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 137:sc= 1.32 USER MOD Set 1.2: A 57 SER OG : rot -88:sc= 1 USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0103 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 178:sc= 1.08 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot -10:sc= 0.926 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0875 (180deg=-0.0875) USER MOD Single : A 1 MET N :NH3+ -144:sc= 2.33 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 1.21 (180deg=0.886) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.28 (180deg=0.224!) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.07 (180deg=1.01) USER MOD Single : A 31 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.44) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00759) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0691 K(o=-0.069,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00512 X(o=-0.0051,f=-0.027) USER MOD Single : A 59 TYR OH : rot 110:sc= -0.272 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0405 (180deg=-0.288) USER MOD Single : A 65 SER OG : rot 62:sc= 1.2 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=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.133 -7.050 -5.128 1.00 9.67 N ATOM 2 CA MET A 1 11.257 -6.950 -3.658 1.00 10.38 C ATOM 3 C MET A 1 9.924 -7.414 -2.945 1.00 9.62 C ATOM 4 O MET A 1 8.867 -7.015 -3.380 1.00 9.62 O ATOM 5 CB MET A 1 11.474 -5.450 -3.382 1.00 13.77 C ATOM 6 CG MET A 1 11.587 -5.050 -1.946 1.00 16.29 C ATOM 7 SD MET A 1 12.252 -3.371 -1.812 1.00 17.17 S ATOM 8 CE MET A 1 10.917 -2.278 -2.334 1.00 16.11 C ATOM 0 H1 MET A 1 12.044 -7.344 -5.534 1.00 9.67 H new ATOM 0 H2 MET A 1 10.404 -7.752 -5.368 1.00 9.67 H new ATOM 0 H3 MET A 1 10.863 -6.124 -5.517 1.00 9.67 H new ATOM 0 HA MET A 1 12.064 -7.579 -3.284 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.382 -5.135 -3.897 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.647 -4.897 -3.827 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.608 -5.100 -1.469 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.235 -5.749 -1.417 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.252 -1.242 -2.277 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.635 -2.513 -3.360 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.056 -2.417 -1.680 1.00 16.11 H new ATOM 20 N GLN A 2 9.997 -8.394 -1.966 1.00 9.27 N ATOM 21 CA GLN A 2 8.864 -8.838 -1.233 1.00 9.07 C ATOM 22 C GLN A 2 8.374 -7.867 -0.173 1.00 8.72 C ATOM 23 O GLN A 2 9.112 -7.561 0.754 1.00 8.22 O ATOM 24 CB GLN A 2 9.075 -10.309 -0.661 1.00 14.46 C ATOM 25 CG GLN A 2 7.731 -11.083 -0.304 1.00 17.01 C ATOM 26 CD GLN A 2 8.041 -12.523 0.066 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.155 -12.842 1.242 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.282 -13.353 -0.950 1.00 19.49 N ATOM 0 H GLN A 2 10.865 -8.862 -1.706 1.00 9.27 H new ATOM 0 HA GLN A 2 8.051 -8.876 -1.958 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.631 -10.893 -1.395 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.693 -10.251 0.235 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.226 -10.587 0.525 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.050 -11.056 -1.155 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.169 -13.029 -1.911 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.579 -14.311 -0.766 1.00 19.49 H new ATOM 37 N ILE A 3 7.153 -7.292 -0.217 1.00 5.87 N ATOM 38 CA ILE A 3 6.597 -6.423 0.801 1.00 5.07 C ATOM 39 C ILE A 3 5.261 -7.065 1.176 1.00 4.01 C ATOM 40 O ILE A 3 4.724 -7.854 0.389 1.00 4.61 O ATOM 41 CB ILE A 3 6.409 -4.963 0.414 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.608 -4.895 -0.905 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.762 -4.213 0.444 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.004 -3.513 -1.234 1.00 10.83 C ATOM 0 H ILE A 3 6.516 -7.436 -1.000 1.00 5.87 H new ATOM 0 HA ILE A 3 7.308 -6.353 1.625 1.00 5.07 H new ATOM 0 HB ILE A 3 5.806 -4.422 1.143 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.262 -5.193 -1.725 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.800 -5.626 -0.860 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.607 -3.171 0.164 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.182 -4.260 1.449 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.452 -4.679 -0.260 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.462 -3.568 -2.178 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.320 -3.216 -0.439 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.804 -2.777 -1.318 1.00 10.83 H new ATOM 56 N PHE A 4 4.742 -6.791 2.365 1.00 4.55 N ATOM 57 CA PHE A 4 3.449 -7.427 2.816 1.00 4.68 C ATOM 58 C PHE A 4 2.413 -6.366 3.116 1.00 5.30 C ATOM 59 O PHE A 4 2.742 -5.286 3.533 1.00 5.58 O ATOM 60 CB PHE A 4 3.553 -8.163 4.208 1.00 4.83 C ATOM 61 CG PHE A 4 4.695 -9.184 4.102 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.550 -10.235 3.189 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.809 -9.195 4.998 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.588 -11.182 3.011 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.794 -10.226 4.863 1.00 10.61 C ATOM 66 CZ PHE A 4 6.708 -11.156 3.840 1.00 8.90 C ATOM 0 H PHE A 4 5.161 -6.153 3.041 1.00 4.55 H new ATOM 0 HA PHE A 4 3.202 -8.110 2.003 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.750 -7.448 5.007 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.614 -8.661 4.450 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.639 -10.325 2.616 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.906 -8.439 5.763 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.511 -11.926 2.231 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.612 -10.279 5.566 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.510 -11.862 3.685 1.00 8.90 H new ATOM 76 N VAL A 5 1.093 -6.620 2.903 1.00 4.44 N ATOM 77 CA VAL A 5 0.052 -5.714 3.291 1.00 3.87 C ATOM 78 C VAL A 5 -0.962 -6.448 4.125 1.00 4.93 C ATOM 79 O VAL A 5 -1.359 -7.589 3.918 1.00 6.84 O ATOM 80 CB VAL A 5 -0.529 -5.108 2.063 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.529 -3.894 2.373 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.649 -4.505 1.232 1.00 9.13 C ATOM 0 H VAL A 5 0.752 -7.470 2.454 1.00 4.44 H new ATOM 0 HA VAL A 5 0.438 -4.902 3.908 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.083 -5.891 1.545 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.919 -3.495 1.436 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.356 -4.251 2.987 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.994 -3.109 2.907 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.257 -4.051 0.322 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.161 -3.747 1.824 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.351 -5.296 0.970 1.00 9.13 H new ATOM 92 N LYS A 6 -1.464 -5.790 5.179 1.00 6.04 N ATOM 93 CA LYS A 6 -2.356 -6.380 6.129 1.00 6.12 C ATOM 94 C LYS A 6 -3.755 -5.834 5.879 1.00 6.57 C ATOM 95 O LYS A 6 -3.998 -4.592 5.857 1.00 5.76 O ATOM 96 CB LYS A 6 -1.787 -6.043 7.509 1.00 7.45 C ATOM 97 CG LYS A 6 -2.542 -6.708 8.660 1.00 11.12 C ATOM 98 CD LYS A 6 -2.217 -8.212 8.877 1.00 14.54 C ATOM 99 CE LYS A 6 -0.939 -8.468 9.712 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.581 -9.931 9.698 1.00 20.55 N ATOM 0 H LYS A 6 -1.244 -4.815 5.380 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.440 -7.464 6.049 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.741 -6.349 7.546 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.808 -4.962 7.648 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.320 -6.168 9.580 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.612 -6.605 8.480 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.063 -8.688 9.373 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.105 -8.693 7.905 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.112 -7.882 9.311 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.096 -8.136 10.738 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.297 -10.079 10.235 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.349 -10.481 10.133 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.444 -10.245 8.716 1.00 20.55 H new ATOM 114 N THR A 7 -4.688 -6.744 5.639 1.00 7.41 N ATOM 115 CA THR A 7 -6.055 -6.405 5.350 1.00 7.48 C ATOM 116 C THR A 7 -6.848 -6.166 6.613 1.00 8.75 C ATOM 117 O THR A 7 -6.434 -6.546 7.714 1.00 8.58 O ATOM 118 CB THR A 7 -6.770 -7.457 4.453 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.125 -8.661 5.207 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.907 -7.866 3.251 1.00 9.17 C ATOM 0 H THR A 7 -4.505 -7.747 5.642 1.00 7.41 H new ATOM 0 HA THR A 7 -6.014 -5.476 4.782 1.00 7.48 H new ATOM 0 HB THR A 7 -7.679 -6.975 4.093 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.709 -9.228 4.662 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.443 -8.601 2.651 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.692 -6.988 2.642 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.972 -8.299 3.605 1.00 9.17 H new ATOM 128 N LEU A 8 -7.986 -5.389 6.523 