USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 139:sc= 0.329 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0804 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Set 3.1: A 7 THR OG1 : rot 131:sc= 1.53 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.906 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -173:sc= 0.777 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 147:sc= 0.689 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0269 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.5 (180deg=2.26) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.05) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.247 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc=-0.00173 (180deg=-0.136) USER MOD Single : A 31 GLN : amide:sc= -0.0954 K(o=-0.095,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00316) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.643 K(o=0.64,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 59 TYR OH : rot 15:sc= 0.638 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 62 GLN : amide:sc= -0.0509 K(o=-0.051,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 0.614 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.531 K(o=0.53,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.451 -6.545 -4.620 1.00 9.67 N ATOM 2 CA MET A 1 11.459 -7.123 -3.206 1.00 10.38 C ATOM 3 C MET A 1 10.063 -7.546 -2.712 1.00 9.62 C ATOM 4 O MET A 1 9.096 -6.953 -3.175 1.00 9.62 O ATOM 5 CB MET A 1 12.140 -6.145 -2.257 1.00 13.77 C ATOM 6 CG MET A 1 11.364 -4.835 -2.010 1.00 16.29 C ATOM 7 SD MET A 1 12.275 -3.483 -1.150 1.00 17.17 S ATOM 8 CE MET A 1 10.759 -2.584 -0.627 1.00 16.11 C ATOM 0 H1 MET A 1 12.356 -6.067 -4.805 1.00 9.67 H new ATOM 0 H2 MET A 1 11.318 -7.313 -5.308 1.00 9.67 H new ATOM 0 H3 MET A 1 10.673 -5.860 -4.711 1.00 9.67 H new ATOM 0 HA MET A 1 12.035 -8.048 -3.228 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.300 -6.642 -1.300 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.124 -5.898 -2.657 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.021 -4.456 -2.973 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.475 -5.071 -1.426 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.008 -1.545 -0.410 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.020 -2.620 -1.428 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.348 -3.053 0.267 1.00 16.11 H new ATOM 20 N GLN A 2 10.075 -8.529 -1.758 1.00 9.27 N ATOM 21 CA GLN A 2 8.899 -8.903 -1.096 1.00 9.07 C ATOM 22 C GLN A 2 8.350 -7.972 0.035 1.00 8.72 C ATOM 23 O GLN A 2 9.087 -7.468 0.884 1.00 8.22 O ATOM 24 CB GLN A 2 9.012 -10.314 -0.370 1.00 14.46 C ATOM 25 CG GLN A 2 7.651 -10.980 -0.061 1.00 17.01 C ATOM 26 CD GLN A 2 7.788 -12.470 0.289 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.306 -13.339 -0.399 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.395 -12.803 1.398 1.00 19.49 N ATOM 0 H GLN A 2 10.909 -9.041 -1.470 1.00 9.27 H new ATOM 0 HA GLN A 2 8.222 -8.873 -1.950 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.599 -10.986 -0.996 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.561 -10.187 0.563 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.175 -10.458 0.769 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.994 -10.872 -0.924 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.807 -12.082 1.990 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.456 -13.784 1.671 1.00 19.49 H new ATOM 37 N ILE A 3 7.046 -7.724 0.114 1.00 5.87 N ATOM 38 CA ILE A 3 6.384 -6.947 1.177 1.00 5.07 C ATOM 39 C ILE A 3 5.077 -7.644 1.500 1.00 4.01 C ATOM 40 O ILE A 3 4.570 -8.490 0.739 1.00 4.61 O ATOM 41 CB ILE A 3 6.064 -5.453 0.736 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.206 -5.416 -0.568 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.435 -4.727 0.549 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.689 -3.980 -0.746 1.00 10.83 C ATOM 0 H ILE A 3 6.388 -8.069 -0.585 1.00 5.87 H new ATOM 0 HA ILE A 3 7.055 -6.895 2.035 1.00 5.07 H new ATOM 0 HB ILE A 3 5.470 -4.946 1.497 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.804 -5.717 -1.428 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.374 -6.116 -0.498 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.262 -3.695 0.245 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.985 -4.741 1.490 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.016 -5.238 -0.219 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.084 -3.921 -1.651 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.081 -3.703 0.115 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.534 -3.297 -0.829 1.00 10.83 H new ATOM 56 N PHE A 4 4.439 -7.353 2.660 1.00 4.55 N ATOM 57 CA PHE A 4 3.215 -8.026 3.150 1.00 4.68 C ATOM 58 C PHE A 4 2.431 -6.825 3.380 1.00 5.30 C ATOM 59 O PHE A 4 2.875 -5.860 3.975 1.00 5.58 O ATOM 60 CB PHE A 4 3.480 -8.758 4.548 1.00 4.83 C ATOM 61 CG PHE A 4 4.334 -9.957 4.367 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.783 -11.096 3.745 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.713 -9.951 4.681 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.503 -12.253 3.705 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.525 -11.155 4.630 1.00 10.61 C ATOM 66 CZ PHE A 4 5.832 -12.302 4.177 1.00 8.90 C ATOM 0 H PHE A 4 4.771 -6.626 3.294 1.00 4.55 H new ATOM 0 HA PHE A 4 2.794 -8.792 2.498 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.961 -8.066 5.240 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.530 -9.048 4.996 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.798 -11.052 3.304 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.178 -9.020 4.968 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.048 -13.147 3.305 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.567 -11.173 4.913 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.341 -13.254 4.193 1.00 8.90 H new ATOM 76 N VAL A 5 1.229 -6.783 2.904 1.00 4.44 N ATOM 77 CA VAL A 5 0.214 -5.729 3.088 1.00 3.87 C ATOM 78 C VAL A 5 -0.953 -6.380 3.789 1.00 4.93 C ATOM 79 O VAL A 5 -1.509 -7.384 3.441 1.00 6.84 O ATOM 80 CB VAL A 5 -0.231 -5.263 1.697 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.579 -4.485 1.787 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.891 -4.416 1.071 1.00 9.13 C ATOM 0 H VAL A 5 0.875 -7.541 2.321 1.00 4.44 H new ATOM 0 HA VAL A 5 0.592 -4.881 3.659 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.410 -6.124 1.052 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.880 -4.162 0.790 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.347 -5.136 2.205 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.454 -3.613 2.429 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.584 -4.080 0.081 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.089 -3.550 1.703 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.796 -5.017 0.985 1.00 9.13 H new ATOM 92 N LYS A 6 -1.270 -5.770 4.966 1.00 6.04 N ATOM 93 CA LYS A 6 -2.092 -6.347 6.010 1.00 6.12 C ATOM 94 C LYS A 6 -3.324 -5.526 6.342 1.00 6.57 C ATOM 95 O LYS A 6 -3.223 -4.340 6.740 1.00 5.76 O ATOM 96 CB LYS A 6 -1.206 -6.626 7.202 1.00 7.45 C ATOM 97 CG LYS A 6 -1.921 -7.485 8.275 1.00 11.12 C ATOM 98 CD LYS A 6 -0.974 -7.714 9.499 1.00 14.54 C ATOM 99 CE LYS A 6 -1.123 -8.986 10.270 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.522 -10.093 9.496 1.00 20.55 N ATOM 0 H LYS A 6 -0.938 -4.834 5.198 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.517 -7.285 5.653 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.304 -7.140 6.870 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.890 -5.682 7.646 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.835 -6.988 8.600 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.215 -8.444 7.848 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.054 -7.658 9.141 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.116 -6.884 10.192 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.635 -8.897 11.240 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.177 -9.189 10.461 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.725 -10.997 9.968 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.925 -10.105 8.537 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.507 -9.957 9.438 1.00 20.55 H new ATOM 114 N THR A 7 -4.503 -6.149 6.241 1.00 7.41 N ATOM 115 CA THR A 7 -5.758 -5.437 6.392 1.00 7.48 C ATOM 116 C THR A 7 -6.189 -5.256 7.868 1.00 8.75 C ATOM 117 O THR A 7 -5.849 -6.013 8.770 1.00 8.58 O ATOM 118 CB THR A 7 -6.885 -6.052 5.609 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.115 -7.395 6.044 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.601 -5.923 4.119 1.00 9.17 C ATOM 0 H THR A 7 -4.605 -7.147 6.055 1.00 7.41 H new ATOM 0 HA THR A 7 -5.553 -4.450 5.978 1.00 7.48 H new ATOM 0 HB THR A 7 -7.816 -5.517 5.794 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.071 -7.524 6.214 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.419 -6.369 3.553 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.510 -4.869 3.856 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.671 -6.438 3.880 1.00 