035 N SER A 65 47.319 -80.760 8.056 1.00 6.85 N ATOM 1036 CA SER A 65 47.340 -79.548 7.252 1.00 6.90 C ATOM 1037 C SER A 65 46.768 -79.883 5.881 1.00 4.72 C ATOM 1038 O SER A 65 46.926 -81.004 5.395 1.00 3.91 O ATOM 1039 CB SER A 65 48.769 -79.033 7.118 1.00 7.28 C ATOM 1040 OG SER A 65 49.195 -78.487 8.359 1.00 10.56 O ATOM 0 H SER A 65 48.224 -81.222 8.149 1.00 6.85 H new ATOM 0 HA SER A 65 46.744 -78.768 7.726 1.00 6.90 H new ATOM 0 HB2 SER A 65 49.433 -79.844 6.819 1.00 7.28 H new ATOM 0 HB3 SER A 65 48.822 -78.274 6.338 1.00 7.28 H new ATOM 0 HG SER A 65 49.286 -79.206 9.019 1.00 10.56 H new ATOM 1046 N THR A 66 46.109 -78.905 5.246 1.00 4.48 N ATOM 1047 CA THR A 66 45.524 -79.104 3.919 1.00 3.80 C ATOM 1048 C THR A 66 46.304 -78.292 2.886 1.00 4.60 C ATOM 1049 O THR A 66 46.463 -77.078 3.012 1.00 5.33 O ATOM 1050 CB THR A 66 44.055 -78.664 3.907 1.00 2.85 C ATOM 1051 OG1 THR A 66 43.326 -79.433 4.853 1.00 2.15 O ATOM 1052 CG2 THR A 66 43.463 -78.877 2.510 1.00 3.40 C ATOM 0 H THR A 66 45.969 -77.971 5.631 1.00 4.48 H new ATOM 0 HA THR A 66 45.577 -80.164 3.672 1.00 3.80 H new ATOM 0 HB THR A 66 43.991 -77.607 4.167 1.00 2.85 H new ATOM 0 HG1 THR A 66 42.387 -79.153 4.849 1.00 2.15 H new ATOM 0 HG21 THR A 66 42.419 -78.563 2.505 1.00 3.40 H new ATOM 0 HG22 THR A 66 44.022 -78.287 1.784 1.00 3.40 H new ATOM 0 HG23 THR A 66 43.526 -79.933 2.245 1.00 3.40 H new ATOM 1060 N LEU A 67 46.750 -78.987 1.845 1.00 4.17 N ATOM 1061 CA LEU A 67 47.479 -78.378 0.737 1.00 3.85 C ATOM 1062 C LEU A 67 46.524 -78.284 -0.447 1.00 3.80 C ATOM 1063 O LEU A 67 45.552 -79.028 -0.536 1.00 5.54 O ATOM 1064 CB LEU A 67 48.685 -79.269 0.370 1.00 7.18 C ATOM 1065 CG LEU A 67 49.943 -78.819 1.115 1.00 9.67 C ATOM 1066 CD1 LEU A 67 49.712 -78.872 2.627 1.00 8.12 C ATOM 1067 CD2 LEU A 67 51.111 -79.737 0.741 1.00 11.66 C ATOM 0 H LEU A 67 46.616 -79.993 1.745 1.00 4.17 H new ATOM 0 HA LEU A 67 47.845 -77.388 1.008 1.00 3.85 H new ATOM 0 HB2 LEU A 67 48.463 -80.307 0.617 1.00 7.18 H new ATOM 0 HB3 LEU A 67 48.860 -79.227 -0.705 1.00 7.18 H new ATOM 0 HG LEU A 67 50.176 -77.793 0.831 1.00 9.67 H new ATOM 0 HD11 LEU A 67 50.615 -78.549 3.145 1.00 8.12 H new ATOM 0 HD12 LEU A 67 48.886 -78.212 2.892 1.00 8.12 H new ATOM 0 HD13 LEU A 67 49.470 -79.893 2.922 1.00 8.12 H new ATOM 0 HD21 LEU A 67 52.009 -79.418 1.271 1.00 11.66 H new ATOM 0 HD22 LEU A 67 50.871 -80.763 1.019 1.00 11.66 H new ATOM 0 HD23 LEU A 67 51.286 -79.684 -0.334 1.00 11.66 H new ATOM 1079 N HIS A 68 46.817 -77.359 -1.362 1.00 2.94 N ATOM 1080 CA HIS A 68 45.995 -77.172 -2.558 1.00 4.17 C ATOM 1081 C HIS A 68 46.817 -77.531 -3.791 1.00 5.32 C ATOM 1082 O HIS A 68 47.964 -77.104 -3.930 1.00 7.70 O ATOM 1083 CB HIS A 68 45.522 -75.719 -2.654 1.00 5.57 C ATOM 1084 CG HIS A 68 44.525 -75.442 -1.563 1.00 9.95 C ATOM 1085 ND1 HIS A 68 44.908 -74.975 -0.316 1.00 13.74 N ATOM 1086 CD2 HIS A 68 43.159 -75.564 -1.515 1.00 12.79 C ATOM 1087 CE1 HIS A 68 43.793 -74.834 0.423 1.00 14.75 C ATOM 1088 NE2 HIS A 68 42.698 -75.179 -0.259 1.00 16.30 N ATOM 0 H HIS A 68 47.616 -76.728 -1.298 1.00 2.94 H new ATOM 0 HA HIS A 68 45.120 -77.819 -2.498 1.00 4.17 H new ATOM 0 HB2 HIS A 68 46.372 -75.042 -2.565 1.00 5.57 H new ATOM 0 HB3 HIS A 68 45.070 -75.536 -3.629 1.00 5.57 H new ATOM 0 HD2 HIS A 68 42.536 -75.907 -2.328 1.00 12.79 H new ATOM 0 HE1 HIS A 68 43.784 -74.484 1.445 1.00 14.75 H new ATOM 0 HE2 HIS A 68 41.732 -75.164 0.069 1.00 16.30 H new ATOM 1096 N LEU A 69 46.225 -78.326 -4.683 1.00 5.29 N ATOM 1097 CA LEU A 69 46.897 -78.756 -5.909 1.00 3.97 C ATOM 1098 C LEU A 69 46.277 -78.043 -7.105 1.00 5.07 C ATOM 1099 O LEU A 69 45.057 -78.029 -7.272 1.00 4.34 O ATOM 1100 CB LEU A 69 46.730 -80.276 -6.105 1.00 6.08 C ATOM 1101 CG LEU A 69 47.422 -80.778 -7.384 1.00 7.37 C ATOM 1102 CD1 LEU A 69 48.939 -80.805 -7.193 1.00 6.87 C ATOM 1103 CD2 LEU A 69 46.935 -82.197 -7.692 1.00 9.96 C ATOM 0 H LEU A 69 45.277 -78.687 -4.578 1.00 5.29 H new ATOM 0 HA LEU A 69 47.956 -78.512 -5.829 1.00 3.97 H new ATOM 0 HB2 LEU A 69 47.142 -80.799 -5.242 1.00 6.08 H new ATOM 0 HB3 LEU A 69 45.669 -80.520 -6.149 1.00 6.08 H new ATOM 0 HG LEU A 69 47.178 -80.105 -8.206 1.00 7.37 H new ATOM 0 HD11 LEU A 69 49.414 -81.162 -8.106 1.00 6.87 H new ATOM 0 HD12 LEU A 69 49.295 -79.800 -6.968 1.00 6.87 H new ATOM 0 HD13 LEU A 69 49.190 -81.472 -6.368 1.00 6.87 H new ATOM 0 HD21 LEU A 69 47.421 -82.560 -8.598 1.00 9.96 H new ATOM 0 HD22 LEU A 69 47.182 -82.855 -6.859 1.00 9.96 H new ATOM 0 HD23 LEU A 69 45.855 -82.187 -7.839 1.00 9.96 H new ATOM 1115 N VAL A 70 47.138 -77.475 -7.955 1.00 4.29 N ATOM 1116 CA VAL A 70 46.730 -76.777 -9.171 1.00 6.26 C ATOM 1117 C VAL A 70 47.391 -77.487 -10.346 1.00 9.22 C ATOM 1118 O VAL A 70 48.579 -77.799 -10.316 1.00 9.36 O ATOM 1119 CB VAL A 70 47.184 -75.319 -9.071 1.00 8.69 C ATOM 1120 CG1 VAL A 70 47.388 -74.693 -10.457 1.00 9.76 C ATOM 1121 CG2 VAL A 70 46.155 -74.500 -8.303 1.00 8.54 C ATOM 0 H VAL A 70 48.148 -77.489 -7.814 1.00 4.29 H new ATOM 0 HA VAL A 70 45.649 -76.786 -9.307 1.00 6.26 H new ATOM 0 HB VAL A 70 48.138 -75.311 -8.543 1.00 8.69 H new ATOM 0 HG11 VAL A 70 47.710 -73.658 -10.345 1.00 9.76 H new ATOM 0 HG12 VAL A 70 48.149 -75.253 -11.001 1.00 9.76 H new ATOM 0 HG13 VAL A 70 46.450 -74.723 -11.011 1.00 9.76 H new ATOM 0 HG21 VAL A 70 46.489 -73.464 -8.238 1.00 8.54 H new