1.00 9.84 N ATOM 129 CA LEU A 8 -8.935 -5.092 7.640 1.00 14.15 C ATOM 130 C LEU A 8 -9.514 -6.257 8.383 1.00 17.37 C ATOM 131 O LEU A 8 -9.867 -6.133 9.564 1.00 17.01 O ATOM 132 CB LEU A 8 -10.112 -4.291 7.194 1.00 16.63 C ATOM 133 CG LEU A 8 -9.791 -2.902 6.627 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.054 -2.061 6.293 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.894 -2.075 7.630 1.00 18.59 C ATOM 0 H LEU A 8 -8.266 -4.947 5.648 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.271 -4.553 8.315 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.649 -4.859 6.434 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.789 -4.171 8.040 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.256 -3.090 5.696 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.751 -1.092 5.897 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.654 -2.586 5.550 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.644 -1.915 7.198 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.681 -1.095 7.204 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.423 -1.953 8.575 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.958 -2.606 7.804 1.00 18.59 H new ATOM 147 N THR A 9 -9.517 -7.454 7.752 1.00 18.33 N ATOM 148 CA THR A 9 -9.993 -8.633 8.346 1.00 19.24 C ATOM 149 C THR A 9 -8.819 -9.362 8.967 1.00 19.48 C ATOM 150 O THR A 9 -8.976 -10.196 9.820 1.00 23.14 O ATOM 151 CB THR A 9 -10.873 -9.378 7.355 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.178 -9.552 6.169 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.133 -8.549 7.115 1.00 19.70 C ATOM 0 H THR A 9 -9.174 -7.584 6.800 1.00 18.33 H new ATOM 0 HA THR A 9 -10.668 -8.468 9.185 1.00 19.24 H new ATOM 0 HB THR A 9 -11.149 -10.358 7.745 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.741 -10.033 5.527 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.779 -9.066 6.406 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.664 -8.413 8.057 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.856 -7.575 6.710 1.00 19.70 H new ATOM 161 N GLY A 10 -7.552 -8.976 8.686 1.00 19.43 N ATOM 162 CA GLY A 10 -6.398 -9.664 9.212 1.00 18.74 C ATOM 163 C GLY A 10 -5.742 -10.734 8.434 1.00 17.62 C ATOM 164 O GLY A 10 -4.837 -11.462 8.889 1.00 19.74 O ATOM 0 H GLY A 10 -7.325 -8.181 8.089 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.641 -8.908 9.421 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.690 -10.096 10.169 1.00 18.74 H new ATOM 168 N LYS A 11 -6.140 -10.863 7.184 1.00 13.56 N ATOM 169 CA LYS A 11 -5.408 -11.634 6.191 1.00 11.91 C ATOM 170 C LYS A 11 -4.062 -10.947 5.820 1.00 10.18 C ATOM 171 O LYS A 11 -4.007 -9.712 5.817 1.00 9.10 O ATOM 172 CB LYS A 11 -6.203 -11.945 4.930 1.00 13.43 C ATOM 173 CG LYS A 11 -5.522 -12.916 3.964 1.00 16.69 C ATOM 174 CD LYS A 11 -6.462 -13.265 2.831 1.00 17.92 C ATOM 175 CE LYS A 11 -6.796 -12.124 1.881 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.494 -12.672 0.655 1.00 21.93 N ATOM 0 H LYS A 11 -6.990 -10.431 6.822 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.208 -12.592 6.670 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.168 -12.360 5.219 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.402 -11.011 4.404 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.611 -12.468 3.567 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.226 -13.821 4.494 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.021 -14.078 2.254 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.391 -13.644 3.257 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.435 -11.396 2.381 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.885 -11.601 1.590 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.986 -11.900 0.162 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.792 -13.098 0.017 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.184 -13.395 0.943 1.00 21.93 H new ATOM 190 N THR A 12 -2.928 -11.636 5.532 1.00 9.63 N ATOM 191 CA THR A 12 -1.663 -10.947 5.218 1.00 9.85 C ATOM 192 C THR A 12 -1.290 -11.079 3.750 1.00 11.66 C ATOM 193 O THR A 12 -0.868 -12.176 3.294 1.00 12.33 O ATOM 194 CB THR A 12 -0.469 -11.346 6.020 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.735 -11.496 7.424 1.00 10.91 O ATOM 196 CG2 THR A 12 0.622 -10.242 5.891 1.00 9.63 C ATOM 0 H THR A 12 -2.870 -12.654 5.512 1.00 9.63 H new ATOM 0 HA THR A 12 -1.898 -9.917 5.488 1.00 9.85 H new ATOM 0 HB THR A 12 -0.154 -12.312 5.625 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.629 -11.150 7.626 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.498 -10.526 6.474 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.904 -10.130 4.844 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.229 -9.296 6.264 1.00 9.63 H new ATOM 204 N ILE A 13 -1.451 -10.095 2.860 1.00 10.42 N ATOM 205 CA ILE A 13 -1.233 -10.246 1.480 1.00 11.84 C ATOM 206 C ILE A 13 0.214 -9.942 1.057 1.00 10.55 C ATOM 207 O ILE A 13 0.901 -9.016 1.546 1.00 11.92 O ATOM 208 CB ILE A 13 -2.299 -9.628 0.610 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.303 -8.075 0.610 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.655 -10.334 1.063 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.266 -7.346 -0.353 1.00 16.46 C ATOM 0 H ILE A 13 -1.747 -9.155 3.123 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.351 -11.312 1.286 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.119 -9.810 -0.450 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.531 -7.743 1.623 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.291 -7.740 0.385 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.484 -9.939 0.476 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.576 -11.409 0.903 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.832 -10.137 2.120 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.151 -6.268 -0.235 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.034 -7.626 -1.381 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.293 -7.629 -0.123 1.00 16.46 H new ATOM 223 N THR A 14 0.694 -10.797 0.183 1.00 9.39 N ATOM 224 CA THR A 14 2.099 -10.775 -0.249 1.00 9.63 C ATOM 225 C THR A 14 2.286 -10.149 -1.617 1.00 11.20 C ATOM 226 O THR A 14 1.833 -10.649 -2.636 1.00 11.63 O ATOM 227 CB THR A 14 2.693 -12.164 -0.309 1.00 10.38 C ATOM 228 OG1 THR A 14 2.678 -12.719 0.987 1.00 16.30 O ATOM 229 CG2 THR A 14 4.183 -12.141 -0.673 1.00 11.66 C ATOM 0 H THR A 14 0.136 -11.530 -0.255 1.00 9.39 H new ATOM 0 HA THR A 14 2.608 -10.171 0.502 1.00 9.63 H new ATOM 0 HB THR A 14 2.112 -12.717 -1.047 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.059 -13.621 0.961 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.566 -13.161 -0.704 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.312 -11.675 -1.650 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.732 -11.570 0.076 1.00 11.66 H new ATOM 237 N LEU A 15 2.995 -9.008 -1.712 1.00 8.29 N ATOM 238 CA LEU A 15 3.160 -8.290 -2.937 1.00 9.03 C ATOM 239 C LEU A 15 4.583 -8.466 -3.463 1.00 8.59 C ATOM 240 O LEU A 15 5.506 -8.591 -2.643 1.00 7.79 O ATOM 241 CB LEU A 15 2.789 -6.735 -2.908 1.00 11.08 C ATOM 242 CG LEU A 15 1.351 -6.400 -2.436 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.123 -4.914 -2.618 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.311 -7.152 -3.289 1.00 15.27 C ATOM 0 H LEU A 15 3.465 -8.575 -0.917 1.00 8.29 H new ATOM 0 HA LEU A 15 2.424 -8.737 -3.605 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.495 -6.223 -2.255 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.928 -6.328 -3.909 1.00 11.08 H new ATOM 0 HG LEU A 15 1.242 -6.696 -1.393 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.115 -4.658 -2.291 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.849 -4.359 -2.024 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.240 -4.654 -3.670 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.692 -6.904 -2.942 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.417 -6.859 -4.334 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.472 -8.226 -3.195 1.00 15.27 H new ATOM 256 N GLU A 16 4.758 -8.419 -4.783 1.00 11.04 N ATOM 257 CA GLU A 16 6.064 -8.356 -5.437 1.00 11.50 C ATOM 258 C GLU A 16 6.178 -7.061 -6.186 1.00 10.13 C ATOM 259 O GLU A 16 5.263 -6.768 -6.994 1.00 9.83 O ATOM 260 CB GLU A 16 6.081 -9.492 -6.551 1.00 17.22 C ATOM 261 CG GLU A 16 7.372 -9.509 -7.386 1.00 23.33 C ATOM 262 CD GLU A 16 8.686 -9.537 -6.651 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.055 -10.662 -6.185 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.400 -8.503 -6.609 1.00 28.90 O ATOM 0 H GLU A 16 3.979 -8.424 -5.441 1.00 11.04 H new ATOM 0 HA GLU A 16 6.858 -8.460 -4.697 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.954 -10.463 -6.072 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.229 -9.351 -7.216 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.336 -10.380 -8.040 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.367 -8.628 -8.028 1.00 23.33 H new ATOM 271 N VAL A 17 7.099 -6.180 -5.755 1.00 8.99 N ATOM 272 CA VAL A 17 7.275 -4.785 -6.199 1.00 8.85 C ATOM 273 C VAL A 17 8.689 -4.373 -6.497 