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 144:sc= 0.916 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.794 USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= -0.0346 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -145:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.91 USER MOD Single : A 1 MET CE :methyl -122:sc=-0.00684 (180deg=-0.0529) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.5 (180deg=2.47) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.0012) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 1.27 (180deg=0.36) 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) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 2.12 (180deg=1.56) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 0.924 (180deg=0.562) USER MOD Single : A 31 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -0.104 K(o=-0.1,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.58) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.55 USER MOD Single : A 60 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.0011) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.157 F(o=-0.69!,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 80:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.126 -6.932 -4.876 1.00 9.67 N ATOM 2 CA MET A 1 11.166 -6.940 -3.382 1.00 10.38 C ATOM 3 C MET A 1 9.780 -7.363 -2.855 1.00 9.62 C ATOM 4 O MET A 1 8.691 -7.012 -3.382 1.00 9.62 O ATOM 5 CB MET A 1 11.456 -5.495 -2.987 1.00 13.77 C ATOM 6 CG MET A 1 11.488 -5.214 -1.487 1.00 16.29 C ATOM 7 SD MET A 1 11.970 -3.559 -1.116 1.00 17.17 S ATOM 8 CE MET A 1 10.423 -2.726 -1.336 1.00 16.11 C ATOM 0 H1 MET A 1 12.060 -6.665 -5.247 1.00 9.67 H new ATOM 0 H2 MET A 1 10.875 -7.880 -5.222 1.00 9.67 H new ATOM 0 H3 MET A 1 10.415 -6.246 -5.201 1.00 9.67 H new ATOM 0 HA MET A 1 11.910 -7.626 -2.978 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.417 -5.207 -3.413 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.701 -4.854 -3.442 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.501 -5.404 -1.065 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.179 -5.906 -1.006 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.533 -1.949 -2.093 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.667 -3.442 -1.658 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.116 -2.274 -0.393 1.00 16.11 H new ATOM 20 N GLN A 2 9.760 -8.194 -1.756 1.00 9.27 N ATOM 21 CA GLN A 2 8.556 -8.730 -1.103 1.00 9.07 C ATOM 22 C GLN A 2 8.114 -7.730 -0.082 1.00 8.72 C ATOM 23 O GLN A 2 8.862 -7.054 0.599 1.00 8.22 O ATOM 24 CB GLN A 2 8.725 -10.136 -0.495 1.00 14.46 C ATOM 25 CG GLN A 2 7.469 -10.798 0.173 1.00 17.01 C ATOM 26 CD GLN A 2 7.668 -12.292 0.292 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.153 -12.901 1.254 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.359 -12.990 -0.815 1.00 19.49 N ATOM 0 H GLN A 2 10.619 -8.506 -1.303 1.00 9.27 H new ATOM 0 HA GLN A 2 7.792 -8.876 -1.867 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.076 -10.802 -1.283 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.515 -10.085 0.254 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.303 -10.366 1.160 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.579 -10.588 -0.421 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.958 -12.514 -1.623 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.526 -13.996 -0.847 1.00 19.49 H new ATOM 37 N ILE A 3 6.784 -7.524 0.032 1.00 5.87 N ATOM 38 CA ILE A 3 6.230 -6.713 1.118 1.00 5.07 C ATOM 39 C ILE A 3 4.950 -7.394 1.484 1.00 4.01 C ATOM 40 O ILE A 3 4.384 -8.195 0.719 1.00 4.61 O ATOM 41 CB ILE A 3 5.979 -5.218 0.986 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.001 -4.930 -0.202 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.317 -4.427 0.869 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.644 -3.489 -0.472 1.00 10.83 C ATOM 0 H ILE A 3 6.089 -7.906 -0.609 1.00 5.87 H new ATOM 0 HA ILE A 3 7.036 -6.679 1.851 1.00 5.07 H new ATOM 0 HB ILE A 3 5.494 -4.864 1.895 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.441 -5.344 -1.109 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.077 -5.478 -0.018 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.103 -3.362 0.776 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.921 -4.600 1.760 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.864 -4.765 -0.011 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.961 -3.436 -1.320 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.163 -3.062 0.408 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.549 -2.926 -0.700 1.00 10.83 H new ATOM 56 N PHE A 4 4.416 -7.163 2.718 1.00 4.55 N ATOM 57 CA PHE A 4 3.206 -7.775 3.225 1.00 4.68 C ATOM 58 C PHE A 4 2.110 -6.796 3.635 1.00 5.30 C ATOM 59 O PHE A 4 2.233 -5.923 4.506 1.00 5.58 O ATOM 60 CB PHE A 4 3.605 -8.510 4.520 1.00 4.83 C ATOM 61 CG PHE A 4 4.725 -9.488 4.269 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.441 -10.641 3.545 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.998 -9.312 4.853 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.389 -11.625 3.307 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.843 -10.475 4.855 1.00 10.61 C ATOM 66 CZ PHE A 4 6.606 -11.551 3.995 1.00 8.90 C ATOM 0 H PHE A 4 4.847 -6.524 3.386 1.00 4.55 H new ATOM 0 HA PHE A 4 2.808 -8.396 2.423 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.914 -7.785 5.273 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.741 -9.038 4.922 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.444 -10.775 3.153 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.316 -8.368 5.270 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.194 -12.426 2.610 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.680 -10.518 5.536 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.355 -12.318 3.862 1.00 8.90 H new ATOM 76 N VAL A 5 0.911 -6.906 3.050 1.00 4.44 N ATOM 77 CA VAL A 5 -0.170 -5.976 3.276 1.00 3.87 C ATOM 78 C VAL A 5 -1.165 -6.542 4.191 1.00 4.93 C ATOM 79 O VAL A 5 -1.861 -7.469 3.837 1.00 6.84 O ATOM 80 CB VAL A 5 -0.842 -5.514 1.991 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.819 -4.334 2.190 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.309 -4.961 1.053 1.00 9.13 C ATOM 0 H VAL A 5 0.675 -7.657 2.401 1.00 4.44 H new ATOM 0 HA VAL A 5 0.281 -5.095 3.732 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.402 -6.360 1.593 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.259 -4.060 1.231 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.609 -4.628 2.881 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.279 -3.480 2.599 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.122 -4.615 0.113 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.814 -4.131 1.547 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.028 -5.755 0.852 1.00 9.13 H new ATOM 92 N LYS A 6 -1.206 -5.983 5.416 1.00 6.04 N ATOM 93 CA LYS A 6 -2.088 -6.327 6.479 1.00 6.12 C ATOM 94 C LYS A 6 -3.378 -5.485 6.441 1.00 6.57 C ATOM 95 O LYS A 6 -3.335 -4.271 6.458 1.00 5.76 O ATOM 96 CB LYS A 6 -1.495 -6.106 7.882 1.00 7.45 C ATOM 97 CG LYS A 6 -2.288 -6.619 9.101 1.00 11.12 C ATOM 98 CD LYS A 6 -2.481 -8.173 9.098 1.00 14.54 C ATOM 99 CE LYS A 6 -1.223 -9.030 9.226 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.363 -10.504 9.456 1.00 20.55 N ATOM 0 H LYS A 6 -0.568 -5.231 5.677 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.279 -7.388 6.319 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.511 -6.575 7.904 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.341 -5.035 8.013 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.770 -6.325 10.014 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.266 -6.137 9.120 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.152 -8.432 9.917 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.986 -8.449 8.173 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.639 -8.894 8.316 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.632 -8.624 10.047 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.594 -10.834 10.073 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.278 -10.699 9.909 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.314 -11.004 8.545 1.00 20.55 H new ATOM 114 N THR A 7 -4.541 -6.189 6.412 1.00 7.41 N ATOM 115 CA THR A 7 -5.861 -5.490 6.369 1.00 7.48 C ATOM 116 C THR A 7 -6.547 -5.382 7.731 1.00 8.75 C ATOM 117 O THR A 7 -6.119 -5.945 8.705 1.00 8.58 O ATOM 118 CB THR A 7 -6.807 -6.168 5.387 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.005 -7.499 5.778 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.157 -6.232 3.979 1.00 9.17 C ATOM 0 H THR A 7 -4.597 -7.207 6.417 1.00 7.41 H new ATOM 0 HA THR A 7 -5.636 -4.476 6.038 1.00 7.48 H new ATOM 0 HB THR A 7 -7.739 -5.602 5.370 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.731 -7.891 5.249 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.841 -6.719 3.284 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.944 -5.221 3.630 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.229 -6.801 4.032 1.00 9.17 H new ATOM 128 N LEU A 8 -7.647 -4.641 7.850 1.00 9.84 N ATOM 129 CA LEU A 8 -8.543 -4.657 8.965 1.00 14.15 C ATOM 130 C LEU A 8 -9.063 -6.081 9.378 1.00 17.37 C ATOM 131 O LEU A 8 -9.278 -6.378 10.537 1.00 17.01 O ATOM 132 CB LEU A 8 -9.762 -3.759 8.707 1.00 16.63 C ATOM 133 CG LEU A 8 -10.698 -3.528 9.905 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.906 -2.867 11.063 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.841 -2.633 9.398 1.00 18.59 C ATOM 0 H LEU A 8 -7.937 -3.985 7.125 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.941 -4.282 9.792 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.406 -2.790 8.358 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.344 -4.196 7.896 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.106 -4.459 10.298 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.570 -2.704 11.912 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.087 -3.521 11.364 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.503 -1.911 10.729 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.538 -2.437 10.213 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.431 -1.690 9.036 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.365 -3.137 8.586 1.00 18.59 H new ATOM 147 N THR A 9 -9.109 -7.020 8.424 1.00 18.33 N ATOM 148 CA THR A 9 -9.710 -8.332 8.715 1.00 19.24 C ATOM 149 C THR A 9 -8.681 -9.259 9.407 1.00 19.48 C ATOM 150 O THR A 9 -9.009 -10.298 9.949 1.00 23.14 O ATOM 151 CB THR A 9 -10.407 -9.086 7.548 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.394 -9.424 6.583 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.392 -8.129 6.873 1.00 19.70 C ATOM 0 H THR A 9 -8.752 -6.906 7.476 1.00 18.33 H new ATOM 0 HA THR A 9 -10.536 -8.077 9.379 1.00 19.24 H new ATOM 0 HB THR A 9 -10.923 -9.974 7.914 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.804 -9.904 5.833 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.891 -8.641 6.050 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.135 -7.799 7.599 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.853 -7.264 6.488 1.00 19.70 H new ATOM 161 N GLY A 10 -7.346 -8.803 9.354 1.00 19.43 N ATOM 162 CA GLY A 10 -6.187 -9.487 9.872 1.00 18.74 C ATOM 163 C GLY A 10 -5.560 -10.307 8.759 1.00 17.62 C ATOM 164 O GLY A 10 -4.445 -10.802 8.905 1.00 19.74 O ATOM 0 H GLY A 10 -7.105 -7.911 8.922 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.467 -8.767 10.261 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.471 -10.134 10.702 1.00 18.74 H new ATOM 168 N LYS A 11 -6.174 -10.318 7.617 1.00 13.56 N ATOM 169 CA LYS A 11 -5.708 -10.963 6.405 1.00 11.91 C ATOM 170 C LYS A 11 -4.289 -10.509 5.870 1.00 10.18 C ATOM 171 O LYS A 11 -3.960 -9.337 5.794 1.00 9.10 O ATOM 172 CB LYS A 11 -6.715 -10.853 5.206 1.00 13.43 C ATOM 173 CG LYS A 11 -6.438 -11.757 4.009 1.00 16.69 C ATOM 174 CD LYS A 11 -7.574 -11.531 2.962 1.00 17.92 C ATOM 175 CE LYS A 11 -7.520 -12.415 1.715 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.670 -12.213 0.823 1.00 21.93 N ATOM 0 H LYS A 11 -7.071 -9.851 7.487 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.622 -11.994 6.747 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.716 -11.074 5.578 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.724 -9.819 4.860 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.466 -11.525 3.573 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.408 -12.802 4.319 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.533 -11.690 3.455 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.548 -10.488 2.646 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.601 -12.207 1.168 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.481 -13.461 2.018 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.087 -13.134 0.581 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.382 -11.626 1.302 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.356 -11.736 -0.046 1.00 21.93 H new ATOM 190 N THR A 12 -3.495 -11.439 5.391 1.00 9.63 N ATOM 191 CA THR A 12 -2.180 -11.136 4.878 1.00 9.85 C ATOM 192 C THR A 12 -2.022 -11.342 3.377 1.00 11.66 C ATOM 193 O THR A 12 -1.974 -12.455 2.810 1.00 12.33 O ATOM 194 CB THR A 12 -1.157 -12.013 5.577 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.233 -11.921 6.969 1.00 10.91 O ATOM 196 CG2 THR A 12 0.296 -11.500 5.267 1.00 9.63 C ATOM 0 H THR A 12 -3.743 -12.427 5.346 1.00 9.63 H new ATOM 0 HA THR A 12 -2.027 -10.075 5.073 1.00 9.85 H new ATOM 0 HB THR A 12 -1.361 -13.024 5.224 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.557 -12.504 7.373 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.022 -12.136 5.773 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.472 -11.533 4.192 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.403 -10.475 5.621 1.00 9.63 H new ATOM 204 N ILE A 13 -1.917 -10.225 2.648 1.00 10.42 N ATOM 205 CA ILE A 13 -1.623 -10.114 1.244 1.00 11.84 C ATOM 206 C ILE A 13 -0.113 -10.064 0.950 1.00 10.55 C ATOM 207 O ILE A 13 0.623 -9.331 1.577 1.00 11.92 O ATOM 208 CB ILE A 13 -2.437 -9.010 0.464 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.927 -8.879 0.946 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.235 -9.150 -1.015 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.682 -7.595 0.478 1.00 16.46 C ATOM 0 H ILE A 13 -2.049 -9.308 3.076 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.996 -11.050 0.829 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.027 -8.033 0.719 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.480 -9.751 0.596 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.941 -8.909 2.036 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.805 -8.380 -1.535 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.176 -9.039 -1.250 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.577 -10.133 -1.337 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.700 -7.609 0.868 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.163 -6.712 0.850 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.711 -7.567 -0.611 1.00 16.46 H new ATOM 223 N THR A 14 0.377 -10.874 0.084 1.00 9.39 N ATOM 224 CA THR A 14 1.827 -10.980 -0.240 1.00 9.63 C ATOM 225 C THR A 14 2.057 -10.226 -1.577 1.00 11.20 C ATOM 226 O THR A 14 1.459 -10.641 -2.583 1.00 11.63 O ATOM 227 CB THR A 14 2.342 -12.424 -0.499 1.00 10.38 C ATOM 228 OG1 THR A 14 1.943 -13.267 0.572 1.00 16.30 O ATOM 229 CG2 THR A 14 3.894 -12.359 -0.488 1.00 11.66 C ATOM 0 H THR A 14 -0.202 -11.517 -0.456 1.00 9.39 H new ATOM 0 HA THR A 14 2.355 -10.582 0.627 1.00 9.63 H new ATOM 0 HB THR A 14 1.949 -12.807 -1.441 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.266 -14.178 0.409 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.301 -13.354 -0.667 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.235 -11.682 -1.271 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.236 -11.996 0.481 1.00 11.66 H new ATOM 237 N LEU A 15 2.889 -9.125 -1.608 1.00 8.29 N ATOM 238 CA LEU A 15 3.087 -8.386 -2.861 1.00 9.03 C ATOM 239 C LEU A 15 4.566 -8.502 -3.268 1.00 8.59 C ATOM 240 O LEU A 15 5.499 -8.663 -2.446 1.00 7.79 O ATOM 241 CB LEU A 15 2.820 -6.901 -2.751 1.00 11.08 C ATOM 242 CG LEU A 15 1.398 -6.521 -2.376 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.370 -4.954 -2.309 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.264 -7.119 -3.180 1.00 15.27 C ATOM 0 H LEU A 15 3.402 -8.761 -0.805 1.00 8.29 H new ATOM 0 HA LEU A 15 2.386 -8.820 -3.574 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.498 -6.481 -2.008 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.063 -6.434 -3.705 1.00 11.08 H new ATOM 0 HG LEU A 15 1.177 -6.983 -1.414 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.368 -4.619 -2.042 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.080 -4.609 -1.557 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.643 -4.543 -3.281 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.688 -6.754 -2.794 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.367 -6.829 -4.226 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.295 -8.206 -3.101 1.00 15.27 H new ATOM 256 N GLU A 16 4.791 -8.285 -4.579 1.00 11.04 N ATOM 257 CA GLU A 16 6.095 -8.171 -5.187 1.00 11.50 C ATOM 258 C GLU A 16 6.202 -6.847 -5.886 1.00 10.13 C ATOM 259 O GLU A 16 5.435 -6.582 -6.799 1.00 9.83 O ATOM 260 CB GLU A 16 6.316 -9.333 -6.160 1.00 17.22 C ATOM 261 CG GLU A 16 7.642 -9.396 -6.859 1.00 23.33 C ATOM 262 CD GLU A 16 8.797 -9.558 -5.902 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.741 -10.462 -4.984 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.776 -8.854 -6.119 1.00 28.90 O ATOM 0 H GLU A 16 4.031 -8.183 -5.252 1.00 11.04 H new ATOM 0 HA GLU A 16 6.870 -8.221 -4.422 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.178 -10.265 -5.611 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.535 -9.292 -6.919 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.638 -10.229 -7.562 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.784 -8.487 -7.443 1.00 23.33 H new ATOM 271 N VAL A 17 7.074 -5.962 -5.384 1.00 8.99 N ATOM 272 CA VAL A 17 7.154 -4.591 -5.787 1.00 8.85 C ATOM 273 C VAL A 17 