9.17 H new ATOM 128 N LEU A 8 -7.077 -4.328 8.182 1.00 9.84 N ATOM 129 CA LEU A 8 -7.802 -4.220 9.434 1.00 14.15 C ATOM 130 C LEU A 8 -8.513 -5.462 9.738 1.00 17.37 C ATOM 131 O LEU A 8 -8.578 -5.839 10.902 1.00 17.01 O ATOM 132 CB LEU A 8 -8.790 -3.063 9.486 1.00 16.63 C ATOM 133 CG LEU A 8 -8.232 -1.607 9.459 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.316 -0.562 9.355 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.384 -1.265 10.689 1.00 18.59 C ATOM 0 H LEU A 8 -7.325 -3.585 7.529 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.035 -4.023 10.183 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.473 -3.172 8.644 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.383 -3.174 10.394 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.609 -1.585 8.565 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.865 0.430 9.341 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.883 -0.716 8.437 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.984 -0.644 10.212 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.026 -0.239 10.610 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.990 -1.369 11.589 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.533 -1.943 10.744 1.00 18.59 H new ATOM 147 N THR A 9 -9.125 -6.130 8.728 1.00 18.33 N ATOM 148 CA THR A 9 -10.017 -7.251 8.970 1.00 19.24 C ATOM 149 C THR A 9 -9.228 -8.540 9.291 1.00 19.48 C ATOM 150 O THR A 9 -9.741 -9.411 9.993 1.00 23.14 O ATOM 151 CB THR A 9 -10.737 -7.530 7.672 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.898 -7.526 6.511 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.727 -6.419 7.314 1.00 19.70 C ATOM 0 H THR A 9 -9.005 -5.897 7.742 1.00 18.33 H new ATOM 0 HA THR A 9 -10.675 -7.000 9.801 1.00 19.24 H new ATOM 0 HB THR A 9 -11.181 -8.506 7.870 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.439 -7.716 5.716 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.222 -6.662 6.374 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.473 -6.328 8.104 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.192 -5.475 7.210 1.00 19.70 H new ATOM 161 N GLY A 10 -7.907 -8.563 8.874 1.00 19.43 N ATOM 162 CA GLY A 10 -7.048 -9.576 9.333 1.00 18.74 C ATOM 163 C GLY A 10 -6.473 -10.521 8.341 1.00 17.62 C ATOM 164 O GLY A 10 -6.217 -11.676 8.649 1.00 19.74 O ATOM 0 H GLY A 10 -7.483 -7.886 8.240 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.219 -9.097 9.854 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.593 -10.163 10.073 1.00 18.74 H new ATOM 168 N LYS A 11 -6.310 -10.086 7.114 1.00 13.56 N ATOM 169 CA LYS A 11 -5.824 -10.912 5.955 1.00 11.91 C ATOM 170 C LYS A 11 -4.513 -10.322 5.531 1.00 10.18 C ATOM 171 O LYS A 11 -4.281 -9.128 5.636 1.00 9.10 O ATOM 172 CB LYS A 11 -6.827 -11.034 4.802 1.00 13.43 C ATOM 173 CG LYS A 11 -6.386 -11.943 3.668 1.00 16.69 C ATOM 174 CD LYS A 11 -7.480 -12.070 2.554 1.00 17.92 C ATOM 175 CE LYS A 11 -6.982 -12.708 1.258 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.007 -12.728 0.212 1.00 21.93 N ATOM 0 H LYS A 11 -6.509 -9.121 6.852 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.701 -11.948 6.272 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.772 -11.404 5.199 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.018 -10.040 4.399 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.467 -11.555 3.230 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.157 -12.932 4.065 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.310 -12.661 2.941 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.872 -11.078 2.330 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.111 -12.160 0.898 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.655 -13.728 1.461 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.668 -13.288 -0.596 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.878 -13.154 0.588 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.204 -11.756 -0.100 1.00 21.93 H new ATOM 190 N THR A 12 -3.513 -11.105 5.113 1.00 9.63 N ATOM 191 CA THR A 12 -2.192 -10.649 4.658 1.00 9.85 C ATOM 192 C THR A 12 -2.051 -11.129 3.263 1.00 11.66 C ATOM 193 O THR A 12 -2.135 -12.328 2.952 1.00 12.33 O ATOM 194 CB THR A 12 -1.044 -11.207 5.472 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.196 -10.861 6.800 1.00 10.91 O ATOM 196 CG2 THR A 12 0.372 -10.715 4.990 1.00 9.63 C ATOM 0 H THR A 12 -3.605 -12.120 5.081 1.00 9.63 H new ATOM 0 HA THR A 12 -2.143 -9.565 4.760 1.00 9.85 H new ATOM 0 HB THR A 12 -1.080 -12.288 5.335 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.839 -11.576 7.367 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.144 -11.156 5.620 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.530 -11.019 3.955 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.423 -9.628 5.060 1.00 9.63 H new ATOM 204 N ILE A 13 -1.699 -10.172 2.387 1.00 10.42 N ATOM 205 CA ILE A 13 -1.484 -10.396 0.978 1.00 11.84 C ATOM 206 C ILE A 13 -0.047 -10.004 0.704 1.00 10.55 C ATOM 207 O ILE A 13 0.588 -9.242 1.432 1.00 11.92 O ATOM 208 CB ILE A 13 -2.488 -9.642 0.079 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.517 -8.120 0.295 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.931 -10.244 0.280 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.097 -7.326 -0.936 1.00 16.46 C ATOM 0 H ILE A 13 -1.557 -9.201 2.664 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.658 -11.443 0.730 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.146 -9.786 -0.946 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.117 -7.897 1.177 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.505 -7.770 0.500 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.639 -9.711 -0.355 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.925 -11.300 0.011 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.228 -10.137 1.323 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.089 -6.258 -0.717 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.484 -7.520 -1.816 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.120 -7.649 -1.128 1.00 16.46 H new ATOM 223 N THR A 14 0.538 -10.565 -0.341 1.00 9.39 N ATOM 224 CA THR A 14 2.011 -10.707 -0.515 1.00 9.63 C ATOM 225 C THR A 14 2.258 -10.133 -1.871 1.00 11.20 C ATOM 226 O THR A 14 1.785 -10.600 -2.876 1.00 11.63 O ATOM 227 CB THR A 14 2.529 -12.143 -0.513 1.00 10.38 C ATOM 228 OG1 THR A 14 1.976 -12.874 0.623 1.00 16.30 O ATOM 229 CG2 THR A 14 4.043 -12.082 -0.312 1.00 11.66 C ATOM 0 H THR A 14 0.007 -10.950 -1.122 1.00 9.39 H new ATOM 0 HA THR A 14 2.521 -10.221 0.317 1.00 9.63 H new ATOM 0 HB THR A 14 2.250 -12.635 -1.445 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.313 -13.794 0.615 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.450 -13.093 -0.305 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.495 -11.514 -1.125 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.265 -11.595 0.638 1.00 11.66 H new ATOM 237 N LEU A 15 3.106 -9.114 -1.894 1.00 8.29 N ATOM 238 CA LEU A 15 3.457 -8.285 -3.058 1.00 9.03 C ATOM 239 C LEU A 15 4.939 -8.160 -3.266 1.00 8.59 C ATOM 240 O LEU A 15 5.777 -8.214 -2.325 1.00 7.79 O ATOM 241 CB LEU A 15 2.828 -6.881 -2.877 1.00 11.08 C ATOM 242 CG LEU A 15 1.330 -6.777 -2.860 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.859 -5.361 -2.610 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.691 -7.251 -4.137 1.00 15.27 C ATOM 0 H LEU A 15 3.602 -8.819 -1.053 1.00 8.29 H new ATOM 0 HA LEU A 15 3.062 -8.777 -3.947 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.202 -6.465 -1.941 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.198 -6.243 -3.680 1.00 11.08 H new ATOM 0 HG LEU A 15 1.022 -7.427 -2.041 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.231 -5.335 -2.606 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.233 -5.018 -1.645 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.235 -4.708 -3.398 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.392 -7.150 -4.061 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.054 -6.650 -4.971 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.947 -8.297 -4.306 1.00 15.27 H new ATOM 256 N GLU A 16 5.285 -7.986 -4.552 1.00 11.04 N ATOM 257 CA GLU A 16 6.624 -7.885 -5.105 1.00 11.50 C ATOM 258 C GLU A 16 6.659 -6.554 -5.763 1.00 10.13 C ATOM 259 O GLU A 16 5.929 -6.243 -6.716 1.00 9.83 O ATOM 260 CB GLU A 16 6.824 -8.990 -6.150 1.00 17.22 C ATOM 261 CG GLU A 16 8.160 -9.066 -6.828 1.00 23.33 C ATOM 262 CD GLU A 16 9.379 -9.242 -5.875 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.260 -10.132 -5.009 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.404 -8.486 -6.021 1.00 28.86 O ATOM 0 H GLU A 16 4.573 -7.908 -5.279 1.00 11.04 H new ATOM 0 HA GLU A 16 7.403 -7.993 -4.351 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.637 -9.949 -5.666 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.062 -8.867 -6.920 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.146 -9.899 -7.531 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.305 -8.158 -7.413 1.00 23.33 H new ATOM 271 N VAL A 17 7.429 -5.654 -5.108 1.00 8.99 N ATOM 272 CA VAL A 17 7.478 -4.242 -5.429 1.00 8.85 C ATOM 273 C VAL A 17 8.902 -3.833 -5.701 1.00 8.04 C ATOM 274 O VAL A 17 9.857 -4.474 -5.239 1.00 8.99 O ATOM 275 CB VAL A 17 6.940 -3.324 -4.295 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.443 -3.518 -4.220 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.660 -3.632 -2.997 1.00 10.54 C ATOM 0 H VAL A 17 8.038 -5.912 -4.331 1.00 8.99 H new ATOM 0 HA VAL A 17 6.837 -4.114 -6.302 1.00 8.85 H new ATOM 0 HB VAL A 17 7.134 -2.271 -4.497 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.033 -2.886 -3.432 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.993 -3.246 -5.174 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.222 -4.562 -4.000 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.278 -2.985 -2.207 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.492 -4.674 -2.726 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.729 -3.458 -3.124 1.00 10.54 H new ATOM 287 N GLU A 18 9.083 -2.860 -6.653 1.00 7.29 N ATOM 288 CA GLU A 18 10.409 -2.268 -6.958 1.00 7.08 C ATOM 289 C GLU A 18 10.498 -1.126 -5.944 1.00 6.45 C ATOM 290 O GLU A 18 9.510 -0.380 -5.878 1.00 5.28 O ATOM 291 CB GLU A 18 10.519 -1.982 -8.415 1.00 10.28 C ATOM 292 CG GLU A 18 11.940 -1.592 -8.845 1.00 12.65 C ATOM 293 CD GLU A 18 12.025 -1.453 -10.385 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.000 -0.991 -10.969 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.062 -1.698 -10.948 1.00 14.33 O ATOM 0 H GLU A 18 8.322 -2.478 -7.215 1.00 7.29 H new ATOM 0 HA GLU A 18 11.292 -2.894 -6.830 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.204 -2.861 -8.977 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.833 -1.176 -8.674 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.223 -0.651 -8.373 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.649 -2.346 -8.503 1.00 12.65 H new ATOM 302 N PRO A 19 11.506 -0.861 -5.162 1.00 7.24 N ATOM 303 CA PRO A 19 11.551 0.167 -4.137 1.00 7.07 C ATOM 304 C PRO A 19 11.542 1.483 -4.771 1.00 6.65 C ATOM 305 O PRO A 19 11.344 2.521 -4.116 1.00 6.37 O ATOM 306 CB PRO A 19 12.851 -0.189 -3.343 1.00 7.61 C ATOM 307 CG PRO A 19 13.722 -1.029 -4.302 1.00 8.16 C ATOM 308 CD PRO A 19 12.726 -1.719 -5.109 1.00 7.49 C ATOM 0 HA PRO A 19 10.699 0.204 -3.458 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.376 0.714 -3.030 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.614 -0.750 -2.439 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.375 -0.403 -4.911 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.362 -1.727 -3.763 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.108 -1.902 -6.113 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.491 -2.691 -4.676 1.00 7.49 H new ATOM 316 N SER A 20 11.746 1.494 -6.069 1.00 6.80 N ATOM 317 CA SER A 20 11.684 2.685 -6.861 1.00 6.28 C ATOM 318 C SER A 20 10.396 2.985 -7.552 1.00 8.45 C ATOM 319 O SER A 20 10.247 3.944 -8.299 1.00 7.26 O ATOM 320 CB SER A 20 12.754 2.722 -7.917 1.00 8.57 C ATOM 321 OG SER A 20 12.584 1.676 -8.860 1.00 11.13 O ATOM 0 H SER A 20 11.963 0.655 -6.607 1.00 6.80 H new ATOM 0 HA SER A 20 11.820 3.446 -6.093 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.729 3.684 -8.429 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.734 2.636 -7.448 1.00 8.57 H new ATOM 0 HG SER A 20 13.293 1.726 -9.535 1.00 11.13 H new ATOM 327 N ASP A 21 9.443 2.013 -7.400 1.00 7.50 N ATOM 328 CA ASP A 21 8.035 2.247 -7.697 1.00 7.70 C ATOM 329 C ASP A 21 7.301 3.161 -6.705 1.00 7.08 C ATOM 330 O ASP A 21 7.603 3.155 -5.508 1.00 8.11 O ATOM 331 CB ASP A 21 7.205 0.952 -7.886 1.00 11.00 C ATOM 332 CG ASP A 21 7.326 0.494 -9.303 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.927 1.243 -10.133 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.929 -0.667 -9.624 1.00 14.36 O ATOM 0 H ASP A 21 9.648 1.069 -7.073 1.00 7.50 H new ATOM 0 HA ASP A 21 8.098 2.772 -8.650 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.561 0.176 -7.209 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.160 1.136 -7.639 1.00 11.00 H new ATOM 339 N THR A 22 6.350 3.991 -7.177 1.00 5.37 N ATOM 340 CA THR A 22 5.598 4.801 -6.253 1.00 6.01 C ATOM 341 C THR A 22 4.402 3.965 -5.741 1.00 8.01 C ATOM 342 O THR A 22 4.025 2.898 -6.298 1.00 8.11 O ATOM 343 CB THR A 22 5.120 6.171 -6.905 1.00 8.92 C ATOM 344 OG1 THR A 22 4.392 5.899 -8.091 1.00 10.22 O ATOM 345 CG2 THR A 22 6.342 6.964 -7.265 1.00 9.65 C ATOM 0 H THR A 22 6.104 4.103 -8.161 1.00 5.37 H new ATOM 0 HA THR A 22 6.239 5.082 -5.417 1.00 6.01 H new ATOM 0 HB THR A 22 4.490 6.721 -6.206 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.095 6.742 -8.493 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.042 7.910 -7.715 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.927 7.159 -6.366 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.946 6.400 -7.976 1.00 9.65 H new ATOM 353 N ILE A 23 3.771 4.514 -4.627 1.00 8.32 N ATOM 354 CA ILE A 23 2.654 3.944 -3.859 1.00 9.92 C ATOM 355 C ILE A 23 1.450 3.665 -4.738 1.00 10.01 C ATOM 356 O ILE A 23 0.692 2.688 -4.625 1.00 8.71 O ATOM 357 CB ILE A 23 2.239 4.943 -2.825 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.294 5.096 -1.687 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.900 4.552 -2.150 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.762 3.777 -1.005 1.00 12.30 C ATOM 0 H ILE A 23 4.068 5.413 -4.247 1.00 8.32 H new ATOM 0 HA ILE A 23 2.989 3.006 -3.417 1.00 9.92 H new ATOM 0 HB ILE A 23 2.136 5.883 -3.368 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.170 5.600 -2.096 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.879 5.750 -0.920 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.635 5.303 -1.406 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.115 4.495 -2.904 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.007 3.582 -1.664 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.494 4.007 -0.231 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.905 3.276 -0.556 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.215 3.123 -1.750 1.00 12.30 H new ATOM 372 N GLU A 24 1.244 4.557 -5.734 1.00 9.54 N ATOM 373 CA GLU A 24 0.276 4.449 -6.750 1.00 11.81 C ATOM 374 C GLU A 24 0.289 3.093 -7.514 1.00 11.14 C ATOM 375 O GLU A 24 -0.745 2.462 -7.823 1.00 10.62 O ATOM 376 CB GLU A 24 0.542 5.598 -7.765 1.00 19.24 C ATOM 377 CG GLU A 24 -0.478 5.756 -8.855 1.00 27.76 C ATOM 378 CD GLU A 24 -0.194 7.037 -9.595 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.850 7.080 -10.322 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.898 8.048 -9.387 1.00 34.80 O ATOM 0 H GLU A 24 1.803 5.406 -5.818 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.703 4.512 -6.274 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.606 6.536 -7.214 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.516 5.432 -8.226 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.437 4.907 -9.538 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.483 5.777 -8.433 1.00 27.76 H new ATOM 387 N ASN A 25 1.503 2.608 -7.870 1.00 9.43 N ATOM 388 CA ASN A 25 1.722 1.189 -8.356 1.00 10.96 C ATOM 389 C ASN A 25 1.323 0.011 -7.422 1.00 9.68 C ATOM 390 O ASN A 25 0.699 -0.991 -7.793 1.00 9.33 O ATOM 391 CB ASN A 25 3.209 0.959 -8.736 1.00 16.78 C ATOM 392 CG ASN A 25 3.745 1.896 -9.855 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.410 2.903 -9.608 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.521 1.585 -11.131 1.00 24.70 N ATOM 0 H ASN A 25 2.357 3.165 -7.836 1.00 9.43 H new ATOM 0 HA ASN A 25 1.029 1.151 -9.197 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.822 1.092 -7.845 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.332 -0.075 -9.057 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.897 2.175 -11.873 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.974 0.757 -11.366 1.00 24.70 H new ATOM 401 N VAL A 26 1.633 0.119 -6.110 1.00 6.52 N ATOM 402 CA VAL A 26 1.199 -0.773 -5.054 1.00 5.53 C ATOM 403 C VAL A 26 -0.330 -0.783 -4.914 1.00 4.42 C ATOM 404 O VAL A 26 -0.950 -1.850 -4.808 1.00 3.40 O ATOM 405 CB VAL A 26 1.734 -0.404 -3.654 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.415 -1.455 -2.536 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.215 -0.219 -3.892 1.00 8.12 C ATOM 0 H VAL A 26 2.223 0.874 -5.760 1.00 6.52 H new ATOM 0 HA VAL A 26 1.598 -1.740 -5.361 1.00 5.53 H new ATOM 0 HB VAL A 26 1.248 0.487 -3.257 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.828 -1.114 -1.587 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.335 -1.569 -2.441 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.859 -2.414 -2.801 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.703 0.049 -2.955 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.641 -1.148 -4.271 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.370 0.576 -4.622 1.00 8.12 H new ATOM 417 N LYS A 27 -1.005 0.436 -4.976 1.00 2.64 N ATOM 418 CA LYS A 27 -2.492 0.472 -4.944 1.00 4.14 C ATOM 419 C LYS A 27 -3.140 -0.250 -6.157 1.00 5.58 C ATOM 420 O LYS A 27 -4.179 -0.862 -6.057 1.00 4.11 O ATOM 421 CB LYS A 27 -3.076 1.922 -4.667 1.00 3.97 C ATOM 422 CG LYS A 27 -2.759 2.573 -3.333 1.00 7.45 C ATOM 423 CD LYS A 27 -3.136 4.066 -3.316 1.00 9.02 C ATOM 424 CE LYS A 27 -3.463 4.674 -1.940 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.936 6.098 -2.132 1.00 15.47 N ATOM 0 H LYS A 27 -0.552 1.347 -5.044 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.789 -0.115 -4.075 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.717 2.583 -5.455 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.160 1.870 -4.764 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.297 2.054 -2.539 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.695 2.465 -3.121 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.312 4.631 -3.752 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.999 4.208 -3.966 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.233 4.085 -1.441 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.581 4.653 -1.300 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.997 6.571 -1.208 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.263 6.609 -2.738 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.874 6.095 -2.582 1.00 15.47 H new ATOM 439 N ALA A 28 -2.444 -0.128 -7.350 1.00 6.61 N ATOM 440 CA ALA A 28 -2.852 -0.910 -8.546 1.00 7.74 C ATOM 441 C ALA A 28 -2.661 -2.407 -8.437 1.00 9.17 C ATOM 442 O ALA A 28 -3.488 -3.150 -8.909 1.00 11.45 O ATOM 443 CB ALA A 28 -2.182 -0.357 -9.811 1.00 7.68 C ATOM 0 H ALA A 28 -1.637 0.480 -7.489 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.932 -0.777 -8.614 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.495 -0.944 -10.675 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.476 0.683 -9.954 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.099 -0.416 -9.705 1.00 7.68 H new ATOM 449 N LYS A 29 -1.641 -2.863 -7.695 1.00 8.96 N ATOM 450 CA LYS A 29 -1.426 -4.250 -7.457 1.00 7.90 C ATOM 451 C LYS A 29 -2.412 -4.875 -6.567 1.00 6.92 C ATOM 452 O LYS A 29 -2.836 -6.049 -6.659 1.00 6.87 O ATOM 453 CB LYS A 29 0.040 -4.589 -6.898 1.00 10.28 C ATOM 454 CG LYS A 29 1.205 -4.322 -7.876 1.00 14.94 C ATOM 455 CD LYS A 29 2.584 -4.670 -7.302 1.00 19.69 C ATOM 456 CE LYS A 29 3.716 -4.160 -8.255 1.00 22.63 C ATOM 457 NZ LYS A 29 3.571 -4.808 -9.621 1.00 24.98 N ATOM 0 H LYS A 29 -0.952 -2.255 -7.252 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.541 -4.677 -8.453 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.208 -4.005 -5.993 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.065 -5.640 -6.609 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.044 -4.900 -8.786 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.195 -3.270 -8.161 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.699 -4.219 -6.316 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.669 -5.749 -7.171 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.663 -3.075 -8.350 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.693 -4.396 -7.833 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.406 -4.587 -10.200 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.490 -5.839 -9.509 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.718 -4.442 -10.090 1.00 24.98 H new ATOM 471 N ILE A 30 -2.809 -4.129 -5.508 1.00 4.57 N ATOM 472 CA ILE A 30 -3.891 -4.402 -4.553 1.00 5.58 C ATOM 473 C ILE A 30 -5.252 -4.450 -5.247 1.00 7.26 C ATOM 474 O ILE A 30 -6.133 -5.266 -4.920 1.00 9.46 O ATOM 475 CB ILE A 30 -3.795 -3.581 -3.297 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.506 -3.925 -2.598 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.941 -3.997 -2.325 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.122 -2.863 -1.572 1.00 2.00 C ATOM 0 H ILE A 30 -2.338 -3.251 -5.289 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.761 -5.412 -4.165 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.853 -2.523 -3.553 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.607 -4.891 -2.103 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.708 -4.026 -3.334 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.877 -3.405 -1.412 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.905 -3.823 -2.803 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.844 -5.054 -2.079 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.187 -3.146 -1.088 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.996 -1.903 -2.072 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.908 -2.781 -0.822 1.00 2.00 H new ATOM 490 N GLN A 31 -5.478 -3.617 -6.317 1.00 7.06 N ATOM 491 CA GLN A 31 -6.690 -3.668 -7.157 1.00 8.67 C ATOM 492 C GLN A 31 -6.893 -4.991 -7.903 1.00 10.90 C ATOM 493 O GLN A 31 -7.989 -5.583 -7.914 1.00 9.63 O ATOM 494 CB GLN A 31 -6.643 -2.512 -8.225 1.00 9.12 C ATOM 495 CG GLN A 31 -8.016 -2.223 -8.890 1.00 10.76 C ATOM 496 CD GLN A 31 -7.774 -1.132 -9.921 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.593 -0.992 -10.340 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.826 -0.372 -10.282 1.00 14.76 N ATOM 0 H GLN A 31 -4.815 -2.898 -6.607 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.525 -3.558 -6.465 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.282 -1.602 -7.747 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.922 -2.773 -8.999 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.416 -3.121 -9.362 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.746 -1.901 -8.148 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.749 -0.559 -9.890 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.700 0.391 -10.947 1.00 14.76 H new ATOM 507 N ASP A 32 -5.756 -5.464 -8.539 1.00 10.93 N ATOM 508 CA ASP A 32 -5.723 -6.697 -9.245 1.00 14.01 C ATOM 509 C ASP A 32 -5.841 -7.885 -8.328 1.00 14.04 C ATOM 510 O ASP A 32 -6.508 -8.847 -8.675 1.00 13.39 O ATOM 511 CB ASP A 32 -4.384 -6.868 -9.980 1.00 18.01 C ATOM 512 CG ASP A 32 -4.514 -7.839 -11.110 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.440 -7.585 -11.935 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.779 -8.847 -11.124 1.00 25.17 O ATOM 0 H ASP A 32 -4.868 -4.962 -8.545 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.567 -6.661 -9.934 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.048 -5.904 -10.361 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.623 -7.217 -9.281 1.00 18.01 H new ATOM 519 N LYS A 33 -5.211 -7.880 -7.156 1.00 14.22 N ATOM 520 CA LYS A 33 -5.199 -8.980 -6.212 1.00 14.00 C ATOM 521 C LYS A 33 -6.478 -9.149 -5.368 1.00 12.37 C ATOM 522 O LYS A 33 -7.038 -10.249 -5.390 1.00 12.17 O ATOM 523 CB LYS A 33 -3.975 -8.853 -5.313 1.00 18.62 C ATOM 524 CG LYS A 33 -3.905 -10.059 -4.400 1.00 24.00 C ATOM 525 CD LYS A 33 -2.567 -10.288 -3.663 1.00 27.61 C ATOM 526 CE LYS A 33 -1.355 -10.816 -4.484 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.642 -12.167 -5.088 1.00 30.06 N ATOM 0 H LYS A 33 -4.676 -7.075 -6.831 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.156 -9.888 -6.814 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.070 -8.785 -5.917 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.034 -7.938 -4.724 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.694 -9.968 -3.654 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.126 -10.948 -4.991 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.273 -9.343 -3.206 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.751 -10.991 -2.851 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.114 -10.106 -5.276 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.479 -10.884 -3.839 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.807 -12.497 -5.614 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.865 -12.845 -4.332 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.452 -12.093 -5.736 1.00 30.06 H new ATOM 541 N GLU A 34 -7.043 -8.101 -4.710 1.00 10.11 N ATOM 542 CA GLU A 34 -8.169 -8.242 -3.755 1.00 10.07 C ATOM 543 C GLU A 34 -9.434 -7.520 -4.165 1.00 9.32 C ATOM 544 O GLU A 34 -10.436 -7.566 -3.523 1.00 11.61 O ATOM 545 CB GLU A 34 -7.778 -7.641 -2.375 1.00 14.77 C ATOM 546 CG GLU A 34 -6.691 -8.476 -1.652 1.00 18.75 C ATOM 547 CD GLU A 34 -7.235 -9.854 -1.346 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.261 -10.054 -0.683 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.551 -10.797 -1.761 1.00 25.19 O ATOM 0 H GLU A 34 -6.729 -7.138 -4.829 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.364 -9.314 -3.724 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.416 -6.622 -2.515 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.665 -7.580 -1.744 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.802 -8.555 -2.277 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.389 -7.979 -0.730 1.00 18.75 H new ATOM 556 N GLY A 35 -9.435 -6.850 -5.318 1.00 7.22 N ATOM 557 CA GLY A 35 -10.683 -6.290 -5.761 1.00 6.29 C ATOM 558 C GLY A 35 -10.972 -4.936 -5.194 1.00 6.93 C ATOM 559 O GLY A 35 -12.158 -4.575 -5.275 1.00 7.41 O ATOM 0 H GLY A 35 -8.629 -6.694 -5.923 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.675 -6.224 -6.849 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.492 -6.968 -5.489 1.00 6.29 H new ATOM 563 N ILE A 36 -9.992 -4.204 -4.594 1.00 5.86 N ATOM 564 CA ILE