1.00 8.04 C ATOM 274 O VAL A 17 9.581 -5.162 -6.231 1.00 8.99 O ATOM 275 CB VAL A 17 6.669 -3.827 -5.146 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.151 -4.147 -5.094 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.385 -3.934 -3.795 1.00 10.54 C ATOM 0 H VAL A 17 7.782 -6.439 -5.043 1.00 8.99 H new ATOM 0 HA VAL A 17 6.751 -4.721 -7.153 1.00 8.85 H new ATOM 0 HB VAL A 17 6.808 -2.781 -5.420 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.667 -3.498 -4.364 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.710 -3.979 -6.077 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.008 -5.188 -4.805 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.928 -3.245 -3.085 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.299 -4.953 -3.418 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.438 -3.681 -3.920 1.00 10.54 H new ATOM 287 N GLU A 18 8.951 -3.212 -7.121 1.00 7.29 N ATOM 288 CA GLU A 18 10.290 -2.660 -7.459 1.00 7.08 C ATOM 289 C GLU A 18 10.339 -1.291 -6.754 1.00 6.45 C ATOM 290 O GLU A 18 9.285 -0.733 -6.609 1.00 5.28 O ATOM 291 CB GLU A 18 10.473 -2.461 -8.955 1.00 10.28 C ATOM 292 CG GLU A 18 10.477 -3.764 -9.743 1.00 12.65 C ATOM 293 CD GLU A 18 11.687 -4.496 -9.288 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.781 -3.902 -9.327 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.551 -5.662 -8.832 1.00 18.17 O ATOM 0 H GLU A 18 8.198 -2.593 -7.423 1.00 7.29 H new ATOM 0 HA GLU A 18 11.079 -3.343 -7.144 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.674 -1.821 -9.329 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.411 -1.935 -9.132 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.573 -4.342 -9.551 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.513 -3.574 -10.816 1.00 12.65 H new ATOM 302 N PRO A 19 11.447 -0.778 -6.222 1.00 7.24 N ATOM 303 CA PRO A 19 11.484 0.408 -5.411 1.00 7.07 C ATOM 304 C PRO A 19 11.211 1.716 -6.092 1.00 6.65 C ATOM 305 O PRO A 19 10.838 2.723 -5.430 1.00 6.37 O ATOM 306 CB PRO A 19 12.983 0.462 -4.896 1.00 7.61 C ATOM 307 CG PRO A 19 13.739 -0.514 -5.802 1.00 8.16 C ATOM 308 CD PRO A 19 12.698 -1.527 -6.217 1.00 7.49 C ATOM 0 HA PRO A 19 10.693 0.321 -4.667 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.392 1.470 -4.971 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.053 0.166 -3.849 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.164 -0.005 -6.667 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.566 -0.988 -5.273 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.917 -1.942 -7.201 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.658 -2.364 -5.520 1.00 7.49 H new ATOM 316 N SER A 20 11.327 1.752 -7.387 1.00 6.80 N ATOM 317 CA SER A 20 10.873 2.825 -8.270 1.00 6.28 C ATOM 318 C SER A 20 9.352 2.781 -8.421 1.00 8.45 C ATOM 319 O SER A 20 8.780 3.785 -8.934 1.00 7.26 O ATOM 320 CB SER A 20 11.419 2.718 -9.718 1.00 8.57 C ATOM 321 OG SER A 20 12.879 2.643 -9.608 1.00 11.13 O ATOM 0 H SER A 20 11.768 0.991 -7.903 1.00 6.80 H new ATOM 0 HA SER A 20 11.238 3.738 -7.800 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.022 1.835 -10.218 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.119 3.582 -10.311 1.00 8.57 H new ATOM 0 HG SER A 20 13.271 2.572 -10.503 1.00 11.13 H new ATOM 327 N ASP A 21 8.607 1.782 -7.978 1.00 7.50 N ATOM 328 CA ASP A 21 7.131 1.874 -7.882 1.00 7.70 C ATOM 329 C ASP A 21 6.509 2.851 -6.938 1.00 7.08 C ATOM 330 O ASP A 21 6.919 3.039 -5.778 1.00 8.11 O ATOM 331 CB ASP A 21 6.575 0.480 -7.440 1.00 11.00 C ATOM 332 CG ASP A 21 6.917 -0.565 -8.501 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.323 -0.294 -9.660 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.824 -1.777 -8.211 1.00 18.03 O ATOM 0 H ASP A 21 8.988 0.886 -7.674 1.00 7.50 H new ATOM 0 HA ASP A 21 6.868 2.225 -8.880 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.004 0.193 -6.480 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.495 0.534 -7.303 1.00 11.00 H new ATOM 339 N THR A 22 5.499 3.586 -7.446 1.00 5.37 N ATOM 340 CA THR A 22 4.798 4.515 -6.513 1.00 6.01 C ATOM 341 C THR A 22 3.814 3.854 -5.552 1.00 8.01 C ATOM 342 O THR A 22 3.471 2.642 -5.672 1.00 8.11 O ATOM 343 CB THR A 22 4.148 5.608 -7.255 1.00 8.92 C ATOM 344 OG1 THR A 22 3.191 5.045 -8.157 1.00 10.22 O ATOM 345 CG2 THR A 22 5.162 6.462 -8.082 1.00 9.65 C ATOM 0 H THR A 22 5.165 3.569 -8.410 1.00 5.37 H new ATOM 0 HA THR A 22 5.585 4.916 -5.875 1.00 6.01 H new ATOM 0 HB THR A 22 3.678 6.265 -6.524 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.750 5.764 -8.656 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.627 7.253 -8.608 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.897 6.906 -7.410 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.670 5.824 -8.805 1.00 9.65 H new ATOM 353 N ILE A 23 3.339 4.653 -4.596 1.00 8.32 N ATOM 354 CA ILE A 23 2.396 4.165 -3.522 1.00 9.92 C ATOM 355 C ILE A 23 1.013 3.807 -4.153 1.00 10.01 C ATOM 356 O ILE A 23 0.315 2.886 -3.721 1.00 8.71 O ATOM 357 CB ILE A 23 2.257 5.223 -2.434 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.613 5.479 -1.760 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.167 4.830 -1.371 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.391 4.301 -1.194 1.00 12.30 C ATOM 0 H ILE A 23 3.576 5.642 -4.521 1.00 8.32 H new ATOM 0 HA ILE A 23 2.799 3.263 -3.063 1.00 9.92 H new ATOM 0 HB ILE A 23 1.924 6.145 -2.910 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.253 5.976 -2.488 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.448 6.185 -0.946 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.100 5.611 -0.613 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.201 4.719 -1.864 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.443 3.888 -0.898 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.323 4.658 -0.755 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.795 3.806 -0.427 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.613 3.594 -1.993 1.00 12.30 H new ATOM 372 N GLU A 24 0.621 4.537 -5.222 1.00 9.54 N ATOM 373 CA GLU A 24 -0.517 4.239 -6.084 1.00 11.81 C ATOM 374 C GLU A 24 -0.335 2.937 -6.828 1.00 11.14 C ATOM 375 O GLU A 24 -1.249 2.107 -6.922 1.00 10.62 O ATOM 376 CB GLU A 24 -0.787 5.346 -7.118 1.00 19.24 C ATOM 377 CG GLU A 24 -2.311 5.328 -7.644 1.00 27.76 C ATOM 378 CD GLU A 24 -2.528 6.506 -8.540 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.808 7.655 -8.050 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.428 6.307 -9.771 1.00 36.51 O ATOM 0 H GLU A 24 1.117 5.381 -5.509 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.370 4.166 -5.409 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.569 6.317 -6.674 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.111 5.224 -7.964 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.513 4.402 -8.183 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -3.001 5.363 -6.801 1.00 27.76 H new ATOM 387 N ASN A 25 0.877 2.607 -7.339 1.00 9.43 N ATOM 388 CA ASN A 25 1.200 1.379 -8.098 1.00 10.96 C ATOM 389 C ASN A 25 1.093 0.113 -7.202 1.00 9.68 C ATOM 390 O ASN A 25 0.615 -0.977 -7.564 1.00 9.33 O ATOM 391 CB ASN A 25 2.654 1.463 -8.674 1.00 16.78 C ATOM 392 CG ASN A 25 2.761 0.506 -9.819 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.127 -0.668 -9.547 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.410 0.932 -11.046 1.00 24.70 N ATOM 0 H ASN A 25 1.688 3.216 -7.227 1.00 9.43 H new ATOM 0 HA ASN A 25 0.478 1.301 -8.911 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.873 2.478 -9.006 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.383 1.215 -7.903 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.430 0.286 -11.835 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.124 1.901 -11.187 1.00 24.70 H new ATOM 401 N VAL A 26 1.525 0.286 -5.909 1.00 6.52 N ATOM 402 CA VAL A 26 1.203 -0.539 -4.806 1.00 5.53 C ATOM 403 C VAL A 26 -0.293 -0.875 -4.675 1.00 4.42 C ATOM 404 O VAL A 26 -0.672 -2.046 -4.916 1.00 3.40 O ATOM 405 CB VAL A 26 1.790 -0.125 -3.511 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.538 -1.117 -2.333 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.322 0.043 -3.616 1.00 8.12 C ATOM 0 H VAL A 26 2.137 1.059 -5.648 1.00 6.52 H new ATOM 0 HA VAL A 26 1.706 -1.470 -5.066 1.00 5.53 H new ATOM 0 HB VAL A 26 1.284 0.815 -3.292 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.004 -0.731 -1.426 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.465 -1.225 -2.172 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.968 -2.088 -2.577 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.722 0.347 -2.649 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.772 -0.904 -3.913 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.554 0.805 -4.360 1.00 8.12 H new ATOM 417 N LYS A 27 -1.213 0.097 -4.560 1.00 2.64 N ATOM 418 CA LYS A 27 -2.642 -0.089 -4.505 1.00 4.14 C ATOM 419 C LYS A 27 -3.303 -0.548 -5.764 1.00 5.58 C ATOM 420 O LYS A 27 -4.287 -1.336 -5.770 1.00 4.11 O ATOM 421 CB LYS A 27 -3.320 1.139 -4.049 1.00 3.97 C ATOM 422 CG LYS A 27 -2.817 1.562 -2.639 1.00 7.45 C ATOM 423 CD LYS