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 7 THR OG1 : rot -137:sc= 1.43 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 2.53 (180deg=2.29) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.025) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -42:sc= 0.448 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00203 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 0.756 (180deg=0.498) USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= 1.27 (180deg=-0.158) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.54 K(o=-1.5,f=-5.9!) USER MOD Single : A 41 GLN : amide:sc= 0.742 K(o=0.74,f=-0.73) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00548) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.141 F(o=-1.4!,f=-0.14) USER MOD Single : A 55 THR OG1 : rot -41:sc= 1.25 USER MOD Single : A 57 SER OG : rot 92:sc= 1.23 USER MOD Single : A 59 TYR OH : rot -38:sc= 0.477 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 0.542 (180deg=-0.191) USER MOD Single : A 65 SER OG : rot 98:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.76! C(o=-0.76!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.024 3.493 -3.094 1.00 9.67 N ATOM 2 CA MET A 1 -13.572 4.144 -1.844 1.00 10.38 C ATOM 3 C MET A 1 -12.122 4.474 -1.750 1.00 9.62 C ATOM 4 O MET A 1 -11.241 3.865 -2.355 1.00 9.62 O ATOM 5 CB MET A 1 -13.952 3.207 -0.685 1.00 13.77 C ATOM 6 CG MET A 1 -13.132 1.922 -0.551 1.00 16.29 C ATOM 7 SD MET A 1 -13.813 0.782 0.691 1.00 17.17 S ATOM 8 CE MET A 1 -12.312 -0.225 0.868 1.00 16.11 C ATOM 0 H1 MET A 1 -14.997 3.146 -2.973 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.997 4.181 -3.873 1.00 9.67 H new ATOM 0 H3 MET A 1 -13.397 2.694 -3.316 1.00 9.67 H new ATOM 0 HA MET A 1 -14.066 5.115 -1.811 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.867 3.765 0.247 1.00 13.77 H new ATOM 0 HB3 MET A 1 -15.001 2.933 -0.798 1.00 13.77 H new ATOM 0 HG2 MET A 1 -13.092 1.419 -1.517 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.107 2.176 -0.282 1.00 16.29 H new ATOM 0 HE1 MET A 1 -12.488 -1.015 1.599 1.00 16.11 H new ATOM 0 HE2 MET A 1 -12.057 -0.671 -0.094 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.489 0.405 1.205 1.00 16.11 H new ATOM 20 N GLN A 2 -11.757 5.646 -1.201 1.00 9.27 N ATOM 21 CA GLN A 2 -10.405 6.109 -1.151 1.00 9.07 C ATOM 22 C GLN A 2 -9.705 5.688 0.096 1.00 8.72 C ATOM 23 O GLN A 2 -10.295 5.684 1.175 1.00 8.22 O ATOM 24 CB GLN A 2 -10.448 7.645 -1.213 1.00 14.46 C ATOM 25 CG GLN A 2 -10.630 8.271 -2.597 1.00 17.01 C ATOM 26 CD GLN A 2 -10.769 9.785 -2.523 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.778 10.413 -1.465 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.960 10.453 -3.692 1.00 19.49 N ATOM 0 H GLN A 2 -12.424 6.292 -0.778 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.852 5.678 -1.986 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.261 7.989 -0.574 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.522 8.029 -0.785 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.777 8.015 -3.226 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.515 7.848 -3.073 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.955 9.945 -4.576 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.108 11.462 -3.684 1.00 19.49 H new ATOM 37 N ILE A 3 -8.398 5.374 0.029 1.00 5.87 N ATOM 38 CA ILE A 3 -7.490 5.230 1.124 1.00 5.07 C ATOM 39 C ILE A 3 -6.413 6.218 0.830 1.00 4.01 C ATOM 40 O ILE A 3 -6.197 6.750 -0.257 1.00 4.61 O ATOM 41 CB ILE A 3 -6.874 3.863 1.159 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.111 3.476 -0.119 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.044 2.891 1.386 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.380 2.135 -0.064 1.00 10.83 C ATOM 0 H ILE A 3 -7.941 5.207 -0.867 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.996 5.380 2.078 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.121 3.832 1.947 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.816 3.453 -0.950 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.384 4.258 -0.339 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.666 1.869 1.423 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.537 3.129 2.328 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.759 2.985 0.568 