A 36 -10.377 -3.056 -3.866 1.00 6.07 C ATOM 565 C ILE A 36 -9.842 -1.858 -4.712 1.00 6.36 C ATOM 566 O ILE A 36 -8.614 -1.789 -4.960 1.00 6.18 O ATOM 567 CB ILE A 36 -9.576 -3.095 -2.536 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.048 -4.231 -1.646 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.876 -1.817 -1.797 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.176 -4.415 -0.428 1.00 9.49 C ATOM 0 H ILE A 36 -8.993 -4.407 -4.620 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.448 -2.989 -3.676 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.518 -3.224 -2.763 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.073 -4.037 -1.329 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.062 -5.157 -2.221 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.330 -1.806 -0.854 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.569 -0.965 -2.404 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.946 -1.754 -1.598 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.559 -5.240 0.173 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.156 -4.637 -0.741 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.182 -3.501 0.165 1.00 9.49 H new ATOM 582 N PRO A 37 -10.608 -0.938 -5.299 1.00 8.65 N ATOM 583 CA PRO A 37 -10.227 0.323 -5.885 1.00 9.18 C ATOM 584 C PRO A 37 -9.018 1.072 -5.263 1.00 9.85 C ATOM 585 O PRO A 37 -9.056 1.280 -4.072 1.00 8.51 O ATOM 586 CB PRO A 37 -11.460 1.214 -5.830 1.00 11.42 C ATOM 587 CG PRO A 37 -12.683 0.267 -5.903 1.00 9.27 C ATOM 588 CD PRO A 37 -12.118 -0.930 -5.150 1.00 8.33 C ATOM 0 HA PRO A 37 -9.875 0.093 -6.890 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.476 1.800 -4.911 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.466 1.922 -6.659 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.567 0.686 -5.422 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.964 0.023 -6.928 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.392 -0.876 -4.096 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.540 -1.855 -5.542 1.00 8.33 H new ATOM 596 N PRO A 38 -8.015 1.601 -5.989 1.00 8.71 N ATOM 597 CA PRO A 38 -6.967 2.489 -5.427 1.00 9.08 C ATOM 598 C PRO A 38 -7.459 3.712 -4.632 1.00 9.28 C ATOM 599 O PRO A 38 -6.836 4.193 -3.721 1.00 6.50 O ATOM 600 CB PRO A 38 -6.141 2.888 -6.679 1.00 10.31 C ATOM 601 CG PRO A 38 -6.228 1.702 -7.566 1.00 10.81 C ATOM 602 CD PRO A 38 -7.614 1.086 -7.344 1.00 12.00 C ATOM 0 HA PRO A 38 -6.399 1.967 -4.657 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.551 3.776 -7.160 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.107 3.115 -6.418 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.094 1.988 -8.609 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.443 0.984 -7.330 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.319 1.396 -8.116 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.577 -0.003 -7.364 1.00 12.00 H new ATOM 610 N ASP A 39 -8.641 4.161 -5.071 1.00 11.20 N ATOM 611 CA ASP A 39 -9.353 5.381 -4.643 1.00 14.96 C ATOM 612 C ASP A 39 -10.266 4.959 -3.512 1.00 13.99 C ATOM 613 O ASP A 39 -11.041 5.735 -2.922 1.00 13.75 O ATOM 614 CB ASP A 39 -10.148 5.939 -5.840 1.00 24.16 C ATOM 615 CG ASP A 39 -9.257 6.380 -6.936 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.298 7.216 -6.711 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.432 5.882 -8.083 1.00 35.55 O ATOM 0 H ASP A 39 -9.164 3.651 -5.782 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.679 6.168 -4.305 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.830 5.174 -6.212 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.760 6.778 -5.510 1.00 24.16 H new ATOM 622 N GLN A 40 -10.153 3.688 -3.059 1.00 11.60 N ATOM 623 CA GLN A 40 -10.818 3.140 -1.847 1.00 10.76 C ATOM 624 C GLN A 40 -9.744 2.685 -0.848 1.00 8.01 C ATOM 625 O GLN A 40 -10.092 2.246 0.236 1.00 8.96 O ATOM 626 CB GLN A 40 -11.948 2.065 -2.102 1.00 11.14 C ATOM 627 CG GLN A 40 -12.831 1.812 -0.845 1.00 14.85 C ATOM 628 CD GLN A 40 -14.019 0.847 -1.151 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.848 -0.368 -1.331 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.251 1.378 -1.157 1.00 18.16 N ATOM 0 H GLN A 40 -9.581 2.993 -3.539 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.396 3.954 -1.410 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.581 2.397 -2.925 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.488 1.127 -2.413 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.217 1.390 -0.049 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.220 2.762 -0.478 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.376 2.379 -1.007 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.063 0.780 -1.311 1.00 18.16 H new ATOM 639 N GLN A 41 -8.448 2.817 -1.169 1.00 6.52 N ATOM 640 CA GLN A 41 -7.392 2.327 -0.356 1.00 3.87 C ATOM 641 C GLN A 41 -6.665 3.437 0.311 1.00 4.79 C ATOM 642 O GLN A 41 -6.475 4.512 -0.253 1.00 6.34 O ATOM 643 CB GLN A 41 -6.347 1.656 -1.289 1.00 4.20 C ATOM 644 CG GLN A 41 -6.740 0.261 -1.865 1.00 3.20 C ATOM 645 CD GLN A 41 -5.631 -0.334 -2.653 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.506 -0.211 -2.277 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.950 -0.954 -3.821 1.00 7.13 N ATOM 0 H GLN A 41 -8.129 3.279 -2.020 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.820 1.651 0.385 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.149 2.329 -2.123 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.413 1.549 -0.738 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.008 -0.409 -1.048 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.623 0.362 -2.496 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.926 -1.037 -4.104 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.213 -1.336 -4.414 1.00 7.13 H new ATOM 656 N ARG A 42 -6.302 3.303 1.604 1.00 5.73 N ATOM 657 CA ARG A 42 -5.524 4.164 2.467 1.00 6.97 C ATOM 658 C ARG A 42 -4.438 3.317 2.925 1.00 7.15 C ATOM 659 O ARG A 42 -4.697 2.196 3.430 1.00 7.33 O ATOM 660 CB ARG A 42 -6.226 4.743 3.706 1.00 13.23 C ATOM 661 CG ARG A 42 -7.316 5.815 3.308 1.00 21.27 C ATOM 662 CD ARG A 42 -7.784 6.722 4.419 1.00 26.14 C ATOM 663 NE ARG A 42 -8.857 7.595 3.871 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.669 8.295 4.713 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.913 7.943 6.002 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.295 9.379 4.289 1.00 36.39 N ATOM 0 H ARG A 42 -6.596 2.472 2.117 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.253 5.047 1.889 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.696 3.937 4.269 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.487 5.201 4.363 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.914 6.433 2.505 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.182 5.291 2.903 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.159 6.136 5.258 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.957 7.324 4.795 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.985 7.670 2.862 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.477 7.109 6.394 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.532 8.513 6.578 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.172 9.696 3.327 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.901 9.899 4.923 1.00 36.39 H new ATOM 680 N LEU A 43 -3.191 3.695 2.732 1.00 4.65 N ATOM 681 CA LEU A 43 -2.062 2.874 3.127 1.00 3.51 C ATOM 682 C LEU A 43 -1.285 3.545 4.172 1.00 5.56 C ATOM 683 O LEU A 43 -1.061 4.761 4.125 1.00 4.19 O ATOM 684 CB LEU A 43 -1.160 2.459 1.882 1.00 3.74 C ATOM 685 CG LEU A 43 -1.921 1.805 0.737 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.930 1.471 -0.368 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.716 0.517 0.999 1.00 6.41 C ATOM 0 H LEU A 43 -2.930 4.580 2.297 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.450 1.944 3.542 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.655 3.348 1.504 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.385 1.773 2.224 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.677 2.555 0.503 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.456 1.001 -1.199 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.449 2.386 -0.714 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.174 0.787 0.016 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.194 0.190 0.076 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.041 -0.262 1.353 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.478 0.707 1.755 1.00 6.41 H new ATOM 699 N ILE A 44 -0.779 2.750 5.186 1.00 4.58 N ATOM 700 CA ILE A 44 -0.170 3.327 6.412 1.00 5.55 C ATOM 701 C ILE A 44 1.056 2.427 6.785 1.00 5.46 C ATOM 702 O ILE A 44 1.005 1.239 6.752 1.00 6.04 O ATOM 703 CB ILE A 44 -1.135 3.437 7.578 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.089 4.625 7.282 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.416 3.643 8.916 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.111 4.862 8.384 1.00 13.90 C ATOM 0 H ILE A 44 -0.788 1.730 5.164 1.00 4.58 H new ATOM 0 HA ILE A 44 0.133 4.353 6.203 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.689 