A 27 -3.342 2.844 -1.957 1.00 9.02 C ATOM 424 CE LYS A 27 -3.256 4.165 -2.762 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.575 5.325 -1.890 1.00 15.47 N ATOM 0 H LYS A 27 -0.948 1.080 -4.501 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.753 -0.906 -3.792 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.139 1.945 -4.761 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.397 0.975 -4.021 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.027 0.733 -1.964 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.733 1.655 -2.702 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.386 2.680 -1.689 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.792 2.980 -1.026 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.255 4.280 -3.179 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.950 4.132 -3.602 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.813 6.148 -2.480 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.385 5.090 -1.282 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.751 5.551 -1.297 1.00 15.47 H new ATOM 439 N ALA A 28 -2.700 -0.256 -6.895 1.00 6.61 N ATOM 440 CA ALA A 28 -3.116 -0.867 -8.189 1.00 7.74 C ATOM 441 C ALA A 28 -2.946 -2.378 -8.290 1.00 9.17 C ATOM 442 O ALA A 28 -3.819 -3.123 -8.770 1.00 11.45 O ATOM 443 CB ALA A 28 -2.428 -0.154 -9.419 1.00 7.68 C ATOM 0 H ALA A 28 -1.919 0.396 -6.970 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.192 -0.698 -8.219 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.756 -0.628 -10.344 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.707 0.900 -9.432 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.345 -0.241 -9.331 1.00 7.68 H new ATOM 449 N LYS A 29 -1.912 -2.853 -7.724 1.00 8.96 N ATOM 450 CA LYS A 29 -1.531 -4.266 -7.652 1.00 7.90 C ATOM 451 C LYS A 29 -2.408 -4.974 -6.654 1.00 6.92 C ATOM 452 O LYS A 29 -2.666 -6.176 -6.794 1.00 6.87 O ATOM 453 CB LYS A 29 -0.037 -4.328 -7.296 1.00 10.28 C ATOM 454 CG LYS A 29 0.656 -5.673 -7.137 1.00 14.94 C ATOM 455 CD LYS A 29 2.148 -5.569 -7.277 1.00 19.69 C ATOM 456 CE LYS A 29 2.629 -5.599 -8.769 1.00 22.63 C ATOM 457 NZ LYS A 29 4.012 -5.139 -8.945 1.00 24.98 N ATOM 0 H LYS A 29 -1.238 -2.249 -7.254 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.677 -4.777 -8.604 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.502 -3.776 -8.066 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.095 -3.784 -6.361 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.414 -6.090 -6.159 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.271 -6.367 -7.884 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.487 -4.644 -6.811 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.616 -6.390 -6.734 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.541 -6.616 -9.151 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.967 -4.975 -9.369 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.324 -5.341 -9.916 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.062 -4.115 -8.771 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.631 -5.635 -8.273 1.00 24.98 H new ATOM 471 N ILE A 30 -2.928 -4.233 -5.626 1.00 4.57 N ATOM 472 CA ILE A 30 -3.922 -4.758 -4.664 1.00 5.58 C ATOM 473 C ILE A 30 -5.246 -4.897 -5.367 1.00 7.26 C ATOM 474 O ILE A 30 -6.092 -5.776 -5.061 1.00 9.46 O ATOM 475 CB ILE A 30 -3.873 -3.962 -3.428 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.516 -4.251 -2.734 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.064 -4.445 -2.527 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.194 -3.305 -1.615 1.00 2.00 C ATOM 0 H ILE A 30 -2.665 -3.263 -5.451 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.703 -5.768 -4.316 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.958 -2.892 -3.615 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.527 -5.269 -2.345 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.721 -4.203 -3.478 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.068 -3.880 -1.595 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.006 -4.285 -3.052 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.947 -5.506 -2.307 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.231 -3.571 -1.180 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.149 -2.287 -2.001 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.968 -3.369 -0.850 1.00 2.00 H new ATOM 490 N GLN A 31 -5.563 -4.003 -6.360 1.00 7.06 N ATOM 491 CA GLN A 31 -6.763 -4.106 -7.215 1.00 8.67 C ATOM 492 C GLN A 31 -6.665 -5.278 -8.163 1.00 10.90 C ATOM 493 O GLN A 31 -7.679 -5.930 -8.441 1.00 9.63 O ATOM 494 CB GLN A 31 -7.009 -2.773 -8.026 1.00 9.12 C ATOM 495 CG GLN A 31 -8.463 -2.747 -8.527 1.00 10.76 C ATOM 496 CD GLN A 31 -8.788 -1.671 -9.582 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.931 -0.934 -10.128 1.00 14.48 O ATOM 498 NE2 GLN A 31 -10.088 -1.634 -9.874 1.00 14.76 N ATOM 0 H GLN A 31 -4.982 -3.194 -6.578 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.613 -4.268 -6.553 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.814 -1.907 -7.393 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.320 -2.713 -8.869 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.701 -3.724 -8.947 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.120 -2.600 -7.670 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.736 -2.259 -9.395 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.435 -0.980 -10.576 1.00 14.76 H new ATOM 507 N ASP A 32 -5.475 -5.640 -8.707 1.00 10.93 N ATOM 508 CA ASP A 32 -5.182 -6.872 -9.401 1.00 14.01 C ATOM 509 C ASP A 32 -5.402 -8.170 -8.525 1.00 14.04 C ATOM 510 O ASP A 32 -5.835 -9.217 -9.002 1.00 13.39 O ATOM 511 CB ASP A 32 -3.783 -6.729 -10.030 1.00 18.01 C ATOM 512 CG ASP A 32 -3.541 -7.730 -11.134 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.293 -7.708 -12.155 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.522 -8.478 -10.946 1.00 25.17 O ATOM 0 H ASP A 32 -4.661 -5.027 -8.657 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.905 -7.032 -10.201 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.668 -5.720 -10.427 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.026 -6.856 -9.256 1.00 18.01 H new ATOM 519 N LYS A 33 -4.982 -8.127 -7.232 1.00 14.22 N ATOM 520 CA LYS A 33 -4.984 -9.269 -6.452 1.00 14.00 C ATOM 521 C LYS A 33 -6.251 -9.486 -5.649 1.00 12.37 C ATOM 522 O LYS A 33 -6.905 -10.553 -5.751 1.00 12.17 O ATOM 523 CB LYS A 33 -3.871 -9.099 -5.415 1.00 18.62 C ATOM 524 CG LYS A 33 -3.265 -10.342 -4.872 1.00 24.00 C ATOM 525 CD LYS A 33 -2.029 -10.029 -3.989 1.00 27.61 C ATOM 526 CE LYS A 33 -1.030 -11.230 -3.872 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.646 -12.555 -3.664 1.00 30.06 N ATOM 0 H LYS A 33 -4.649 -7.286 -6.761 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.870 -10.111 -7.135 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.077 -8.502 -5.864 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.270 -8.523 -4.580 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.006 -10.884 -4.284 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.971 -10.995 -5.694 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.504 -9.168 -4.403 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.366 -9.747 -2.991 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.428 -11.268 -4.780 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.348 -11.033 -3.045 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.900 -13.271 -3.549 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.238 -12.532 -2.809 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.234 -12.797 -4.487 1.00 30.06 H new ATOM 541 N GLU A 34 -6.702 -8.432 -4.903 1.00 10.11 N ATOM 542 CA GLU A 34 -7.842 -8.525 -4.078 1.00 10.07 C ATOM 543 C GLU A 34 -9.007 -7.777 -4.677 1.00 9.32 C ATOM 544 O GLU A 34 -10.128 -7.751 -4.124 1.00 11.61 O ATOM 545 CB GLU A 34 -7.558 -8.056 -2.663 1.00 14.77 C ATOM 546 CG GLU A 34 -6.442 -8.826 -1.933 1.00 18.75 C ATOM 547 CD GLU A 34 -6.848 -10.208 -1.428 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.764 -10.313 -0.554 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.284 -11.253 -1.880 1.00 25.19 O ATOM 0 H GLU A 34 -6.253 -7.516 -4.890 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.112 -9.579 -4.018 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.290 -7.000 -2.693 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.475 -8.135 -2.079 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.593 -8.935 -2.608 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.102 -8.230 -1.086 1.00 18.75 H new ATOM 556 N GLY A 35 -8.831 -7.056 -5.734 1.00 7.22 N ATOM 557 CA GLY A 35 -9.923 -6.206 -6.329 1.00 6.29 C ATOM 558 C GLY A 35 -10.368 -5.008 -5.549 1.00 6.93 C ATOM 559 O GLY A 35 -11.513 -4.543 -5.646 1.00 7.41 O ATOM 0 H GLY A 35 -7.947 -7.008 -6.241 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.588 -5.864 -7.308 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.793 -6.842 -6.494 1.00 6.29 H new ATOM 563 N ILE A 36 -9.590 -4.476 -4.643 1.00 5.86 N ATOM 564 CA ILE A 36 -10.000 -3.251 -3.909 1.00 6.07 C ATOM 565 C ILE A 