8.586 -4.215 -6.058 1.00 8.04 C ATOM 274 O VAL A 17 9.502 -4.971 -5.729 1.00 8.99 O ATOM 275 CB VAL A 17 6.582 -3.594 -4.815 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.080 -3.912 -4.687 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.216 -3.778 -3.452 1.00 10.54 C ATOM 0 H VAL A 17 7.755 -6.209 -4.666 1.00 8.99 H new ATOM 0 HA VAL A 17 6.536 -4.536 -6.683 1.00 8.85 H new ATOM 0 HB VAL A 17 6.763 -2.577 -5.162 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.618 -3.213 -3.990 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.604 -3.819 -5.663 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.954 -4.930 -4.318 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.797 -3.053 -2.755 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.016 -4.787 -3.091 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.293 -3.627 -3.528 1.00 10.54 H new ATOM 287 N GLU A 18 8.816 -3.029 -6.624 1.00 7.29 N ATOM 288 CA GLU A 18 10.180 -2.587 -7.006 1.00 7.08 C ATOM 289 C GLU A 18 10.338 -1.294 -6.246 1.00 6.45 C ATOM 290 O GLU A 18 9.365 -0.539 -6.120 1.00 5.28 O ATOM 291 CB GLU A 18 10.298 -2.142 -8.529 1.00 10.28 C ATOM 292 CG GLU A 18 11.664 -1.686 -8.959 1.00 12.65 C ATOM 293 CD GLU A 18 11.676 -1.319 -10.414 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.647 -1.279 -11.077 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.818 -1.156 -10.915 1.00 14.33 O ATOM 0 H GLU A 18 8.084 -2.350 -6.832 1.00 7.29 H new ATOM 0 HA GLU A 18 10.890 -3.392 -6.818 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.997 -2.978 -9.160 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.589 -1.334 -8.711 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.969 -0.827 -8.361 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.390 -2.477 -8.774 1.00 12.65 H new ATOM 302 N PRO A 19 11.475 -0.983 -5.574 1.00 7.24 N ATOM 303 CA PRO A 19 11.587 0.267 -4.808 1.00 7.07 C ATOM 304 C PRO A 19 11.192 1.597 -5.429 1.00 6.65 C ATOM 305 O PRO A 19 10.880 2.483 -4.657 1.00 6.37 O ATOM 306 CB PRO A 19 13.006 0.233 -4.302 1.00 7.61 C ATOM 307 CG PRO A 19 13.197 -1.262 -4.036 1.00 8.16 C ATOM 308 CD PRO A 19 12.517 -1.913 -5.188 1.00 7.49 C ATOM 0 HA PRO A 19 10.809 0.264 -4.045 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.714 0.613 -5.039 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.134 0.830 -3.399 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.253 -1.529 -3.991 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.752 -1.560 -3.087 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.212 -2.092 -6.008 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.100 -2.880 -4.907 1.00 7.49 H new ATOM 316 N SER A 20 11.234 1.709 -6.794 1.00 6.80 N ATOM 317 CA SER A 20 10.979 2.889 -7.590 1.00 6.28 C ATOM 318 C SER A 20 9.566 3.052 -7.836 1.00 8.45 C ATOM 319 O SER A 20 9.160 4.090 -8.322 1.00 7.26 O ATOM 320 CB SER A 20 11.778 2.847 -8.895 1.00 8.57 C ATOM 321 OG SER A 20 13.186 2.706 -8.710 1.00 11.13 O ATOM 0 H SER A 20 11.465 0.906 -7.378 1.00 6.80 H new ATOM 0 HA SER A 20 11.314 3.760 -7.027 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.417 2.018 -9.503 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.586 3.761 -9.456 1.00 8.57 H new ATOM 0 HG SER A 20 13.630 2.685 -9.583 1.00 11.13 H new ATOM 327 N ASP A 21 8.735 2.029 -7.563 1.00 7.50 N ATOM 328 CA ASP A 21 7.268 2.061 -7.672 1.00 7.70 C ATOM 329 C ASP A 21 6.668 3.180 -6.731 1.00 7.08 C ATOM 330 O ASP A 21 7.124 3.392 -5.641 1.00 8.11 O ATOM 331 CB ASP A 21 6.639 0.730 -7.182 1.00 11.00 C ATOM 332 CG ASP A 21 6.887 -0.457 -8.055 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.374 -0.196 -9.183 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.646 -1.643 -7.685 1.00 14.36 O ATOM 0 H ASP A 21 9.082 1.123 -7.248 1.00 7.50 H new ATOM 0 HA ASP A 21 7.042 2.244 -8.723 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.022 0.513 -6.185 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.562 0.870 -7.086 1.00 11.00 H new ATOM 339 N THR A 22 5.606 3.865 -7.170 1.00 5.37 N ATOM 340 CA THR A 22 4.888 4.851 -6.421 1.00 6.01 C ATOM 341 C THR A 22 3.734 4.183 -5.853 1.00 8.01 C ATOM 342 O THR A 22 3.261 3.122 -6.265 1.00 8.11 O ATOM 343 CB THR A 22 4.384 6.064 -7.232 1.00 8.92 C ATOM 344 OG1 THR A 22 3.681 5.633 -8.341 1.00 10.22 O ATOM 345 CG2 THR A 22 5.579 6.923 -7.690 1.00 9.65 C ATOM 0 H THR A 22 5.221 3.725 -8.104 1.00 5.37 H new ATOM 0 HA THR A 22 5.583 5.258 -5.686 1.00 6.01 H new ATOM 0 HB THR A 22 3.729 6.661 -6.598 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.363 6.409 -8.849 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.215 7.777 -8.262 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.128 7.278 -6.818 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.240 6.323 -8.315 1.00 9.65 H new ATOM 353 N ILE A 23 3.219 4.750 -4.755 1.00 8.32 N ATOM 354 CA ILE A 23 2.141 4.117 -3.948 1.00 9.92 C ATOM 355 C ILE A 23 0.888 3.895 -4.775 1.00 10.01 C ATOM 356 O ILE A 23 0.132 2.903 -4.541 1.00 8.71 O ATOM 357 CB ILE A 23 1.707 4.871 -2.673 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.000 5.410 -1.955 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.065 3.825 -1.727 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.066 4.417 -1.496 1.00 12.30 C ATOM 0 H ILE A 23 3.527 5.653 -4.394 1.00 8.32 H new ATOM 0 HA ILE A 23 2.606 3.184 -3.630 1.00 9.92 H new ATOM 0 HB ILE A 23 1.024 5.686 -2.912 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.480 6.117 -2.631 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.678 5.974 -1.080 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.742 4.315 -0.809 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.205 3.370 -2.218 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.796 3.053 -1.488 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.886 4.957 -1.022 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.630 3.719 -0.781 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.444 3.865 -2.357 1.00 12.30 H new ATOM 372 N GLU A 24 0.607 4.746 -5.777 1.00 9.54 N ATOM 373 CA GLU A 24 -0.446 4.543 -6.780 1.00 11.81 C ATOM 374 C GLU A 24 -0.361 3.266 -7.560 1.00 11.14 C ATOM 375 O GLU A 24 -1.363 2.608 -7.862 1.00 10.62 O ATOM 376 CB GLU A 24 -0.417 5.762 -7.724 1.00 19.24 C ATOM 377 CG GLU A 24 -1.492 5.850 -8.801 1.00 27.76 C ATOM 378 CD GLU A 24 -1.489 7.208 -9.445 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.399 7.720 -9.733 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.552 7.823 -9.666 1.00 36.51 O ATOM 0 H GLU A 24 1.121 5.616 -5.913 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.391 4.452 -6.244 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.481 6.662 -7.112 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.555 5.781 -8.218 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.320 5.083 -9.557 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.470 5.652 -8.363 1.00 27.76 H new ATOM 387 N ASN A 25 0.867 2.835 -7.905 1.00 9.43 N ATOM 388 CA ASN A 25 1.152 1.676 -8.554 1.00 10.96 C ATOM 389 C ASN A 25 0.928 0.421 -7.697 1.00 9.68 C ATOM 390 O ASN A 25 0.390 -0.577 -8.089 1.00 9.33 O ATOM 391 CB ASN A 25 2.574 1.748 -9.158 1.00 16.78 C ATOM 392 CG ASN A 25 2.697 0.785 -10.355 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.939 -0.441 -10.276 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.504 1.370 -11.560 1.00 24.70 N ATOM 0 H ASN A 25 1.705 3.376 -7.692 1.00 9.43 H new ATOM 0 HA ASN A 25 0.438 1.571 -9.371 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.789 2.767 -9.479 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.312 1.491 -8.399 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.555 0.812 -12.412 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.307 2.369 -11.616 1.00 24.70 H new ATOM 401 N VAL A 26 1.350 0.485 -6.446 1.00 6.52 N ATOM 402 CA VAL A 26 1.174 -0.515 -5.437 1.00 5.53 C ATOM 403 C VAL A 26 -0.276 -0.842 -5.213 1.00 4.42 C ATOM 404 O VAL A 26 -0.718 -2.017 -5.153 1.00 3.40 O ATOM 405 CB VAL A 26 1.918 -0.158 -4.183 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.836 -1.232 -3.114 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.409 0.070 -4.398 1.00 8.12 C ATOM 0 H VAL A 26 1.858 1.298 -6.097 1.00 6.52 H new ATOM 0 HA VAL A 26 1.620 -1.442 -5.797 1.00 5.53 H new ATOM 0 HB VAL A 26 1.423 0.761 -3.869 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.394 -0.913 -2.234 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.793 -1.396 -2.843 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.262 -2.160 -3.497 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.879 0.324 -3.448 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.862 -0.838 -4.796 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.554 0.888 -5.104 1.00 8.12 H new ATOM 417 N LYS A 27 -1.107 0.191 -5.180 1.00 2.64 N ATOM 418 CA LYS A 27 -2.590 0.168 -5.079 1.00 4.14 C ATOM 419 C LYS A 27 -3.260 -0.436 -6.329 1.00 5.58 C ATOM 420 O LYS A 27 -4.311 -1.073 -6.267 1.00 4.11 O ATOM 421 CB LYS A 27 -3.293 1.506 -4.733 1.00 3.97 C ATOM 422 CG LYS A 27 -2.885 2.073 -3.389 1.00 7.45 C ATOM 423 