ATOM 0 HG22 VAL A 70 45.197 -74.541 -8.822 1.00 8.54 H new ATOM 0 HG23 VAL A 70 46.041 -74.908 -7.299 1.00 8.54 H new ATOM 1131 N LEU A 71 46.596 -77.757 -11.363 1.00 12.71 N ATOM 1132 CA LEU A 71 47.074 -78.462 -12.556 1.00 16.06 C ATOM 1133 C LEU A 71 47.315 -77.496 -13.711 1.00 18.09 C ATOM 1134 O LEU A 71 46.449 -76.690 -14.051 1.00 19.26 O ATOM 1135 CB LEU A 71 46.036 -79.500 -12.988 1.00 17.10 C ATOM 1136 CG LEU A 71 45.716 -80.438 -11.819 1.00 19.37 C ATOM 1137 CD1 LEU A 71 44.676 -81.468 -12.272 1.00 17.51 C ATOM 1138 CD2 LEU A 71 46.990 -81.161 -11.353 1.00 19.57 C ATOM 0 H LEU A 71 45.609 -77.501 -11.395 1.00 12.71 H new ATOM 0 HA LEU A 71 48.017 -78.948 -12.304 1.00 16.06 H new ATOM 0 HB2 LEU A 71 45.127 -79.000 -13.323 1.00 17.10 H new ATOM 0 HB3 LEU A 71 46.414 -80.075 -13.833 1.00 17.10 H new ATOM 0 HG LEU A 71 45.321 -79.854 -10.988 1.00 19.37 H new ATOM 0 HD11 LEU A 71 44.444 -82.139 -11.445 1.00 17.51 H new ATOM 0 HD12 LEU A 71 43.768 -80.954 -12.588 1.00 17.51 H new ATOM 0 HD13 LEU A 71 45.075 -82.045 -13.106 1.00 17.51 H new ATOM 0 HD21 LEU A 71 46.749 -81.824 -10.522 1.00 19.57 H new ATOM 0 HD22 LEU A 71 47.399 -81.746 -12.177 1.00 19.57 H new ATOM 0 HD23 LEU A 71 47.727 -80.427 -11.029 1.00 19.57 H new ATOM 1150 N ARG A 72 48.495 -77.598 -14.325 1.00 21.47 N ATOM 1151 CA ARG A 72 48.845 -76.747 -15.464 1.00 25.83 C ATOM 1152 C ARG A 72 48.927 -77.601 -16.731 1.00 27.74 C ATOM 1153 O ARG A 72 49.707 -78.551 -16.793 1.00 30.65 O ATOM 1154 CB ARG A 72 50.193 -76.070 -15.212 1.00 28.49 C ATOM 1155 CG ARG A 72 50.547 -75.178 -16.404 1.00 31.79 C ATOM 1156 CD ARG A 72 51.843 -74.430 -16.108 1.00 34.05 C ATOM 1157 NE ARG A 72 52.193 -73.564 -17.228 1.00 35.08 N ATOM 1158 CZ ARG A 72 53.325 -72.870 -17.231 1.00 34.67 C ATOM 1159 NH1 ARG A 72 53.540 -71.969 -16.311 1.00 34.97 N ATOM 1160 NH2 ARG A 72 54.221 -73.086 -18.155 1.00 35.02 N ATOM 0 H ARG A 72 49.223 -78.259 -14.054 1.00 21.47 H new ATOM 0 HA ARG A 72 48.080 -75.981 -15.590 1.00 25.83 H new ATOM 0 HB2 ARG A 72 50.148 -75.475 -14.300 1.00 28.49 H new ATOM 0 HB3 ARG A 72 50.968 -76.822 -15.064 1.00 28.49 H new ATOM 0 HG2 ARG A 72 50.660 -75.782 -17.304 1.00 31.79 H new ATOM 0 HG3 ARG A 72 49.741 -74.470 -16.595 1.00 31.79 H new ATOM 0 HD2 ARG A 72 51.729 -73.836 -15.201 1.00 34.05 H new ATOM 0 HD3 ARG A 72 52.648 -75.142 -15.924 1.00 34.05 H new ATOM 0 HE ARG A 72 51.558 -73.490 -18.022 1.00 35.08 H new ATOM 0 HH11 ARG A 72 52.839 -71.798 -15.590 1.00 34.97 H new ATOM 0 HH12 ARG A 72 54.409 -71.436 -16.313 1.00 34.97 H new ATOM 0 HH21 ARG A 72 54.052 -73.788 -18.875 1.00 35.02 H new ATOM 0 HH22 ARG A 72 55.090 -72.553 -18.157 1.00 35.02 H new