36 -9.506 -2.080 -4.803 1.00 6.36 C ATOM 566 O ILE A 36 -8.329 -2.034 -5.083 1.00 6.18 O ATOM 567 CB ILE A 36 -9.288 -3.164 -2.604 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.431 -4.510 -1.813 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.708 -1.899 -1.870 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.720 -4.560 -0.495 1.00 9.49 C ATOM 0 H ILE A 36 -8.677 -4.846 -4.380 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.073 -3.239 -3.716 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.213 -3.055 -2.745 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.491 -4.701 -1.642 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.058 -5.321 -2.439 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.184 -1.841 -0.916 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.458 -1.027 -2.475 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.783 -1.921 -1.692 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.883 -5.533 -0.030 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.652 -4.407 -0.652 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.107 -3.777 0.157 1.00 9.49 H new ATOM 582 N PRO A 37 -10.507 -1.226 -5.238 1.00 8.65 N ATOM 583 CA PRO A 37 -10.192 -0.145 -6.166 1.00 9.18 C ATOM 584 C PRO A 37 -9.293 0.946 -5.599 1.00 9.85 C ATOM 585 O PRO A 37 -9.588 1.310 -4.433 1.00 8.51 O ATOM 586 CB PRO A 37 -11.594 0.467 -6.556 1.00 11.42 C ATOM 587 CG PRO A 37 -12.607 -0.603 -6.123 1.00 9.27 C ATOM 588 CD PRO A 37 -11.943 -1.249 -4.944 1.00 8.33 C ATOM 0 HA PRO A 37 -9.625 -0.546 -7.006 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.771 1.413 -6.045 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.658 0.666 -7.626 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.567 -0.163 -5.853 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.799 -1.321 -6.920 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.163 -0.707 -4.024 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.298 -2.270 -4.805 1.00 8.33 H new ATOM 596 N PRO A 38 -8.295 1.518 -6.195 1.00 8.71 N ATOM 597 CA PRO A 38 -7.250 2.199 -5.454 1.00 9.08 C ATOM 598 C PRO A 38 -7.535 3.655 -5.169 1.00 9.28 C ATOM 599 O PRO A 38 -6.701 4.263 -4.483 1.00 6.50 O ATOM 600 CB PRO A 38 -6.004 2.146 -6.402 1.00 10.31 C ATOM 601 CG PRO A 38 -6.653 2.081 -7.809 1.00 10.81 C ATOM 602 CD PRO A 38 -7.949 1.262 -7.614 1.00 12.00 C ATOM 0 HA PRO A 38 -7.131 1.717 -4.484 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.370 3.025 -6.288 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.380 1.275 -6.203 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.870 3.079 -8.190 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.988 1.603 -8.529 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.740 1.591 -8.288 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.789 0.201 -7.805 1.00 12.00 H new ATOM 610 N ASP A 39 -8.653 4.221 -5.606 1.00 11.20 N ATOM 611 CA ASP A 39 -9.026 5.552 -5.102 1.00 14.96 C ATOM 612 C ASP A 39 -9.825 5.411 -3.770 1.00 13.99 C ATOM 613 O ASP A 39 -9.952 6.364 -3.015 1.00 13.75 O ATOM 614 CB ASP A 39 -9.898 6.255 -6.123 1.00 24.16 C ATOM 615 CG ASP A 39 -9.202 6.257 -7.477 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.126 6.833 -7.632 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.877 5.854 -8.453 1.00 35.55 O ATOM 0 H ASP A 39 -9.298 3.808 -6.279 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.119 6.130 -4.926 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.862 5.753 -6.200 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.096 7.278 -5.804 1.00 24.16 H new ATOM 622 N GLN A 40 -10.326 4.177 -3.484 1.00 11.60 N ATOM 623 CA GLN A 40 -10.966 3.898 -2.242 1.00 10.76 C ATOM 624 C GLN A 40 -9.890 3.456 -1.234 1.00 8.01 C ATOM 625 O GLN A 40 -10.165 3.155 -0.095 1.00 8.96 O ATOM 626 CB GLN A 40 -11.937 2.711 -2.578 1.00 11.14 C ATOM 627 CG GLN A 40 -12.896 2.263 -1.411 1.00 14.85 C ATOM 628 CD GLN A 40 -13.957 1.121 -1.664 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.781 -0.086 -1.479 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.099 1.519 -2.140 1.00 18.16 N ATOM 0 H GLN A 40 -10.281 3.383 -4.122 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.497 4.747 -1.810 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.547 2.996 -3.436 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.339 1.852 -2.883 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.269 1.946 -0.578 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.442 3.147 -1.081 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.266 2.512 -2.301 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.828 0.838 -2.353 1.00 18.16 H new ATOM 639 N GLN A 41 -8.619 3.252 -1.623 1.00 6.52 N ATOM 640 CA GLN A 41 -7.697 2.527 -0.781 1.00 3.87 C ATOM 641 C GLN A 41 -6.568 3.479 -0.249 1.00 4.79 C ATOM 642 O GLN A 41 -6.125 4.399 -0.898 1.00 6.34 O ATOM 643 CB GLN A 41 -7.171 1.397 -1.705 1.00 4.20 C ATOM 644 CG GLN A 41 -6.624 0.167 -0.959 1.00 3.20 C ATOM 645 CD GLN A 41 -5.839 -0.670 -1.945 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.739 -1.053 -1.606 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.398 -1.024 -3.117 1.00 7.13 N ATOM 0 H GLN A 41 -8.226 3.580 -2.505 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.149 2.118 0.123 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -7.979 1.078 -2.363 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.383 1.801 -2.340 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -5.987 0.477 -0.131 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.442 -0.414 -0.532 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.326 -0.680 -3.364 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.894 -1.637 -3.758 1.00 7.13 H new ATOM 656 N ARG A 42 -6.144 3.204 0.997 1.00 5.73 N ATOM 657 CA ARG A 42 -5.141 3.868 1.772 1.00 6.97 C ATOM 658 C ARG A 42 -4.220 2.954 2.378 1.00 7.15 C ATOM 659 O ARG A 42 -4.542 1.807 2.633 1.00 7.33 O ATOM 660 CB ARG A 42 -5.769 4.758 2.894 1.00 13.23 C ATOM 661 CG ARG A 42 -5.073 6.182 3.042 1.00 21.27 C ATOM 662 CD ARG A 42 -5.710 7.139 4.093 1.00 26.14 C ATOM 663 NE ARG A 42 -5.018 8.523 4.009 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.414 9.544 4.733 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.499 9.462 5.510 1.00 35.30 N ATOM 666 NH2 ARG A 42 -4.747 10.706 4.698 1.00 36.39 N ATOM 0 H ARG A 42 -6.552 2.428 1.518 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.599 4.497 1.065 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.829 4.901 2.682 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.702 4.230 3.845 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.026 6.029 3.305 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.089 6.676 2.071 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.779 7.242 3.907 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.599 6.724 5.095 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.231 8.644 3.372 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.035 8.595 5.548 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.791 10.266 6.065 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -3.923 10.803 4.105 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -5.063 11.493 5.265 1.00 36.39 H new ATOM 680 N LEU A 43 -3.094 3.434 2.834 1.00 4.65 N ATOM 681 CA LEU A 43 -1.990 2.616 3.214 1.00 3.51 C ATOM 682 C LEU A 43 -1.191 3.388 4.246 1.00 5.56 C ATOM 683 O LEU A 43 -0.839 4.560 4.073 1.00 4.19 O ATOM 684 CB LEU A 43 -0.936 2.242 2.208 1.00 3.74 C ATOM 685 CG LEU A 43 -1.400 1.301 1.108 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.319 1.112 0.053 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.836 -0.096 1.668 1.00 6.41 C ATOM 0 H LEU A 43 -2.922 4.432 2.952 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.493 1.691 3.496 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.555 3.154 1.748 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.102 1.778 2.734 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.271 1.770 0.650 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.680 0.434 -0.720 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.075 2.076 -0.394 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.573 0.691 0.517 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.159 -0.733 0.845 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.993 -0.562 2.179 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.659 0.034 2.371 1.00 6.41 H new ATOM 699 N ILE A 44 -0.917 2.660 5.370 1.00 4.58 N ATOM 700 CA ILE A 44 -0.068 3.133 6.455 1.00 5.55 C ATOM 701 C ILE A 44 1.240 2.325 6.632 1.00 5.46 C ATOM 702 O ILE A 44 1.115 1.071 6.526 1.00 6.04 O ATOM 703 CB ILE A 44 -0.854 3.252 7.708 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.103 4.183 7.371 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.030 3.672 8.898 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.061 4.389 8.598 1.00 13.90 C ATOM 0 H ILE A 44 -1.292 1.725 5.528 1.00 4.58 H new ATOM 0 HA ILE A 44 0.279 4.128 6.177 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.247 2.297 8.057 