2.503 7.675 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.499 5.531 7.142 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.612 4.438 6.344 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.152 3.715 9.717 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.246 2.799 9.107 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.169 4.562 8.877 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.747 5.706 8.115 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.725 3.970 8.509 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.594 5.080 9.319 1.00 13.90 H new ATOM 718 N PHE A 45 2.189 3.062 7.015 1.00 6.75 N ATOM 719 CA PHE A 45 3.450 2.381 7.466 1.00 4.70 C ATOM 720 C PHE A 45 4.271 3.377 8.321 1.00 6.34 C ATOM 721 O PHE A 45 4.478 4.525 7.877 1.00 5.45 O ATOM 722 CB PHE A 45 4.354 1.917 6.264 1.00 5.51 C ATOM 723 CG PHE A 45 5.729 1.486 6.651 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.001 0.181 7.143 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.794 2.349 6.425 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.328 -0.246 7.348 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.110 1.927 6.678 1.00 6.64 C ATOM 728 CZ PHE A 45 8.391 0.653 7.115 1.00 6.84 C ATOM 0 H PHE A 45 2.291 4.071 6.902 1.00 6.75 H new ATOM 0 HA PHE A 45 3.157 1.496 8.031 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.859 1.092 5.752 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.432 2.735 5.548 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.183 -0.490 7.362 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.610 3.346 6.054 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.530 -1.253 7.681 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.923 2.621 6.525 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.413 0.344 7.278 1.00 6.84 H new ATOM 738 N ALA A 46 4.546 2.954 9.573 1.00 6.53 N ATOM 739 CA ALA A 46 5.053 3.760 10.631 1.00 7.15 C ATOM 740 C ALA A 46 4.256 4.988 11.006 1.00 9.00 C ATOM 741 O ALA A 46 4.765 6.043 11.351 1.00 11.15 O ATOM 742 CB ALA A 46 6.531 4.138 10.429 1.00 8.99 C ATOM 0 H ALA A 46 4.402 1.985 9.857 1.00 6.53 H new ATOM 0 HA ALA A 46 4.948 3.090 11.484 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.867 4.753 11.264 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.135 3.232 10.379 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.640 4.698 9.500 1.00 8.99 H new ATOM 748 N GLY A 47 2.933 4.703 11.032 1.00 9.35 N ATOM 749 CA GLY A 47 1.877 5.637 11.441 1.00 11.68 C ATOM 750 C GLY A 47 1.536 6.772 10.442 1.00 11.14 C ATOM 751 O GLY A 47 0.802 7.689 10.783 1.00 13.93 O ATOM 0 H GLY A 47 2.569 3.790 10.760 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.969 5.064 11.630 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.171 6.091 12.387 1.00 11.68 H new ATOM 755 N LYS A 48 2.191 6.735 9.274 1.00 10.47 N ATOM 756 CA LYS A 48 2.055 7.745 8.270 1.00 8.82 C ATOM 757 C LYS A 48 1.308 7.169 7.127 1.00 7.68 C ATOM 758 O LYS A 48 1.654 6.117 6.606 1.00 6.47 O ATOM 759 CB LYS A 48 3.501 8.079 7.829 1.00 9.74 C ATOM 760 CG LYS A 48 4.530 8.551 8.954 1.00 14.14 C ATOM 761 CD LYS A 48 4.024 9.768 9.699 1.00 16.32 C ATOM 762 CE LYS A 48 5.095 10.587 10.398 1.00 20.04 C ATOM 763 NZ LYS A 48 4.534 11.572 11.286 1.00 23.92 N ATOM 0 H LYS A 48 2.833 5.985 9.017 1.00 10.47 H new ATOM 0 HA LYS A 48 1.527 8.629 8.626 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.916 7.195 7.344 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.448 8.862 7.073 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.698 7.737 9.659 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.492 8.779 8.495 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.497 10.412 8.995 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.295 9.443 10.441 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.748 9.922 10.963 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.715 11.084 9.652 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.301 12.107 11.741 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.931 12.224 10.745 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.964 11.098 12.015 1.00 23.92 H new ATOM 777 N GLN A 49 0.214 7.885 6.763 1.00 8.89 N ATOM 778 CA GLN A 49 -0.439 7.614 5.465 1.00 7.18 C ATOM 779 C GLN A 49 0.523 7.773 4.247 1.00 8.23 C ATOM 780 O GLN A 49 1.312 8.735 4.065 1.00 9.70 O ATOM 781 CB GLN A 49 -1.729 8.431 5.260 1.00 11.67 C ATOM 782 CG GLN A 49 -2.713 7.888 4.239 1.00 15.82 C ATOM 783 CD GLN A 49 -4.109 8.480 4.395 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.699 8.376 5.499 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.650 9.022 3.261 1.00 20.67 N ATOM 0 H GLN A 49 -0.216 8.621 7.323 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.724 6.563 5.511 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.240 8.510 6.219 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.450 9.442 4.963 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.343 8.100 3.236 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.770 6.804 4.336 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.099 9.067 2.404 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.605 9.381 3.273 1.00 20.67 H new ATOM 794 N LEU A 50 0.532 6.738 3.344 1.00 6.51 N ATOM 795 CA LEU A 50 1.425 6.603 2.204 1.00 7.41 C ATOM 796 C LEU A 50 0.726 7.248 1.044 1.00 8.27 C ATOM 797 O LEU A 50 -0.371 6.879 0.690 1.00 8.34 O ATOM 798 CB LEU A 50 1.773 5.133 1.947 1.00 7.13 C ATOM 799 CG LEU A 50 2.394 4.184 3.066 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.763 2.805 2.525 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.530 4.947 3.698 1.00 9.11 C ATOM 0 H LEU A 50 -0.120 5.957 3.419 1.00 6.51 H new ATOM 0 HA LEU A 50 2.382 7.093 2.380 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.856 4.652 1.606 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.470 5.121 1.109 1.00 7.13 H new ATOM 0 HG LEU A 50 1.662 3.944 3.837 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.181 2.199 3.329 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.871 2.318 2.130 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.500 2.912 1.729 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.990 4.337 4.475 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.273 5.189 2.938 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.149 5.868 4.139 1.00 9.11 H new ATOM 813 N GLU A 51 1.302 8.265 0.433 1.00 9.43 N ATOM 814 CA GLU A 51 0.601 9.058 -0.539 1.00 11.90 C ATOM 815 C GLU A 51 1.232 8.669 -1.976 1.00 11.49 C ATOM 816 O GLU A 51 2.461 8.461 -2.100 1.00 9.88 O ATOM 817 CB GLU A 51 0.658 10.552 -0.354 1.00 16.56 C ATOM 818 CG GLU A 51 -0.152 11.466 -1.362 1.00 26.06 C ATOM 819 CD GLU A 51 0.051 12.937 -1.115 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.191 13.442 0.014 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.371 13.623 -2.143 1.00 33.44 O ATOM 0 H GLU A 51 2.265 8.558 0.600 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.459 8.827 -0.435 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.306 10.776 0.653 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.705 10.853 -0.400 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.151 11.229 -2.382 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -1.214 11.233 -1.282 1.00 26.06 H new ATOM 828 N ASP A 52 0.367 8.558 -3.035 1.00 12.71 N ATOM 829 CA ASP A 52 0.613 7.995 -4.324 1.00 16.56 C ATOM 830 C ASP A 52 1.868 8.444 -5.030 1.00 15.83 C ATOM 831 O ASP A 52 2.488 7.556 -5.663 1.00 17.21 O ATOM 832 CB ASP A 52 -0.649 8.424 -5.278 1.00 21.05 C ATOM 833 CG ASP A 52 -1.746 7.495 -4.765 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.152 7.641 -3.571 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.423 6.736 -5.530 1.00 28.37 O ATOM 0 H ASP A 52 -0.590 8.902 -2.959 1.00 12.71 H new ATOM 0 HA ASP A 52 0.737 6.925 -4.159 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.913 9.475 -5.161 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.437 8.264 -6.335 1.00 21.05 H new ATOM 840 N GLY A 53 2.166 9.765 -5.081 1.00 15.00 N ATOM 841 CA GLY A 53 3.282 10.313 -5.878 1.00 11.77 C ATOM 842 C GLY A 53 4.684 10.137 -5.306 1.00 11.10 C ATOM 843 O GLY A 53 5.646 10.656 -5.841 1.00 11.25 O ATOM 0 H GLY A 53 1.640 10.475 -4.572 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.256 9.849 -6.864 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.105 11.379 -6.023 1.00 11.77 H new ATOM 847 N ARG A 54 4.842 9.383 -4.181 1.00 8.53 N ATOM 848 CA ARG A 54 6.126 9.266 -3.537 1.00 9.05 C ATOM 849 C ARG A 54 6.496 7.803 -3.446 1.00 8.96 C ATOM 850 O ARG A 54 5.630 6.935 -3.396 1.00 11.60 O ATOM 851 CB ARG A 54 6.062 9.894 -2.141 1.00 7.97 C ATOM 852 CG ARG A 54 7.203 9.895 -1.074 1.00 9.62 C ATOM 853 CD ARG A 54 6.929 10.853 0.058 1.00 12.20 C ATOM 854 NE ARG A 54 7.963 10.747 1.087 1.00 18.23 N ATOM 855 CZ ARG A 54 9.106 11.426 1.010 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.578 11.961 -0.098 1.00 25.50 N ATOM 857 NH2 ARG A 54 9.797 11.434 2.105 1.00 23.38 N ATOM 0 H ARG A 54 4.090 8.864 -3.728 1.00 8.53 H new ATOM 0 HA ARG