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.875 1.957 -1.013 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.645 2.154 0.740 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.098 1.336 0.120 1.00 10.83 H new ATOM 56 N PHE A 4 -5.715 6.676 1.884 1.00 4.55 N ATOM 57 CA PHE A 4 -4.766 7.741 1.774 1.00 4.68 C ATOM 58 C PHE A 4 -3.467 7.087 2.095 1.00 5.30 C ATOM 59 O PHE A 4 -3.288 6.465 3.141 1.00 5.58 O ATOM 60 CB PHE A 4 -5.013 8.847 2.814 1.00 4.83 C ATOM 61 CG PHE A 4 -6.257 9.632 2.574 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.417 10.323 1.396 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.230 9.635 3.545 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.484 11.181 1.264 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.328 10.439 3.344 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.502 11.163 2.189 1.00 8.90 C ATOM 0 H PHE A 4 -5.810 6.301 2.828 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.815 8.212 0.792 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.065 8.396 3.805 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.161 9.527 2.817 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.715 10.194 0.586 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.136 9.028 4.433 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.523 11.870 0.433 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.077 10.503 4.119 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.418 11.706 2.011 1.00 8.90 H new ATOM 76 N VAL A 5 -2.544 6.925 1.130 1.00 4.44 N ATOM 77 CA VAL A 5 -1.276 6.312 1.376 1.00 3.87 C ATOM 78 C VAL A 5 -0.263 7.398 1.499 1.00 4.93 C ATOM 79 O VAL A 5 -0.243 8.365 0.739 1.00 6.84 O ATOM 80 CB VAL A 5 -0.928 5.266 0.360 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.538 4.805 0.429 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.908 4.080 0.394 1.00 9.13 C ATOM 0 H VAL A 5 -2.680 7.224 0.164 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.306 5.752 2.311 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.037 5.751 -0.610 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.718 4.048 -0.335 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.196 5.657 0.257 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.741 4.383 1.413 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.618 3.347 -0.358 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.885 3.617 1.380 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.917 4.435 0.184 1.00 9.13 H new ATOM 92 N LYS A 6 0.623 7.306 2.506 1.00 6.04 N ATOM 93 CA LYS A 6 1.568 8.313 2.882 1.00 6.12 C ATOM 94 C LYS A 6 2.980 7.883 2.683 1.00 6.57 C ATOM 95 O LYS A 6 3.423 6.829 3.136 1.00 5.76 O ATOM 96 CB LYS A 6 1.357 8.681 4.360 1.00 7.45 C ATOM 97 CG LYS A 6 0.182 9.611 4.667 1.00 11.12 C ATOM 98 CD LYS A 6 0.444 11.009 4.102 1.00 14.54 C ATOM 99 CE LYS A 6 1.489 11.755 4.934 1.00 18.84 C ATOM 100 NZ LYS A 6 1.119 13.187 4.894 1.00 20.55 N ATOM 0 H LYS A 6 0.683 6.476 3.095 1.00 6.04 H new ATOM 0 HA LYS A 6 1.396 9.174 2.236 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.220 7.759 4.926 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.269 9.149 4.729 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.733 9.204 4.237 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.029 9.670 5.745 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.786 10.929 3.070 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.486 11.578 4.086 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.502 11.387 5.960 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.489 11.602 4.528 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.804 13.738 5.449 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.124 13.519 3.909 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.168 13.311 5.296 1.00 20.55 H new ATOM 114 N THR A 7 3.780 8.621 1.893 1.00 7.41 N ATOM 115 CA THR A 7 5.159 8.302 1.691 1.00 7.48 C ATOM 116 C THR A 7 6.065 8.672 2.815 1.00 8.75 C ATOM 117 O THR A 7 5.698 9.375 3.755 1.00 8.58 O ATOM 118 CB THR A 7 5.565 8.871 0.364 1.00 9.61 C ATOM 119 OG1 THR A 7 5.392 10.281 0.365 1.00 11.78 O ATOM 120 CG2 THR A 7 4.717 8.198 -0.728 1.00 9.17 C ATOM 0 H THR A 7 3.466 9.450 1.388 1.00 7.41 H new ATOM 0 HA THR A 7 5.268 7.218 1.677 1.00 7.48 