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.744 5.154 7.030 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.665 3.743 6.547 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.582 3.748 9.797 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.810 2.927 9.052 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.488 4.639 8.688 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.892 5.031 8.307 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.446 3.423 8.925 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.511 4.856 9.415 1.00 13.90 H new ATOM 718 N PHE A 45 2.365 2.967 6.927 1.00 6.75 N ATOM 719 CA PHE A 45 3.583 2.266 7.255 1.00 4.70 C ATOM 720 C PHE A 45 4.214 2.895 8.455 1.00 6.34 C ATOM 721 O PHE A 45 4.444 4.077 8.441 1.00 5.45 O ATOM 722 CB PHE A 45 4.536 2.104 5.987 1.00 5.51 C ATOM 723 CG PHE A 45 5.931 1.756 6.404 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.279 0.395 6.488 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.919 2.767 6.435 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.612 0.049 6.762 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.242 2.406 6.717 1.00 6.64 C ATOM 728 CZ PHE A 45 8.615 1.024 6.910 1.00 6.84 C ATOM 0 H PHE A 45 2.450 3.983 6.943 1.00 6.75 H new ATOM 0 HA PHE A 45 3.358 1.237 7.536 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.145 1.327 5.331 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.545 3.031 5.414 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.532 -0.372 6.344 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.658 3.798 6.245 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.874 -0.994 6.862 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.997 3.175 6.792 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.629 0.749 7.159 1.00 6.84 H new ATOM 738 N ALA A 46 4.343 2.092 9.596 1.00 6.53 N ATOM 739 CA ALA A 46 4.993 2.508 10.847 1.00 7.15 C ATOM 740 C ALA A 46 4.500 3.859 11.385 1.00 9.00 C ATOM 741 O ALA A 46 5.298 4.703 11.775 1.00 11.15 O ATOM 742 CB ALA A 46 6.501 2.299 10.702 1.00 8.99 C ATOM 0 H ALA A 46 3.984 1.138 9.634 1.00 6.53 H new ATOM 0 HA ALA A 46 4.684 1.869 11.674 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.001 2.603 11.622 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.705 1.246 10.509 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.873 2.899 9.872 1.00 8.99 H new ATOM 748 N GLY A 47 3.139 3.970 11.445 1.00 9.35 N ATOM 749 CA GLY A 47 2.464 5.216 11.900 1.00 11.68 C ATOM 750 C GLY A 47 2.479 6.357 10.911 1.00 11.14 C ATOM 751 O GLY A 47 2.035 7.447 11.235 1.00 13.93 O ATOM 0 H GLY A 47 2.499 3.219 11.187 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.428 4.980 12.142 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.939 5.550 12.823 1.00 11.68 H new ATOM 755 N LYS A 48 2.859 6.118 9.608 1.00 10.47 N ATOM 756 CA LYS A 48 2.864 7.255 8.666 1.00 8.82 C ATOM 757 C LYS A 48 1.858 6.866 7.504 1.00 7.68 C ATOM 758 O LYS A 48 2.020 5.857 6.847 1.00 6.47 O ATOM 759 CB LYS A 48 4.254 7.368 8.051 1.00 9.74 C ATOM 760 CG LYS A 48 5.294 7.727 9.153 1.00 14.14 C ATOM 761 CD LYS A 48 6.667 8.174 8.567 1.00 16.32 C ATOM 762 CE LYS A 48 7.524 7.043 8.070 1.00 20.04 C ATOM 763 NZ LYS A 48 8.787 7.676 7.596 1.00 23.92 N ATOM 0 H LYS A 48 3.142 5.216 9.225 1.00 10.47 H new ATOM 0 HA LYS A 48 2.592 8.188 9.160 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.527 6.427 7.573 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.256 8.132 7.274 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.894 8.526 9.777 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.444 6.862 9.799 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.490 8.868 7.746 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.216 8.721 9.334 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.721 6.322 8.864 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.030 6.502 7.263 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.430 6.942 7.236 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.572 8.352 6.835 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.242 8.177 8.386 1.00 23.92 H new ATOM 777 N GLN A 49 0.835 7.685 7.296 1.00 8.89 N ATOM 778 CA GLN A 49 0.010 7.489 6.079 1.00 7.18 C ATOM 779 C GLN A 49 0.778 7.815 4.805 1.00 8.23 C ATOM 780 O GLN A 49 1.362 8.913 4.763 1.00 9.70 O ATOM 781 CB GLN A 49 -1.270 8.402 6.162 1.00 11.67 C ATOM 782 CG GLN A 49 -2.073 8.203 7.469 1.00 15.82 C ATOM 783 CD GLN A 49 -2.929 9.396 7.802 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.305 10.463 8.110 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.269 9.342 7.748 1.00 20.67 N ATOM 0 H GLN A 49 0.555 8.453 7.906 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.271 6.437 6.037 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.970 9.447 6.083 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.916 8.190 5.310 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.705 7.320 7.373 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.383 8.013 8.291 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.735 8.470 7.497 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.822 10.173 7.957 1.00 20.67 H new ATOM 794 N LEU A 50 0.751 6.838 3.907 1.00 6.51 N ATOM 795 CA LEU A 50 1.537 6.870 2.691 1.00 7.41 C ATOM 796 C LEU A 50 0.773 7.578 1.574 1.00 8.27 C ATOM 797 O LEU A 50 -0.393 7.271 1.365 1.00 8.34 O ATOM 798 CB LEU A 50 2.082 5.510 2.206 1.00 7.13 C ATOM 799 CG LEU A 50 2.792 4.589 3.216 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.216 3.278 2.521 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.966 5.345 3.924 1.00 9.11 C ATOM 0 H LEU A 50 0.179 5.999 4.007 1.00 6.51 H new ATOM 0 HA LEU A 50 2.428 7.438 2.957 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.247 4.952 1.782 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.780 5.706 1.392 1.00 7.13 H new ATOM 0 HG LEU A 50 2.105 4.307 4.013 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.718 2.631 3.240 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.333 2.771 2.131 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.897 3.505 1.701 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.454 4.676 4.633 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.690 5.673 3.178 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.573 6.212 4.454 1.00 9.11 H new ATOM 813 N GLU A 51 1.510 8.462 0.890 1.00 9.43 N ATOM 814 CA GLU A 51 0.886 9.340 -0.110 1.00 11.90 C ATOM 815 C GLU A 51 1.085 8.835 -1.505 1.00 11.49 C ATOM 816 O GLU A 51 2.175 8.460 -1.966 1.00 9.88 O ATOM 817 CB GLU A 51 1.439 10.795 -0.118 1.00 16.56 C ATOM 818 CG GLU A 51 1.561 11.442 1.250 1.00 26.06 C ATOM 819 CD GLU A 51 2.386 12.763 1.104 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.864 13.720 0.461 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.456 12.822 1.728 1.00 32.13 O ATOM 0 H GLU A 51 2.516 8.588 1.005 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.163 9.340 0.185 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.421 10.792 -0.591 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.789 11.412 -0.738 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.573 11.656 1.657 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.053 10.764 1.947 1.00 26.06 H new ATOM 828 N ASP A 52 0.029 8.771 -2.267 1.00 12.71 N ATOM 829 CA ASP A 52 -0.097 8.144 -3.589 1.00 16.56 C ATOM 830 C ASP A 52 1.048 8.375 -4.582 1.00 15.83 C ATOM 831 O ASP A 52 1.560 7.461 -5.306 1.00 17.21 O ATOM 832 CB ASP A 52 -1.417 8.538 -4.251 1.00 21.05 C ATOM 833 CG ASP A 52 -2.593 7.942 -3.385 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.692 8.202 -2.205 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.333 7.084 -3.971 1.00 28.37 O ATOM 0 H ASP A 52 -0.853 9.188 -1.969 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.057 7.079 -3.359 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.503 9.623 -4.315 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.462 8.154 -5.270 1.00 21.05 H new ATOM 840 N GLY A 53 1.511 9.639 -4.661 1.00 15.00 N ATOM 841 CA GLY A 53 2.442 10.023 -5.734 1.00 11.77 C ATOM 842 C GLY A 53 3.836 9.751 -5.364 1.00 11.10 C ATOM 843 O GLY A 53 4.737 10.058 -6.161 1.00 11.25 O ATOM 0 H GLY A 53 1.264 10.389 -4.015 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.194 9.477 -6.644 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.324 11.084 -5.956 1.00 11.77 H new ATOM 847 N ARG A 54 4.091 9.357 -4.124 1.00 8.53 N ATOM 848 CA ARG A 54 5.395 9.181 -3.652 1.00 9.05 C ATOM 849 C ARG A 54 5.870 7.731 -4.002 1.00 8.96 C ATOM 850 O ARG A 54 5.161 6.879 -4.425 1.00 11.60 O ATOM 851 CB ARG A 54 5.490 9.536 -2.200 1.00 7.97 C ATOM 852 CG ARG A 54 5.130 10.937 -1.918 1.00 9.62 C ATOM 853 CD ARG A 54 5.226 11.238 -0.418 1.00 12.20 C ATOM 854 NE ARG A 54 6.564 11.133 0.128 1.00 18.23 N ATOM 855 CZ ARG A 54 6.847 11.485 1.353 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.990 11.909 2.260 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.147 11.499 1.719 1.00 23.38 N ATOM 0 H ARG A 54 3.367 9.156 -3.434 1.00 8.53 H new ATOM 0 HA ARG A 54 6.083 9.866 -4.148 