CD LYS A 27 -3.443 3.516 -3.197 1.00 9.02 C ATOM 424 CE LYS A 27 -3.062 4.139 -1.871 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.712 5.458 -1.709 1.00 15.47 N ATOM 0 H LYS A 27 -0.752 1.146 -5.226 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.735 -0.476 -4.211 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.069 2.237 -5.510 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.372 1.353 -4.741 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.254 1.428 -2.591 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.798 2.087 -3.311 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.077 4.149 -4.005 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.530 3.491 -3.279 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.357 3.479 -1.055 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.979 4.252 -1.814 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.221 5.998 -0.968 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.665 5.981 -2.607 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.707 5.324 -1.438 1.00 15.47 H new ATOM 439 N ALA A 28 -2.675 -0.240 -7.542 1.00 6.61 N ATOM 440 CA ALA A 28 -3.185 -0.844 -8.734 1.00 7.74 C ATOM 441 C ALA A 28 -2.910 -2.357 -8.757 1.00 9.17 C ATOM 442 O ALA A 28 -3.773 -3.180 -9.108 1.00 11.45 O ATOM 443 CB ALA A 28 -2.604 -0.145 -9.948 1.00 7.68 C ATOM 0 H ALA A 28 -1.848 0.339 -7.686 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.268 -0.725 -8.755 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.994 -0.607 -10.855 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.882 0.909 -9.929 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.518 -0.234 -9.934 1.00 7.68 H new ATOM 449 N LYS A 29 -1.698 -2.743 -8.211 1.00 8.96 N ATOM 450 CA LYS A 29 -1.242 -4.066 -7.930 1.00 7.90 C ATOM 451 C LYS A 29 -2.071 -4.754 -6.808 1.00 6.92 C ATOM 452 O LYS A 29 -2.448 -5.912 -6.894 1.00 6.87 O ATOM 453 CB LYS A 29 0.238 -3.989 -7.665 1.00 10.28 C ATOM 454 CG LYS A 29 0.919 -5.352 -7.369 1.00 14.94 C ATOM 455 CD LYS A 29 2.455 -5.327 -7.597 1.00 19.69 C ATOM 456 CE LYS A 29 2.897 -5.457 -9.066 1.00 22.63 C ATOM 457 NZ LYS A 29 4.404 -5.302 -9.187 1.00 24.98 N ATOM 0 H LYS A 29 -0.998 -2.047 -7.955 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.402 -4.721 -8.786 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.724 -3.536 -8.529 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.407 -3.323 -6.819 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.715 -5.637 -6.337 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.476 -6.119 -8.004 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.852 -4.395 -7.195 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.905 -6.138 -7.025 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.593 -6.428 -9.458 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.398 -4.699 -9.670 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.733 -5.775 -10.053 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.647 -4.292 -9.231 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.865 -5.733 -8.360 1.00 24.98 H new ATOM 471 N ILE A 30 -2.487 -4.047 -5.763 1.00 4.57 N ATOM 472 CA ILE A 30 -3.489 -4.477 -4.816 1.00 5.58 C ATOM 473 C ILE A 30 -4.851 -4.824 -5.520 1.00 7.26 C ATOM 474 O ILE A 30 -5.492 -5.829 -5.236 1.00 9.46 O ATOM 475 CB ILE A 30 -3.618 -3.566 -3.596 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.287 -3.698 -2.756 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.935 -3.835 -2.813 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.238 -2.577 -1.701 1.00 2.00 C ATOM 0 H ILE A 30 -2.115 -3.121 -5.551 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.131 -5.415 -4.391 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.717 -2.520 -3.886 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.245 -4.673 -2.270 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.420 -3.632 -3.414 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.990 -3.168 -1.953 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.789 -3.656 -3.466 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.950 -4.870 -2.471 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.321 -2.665 -1.119 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.261 -1.608 -2.199 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.098 -2.664 -1.037 1.00 2.00 H new ATOM 490 N GLN A 31 -5.345 -3.977 -6.492 1.00 7.06 N ATOM 491 CA GLN A 31 -6.547 -4.271 -7.244 1.00 8.67 C ATOM 492 C GLN A 31 -6.352 -5.539 -8.177 1.00 10.90 C ATOM 493 O GLN A 31 -7.350 -6.336 -8.316 1.00 9.63 O ATOM 494 CB GLN A 31 -6.891 -3.068 -8.119 1.00 9.12 C ATOM 495 CG GLN A 31 -8.224 -3.300 -8.804 1.00 10.76 C ATOM 496 CD GLN A 31 -8.673 -2.070 -9.677 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.895 -1.829 -9.676 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.730 -1.488 -10.477 1.00 14.76 N ATOM 0 H GLN A 31 -4.903 -3.094 -6.746 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.349 -4.482 -6.537 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.936 -2.165 -7.511 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.110 -2.912 -8.864 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.155 -4.185 -9.437 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.985 -3.505 -8.051 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.751 -1.762 -10.394 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.005 -0.780 -11.157 1.00 14.76 H new ATOM 507 N ASP A 32 -5.126 -5.749 -8.654 1.00 10.93 N ATOM 508 CA ASP A 32 -4.722 -6.932 -9.443 1.00 14.01 C ATOM 509 C ASP A 32 -4.815 -8.163 -8.578 1.00 14.04 C ATOM 510 O ASP A 32 -5.341 -9.152 -9.030 1.00 13.39 O ATOM 511 CB ASP A 32 -3.295 -6.716 -10.027 1.00 18.01 C ATOM 512 CG ASP A 32 -2.888 -7.484 -11.253 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.132 -6.928 -12.364 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.254 -8.564 -11.110 1.00 26.29 O ATOM 0 H ASP A 32 -4.361 -5.091 -8.504 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.394 -7.073 -10.289 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.188 -5.655 -10.252 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.578 -6.948 -9.240 1.00 18.01 H new ATOM 519 N LYS A 33 -4.448 -8.111 -7.274 1.00 14.22 N ATOM 520 CA LYS A 33 -4.676 -9.326 -6.389 1.00 14.00 C ATOM 521 C LYS A 33 -6.098 -9.536 -5.840 1.00 12.37 C ATOM 522 O LYS A 33 -6.690 -10.640 -5.931 1.00 12.17 O ATOM 523 CB LYS A 33 -3.768 -9.258 -5.076 1.00 18.62 C ATOM 524 CG LYS A 33 -2.242 -9.431 -5.368 1.00 24.00 C ATOM 525 CD LYS A 33 -1.856 -10.884 -5.783 1.00 27.61 C ATOM 526 CE LYS A 33 -0.355 -11.013 -5.880 1.00 27.64 C ATOM 527 NZ LYS A 33 0.133 -12.378 -5.977 1.00 30.06 N ATOM 0 H LYS A 33 -4.019 -7.307 -6.816 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.439 -10.138 -7.076 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.929 -8.301 -4.581 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.088 -10.034 -4.381 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.951 -8.744 -6.162 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.675 -9.151 -4.480 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.244 -11.594 -5.053 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.313 -11.131 -6.741 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.012 -10.456 -6.752 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.094 -10.543 -5.005 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.171 -12.372 -6.039 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.160 -12.912 -5.134 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.262 -12.828 -6.827 1.00 30.06 H new ATOM 541 N GLU A 34 -6.701 -8.442 -5.270 1.00 10.11 N ATOM 542 CA GLU A 34 -7.833 -8.609 -4.362 1.00 10.07 C ATOM 543 C GLU A 34 -9.087 -7.891 -4.885 1.00 9.32 C ATOM 544 O GLU A 34 -10.109 -7.812 -4.222 1.00 11.61 O ATOM 545 CB GLU A 34 -7.495 -8.132 -2.987 1.00 14.77 C ATOM 546 CG GLU A 34 -6.461 -9.036 -2.244 1.00 18.75 C ATOM 547 CD GLU A 34 -7.016 -10.439 -1.935 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.094 -10.539 -1.260 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.425 -11.487 -2.309 1.00 25.19 O ATOM 0 H GLU A 34 -6.417 -7.476 -5.431 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.052 -9.676 -4.313 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.098 -7.119 -3.051 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.409 -8.079 -2.396 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.563 -9.131 -2.854 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.165 -8.553 -1.313 1.00 18.75 H new ATOM 556 N GLY A 35 -8.994 -7.263 -6.082 1.00 7.22 N ATOM 557 CA GLY A 35 -10.106 -6.477 -6.613 1.00 6.29 C ATOM 558 C GLY A 35 -10.460 -5.205 -5.854 1.00 6.93 C ATOM 559 O GLY A 35 -11.472 -4.537 -6.177 1.00 7.41 O ATOM 0 H GLY A 35 -8.169 -7.291 -6.681 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.872 -6.206 -7.643 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.990 -7.114 -6.644 1.00 6.29 H new ATOM 563 N ILE A 36 -9.640 -4.775 -4.863 1.00 5.86 N ATOM 564 CA ILE A 36 -9.925 -3.604 -4.003 1.00 6.07 C ATOM 565 C ILE A 36 -9.662 -2.335 -4.797 1.00 6.36 C ATOM 566 O ILE A 36 -8.516 -2.225 -5.305 1.00 6.18 O ATOM 567 CB ILE A 36 -9.111 -3.523 -2.686 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.102 -4.892 -2.013 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.754 -2.394 -1.817 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.509 -4.923 -0.580 1.00 9.49 C ATOM 0 H ILE A 36 -8.758 -5.235 -4.638 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.968 -3.717 -3.706 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.065 -3.267 -2.852 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.125 -5.266 -1.973 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.535 -5.582 -2.638 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.209 -2.303 -0.877 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.707 -1.448 -2.357 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.795 -2.642 -1.610 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.549 -5.941 -0.192 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.473 -4.586 -0.608 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.088 -4.264 0.068 1.00 9.49 H new ATOM 582 N PRO A 37 -10.545 -1.314 -5.010 1.00 8.65 N ATOM 583 CA PRO A 37 -10.208 -0.218 -5.926 1.00 9.18 C ATOM 584 C PRO A 37 -9.101 0.774 -5.470 1.00 9.85 C ATOM 585 O PRO A 37 -9.063 0.880 -4.268 1.00 8.51 O ATOM 586 CB PRO A 37 -11.544 0.519 -6.057 1.00 11.42 C ATOM 587 CG PRO A 37 -12.597 -0.484 -5.719 1.00 9.27 C ATOM 588 CD PRO A 37 -11.961 -1.386 -4.704 1.00 8.33 C ATOM 0 HA PRO A 37 -9.779 -0.628 -6.841 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.587 1.374 -5.382 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.681 0.904 -7.068 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.487 -0.001 -5.316 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.909 -1.041 -6.602 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.167 -1.051 -3.687 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.336 -2.406 -4.786 1.00 8.33 H new ATOM 596 N PRO A 38 -8.217 1.451 -6.182 1.00 8.71 N ATOM 597 CA PRO A 38 -7.184 2.336 -5.617 1.00 9.08 C ATOM 598 C PRO A 38 -7.721 3.559 -4.886 1.00 9.28 C ATOM 599 O PRO A 38 -7.101 3.897 -3.869 1.00 6.50 O ATOM 600 CB PRO A 38 -6.314 2.704 -6.829 1.00 10.31 C ATOM 601 CG PRO A 38 -6.490 1.526 -7.887 1.00 10.81 C ATOM 602 CD PRO A 38 -7.971 1.080 -7.608 1.00 12.00 C ATOM 0 HA PRO A 38 -6.627 1.832 -4.827 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.626 3.658 -7.255 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.269 2.811 -6.538 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.350 1.870 -8.912 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.779 0.716 -7.723 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.669 1.586 -8.275 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.098 0.009 -7.766 1.00 12.00 H new ATOM 610 N ASP A 39 -8.916 4.136 -5.189 1.00 11.20 N ATOM 611 CA ASP A 39 -9.491 5.277 -4.517 1.00 14.96 C ATOM 612 C ASP A 39 -10.311 4.802 -3.349 1.00 13.99 C ATOM 613 O ASP A 39 -10.875 5.595 -2.530 1.00 13.75 O ATOM 614 CB ASP A 39 -10.362 6.106 -5.516 1.00 24.16 C ATOM 615 CG ASP A 39 -9.600 6.474 -6.755 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.844 7.442 -6.750 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.856 5.897 -7.864 1.00 34.22 O ATOM 0 H ASP A 39 -9.509 3.786 -5.942 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.697 5.926 -4.147 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.245 5.530 -5.791 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.714 7.013 -5.024 1.00 24.16 H new ATOM 622 N GLN A 40 -10.304 3.525 -3.104 1.00 11.60 N ATOM 623 CA GLN A 40 -10.888 2.994 -1.866 1.00 10.76 C ATOM 624 C GLN A 40 -9.792 2.744 -0.864 1.00 8.01 C ATOM 625 O GLN A 40 -10.011 2.153 0.151 1.00 8.96 O ATOM 626 CB GLN A 40 -11.751 1.734 -2.188 1.00 11.14 C ATOM 627 CG GLN A 40 -12.866 1.529 -1.180 1.00 14.85 C ATOM 628 CD GLN A 40 -13.719 0.381 -1.665 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.297 -0.768 -1.630 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.934 0.609 -2.209 1.00 18.16 N ATOM 0 H GLN A 40 -9.908 2.821 -3.727 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.565 3.717 -1.412 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.179 1.835 -3.185 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.111 0.852 -2.203 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.455 1.310 -0.194 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.464 2.435 -1.082 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.305 1.558 -2.249 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.481 -0.168 -2.580 1.00 18.16 H new ATOM 639 N GLN A 41 -8.525 3.167 -1.127 1.00 6.52 N ATOM 640 CA GLN A 41 -7.384 2.765 -0.294 1.00 3.87 C ATOM 641 C GLN A 41 -6.528 3.938 0.261 1.00 4.79 C ATOM 642 O GLN A 41 -6.143 4.874 -0.426 1.00 6.34 O ATOM 643 CB GLN A 41 -6.449 1.882 -1.185 1.00 4.20 C ATOM 644 CG GLN A 41 -7.006 0.465 -1.537 1.00 3.20 C ATOM 645 CD GLN A 41 -6.011 -0.154 -2.434 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.817 -0.346 -2.134 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.419 -0.624 -3.635 1.00 7.13 N ATOM 0 H GLN A 41 -8.281 3.780 -1.905 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.797 2.249 0.573 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.248 2.416 -2.114 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.494 1.762 -0.673 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.145 -0.134 -0.637 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.978 0.538 -2.025 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.386 -0.495 -3.931 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.759 -1.108 -4.244 1.00 7.13 H new ATOM 656 N ARG A 42 -6.210 3.797 1.560 1.00 5.73 N ATOM 657 CA ARG A 42 -5.122 4.465 2.200 1.00 6.97 C ATOM 658 C ARG A 42 -4.078 3.528 2.718 1.00 7.15 C ATOM 659 O ARG A 42 -4.416 2.509 3.323 1.00 7.33 O ATOM 660 CB ARG A 42 -5.603 5.312 3.512 1.00 13.23 C ATOM 661 CG ARG A 42 -6.446 6.454 3.040 1.00 21.27 C ATOM 662 CD ARG A 42 -6.701 7.590 4.018 1.00 26.14 C ATOM 663 NE ARG A 42 -7.586 8.581 3.309 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.888 8.787 3.542 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.562 8.078 4.468 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.635 9.774 2.995 1.00 36.39 N ATOM 0 H ARG A 42 -6.735 3.191 2.191 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.722 5.109 1.417 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.170 4.675 4.191 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.739 5.679 4.066 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.975 6.875 2.151 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.411 6.054 2.730 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.182 7.220 4.924 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.764 8.056 4.322 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.152 9.150 2.582 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.080 7.363 5.013 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.554 8.256 4.624 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.209 10.436 2.347 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.624 9.855 3.231 1.00 36.39 H new ATOM 680 N LEU A 43 -2.767 3.782 2.492 1.00 4.65 N ATOM 681 CA LEU A 43 -1.709 2.929 3.061 1.00 3.51 C ATOM 682 C LEU A 43 -1.059 3.628 4.206 1.00 5.56 C ATOM 683 O LEU A 43 -0.591 4.744 4.160 1.00 4.19 O ATOM 684 CB LEU A 43 -0.538 2.675 2.048 1.00 3.74 C ATOM 685 CG LEU A 43 -0.947 1.801 0.775 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.350 1.167 0.230 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.935 0.645 1.120 1.00 6.41 C ATOM 0 H LEU A 43 -2.425 4.560 1.928 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.198 1.995 3.339 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.154 3.636 1.706 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.277 2.174 2.571 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.446 2.453 0.058 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.118 0.558 -0.644 1.00 9.55 H new ATOM 0 HD12 LEU A 43 1.049 1.954 -0.051 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.800 0.540 1.000 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.174 0.088 0.214 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.473 -0.024 1.846 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.849 1.062 1.542 1.00 6.41 H new ATOM 699 N ILE A 44 -0.843 2.929 5.259 1.00 4.58 N ATOM 700 CA ILE A 44 -0.090 3.310 6.419 1.00 5.55 C ATOM 701 C ILE A 44 1.127 2.394 6.617 1.00 5.46 C ATOM 702 O ILE A 44 0.944 1.196 6.562 1.00 6.04 O ATOM 703 CB ILE A 44 -0.985 3.425 7.615 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.050 4.502 7.397 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.112 3.689 8.839 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.871 4.777 8.637 1.00 13.90 C ATOM 0 H ILE A 44 -1.220 1.986 5.349 1.00 4.58 H new ATOM 0 HA ILE A 44 0.328 4.305 6.269 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.534 2.497 7.776 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.566 