H new ATOM 0 HB THR A 7 6.619 8.675 0.168 1.00 9.61 H new ATOM 0 HG1 THR A 7 4.989 10.562 -0.483 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.996 8.597 -1.703 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.892 7.122 -0.713 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.661 8.397 -0.543 1.00 9.17 H new ATOM 128 N LEU A 8 7.337 8.246 2.714 1.00 9.84 N ATOM 129 CA LEU A 8 8.323 8.720 3.634 1.00 14.15 C ATOM 130 C LEU A 8 8.862 10.096 3.444 1.00 17.37 C ATOM 131 O LEU A 8 9.325 10.659 4.435 1.00 17.01 O ATOM 132 CB LEU A 8 9.602 7.869 3.550 1.00 16.63 C ATOM 133 CG LEU A 8 9.486 6.365 3.853 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.878 5.716 3.934 1.00 18.59 C ATOM 135 CD2 LEU A 8 8.819 6.072 5.208 1.00 19.31 C ATOM 0 H LEU A 8 7.677 7.589 2.012 1.00 9.84 H new ATOM 0 HA LEU A 8 7.756 8.676 4.564 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.011 7.977 2.545 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.332 8.294 4.239 1.00 16.63 H new ATOM 0 HG LEU A 8 8.882 5.962 3.040 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.772 4.653 4.149 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.395 5.844 2.983 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.455 6.191 4.727 1.00 18.59 H new ATOM 0 HD21 LEU A 8 8.767 4.994 5.362 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.405 6.525 6.008 1.00 19.31 H new ATOM 0 HD23 LEU A 8 7.812 6.489 5.215 1.00 19.31 H new ATOM 147 N THR A 9 8.800 10.643 2.217 1.00 18.33 N ATOM 148 CA THR A 9 9.017 12.028 1.933 1.00 19.24 C ATOM 149 C THR A 9 7.807 12.873 2.137 1.00 19.48 C ATOM 150 O THR A 9 8.018 14.044 2.448 1.00 23.14 O ATOM 151 CB THR A 9 9.505 12.306 0.542 1.00 18.97 C ATOM 152 OG1 THR A 9 8.641 11.694 -0.404 1.00 20.24 O ATOM 153 CG2 THR A 9 10.883 11.710 0.210 1.00 19.70 C ATOM 0 H THR A 9 8.589 10.094 1.384 1.00 18.33 H new ATOM 0 HA THR A 9 9.793 12.290 2.652 1.00 19.24 H new ATOM 0 HB THR A 9 9.546 13.394 0.493 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.964 11.880 -1.310 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.151 11.963 -0.816 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.630 12.118 0.892 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.846 10.626 0.319 1.00 19.70 H new ATOM 161 N GLY A 10 6.543 12.416 2.076 1.00 19.43 N ATOM 162 CA GLY A 10 5.446 13.135 2.646 1.00 18.74 C ATOM 163 C GLY A 10 4.420 13.553 1.651 1.00 17.62 C ATOM 164 O GLY A 10 4.057 14.722 1.778 1.00 19.74 O ATOM 0 H GLY A 10 6.279 11.539 1.627 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.971 12.513 3.405 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.828 14.021 3.154 1.00 18.74 H new ATOM 168 N LYS A 11 3.929 12.649 0.784 1.00 13.56 N ATOM 169 CA LYS A 11 2.882 12.872 -0.164 1.00 11.91 C ATOM 170 C LYS A 11 1.730 12.013 0.230 1.00 10.18 C ATOM 171 O LYS A 11 1.855 10.889 0.713 1.00 9.10 O ATOM 172 CB LYS A 11 3.277 12.503 -1.604 1.00 13.43 C ATOM 173 CG LYS A 11 2.443 13.050 -2.764 1.00 16.69 C ATOM 174 CD LYS A 11 2.831 12.457 -4.120 1.00 17.92 C ATOM 175 CE LYS A 11 1.709 12.348 -5.153 1.00 20.81 C ATOM 176 NZ LYS A 11 1.287 13.728 -5.481 1.00 21.93 N ATOM 0 H LYS A 11 4.290 11.696 0.744 1.00 13.56 H new ATOM 0 HA LYS A 11 2.646 13.936 -0.154 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.306 12.828 -1.757 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.272 11.416 -1.679 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.390 12.845 -2.573 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.555 14.134 -2.804 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.630 13.065 -4.544 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.242 11.461 -3.954 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.056 11.828 -6.046 1.00 20.81 H new ATOM 0 HE3 LYS A 11 0.873 11.773 -4.755 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 0.569 13.702 -6.233 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 0.885 14.179 -4.634 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 2.110 14.274 -5.807 1.00 21.93 H new ATOM 190 N THR A 12 0.472 12.482 0.138 1.00 9.63 N ATOM 191 CA THR A 12 -0.665 11.615 0.110 1.00 9.85 C ATOM 192 C THR A 12 -0.876 11.160 -1.293 1.00 11.66 C ATOM 193 O THR A 12 -1.126 11.941 -2.209 1.00 12.33 O ATOM 194 CB THR A 12 -1.922 