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.836 8.878 -1.629 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.507 9.353 -1.854 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.792 11.604 -2.469 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.116 11.133 -2.268 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.851 12.245 -0.237 1.00 12.20 H new ATOM 0 HD3 ARG A 54 4.572 10.552 0.121 1.00 12.20 H new ATOM 0 HE ARG A 54 7.311 10.772 -0.465 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.999 11.986 2.029 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.317 12.160 3.193 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.869 11.240 1.047 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.407 11.769 2.668 1.00 23.38 H new ATOM 871 N THR A 55 7.190 7.492 -3.941 1.00 9.05 N ATOM 872 CA THR A 55 7.765 6.146 -4.320 1.00 9.03 C ATOM 873 C THR A 55 7.930 5.252 -3.122 1.00 8.15 C ATOM 874 O THR A 55 7.997 5.680 -2.006 1.00 5.91 O ATOM 875 CB THR A 55 9.096 6.215 -5.081 1.00 11.15 C ATOM 876 OG1 THR A 55 10.063 6.921 -4.385 1.00 11.95 O ATOM 877 CG2 THR A 55 8.837 6.781 -6.521 1.00 11.71 C ATOM 0 H THR A 55 7.882 8.180 -3.644 1.00 9.05 H new ATOM 0 HA THR A 55 7.027 5.724 -5.002 1.00 9.03 H new ATOM 0 HB THR A 55 9.503 5.209 -5.179 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.918 6.444 -4.438 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.779 6.832 -7.067 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.146 6.125 -7.051 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.405 7.779 -6.447 1.00 11.71 H new ATOM 885 N LEU A 56 8.015 3.884 -3.235 1.00 6.91 N ATOM 886 CA LEU A 56 8.569 3.020 -2.184 1.00 8.29 C ATOM 887 C LEU A 56 9.995 3.365 -1.836 1.00 8.05 C ATOM 888 O LEU A 56 10.260 3.388 -0.667 1.00 10.17 O ATOM 889 CB LEU A 56 8.626 1.587 -2.764 1.00 6.60 C ATOM 890 CG LEU A 56 7.333 0.785 -2.939 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.804 -0.522 -3.655 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.550 0.646 -1.600 1.00 8.64 C ATOM 0 H LEU A 56 7.698 3.373 -4.059 1.00 6.91 H new ATOM 0 HA LEU A 56 7.945 3.133 -1.298 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.104 1.651 -3.742 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.287 1.003 -2.123 1.00 6.60 H new ATOM 0 HG LEU A 56 6.569 1.263 -3.552 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.946 -1.171 -3.828 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.265 -0.268 -4.609 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.530 -1.039 -3.027 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.640 0.071 -1.769 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.172 0.134 -0.866 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.289 1.636 -1.227 1.00 8.64 H new ATOM 904 N SER A 57 10.854 3.709 -2.762 1.00 8.92 N ATOM 905 CA SER A 57 12.119 4.391 -2.494 1.00 9.00 C ATOM 906 C SER A 57 12.097 5.675 -1.602 1.00 9.44 C ATOM 907 O SER A 57 13.019 5.806 -0.794 1.00 10.91 O ATOM 908 CB SER A 57 12.967 4.497 -3.734 1.00 10.32 C ATOM 909 OG SER A 57 12.367 5.408 -4.673 1.00 13.59 O ATOM 0 H SER A 57 10.699 3.523 -3.753 1.00 8.92 H new ATOM 0 HA SER A 57 12.621 3.716 -1.801 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.967 4.842 -3.471 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.079 3.514 -4.191 1.00 10.32 H new ATOM 0 HG SER A 57 11.734 4.922 -5.241 1.00 13.59 H new ATOM 915 N ASP A 58 11.066 6.543 -1.631 1.00 9.11 N ATOM 916 CA ASP A 58 10.957 7.741 -0.776 1.00 7.91 C ATOM 917 C ASP A 58 10.682 7.442 0.688 1.00 9.12 C ATOM 918 O ASP A 58 11.319 7.944 1.624 1.00 8.61 O ATOM 919 CB ASP A 58 9.831 8.535 -1.348 1.00 8.41 C ATOM 920 CG ASP A 58 9.685 9.971 -0.722 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.182 10.222 0.384 1.00 10.05 O ATOM 922 OD2 ASP A 58 8.948 10.760 -1.337 1.00 11.70 O ATOM 0 H ASP A 58 10.272 6.429 -2.261 1.00 9.11 H new ATOM 0 HA ASP A 58 11.911 8.268 -0.777 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.976 8.631 -2.424 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.900 7.988 -1.199 1.00 8.41 H new ATOM 927 N TYR A 59 9.801 6.469 0.914 1.00 7.97 N ATOM 928 CA TYR A 59 9.494 5.959 2.270 1.00 8.45 C ATOM 929 C TYR A 59 10.439 4.838 2.647 1.00 10.98 C ATOM 930 O TYR A 59 10.381 4.356 3.797 1.00 12.95 O ATOM 931 CB TYR A 59 8.077 5.433 2.324 1.00 7.94 C ATOM 932 CG TYR A 59 7.198 6.633 2.352 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.045 7.270 3.580 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.533 7.006 1.167 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.971 8.185 3.706 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.507 7.943 1.276 1.00 6.52 C ATOM 937 CZ TYR A 59 5.163 8.443 2.588 1.00 6.76 C ATOM 938 OH TYR A 59 4.007 9.214 2.678 1.00 7.63 O ATOM 0 H TYR A 59 9.276 6.006 0.172 1.00 7.97 H new ATOM 0 HA TYR A 59 9.611 6.785 2.971 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.859 4.809 1.457 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.923 4.815 3.209 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.717 7.075 4.403 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.807 6.583 0.212 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.777 8.676 4.648 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.980 8.288 0.399 1.00 6.52 H new ATOM 0 HH TYR A 59 4.148 10.069 2.221 1.00 7.63 H new ATOM 948 N ASN A 60 11.366 4.483 1.736 1.00 12.38 N ATOM 949 CA ASN A 60 12.507 3.469 1.900 1.00 13.94 C ATOM 950 C ASN A 60 11.943 2.158 2.452 1.00 14.16 C ATOM 951 O ASN A 60 12.413 1.607 3.423 1.00 14.26 O ATOM 952 CB ASN A 60 13.757 3.987 2.667 1.00 19.23 C ATOM 953 CG ASN A 60 14.356 5.146 1.947 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.277 5.107 1.121 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.856 6.396 2.297 1.00 24.09 N ATOM 0 H ASN A 60 11.368 4.899 0.805 1.00 12.38 H new ATOM 0 HA ASN A 60 12.917 3.287 0.906 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.476 4.283 3.678 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.492 3.188 2.761 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.248 7.238 1.876 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.097 6.470 2.974 1.00 24.09 H new ATOM 962 N ILE A 61 10.839 1.645 1.859 1.00 11.08 N ATOM 963 CA ILE A 61 10.137 0.436 2.343 1.00 11.78 C ATOM 964 C ILE A 61 11.021 -0.708 2.123 1.00 13.74 C ATOM 965 O ILE A 61 11.259 -0.998 0.928 1.00 14.60 O ATOM 966 CB ILE A 61 8.837 0.250 1.656 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.773 1.438 1.791 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.208 -1.132 2.073 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.515 1.838 3.219 1.00 11.42 C ATOM 0 H ILE A 61 10.411 2.059 1.031 1.00 11.08 H new ATOM 0 HA ILE A 61 9.909 0.538 3.404 1.00 11.78 H new ATOM 0 HB ILE A 61 9.082 0.263 0.594 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.132 2.305 1.236 1.00 11.56 H new ATOM 0 HG13 ILE A 61 6.834 1.131 1.330 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.252 -1.265 1.566 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.884 -1.939 1.791 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.052 -1.150 3.152 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.785 2.647 3.244 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.127 0.983 3.772 1.00 11.42 H new ATOM 0 HD13 ILE A 61 8.445 2.174 3.676 1.00 11.42 H new ATOM 981 N GLN A 62 11.614 -1.410 3.150 1.00 13.97 N ATOM 982 CA GLN A 62 12.443 -2.591 3.092 1.00 15.52 C ATOM 983 C GLN A 62 11.658 -3.815 2.756 1.00 13.94 C ATOM 984 O GLN A 62 10.459 -4.003 2.983 1.00 12.15 O ATOM 985 CB GLN A 62 13.149 -2.961 4.442 1.00 19.53 C ATOM 986 CG GLN A 62 14.332 -1.963 4.763 1.00 26.38 C ATOM 987 CD GLN A 62 15.224 -2.387 5.931 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.197 -3.143 5.737 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.841 -1.997 7.170 1.00 32.71 N ATOM 0 H GLN A 62 11.489 -1.104 4.115 1.00 13.97 H new ATOM 0 HA GLN A 62 13.175 -2.322 2.330 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.421 -2.939 5.253 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.534 -3.979 4.387 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.950 -1.854 3.872 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.912 -0.981 4.981 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.039 -1.377 7.284 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.355 -2.323 7.989 1.00 32.71 H new ATOM 998 N LYS A 63 12.359 -4.778 2.169 1.00 11.73 N ATOM 999 CA LYS A 63 11.820 -6.061 1.953 1.00 11.97 C ATOM 1000 C LYS A 63 11.336 -6.843 3.223 1.00 10.41 C ATOM 1001 O LYS A 63 11.996 -6.766 4.266 1.00 9.59 O ATOM 1002 CB LYS A 63 12.936 -6.882 1.289 1.00 13.73 C ATOM 1003 CG LYS A 63 14.089 -7.334 2.188 1.00 16.98 C ATOM 1004 CD LYS A 63 15.148 -8.007 1.257 1.00 20.19 C ATOM 1005 CE LYS A 63 16.300 -8.729 1.962 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.786 -9.613 3.006 1.00 25.97 N ATOM 0 H LYS A 63 13.317 -4.663 1.839 1.00 11.73 H new ATOM 0 HA LYS A 63 10.919 -5.924 1.355 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.486 -7.769 0.843 