A 54 6.885 9.792 -4.116 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.812 10.942 -2.303 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.204 9.433 -1.652 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.324 8.888 -0.674 1.00 9.62 H new ATOM 0 HG3 ARG A 54 8.145 10.162 -1.553 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.892 11.873 -0.324 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.953 10.640 0.493 1.00 12.20 H new ATOM 0 HE ARG A 54 7.804 10.135 1.887 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.059 11.867 -0.971 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.463 12.469 -0.083 1.00 25.50 H new ATOM 0 HH21 ARG A 54 9.450 10.945 2.930 1.00 23.38 H new ATOM 0 HH22 ARG A 54 10.688 11.929 2.142 1.00 23.38 H new ATOM 871 N THR A 55 7.810 7.505 -3.411 1.00 9.05 N ATOM 872 CA THR A 55 8.260 6.142 -3.673 1.00 9.03 C ATOM 873 C THR A 55 8.164 5.234 -2.447 1.00 8.15 C ATOM 874 O THR A 55 8.008 5.733 -1.366 1.00 5.91 O ATOM 875 CB THR A 55 9.674 5.897 -4.261 1.00 11.15 C ATOM 876 OG1 THR A 55 10.686 6.184 -3.305 1.00 11.95 O ATOM 877 CG2 THR A 55 10.009 6.574 -5.584 1.00 11.71 C ATOM 0 H THR A 55 8.552 8.175 -3.209 1.00 9.05 H new ATOM 0 HA THR A 55 7.550 5.903 -4.464 1.00 9.03 H new ATOM 0 HB THR A 55 9.647 4.835 -4.503 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.391 5.506 -3.361 1.00 11.95 H new ATOM 0 HG21 THR A 55 11.027 6.317 -5.877 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.314 6.235 -6.352 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.926 7.655 -5.471 1.00 11.71 H new ATOM 885 N LEU A 56 8.272 3.864 -2.536 1.00 6.91 N ATOM 886 CA LEU A 56 8.434 2.966 -1.399 1.00 8.29 C ATOM 887 C LEU A 56 9.744 3.297 -0.612 1.00 8.05 C ATOM 888 O LEU A 56 9.778 3.297 0.600 1.00 10.17 O ATOM 889 CB LEU A 56 8.393 1.513 -1.994 1.00 6.60 C ATOM 890 CG LEU A 56 6.965 0.861 -2.280 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.047 0.184 -3.615 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.534 -0.095 -1.124 1.00 8.64 C ATOM 0 H LEU A 56 8.245 3.372 -3.429 1.00 6.91 H new ATOM 0 HA LEU A 56 7.642 3.076 -0.658 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.951 1.520 -2.931 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.929 0.856 -1.309 1.00 6.60 H new ATOM 0 HG LEU A 56 6.184 1.621 -2.314 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.087 -0.276 -3.849 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.293 0.919 -4.381 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.820 -0.584 -3.587 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.557 -0.522 -1.350 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.266 -0.896 -1.023 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.478 0.465 -0.191 1.00 8.64 H new ATOM 904 N SER A 57 10.839 3.577 -1.302 1.00 8.92 N ATOM 905 CA SER A 57 12.141 3.833 -0.660 1.00 9.00 C ATOM 906 C SER A 57 12.151 5.196 0.086 1.00 9.44 C ATOM 907 O SER A 57 12.841 5.384 1.116 1.00 10.91 O ATOM 908 CB SER A 57 13.342 3.772 -1.614 1.00 10.32 C ATOM 909 OG SER A 57 13.378 4.825 -2.571 1.00 13.59 O ATOM 0 H SER A 57 10.862 3.636 -2.320 1.00 8.92 H new ATOM 0 HA SER A 57 12.257 3.015 0.051 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.260 3.797 -1.027 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.326 2.818 -2.140 1.00 10.32 H new ATOM 0 HG SER A 57 14.168 4.722 -3.141 1.00 13.59 H new ATOM 915 N ASP A 58 11.383 6.184 -0.369 1.00 9.11 N ATOM 916 CA ASP A 58 11.200 7.455 0.322 1.00 7.91 C ATOM 917 C ASP A 58 10.396 7.407 1.666 1.00 9.12 C ATOM 918 O ASP A 58 10.598 8.234 2.505 1.00 8.61 O ATOM 919 CB ASP A 58 10.534 8.492 -0.656 1.00 8.41 C ATOM 920 CG ASP A 58 11.291 8.783 -1.917 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.527 8.743 -1.906 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.646 8.967 -3.010 1.00 11.70 O ATOM 0 H ASP A 58 10.862 6.121 -1.244 1.00 9.11 H new ATOM 0 HA ASP A 58 12.205 7.756 0.617 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.544 8.124 -0.926 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.389 9.429 -0.118 1.00 8.41 H new ATOM 927 N TYR A 59 9.466 6.397 1.802 1.00 7.97 N ATOM 928 CA TYR A 59 8.729 6.144 3.042 1.00 8.45 C ATOM 929 C TYR A 59 9.530 5.213 3.917 1.00 10.98 C ATOM 930 O TYR A 59 9.068 4.734 4.910 1.00 12.95 O ATOM 931 CB TYR A 59 7.412 5.345 2.716 1.00 7.94 C ATOM 932 CG TYR A 59 6.384 6.396 2.336 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.038 7.388 3.222 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.806 6.442 1.063 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.123 8.390 2.918 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.835 7.386 0.727 1.00 6.52 C ATOM 937 CZ TYR A 59 4.483 8.389 1.672 1.00 6.76 C ATOM 938 OH TYR A 59 3.793 9.525 1.238 1.00 7.63 O ATOM 0 H TYR A 59 9.227 5.755 1.046 1.00 7.97 H new ATOM 0 HA TYR A 59 8.529 7.103 3.519 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.572 4.640 1.900 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.081 4.766 3.578 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.498 7.389 4.199 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.121 5.726 0.318 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.907 9.165 3.639 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.356 7.355 -0.240 1.00 6.52 H new ATOM 0 HH TYR A 59 4.047 10.293 1.791 1.00 7.63 H new ATOM 948 N ASN A 60 10.752 4.727 3.428 1.00 12.38 N ATOM 949 CA ASN A 60 11.660 3.744 4.053 1.00 13.94 C ATOM 950 C ASN A 60 11.059 2.326 4.202 1.00 14.16 C ATOM 951 O ASN A 60 11.193 1.702 5.261 1.00 14.26 O ATOM 952 CB ASN A 60 12.337 4.310 5.385 1.00 19.23 C ATOM 953 CG ASN A 60 13.118 5.591 5.033 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.807 5.718 3.998 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.087 6.525 6.002 1.00 24.09 N ATOM 0 H ASN A 60 11.118 5.052 2.533 1.00 12.38 H new ATOM 0 HA ASN A 60 12.473 3.599 3.342 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.575 4.525 6.135 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.006 3.565 5.815 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.640 7.377 5.907 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.510 6.381 6.831 1.00 24.09 H new ATOM 962 N ILE A 61 10.357 1.922 3.182 1.00 11.08 N ATOM 963 CA ILE A 61 9.788 0.672 3.016 1.00 11.78 C ATOM 964 C ILE A 61 10.840 -0.285 2.523 1.00 13.74 C ATOM 965 O ILE A 61 11.463 0.042 1.523 1.00 14.60 O ATOM 966 CB ILE A 61 8.576 0.660 2.100 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.568 1.557 2.806 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.019 -0.811 1.906 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.322 1.869 1.972 1.00 11.42 C ATOM 0 H ILE A 61 10.168 2.537 2.390 1.00 11.08 H new ATOM 0 HA ILE A 61 9.412 0.360 3.990 1.00 11.78 H new ATOM 0 HB ILE A 61 8.806 1.013 1.095 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.260 1.079 3.736 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.056 2.493 3.076 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.152 -0.788 1.246 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.794 -1.438 1.465 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.728 -1.220 2.873 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.653 2.512 2.544 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.617 2.377 1.054 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.808 0.940 1.724 1.00 11.42 H new ATOM 981 N GLN A 62 11.076 -1.380 3.173 1.00 13.97 N ATOM 982 CA GLN A 62 12.219 -2.288 2.976 1.00 15.52 C ATOM 983 C GLN A 62 11.655 -3.658 2.771 1.00 13.94 C ATOM 984 O GLN A 62 10.449 -3.869 2.857 1.00 12.15 O ATOM 985 CB GLN A 62 13.131 -2.305 4.212 1.00 19.53 C ATOM 986 CG GLN A 62 13.904 -1.005 4.361 1.00 26.38 C ATOM 987 CD GLN A 62 14.575 -0.946 5.687 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.301 -1.769 6.598 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.315 0.179 5.941 1.00 32.71 N ATOM 0 H GLN A 62 10.449 -1.707 3.909 1.00 13.97 H new ATOM 0 HA GLN A 62 12.814 -1.958 2.124 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.530 -2.475 5.105 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.831 -3.137 4.136 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.647 -0.924 3.567 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.227 -0.158 4.252 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.525 0.832 5.186 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.656 0.363 6.885 1.00 32.71 H new ATOM 998 N LYS A 63 12.503 -4.633 2.451 1.00 11.73 N ATOM 999 CA LYS A 63 12.082 -6.010 2.240 1.00 11.97 C ATOM 1000 C LYS A 63 11.544 -6.675 3.523 1.00 10.41 C ATOM 1001 O LYS A 63 12.041 -6.431 4.622 1.00 9.59 O ATOM 1002 CB LYS A 63 13.289 -6.810 1.663 1.00 13.73 C ATOM 1003 CG LYS A 63 14.479 -6.950 2.574 1.00 16.98 C ATOM 1004 CD LYS A 63 15.695 -7.530 1.821 1.00 20.19 C ATOM 1005 CE LYS A 63 17.084 -7.459 2.536 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.048 -8.106 3.882 1.00 25.97 N ATOM 0 H LYS A 63 13.505 -4.486 2.331 1.00 11.73 H new ATOM 0 HA LYS A 63 11.251 -6.012 1.535 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.943 -7.808 1.393 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.615 -6.325 0.743 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.737 -5.977 2.991 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.224 -7.599 3.412 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.485 -8.576 1.596 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.780 -7.010 0.867 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.837 -7.948 1.918 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.386 -6.417 2.641 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.987 -8.039 4.325 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.348 -7.623 4.481 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.785 -9.107 3.779 1.00 25.97 H new ATOM 1020 N GLU A 64 10.447 -7.460 3.387 1.00 10.04 N ATOM 1021 CA GLU A 64 9.854 -8.246 4.479 1.00 10.94 C ATOM 1022 C GLU A 64 9.193 -7.290 5.492 1.00 9.74 C ATOM 1023 O GLU A 64 8.951 -7.629 6.624 1.00 9.42 O ATOM 1024 CB GLU A 64 10.755 -9.230 5.124 1.00 18.31 C ATOM 1025 CG GLU A 64 11.385 -10.154 4.036 1.00 24.16 C ATOM 1026 CD GLU A 64 12.143 -11.306 4.653 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.352 -11.155 4.993 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.601 -12.441 4.698 1.00 31.72 O ATOM 0 H GLU A 64 9.949 -7.561 2.503 1.00 10.04 H new ATOM 0 HA GLU A 64 9.096 -8.884 4.024 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.540 -8.713 5.675 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.199 -9.828 5.846 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.599 -10.541 3.388 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.058 -9.570 3.408 1.00 24.16 H new ATOM 1035 N SER A 65 8.789 -6.069 5.001 1.00 6.85 N ATOM 1036 CA SER A 65 8.046 -5.127 5.770 1.00 6.90 C ATOM 1037 C SER A 65 6.555 -5.463 5.769 1.00 4.72 C ATOM 1038 O SER A 65 6.067 -5.689 4.647 1.00 3.91 O ATOM 1039 CB SER A 65 8.216 -3.614 5.339 1.00 7.28 C ATOM 1040 OG SER A 65 9.549 -3.174 5.465 1.00 10.56 O ATOM 0 H SER A 65 8.993 -5.754 4.053 1.00 6.85 H new ATOM 0 HA SER A 65 8.472 -5.220 6.769 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.891 -3.493 4.306 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.568 -2.988 5.952 1.00 7.28 H new ATOM 0 HG SER A 65 10.066 -3.470 4.687 1.00 10.56 H new ATOM 1046 N THR A 66 5.917 -5.337 6.908 1.00 4.48 N ATOM 1047 CA THR A 66 4.469 -5.323 6.986 1.00 3.80 C ATOM 1048 C THR A 66 3.955 -3.949 6.743 1.00 4.60 C ATOM 1049 O THR A 66 4.442 -3.010 7.380 1.00 5.33 O ATOM 1050 CB THR A 66 3.879 -5.911 8.255 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.264 -7.261 8.432 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.375 -6.023 8.175 1.00 3.40 C ATOM 0 H THR A 66 6.384 -5.241 7.810 1.00 4.48 H new ATOM 0 HA THR A 66 4.132 -5.995 6.197 1.00 3.80 H new ATOM 0 HB THR A 66 4.226 -5.247 9.047 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.869 -7.608 9.259 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.992 -6.448 9.103 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.944 -5.033 8.024 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.102 -6.669 7.340 1.00 3.40 H new ATOM 1060 N LEU A 67 3.078 -3.691 5.722 1.00 4.17 N ATOM 1061 CA LEU A 67 2.442 -2.452 5.472 1.00 3.85 C ATOM 1062 C LEU A 67 0.929 -2.495 5.604 1.00 3.80 C ATOM 1063 O LEU A 67 0.305 -3.528 5.470 1.00 5.54 O ATOM 1064 CB LEU A 67 2.654 -1.915 4.001 1.00 7.18 C ATOM 1065 CG LEU A 67 4.116 -2.130 3.379 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.245 -1.503 1.946 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.196 -1.529 4.291 1.00 11.66 C ATOM 0 H LEU A 67 2.815 -4.407 5.045 1.00 4.17 H new ATOM 0 HA LEU A 67 2.907 -1.816 6.225 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.928 -2.402 3.349 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.429 -0.849 3.989 1.00 7.18 H new ATOM 0 HG LEU A 67 4.263 -3.207 3.299 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.252 -1.673 1.564 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.520 -1.969 1.278 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.053 -0.431 1.999 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.178 -1.689 3.846 1.00 11.66 H new ATOM 0 HD22 LEU A 67 5.020 -0.460 4.408 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.157 -2.012 5.268 1.00 11.66 H new ATOM 1079 N HIS A 68 0.237 -1.383 6.026 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.148 -1.484 6.408 1.00 4.17 C ATOM 1081 C HIS A 68 -2.049 -1.102 5.254 1.00 5.32 C ATOM 1082 O HIS A 68 -1.770 -0.170 4.484 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.415 -0.645 7.686 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.567 -1.019 8.898 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.648 -0.416 9.105 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.727 -1.898 9.891 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.196 -0.953 10.229 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.382 -1.829 10.765 1.00 16.30 N ATOM 0 H HIS A 68 0.635 -0.447 6.097 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.381 -2.520 6.653 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.244 0.406 7.453 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.467 -0.745 7.954 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.067 0.307 8.520 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.573 -2.559 10.008 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.167 -0.693 10.624 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.180 -1.816 5.052 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.196 -1.466 4.046 1.00 3.97 C ATOM 1098 C LEU A 69 -5.491 -1.226 4.798 1.00 5.07 C ATOM 1099 O LEU A 69 -6.082 -2.138 5.364 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.318 -2.653 3.038 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.624 -2.674 2.166 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.834 -1.358 1.341 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.543 -3.908 1.231 1.00 9.96 C ATOM 0 H LEU A 69 -3.410 -2.654 5.587 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.939 -0.572 3.478 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.457 -2.628 2.370 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.261 -3.587 3.597 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.488 -2.740 2.828 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.753 -1.436 0.760 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.905 -0.509 2.021 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.990 -1.212 0.667 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.437 -3.953 0.609 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.662 -3.825 0.594 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.472 -4.815 1.831 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.047 0.012 4.729 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.264 0.445 5.382 1.00 6.26 C ATOM 1117 C VAL A 70 -8.233 0.928 4.296 1.00 9.22 C ATOM 1118 O VAL A 70 -7.778 1.587 3.383 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.894 1.619 6.350 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.022 2.404 6.982 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.977 1.078 7.432 1.00 8.54 C ATOM 0 H VAL A 70 -5.618 0.758 4.182 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.732 -0.359 5.950 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.418 2.358 5.705 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.609 3.181 7.625 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.628 2.863 6.201 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.643 1.734 7.576 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.708 1.882 8.117 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.490 0.289 7.982 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.074 0.674 6.975 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.506 0.523 4.341 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.484 1.076 3.420 1.00 16.06 C ATOM 1133 C LEU A 71 -10.824 2.557 3.710 1.00 18.09 C ATOM 1134 O LEU A 71 -10.661 3.014 4.839 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.793 0.240 3.302 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.547 -1.287 3.060 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.870 -1.980 2.855 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.702 -1.468 1.819 1.00 19.57 C ATOM 0 H LEU A 71 -9.871 -0.171 4.993 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.983 1.024 2.454 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.376 0.365 4.214 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.394 0.636 2.483 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.035 -1.713 3.923 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.701 -3.044 2.686 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.491 -1.847 3.741 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.375 -1.551 1.990 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.529 -2.531 1.648 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.221 -1.042 0.960 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.746 -0.962 1.953 1.00 19.57 H new