12.167 0.714 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.707 12.692 2.015 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.986 11.059 0.795 1.00 9.63 C ATOM 0 H THR A 12 0.241 13.474 0.082 1.00 9.63 H new ATOM 0 HA THR A 12 -0.433 10.774 0.763 1.00 9.85 H new ATOM 0 HB THR A 12 -2.259 12.981 0.072 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.551 13.042 2.370 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.898 11.462 1.234 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.200 10.686 -0.207 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.615 10.243 1.415 1.00 9.63 H new ATOM 204 N ILE A 13 -0.765 9.846 -1.557 1.00 10.42 N ATOM 205 CA ILE A 13 -1.253 9.181 -2.725 1.00 11.84 C ATOM 206 C ILE A 13 -2.670 8.850 -2.406 1.00 10.55 C ATOM 207 O ILE A 13 -2.958 8.187 -1.410 1.00 11.92 O ATOM 208 CB ILE A 13 -0.531 7.890 -2.977 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.983 8.141 -2.878 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.818 7.513 -4.440 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.780 6.849 -3.051 1.00 16.46 C ATOM 0 H ILE A 13 -0.303 9.206 -0.911 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.122 9.811 -3.605 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.843 7.123 -2.268 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.284 8.860 -3.640 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.216 8.586 -1.911 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -0.315 6.576 -4.680 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.892 7.394 -4.581 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.451 8.301 -5.098 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.846 7.066 -2.975 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.497 6.140 -2.273 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.566 6.418 -4.029 1.00 16.46 H new ATOM 223 N THR A 14 -3.651 9.413 -3.134 1.00 9.39 N ATOM 224 CA THR A 14 -5.025 9.259 -2.773 1.00 9.63 C ATOM 225 C THR A 14 -5.668 8.309 -3.724 1.00 11.20 C ATOM 226 O THR A 14 -6.031 8.594 -4.864 1.00 11.63 O ATOM 227 CB THR A 14 -5.825 10.521 -2.902 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.276 11.481 -2.011 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.279 10.254 -2.479 1.00 11.66 C ATOM 0 H THR A 14 -3.493 9.974 -3.971 1.00 9.39 H new ATOM 0 HA THR A 14 -5.021 8.928 -1.735 1.00 9.63 H new ATOM 0 HB THR A 14 -5.798 10.875 -3.933 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.782 12.317 -2.079 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.860 11.172 -2.573 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.709 9.485 -3.121 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.300 9.916 -1.443 1.00 11.66 H new ATOM 237 N LEU A 15 -5.734 7.053 -3.245 1.00 8.29 N ATOM 238 CA LEU A 15 -5.960 5.903 -4.064 1.00 9.03 C ATOM 239 C LEU A 15 -7.357 5.398 -3.953 1.00 8.59 C ATOM 240 O LEU A 15 -7.842 5.097 -2.863 1.00 7.79 O ATOM 241 CB LEU A 15 -5.105 4.731 -3.553 1.00 11.08 C ATOM 242 CG LEU A 15 -3.638 4.916 -3.974 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.958 3.968 -2.971 1.00 15.27 C ATOM 244 CD2 LEU A 15 -3.387 4.536 -5.443 1.00 15.88 C ATOM 0 H LEU A 15 -5.626 6.831 -2.255 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.727 6.212 -5.083 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -5.173 4.669 -2.467 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.489 3.792 -3.951 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.274 5.943 -3.943 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.880 3.978 -3.134 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.174 4.298 -1.955 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -3.337 2.956 -3.112 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.335 4.687 -5.683 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.648 3.489 -5.598 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -4.000 5.162 -6.091 1.00 15.88 H new ATOM 256 N GLU A 16 -8.053 5.475 -5.101 1.00 11.04 N ATOM 257 CA GLU A 16 -9.341 4.877 -5.274 1.00 11.50 C ATOM 258 C GLU A 16 -9.283 3.390 -5.361 1.00 10.13 C ATOM 259 O GLU A 16 -8.583 2.906 -6.249 1.00 9.83 O ATOM 260 CB GLU A 16 -9.900 5.537 -6.545 1.00 17.22 C ATOM 261 CG GLU A 16 -11.412 5.352 -6.687 1.00 23.33 C ATOM 