5.424 7.076 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.713 4.192 6.590 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.743 3.777 9.724 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.587 2.863 8.972 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.444 4.616 8.696 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.609 5.549 8.421 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.381 3.864 8.946 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.216 5.116 9.439 1.00 13.90 H new ATOM 718 N PHE A 45 2.317 2.956 6.806 1.00 6.75 N ATOM 719 CA PHE A 45 3.509 2.202 7.136 1.00 4.70 C ATOM 720 C PHE A 45 4.253 2.937 8.290 1.00 6.34 C ATOM 721 O PHE A 45 4.460 4.190 8.292 1.00 5.45 O ATOM 722 CB PHE A 45 4.390 2.077 5.872 1.00 5.51 C ATOM 723 CG PHE A 45 5.714 1.392 6.008 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.822 0.070 6.439 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.909 2.120 5.764 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.093 -0.465 6.746 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.141 1.564 6.087 1.00 6.64 C ATOM 728 CZ PHE A 45 8.253 0.260 6.538 1.00 6.84 C ATOM 0 H PHE A 45 2.476 3.961 6.732 1.00 6.75 H new ATOM 0 HA PHE A 45 3.261 1.195 7.472 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.814 1.546 5.114 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.571 3.081 5.489 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.938 -0.542 6.538 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.860 3.106 5.327 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.161 -1.463 7.153 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.033 2.164 5.984 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.222 -0.180 6.723 1.00 6.84 H new ATOM 738 N ALA A 46 4.698 2.201 9.352 1.00 6.53 N ATOM 739 CA ALA A 46 5.508 2.734 10.382 1.00 7.15 C ATOM 740 C ALA A 46 4.844 3.865 11.205 1.00 9.00 C ATOM 741 O ALA A 46 5.566 4.740 11.722 1.00 11.15 O ATOM 742 CB ALA A 46 6.914 3.090 9.911 1.00 8.99 C ATOM 0 H ALA A 46 4.477 1.213 9.476 1.00 6.53 H new ATOM 0 HA ALA A 46 5.619 1.912 11.089 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.486 3.494 10.746 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.408 2.196 9.531 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.854 3.836 9.118 1.00 8.99 H new ATOM 748 N GLY A 47 3.543 3.829 11.376 1.00 9.35 N ATOM 749 CA GLY A 47 2.783 4.956 12.008 1.00 11.68 C ATOM 750 C GLY A 47 2.469 6.052 10.997 1.00 11.14 C ATOM 751 O GLY A 47 1.752 6.946 11.381 1.00 13.93 O ATOM 0 H GLY A 47 2.960 3.041 11.095 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.855 4.576 12.435 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.365 5.373 12.830 1.00 11.68 H new ATOM 755 N LYS A 48 2.973 6.014 9.745 1.00 10.47 N ATOM 756 CA LYS A 48 2.890 7.178 8.811 1.00 8.82 C ATOM 757 C LYS A 48 2.090 6.748 7.568 1.00 7.68 C ATOM 758 O LYS A 48 2.289 5.723 6.925 1.00 6.47 O ATOM 759 CB LYS A 48 4.244 7.601 8.276 1.00 9.74 C ATOM 760 CG LYS A 48 4.292 8.757 7.243 1.00 14.14 C ATOM 761 CD LYS A 48 5.609 9.437 7.120 1.00 16.32 C ATOM 762 CE LYS A 48 6.765 8.446 6.719 1.00 20.04 C ATOM 763 NZ LYS A 48 8.067 9.098 6.785 1.00 23.92 N ATOM 0 H LYS A 48 3.441 5.198 9.351 1.00 10.47 H new ATOM 0 HA LYS A 48 2.440 7.996 9.373 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.864 7.887 9.126 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.711 6.727 7.821 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.011 8.363 6.266 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.541 9.499 7.515 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.537 10.228 6.373 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.857 9.915 8.068 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.754 7.583 7.384 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.593 8.073 5.709 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.809 8.420 6.516 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.083 9.907 6.132 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.239 9.432 7.755 1.00 23.92 H new ATOM 777 N GLN A 49 1.038 7.514 7.255 1.00 8.89 N ATOM 778 CA GLN A 49 0.296 7.432 6.004 1.00 7.18 C ATOM 779 C GLN A 49 1.206 7.756 4.826 1.00 8.23 C ATOM 780 O GLN A 49 2.094 8.667 4.842 1.00 9.70 O ATOM 781 CB GLN A 49 -0.945 8.359 6.167 1.00 11.67 C ATOM 782 CG GLN A 49 -1.947 8.147 5.056 1.00 15.82 C ATOM 783 CD GLN A 49 -3.217 8.868 5.488 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.062 8.185 6.102 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.351 10.202 5.200 1.00 20.67 N ATOM 0 H GLN A 49 0.674 8.227 7.887 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.064 6.427 5.783 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.421 8.166 7.129 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.624 9.401 6.174 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.574 8.547 4.113 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.136 7.085 4.899 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.613 10.691 4.693 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.188 10.705 5.493 1.00 20.67 H new ATOM 794 N LEU A 50 1.127 6.996 3.728 1.00 6.51 N ATOM 795 CA LEU A 50 1.948 7.042 2.560 1.00 7.41 C ATOM 796 C LEU A 50 1.155 7.568 1.383 1.00 8.27 C ATOM 797 O LEU A 50 0.027 7.204 1.140 1.00 8.34 O ATOM 798 CB LEU A 50 2.467 5.624 2.059 1.00 7.13 C ATOM 799 CG LEU A 50 3.085 4.672 3.080 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.757 3.621 2.248 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.103 5.515 3.913 1.00 9.11 C ATOM 0 H LEU A 50 0.413 6.272 3.649 1.00 6.51 H new ATOM 0 HA LEU A 50 2.788 7.669 2.859 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.627 5.110 1.592 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.207 5.799 1.278 1.00 7.13 H new ATOM 0 HG LEU A 50 2.386 4.207 3.775 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.232 2.889 2.901 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.016 3.123 1.623 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.512 4.086 1.615 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.576 4.879 4.661 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.866 5.923 3.250 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.579 6.332 4.410 1.00 9.11 H new ATOM 813 N GLU A 51 1.688 8.574 0.661 1.00 9.43 N ATOM 814 CA GLU A 51 0.895 9.244 -0.367 1.00 11.90 C ATOM 815 C GLU A 51 1.197 8.729 -1.789 1.00 11.49 C ATOM 816 O GLU A 51 2.300 8.437 -2.231 1.00 9.88 O ATOM 817 CB GLU A 51 0.991 10.799 -0.254 1.00 16.56 C ATOM 818 CG GLU A 51 2.343 11.487 -0.488 1.00 26.06 C ATOM 819 CD GLU A 51 2.243 13.014 -0.395 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.329 13.491 0.749 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.990 13.733 -1.414 1.00 33.44 O ATOM 0 H GLU A 51 2.639 8.927 0.772 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.145 8.980 -0.177 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.280 11.223 -0.963 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.650 11.077 0.744 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.063 11.127 0.247 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.724 11.209 -1.471 1.00 26.06 H new ATOM 828 N ASP A 52 0.100 8.639 -2.615 1.00 12.71 N ATOM 829 CA ASP A 52 0.054 8.178 -3.989 1.00 16.56 C ATOM 830 C ASP A 52 1.094 8.639 -5.023 1.00 15.83 C ATOM 831 O ASP A 52 1.612 7.905 -5.803 1.00 17.21 O ATOM 832 CB ASP A 52 -1.391 8.649 -4.488 1.00 21.05 C ATOM 833 CG ASP A 52 -2.428 8.164 -3.547 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.559 6.916 -3.471 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.155 8.941 -2.832 1.00 28.37 O ATOM 0 H ASP A 52 -0.825 8.914 -2.284 1.00 12.71 H new ATOM 0 HA ASP A 52 0.282 7.113 -3.946 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.427 9.736 -4.554 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.585 8.262 -5.488 1.00 21.05 H new ATOM 840 N GLY A 53 1.398 9.963 -4.927 1.00 15.00 N ATOM 841 CA GLY A 53 2.448 10.630 -5.622 1.00 11.77 C ATOM 842 C GLY A 53 3.943 10.419 -5.236 1.00 11.10 C ATOM 843 O GLY A 53 4.826 11.046 -5.787 1.00 11.25 O ATOM 0 H GLY A 53 0.870 10.593 -4.323 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.352 10.362 -6.674 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.249 11.699 -5.546 1.00 11.77 H new ATOM 847 N ARG A 54 4.275 9.547 -4.220 1.00 8.53 N ATOM 848 CA ARG A 54 5.641 9.261 -3.691 1.00 9.05 C ATOM 849 C ARG A 54 5.987 7.791 -3.892 1.00 8.96 C ATOM 850 O ARG A 54 5.074 7.000 -4.021 1.00 11.60 O ATOM 851 CB ARG A 54 5.693 9.566 -2.173 1.00 7.97 C ATOM 852 CG ARG A 54 5.586 11.083 -1.898 1.00 9.62 C ATOM 853 CD ARG A 54 6.896 11.882 -2.078 1.00 12.20 C ATOM 854 NE ARG A 54 6.712 13.266 -1.591 1.00 18.23 N ATOM 855 CZ ARG A 54 7.702 14.034 -1.168 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.853 13.559 -0.671 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.616 15.372 -1.120 1.00 23.38 N ATOM 0 H ARG A 54 3.559 9.007 -3.734 1.00 8.53 H new ATOM 0 HA ARG A 54 6.353 9.888 -4.228 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.880 