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.353 -6.291 0.473 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.523 -6.485 2.717 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.738 -8.036 2.945 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.635 -8.723 0.615 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.570 -7.241 0.606 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.873 -9.307 1.237 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.982 -7.999 2.398 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.547 -10.241 3.335 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.439 -9.043 3.804 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.006 -10.185 2.624 1.00 25.97 H new ATOM 1020 N GLU A 64 10.158 -7.405 3.114 1.00 10.04 N ATOM 1021 CA GLU A 64 9.430 -8.033 4.189 1.00 10.94 C ATOM 1022 C GLU A 64 8.867 -7.061 5.179 1.00 9.74 C ATOM 1023 O GLU A 64 8.631 -7.387 6.326 1.00 9.42 O ATOM 1024 CB GLU A 64 10.205 -9.229 4.876 1.00 18.31 C ATOM 1025 CG GLU A 64 10.825 -10.294 3.923 1.00 24.16 C ATOM 1026 CD GLU A 64 11.270 -11.651 4.538 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.204 -11.786 5.794 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.674 -12.599 3.816 1.00 31.72 O ATOM 0 H GLU A 64 9.655 -7.439 2.227 1.00 10.04 H new ATOM 0 HA GLU A 64 8.569 -8.490 3.702 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.005 -8.811 5.487 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.518 -9.736 5.554 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.098 -10.505 3.139 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.693 -9.845 3.440 1.00 24.16 H new ATOM 1035 N SER A 65 8.501 -5.804 4.799 1.00 6.85 N ATOM 1036 CA SER A 65 7.912 -4.826 5.674 1.00 6.90 C ATOM 1037 C SER A 65 6.454 -4.962 5.438 1.00 4.72 C ATOM 1038 O SER A 65 5.927 -5.139 4.295 1.00 3.91 O ATOM 1039 CB SER A 65 8.336 -3.404 5.347 1.00 7.28 C ATOM 1040 OG SER A 65 9.711 -3.206 5.343 1.00 10.56 O ATOM 0 H SER A 65 8.623 -5.464 3.845 1.00 6.85 H new ATOM 0 HA SER A 65 8.221 -4.998 6.705 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.939 -3.134 4.368 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.885 -2.727 6.072 1.00 7.28 H new ATOM 0 HG SER A 65 10.121 -3.770 4.654 1.00 10.56 H new ATOM 1046 N THR A 66 5.720 -4.840 6.507 1.00 4.48 N ATOM 1047 CA THR A 66 4.240 -4.861 6.450 1.00 3.80 C ATOM 1048 C THR A 66 3.567 -3.496 6.378 1.00 4.60 C ATOM 1049 O THR A 66 3.727 -2.644 7.255 1.00 5.33 O ATOM 1050 CB THR A 66 3.673 -5.589 7.747 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.150 -6.911 7.820 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.174 -5.750 7.655 1.00 3.40 C ATOM 0 H THR A 66 6.101 -4.723 7.446 1.00 4.48 H new ATOM 0 HA THR A 66 4.008 -5.383 5.521 1.00 3.80 H new ATOM 0 HB THR A 66 3.980 -4.981 8.598 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.793 -7.344 8.624 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.806 -6.250 8.551 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.707 -4.769 7.569 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.925 -6.348 6.778 1.00 3.40 H new ATOM 1060 N LEU A 67 2.790 -3.285 5.280 1.00 4.17 N ATOM 1061 CA LEU A 67 2.000 -2.095 5.109 1.00 3.85 C ATOM 1062 C LEU A 67 0.620 -2.349 5.750 1.00 3.80 C ATOM 1063 O LEU A 67 0.162 -3.531 5.821 1.00 5.54 O ATOM 1064 CB LEU A 67 1.745 -1.736 3.666 1.00 7.18 C ATOM 1065 CG LEU A 67 2.987 -1.685 2.803 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.730 -1.222 1.380 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.181 -0.885 3.477 1.00 11.66 C ATOM 0 H LEU A 67 2.713 -3.948 4.509 1.00 4.17 H new ATOM 0 HA LEU A 67 2.558 -1.278 5.567 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.052 -2.462 3.241 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.251 -0.765 3.628 1.00 7.18 H new ATOM 0 HG LEU A 67 3.306 -2.724 2.726 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.668 -1.212 0.825 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.030 -1.903 0.897 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.307 -0.218 1.395 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.042 -0.885 2.809 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.869 0.142 3.667 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.453 -1.362 4.419 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.145 -1.321 6.181 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.429 -1.538 6.832 1.00 4.17 C ATOM 1081 C HIS A 68 -2.510 -0.912 6.031 1.00 5.32 C ATOM 1082 O HIS A 68 -2.543 0.301 5.839 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.408 -0.838 8.192 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.460 -1.477 9.113 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.890 -1.293 9.125 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.674 -2.537 9.998 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.426 -2.070 10.076 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.512 -2.837 10.670 1.00 16.30 N ATOM 0 H HIS A 68 0.116 -0.340 6.084 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.603 -2.609 6.934 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.137 0.209 8.059 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.407 -0.856 8.627 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.615 -3.047 10.141 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.475 -2.074 10.331 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.648 -3.493 11.439 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.355 -1.732 5.328 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.440 -1.302 4.463 1.00 3.97 C ATOM 1098 C LEU A 69 -5.499 -0.573 5.281 1.00 5.07 C ATOM 1099 O LEU A 69 -5.883 -1.060 6.363 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.166 -2.411 3.620 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.130 -1.871 2.488 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.967 -2.592 1.200 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.650 -1.844 2.760 1.00 9.96 C ATOM 0 H LEU A 69 -3.272 -2.748 5.369 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.939 -0.663 3.736 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.411 -3.048 3.159 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.743 -3.040 4.297 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.791 -0.836 2.457 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.654 -2.178 0.462 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.942 -2.478 0.846 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.185 -3.650 1.345 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -8.169 -1.448 1.887 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -8.001 -2.856 2.963 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.854 -1.209 3.622 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.905 0.608 4.788 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.947 1.422 5.262 1.00 6.26 C ATOM 1117 C VAL A 70 -7.821 1.829 4.075 1.00 9.22 C ATOM 1118 O VAL A 70 -7.363 1.693 2.912 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.411 2.607 6.131 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.418 3.684 6.544 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.780 2.147 7.455 1.00 8.54 C ATOM 0 H VAL A 70 -5.447 1.021 3.975 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.583 0.871 5.954 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.694 3.037 5.431 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.914 4.444 7.142 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.842 4.146 5.653 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.216 3.230 7.132 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.428 3.016 8.011 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.524 1.614 8.047 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.940 1.484 7.247 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.041 2.246 4.287 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.954 2.709 3.205 1.00 16.06 C ATOM 1133 C LEU A 71 -10.086 4.174 3.221 1.00 18.09 C ATOM 1134 O LEU A 71 -10.315 4.853 4.202 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.409 2.041 3.323 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.428 0.540 3.169 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.888 0.068 3.086 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.625 0.055 1.965 1.00 19.57 C ATOM 0 H LEU A 71 -9.460 2.285 5.216 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.508 2.396 2.261 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.834 2.299 4.293 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.057 2.479 2.564 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.943 0.104 4.042 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.914 -1.016 2.974 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.415 0.352 3.997 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.372 0.533 2.227 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.677 -1.032 1.907 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.039 0.487 1.054 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.585 0.364 2.073 1.00 19.57 H new