9.045 -1.668 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.625 9.184 -1.755 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.830 11.503 -2.561 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.230 11.226 -0.878 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.705 11.399 -1.530 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.184 11.892 -3.129 1.00 12.20 H new ATOM 0 HE ARG A 54 5.767 13.650 -1.581 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.002 12.552 -0.603 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.579 14.204 -0.361 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.759 15.839 -1.418 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.407 15.922 -0.786 1.00 23.38 H new ATOM 871 N THR A 55 7.300 7.426 -4.033 1.00 9.05 N ATOM 872 CA THR A 55 7.847 6.069 -4.070 1.00 9.03 C ATOM 873 C THR A 55 8.125 5.423 -2.738 1.00 8.15 C ATOM 874 O THR A 55 8.374 6.053 -1.678 1.00 5.91 O ATOM 875 CB THR A 55 9.203 5.946 -4.874 1.00 11.15 C ATOM 876 OG1 THR A 55 10.258 6.695 -4.287 1.00 11.95 O ATOM 877 CG2 THR A 55 8.884 6.481 -6.293 1.00 11.71 C ATOM 0 H THR A 55 8.033 8.129 -4.128 1.00 9.05 H new ATOM 0 HA THR A 55 7.024 5.551 -4.564 1.00 9.03 H new ATOM 0 HB THR A 55 9.552 4.913 -4.880 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.103 6.209 -4.393 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.780 6.427 -6.912 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.096 5.876 -6.741 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.551 7.517 -6.225 1.00 11.71 H new ATOM 885 N LEU A 56 8.188 4.070 -2.746 1.00 6.91 N ATOM 886 CA LEU A 56 8.722 3.200 -1.731 1.00 8.29 C ATOM 887 C LEU A 56 10.208 3.620 -1.366 1.00 8.05 C ATOM 888 O LEU A 56 10.524 3.707 -0.175 1.00 10.17 O ATOM 889 CB LEU A 56 8.711 1.682 -2.133 1.00 6.60 C ATOM 890 CG LEU A 56 7.331 1.040 -2.405 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.423 -0.433 -2.753 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.399 1.208 -1.182 1.00 8.64 C ATOM 0 H LEU A 56 7.830 3.538 -3.540 1.00 6.91 H new ATOM 0 HA LEU A 56 8.064 3.315 -0.870 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.322 1.564 -3.028 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.197 1.117 -1.338 1.00 6.60 H new ATOM 0 HG LEU A 56 6.920 1.564 -3.268 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.423 -0.827 -2.933 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.029 -0.558 -3.650 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.883 -0.974 -1.926 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.433 0.749 -1.395 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.847 0.725 -0.314 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.259 2.269 -0.974 1.00 8.64 H new ATOM 904 N SER A 57 11.049 3.887 -2.360 1.00 8.92 N ATOM 905 CA SER A 57 12.353 4.539 -2.143 1.00 9.00 C ATOM 906 C SER A 57 12.299 5.937 -1.424 1.00 9.44 C ATOM 907 O SER A 57 13.268 6.280 -0.746 1.00 10.91 O ATOM 908 CB SER A 57 13.280 4.600 -3.481 1.00 10.32 C ATOM 909 OG SER A 57 12.820 5.465 -4.486 1.00 13.59 O ATOM 0 H SER A 57 10.855 3.662 -3.336 1.00 8.92 H new ATOM 0 HA SER A 57 12.838 3.868 -1.434 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.286 4.905 -3.193 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.358 3.595 -3.896 1.00 10.32 H new ATOM 0 HG SER A 57 13.436 5.439 -5.247 1.00 13.59 H new ATOM 915 N ASP A 58 11.206 6.777 -1.411 1.00 9.11 N ATOM 916 CA ASP A 58 11.208 8.027 -0.700 1.00 7.91 C ATOM 917 C ASP A 58 11.074 7.725 0.754 1.00 9.12 C ATOM 918 O ASP A 58 11.762 8.264 1.648 1.00 8.61 O ATOM 919 CB ASP A 58 10.160 8.953 -1.258 1.00 8.41 C ATOM 920 CG ASP A 58 10.275 10.318 -0.679 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.216 11.099 -1.056 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.430 10.731 0.163 1.00 10.05 O ATOM 0 H ASP A 58 10.332 6.575 -1.897 1.00 9.11 H new ATOM 0 HA ASP A 58 12.144 8.570 -0.831 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.260 9.007 -2.342 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.169 8.550 -1.049 1.00 8.41 H new ATOM 927 N TYR A 59 10.189 6.743 1.059 1.00 7.97 N ATOM 928 CA TYR A 59 9.859 6.314 2.416 1.00 8.45 C ATOM 929 C TYR A 59 10.827 5.298 2.970 1.00 10.98 C ATOM 930 O TYR A 59 10.726 4.897 4.137 1.00 12.95 O ATOM 931 CB TYR A 59 8.441 5.731 2.356 1.00 7.94 C ATOM 932 CG TYR A 59 7.368 6.761 2.072 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.131 7.823 2.938 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.550 6.623 0.972 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.055 8.692 2.803 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.575 7.592 0.697 1.00 6.52 C ATOM 937 CZ TYR A 59 5.268 8.566 1.649 1.00 6.76 C ATOM 938 OH TYR A 59 4.223 9.463 1.425 1.00 7.63 O ATOM 0 H TYR A 59 9.681 6.224 0.343 1.00 7.97 H new ATOM 0 HA TYR A 59 9.923 7.168 3.091 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.407 4.962 1.584 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.219 5.241 3.304 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.818 7.980 3.757 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.660 5.768 0.321 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.834 9.434 3.556 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.061 7.585 -0.253 1.00 6.52 H new ATOM 0 HH TYR A 59 4.442 10.328 1.830 1.00 7.63 H new ATOM 948 N ASN A 60 11.790 4.848 2.108 1.00 12.38 N ATOM 949 CA ASN A 60 12.846 3.948 2.495 1.00 13.94 C ATOM 950 C ASN A 60 12.394 2.575 2.992 1.00 14.16 C ATOM 951 O ASN A 60 12.809 2.135 4.064 1.00 14.26 O ATOM 952 CB ASN A 60 13.706 4.572 3.641 1.00 19.23 C ATOM 953 CG ASN A 60 14.119 5.960 3.255 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.089 6.107 2.505 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.360 7.039 3.662 1.00 24.09 N ATOM 0 H ASN A 60 11.827 5.120 1.126 1.00 12.38 H new ATOM 0 HA ASN A 60 13.406 3.801 1.571 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.134 4.596 4.568 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.587 3.957 3.826 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.597 7.978 3.343 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.563 6.897 4.282 1.00 24.09 H new ATOM 962 N ILE A 61 11.470 1.981 2.260 1.00 11.08 N ATOM 963 CA ILE A 61 10.776 0.761 2.742 1.00 11.78 C ATOM 964 C ILE A 61 11.531 -0.488 2.304 1.00 13.74 C ATOM 965 O ILE A 61 11.957 -0.658 1.158 1.00 14.60 O ATOM 966 CB ILE A 61 9.369 0.829 2.275 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.738 2.108 2.774 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.577 -0.437 2.662 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.246 2.357 2.540 1.00 11.42 C ATOM 0 H ILE A 61 11.173 2.304 1.339 1.00 11.08 H new ATOM 0 HA ILE A 61 10.758 0.704 3.830 1.00 11.78 H new ATOM 0 HB ILE A 61 9.348 0.853 1.185 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.913 2.160 3.849 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.282 2.938 2.322 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.552 -0.349 2.303 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.046 -1.312 2.211 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.573 -0.546 3.746 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.967 3.322 2.964 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.041 2.358 1.469 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.666 1.569 3.020 1.00 11.42 H new ATOM 981 N GLN A 62 11.778 -1.394 3.248 1.00 13.97 N ATOM 982 CA GLN A 62 12.697 -2.500 3.136 1.00 15.52 C ATOM 983 C GLN A 62 11.951 -3.764 2.803 1.00 13.94 C ATOM 984 O GLN A 62 10.730 -3.798 2.861 1.00 12.15 O ATOM 985 CB GLN A 62 13.607 -2.681 4.439 1.00 19.53 C ATOM 986 CG GLN A 62 14.346 -1.362 4.786 1.00 26.38 C ATOM 987 CD GLN A 62 15.128 -0.720 3.585 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.686 0.417 2.959 1.00 33.23 O flip ATOM 989 NE2 GLN A 62 16.178 -1.321 3.287 1.00 32.71 N flip ATOM 0 H GLN A 62 11.313 -1.365 4.155 1.00 13.97 H new ATOM 0 HA GLN A 62 13.383 -2.274 2.320 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.986 -2.987 5.281 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.333 -3.476 4.273 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.619 -0.640 5.158 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.047 -1.556 5.598 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.446 -2.163 3.797 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.770 -0.971 2.534 1.00 32.71 H new ATOM 998 N LYS A 63 12.687 -4.854 2.379 1.00 11.73 N ATOM 999 CA LYS A 63 12.231 -6.172 2.073 1.00 11.97 C ATOM 1000 C LYS A 63 11.357 -6.767 3.143 1.00 10.41 C ATOM 1001 O LYS A 63 11.625 -6.641 4.348 1.00 9.59 O ATOM 1002 CB LYS A 63 13.453 -7.099 1.826 1.00 13.73 C ATOM 1003 CG LYS A 63 14.255 -7.562 2.999 1.00 16.98 C ATOM 1004 CD LYS A 63 15.604 -6.805 3.089 1.00 20.19 C ATOM 1005 CE LYS A 63 16.426 -7.273 4.295 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.856 -6.726 4.208 1.00 25.97 N ATOM 0 H LYS A 63 13.695 -4.775 2.247 1.00 11.73 H new ATOM 0 HA LYS A 63 11.617 -6.091 1.176 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.095 -7.985 1.301 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.130 -6.579 1.148 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.686 -7.407 3.916 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.441 -8.633 2.916 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.174 -6.964 2.174 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.418 -5.734 3.167 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.955 -6.935 5.218 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.447 -8.362 4.329 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.402 -7.050 5.031 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.307 -7.070 3.336 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.830 -5.686 4.198 1.00 25.97 H new ATOM 1020 N GLU A 64 10.249 -7.536 2.829 1.00 10.04 N ATOM 1021 CA GLU A 64 9.523 -8.282 3.820 1.00 10.94 C ATOM 1022 C GLU A 64 9.002 -7.406 4.944 1.00 9.74 C ATOM 1023 O GLU A 64 8.876 -7.832 6.108 1.00 9.42 O ATOM 1024 CB GLU A 64 10.347 -9.513 4.354 1.00 18.31 C ATOM 1025 CG GLU A 64 10.774 -10.453 3.233 1.00 24.16 C ATOM 1026 CD GLU A 64 11.683 -11.508 3.755 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.469 -12.195 4.784 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.713 -11.736 3.037 1.00 31.72 O ATOM 0 H GLU A 64 9.875 -7.626 1.884 1.00 10.04 H new ATOM 0 HA GLU A 64 8.643 -8.686 3.319 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.231 -9.154 4.881 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.746 -10.063 5.078 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.895 -10.913 2.782 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.276 -9.888 2.448 1.00 24.16 H new ATOM 1035 N SER A 65 8.623 -6.129 4.632 1.00 6.85 N ATOM 1036 CA SER A 65 8.025 -5.210 5.581 1.00 6.90 C ATOM 1037 C SER A 65 6.535 -5.378 5.563 1.00 4.72 C ATOM 1038 O SER A 65 5.936 -5.681 4.553 1.00 3.91 O ATOM 1039 CB SER A 65 8.198 -3.735 5.198 1.00 7.28 C ATOM 1040 OG SER A 65 9.633 -3.501 5.206 1.00 10.56 O ATOM 0 H SER A 65 8.736 -5.731 3.700 1.00 6.85 H new ATOM 0 HA SER A 65 8.511 -5.434 6.531 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.772 -3.531 4.216 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.689 -3.082 5.907 1.00 7.28 H new ATOM 0 HG SER A 65 10.024 -3.839 4.373 1.00 10.56 H new ATOM 1046 N THR A 66 5.854 -5.183 6.744 1.00 4.48 N ATOM 1047 CA THR A 66 4.423 -5.144 6.853 1.00 3.80 C ATOM 1048 C THR A 66 3.863 -3.767 6.698 1.00 4.60 C ATOM 1049 O THR A 66 4.245 -2.846 7.407 1.00 5.33 O ATOM 1050 CB THR A 66 3.824 -5.879 8.064 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.361 -7.196 8.106 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.341 -6.031 8.049 1.00 3.40 C ATOM 0 H THR A 66 6.329 -5.051 7.637 1.00 4.48 H new ATOM 0 HA THR A 66 4.095 -5.731 5.995 1.00 3.80 H new ATOM 0 HB THR A 66 4.080 -5.262 8.926 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.989 -7.677 8.875 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.021 -6.562 8.945 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.875 -5.046 8.024 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.042 -6.596 7.166 1.00 3.40 H new ATOM 1060 N LEU A 67 2.908 -3.587 5.847 1.00 4.17 N ATOM 1061 CA LEU A 67 2.282 -2.308 5.511 1.00 3.85 C ATOM 1062 C LEU A 67 0.763 -2.478 5.818 1.00 3.80 C ATOM 1063 O LEU A 67 0.278 -3.606 5.734 1.00 5.54 O ATOM 1064 CB LEU A 67 2.583 -1.940 4.066 1.00 7.18 C ATOM 1065 CG LEU A 67 3.993 -1.485 3.728 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.815 -2.583 3.127 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.019 -0.256 2.866 1.00 11.66 C ATOM 0 H LEU A 67 2.504 -4.364 5.324 1.00 4.17 H new ATOM 0 HA LEU A 67 2.673 -1.477 6.098 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.353 -2.806 3.445 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.896 -1.146 3.773 1.00 7.18 H new ATOM 0 HG LEU A 67 4.450 -1.214 4.680 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.814 -2.209 2.903 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.887 -3.411 3.832 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.343 -2.930 2.208 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.053 0.021 2.658 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.502 -0.458 1.928 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.521 0.563 3.385 1.00 11.66 H new ATOM 1079 N HIS A 68 0.147 -1.420 6.191 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.220 -1.445 6.736 1.00 4.17 C ATOM 1081 C HIS A 68 -2.159 -0.687 5.826 1.00 5.32 C ATOM 1082 O HIS A 68 -1.818 0.350 5.329 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.279 -0.818 8.151 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.187 -1.354 9.042 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.084 -0.813 9.301 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.238 -2.567 9.728 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.728 -1.719 10.083 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.983 -2.765 10.371 1.00 16.30 N ATOM 0 H HIS A 68 0.554 -0.486 6.139 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.525 -2.489 6.802 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.187 0.265 8.074 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.250 -1.024 8.601 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.082 -3.240 9.756 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.743 -1.594 10.431 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.247 -3.562 10.950 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.323 -1.324 5.614 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.252 -0.871 4.636 1.00 3.97 C ATOM 1098 C LEU A 69 -5.523 -0.406 5.344 1.00 5.07 C ATOM 1099 O LEU A 69 -6.070 -1.120 6.167 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.608 -2.067 3.662 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.618 -1.734 2.504 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.058 -0.638 1.480 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.828 -3.003 1.710 1.00 9.96 C ATOM 0 H LEU A 69 -3.619 -2.156 6.124 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.820 -0.049 4.064 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.683 -2.435 3.217 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.022 -2.882 4.255 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.527 -1.343 2.960 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.801 -0.452 0.704 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.852 0.289 2.016 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.139 -1.004 1.022 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.525 -2.811 0.895 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.875 -3.338 1.301 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.235 -3.776 2.361 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.932 0.776 4.959 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.138 1.398 5.415 1.00 6.26 C ATOM 1117 C VAL A 70 -8.088 1.577 4.272 1.00 9.22 C ATOM 1118 O VAL A 70 -7.700 2.024 3.181 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.907 2.685 6.223 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.247 3.117 6.890 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.777 2.452 7.167 1.00 8.54 C ATOM 0 H VAL A 70 -5.411 1.349 4.295 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.601 0.723 6.134 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.611 3.525 5.595 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.090 4.030 7.465 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.995 3.298 6.119 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.595 2.326 7.554 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.598 3.355 7.750 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.027 1.631 7.838 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.879 2.199 6.604 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.348 1.124 4.457 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.442 1.103 3.410 1.00 16.06 C ATOM 1133 C LEU A 71 -11.539 2.113 3.716 1.00 18.09 C ATOM 1134 O LEU A 71 -12.133 2.050 4.777 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.126 -0.248 3.215 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.184 -1.363 2.756 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.901 -2.648 2.374 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.253 -0.957 1.605 1.00 19.57 C ATOM 0 H LEU A 71 -9.659 0.750 5.353 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.907 1.352 2.493 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.594 -0.545 4.153 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.925 -0.137 2.482 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.577 -1.550 3.642 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.170 -3.393 2.059 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.455 -3.025 3.234 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.592 -2.449 1.555 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.617 -1.800 1.337 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.849 -0.663 0.741 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.631 -0.119 1.919 1.00 19.57 H new