262 CD GLU A 16 -12.249 5.839 -5.513 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.255 7.067 -5.231 1.00 28.90 O ATOM 264 OE2 GLU A 16 -13.132 5.031 -5.120 1.00 28.86 O ATOM 0 H GLU A 16 -7.713 5.964 -5.929 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.989 5.046 -4.414 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.668 6.602 -6.529 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.402 5.115 -7.418 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.741 5.874 -7.585 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.617 4.293 -6.841 1.00 23.33 H new ATOM 271 N VAL A 17 -9.916 2.610 -4.467 1.00 8.99 N ATOM 272 CA VAL A 17 -9.940 1.181 -4.421 1.00 8.85 C ATOM 273 C VAL A 17 -11.331 0.718 -4.155 1.00 8.04 C ATOM 274 O VAL A 17 -12.278 1.447 -3.865 1.00 8.99 O ATOM 275 CB VAL A 17 -8.962 0.611 -3.437 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.541 1.174 -3.614 1.00 12.05 C ATOM 277 CG2 VAL A 17 -9.311 1.002 -1.991 1.00 10.54 C ATOM 0 H VAL A 17 -10.460 3.019 -3.708 1.00 8.99 H new ATOM 0 HA VAL A 17 -9.619 0.807 -5.393 1.00 8.85 H new ATOM 0 HB VAL A 17 -9.010 -0.463 -3.619 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.877 0.725 -2.875 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -7.179 0.941 -4.615 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.558 2.255 -3.477 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.578 0.569 -1.310 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -9.299 2.088 -1.895 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -10.304 0.627 -1.742 1.00 10.54 H new ATOM 287 N GLU A 18 -11.547 -0.609 -4.129 1.00 7.29 N ATOM 288 CA GLU A 18 -12.765 -1.255 -3.751 1.00 7.08 C ATOM 289 C GLU A 18 -12.358 -2.155 -2.635 1.00 6.45 C ATOM 290 O GLU A 18 -11.163 -2.369 -2.439 1.00 5.28 O ATOM 291 CB GLU A 18 -13.238 -1.989 -5.017 1.00 10.28 C ATOM 292 CG GLU A 18 -13.837 -1.084 -6.095 1.00 12.65 C ATOM 293 CD GLU A 18 -14.151 -1.778 -7.413 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.211 -1.904 -8.243 1.00 14.33 O ATOM 295 OE2 GLU A 18 -15.307 -2.170 -7.724 1.00 18.17 O ATOM 0 H GLU A 18 -10.820 -1.275 -4.390 1.00 7.29 H new ATOM 0 HA GLU A 18 -13.586 -0.623 -3.411 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.393 -2.530 -5.444 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.982 -2.733 -4.732 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -14.754 -0.640 -5.708 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.143 -0.266 -6.288 1.00 12.65 H new ATOM 302 N PRO A 19 -13.251 -2.722 -1.880 1.00 7.24 N ATOM 303 CA PRO A 19 -12.978 -3.608 -0.785 1.00 7.07 C ATOM 304 C PRO A 19 -12.593 -4.993 -1.177 1.00 6.65 C ATOM 305 O PRO A 19 -12.081 -5.738 -0.343 1.00 6.37 O ATOM 306 CB PRO A 19 -14.231 -3.619 0.087 1.00 7.61 C ATOM 307 CG PRO A 19 -15.365 -2.949 -0.704 1.00 8.16 C ATOM 308 CD PRO A 19 -14.583 -2.150 -1.759 1.00 7.49 C ATOM 0 HA PRO A 19 -12.101 -3.236 -0.255 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -14.503 -4.641 0.351 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -14.051 -3.086 1.020 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -16.034 -3.680 -1.158 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -15.978 -2.304 -0.074 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -15.098 -2.185 -2.719 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -14.520 -1.101 -1.469 1.00 7.49 H new ATOM 316 N SER A 20 -12.933 -5.356 -2.426 1.00 6.80 N ATOM 317 CA SER A 20 -12.516 -6.568 -3.061 1.00 6.28 C ATOM 318 C SER A 20 -11.146 -6.622 -3.644 1.00 8.45 C ATOM 319 O SER A 20 -10.615 -7.651 -4.060 1.00 7.26 O ATOM 320 CB SER A 20 -13.486 -7.026 -4.164 1.00 8.57 C ATOM 321 OG SER A 20 -13.244 -8.363 -4.576 1.00 11.13 O ATOM 0 H SER A 20 -13.526 -4.778 -3.021 1.00 6.80 H new ATOM 0 HA SER A 20 -12.513 -7.235 -2.199 1.00 6.28 H new ATOM 0 HB2 SER A 20 -14.510 -6.940 -3.802 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.395 -6.362 -5.023 1.00 8.57 H new ATOM 0 HG SER A 20 -12.279 -8.510 -4.658 1.00 11.13 H new ATOM 327 N ASP A 21 -10.495 -5.457 -3.809 1.00 7.50 N ATOM 328 CA ASP A 21 -9.285 -5.357 -4.564 1.00 7.70 C ATOM 329 C ASP A 21 -8.223 -5.993 -3.736 1.00 7.08 C ATOM 330 O ASP A 21 -8.268 -5.914 -2.509 1.00 8.11 O ATOM 331 CB ASP A 21 -8.846 -3.898 -4.772 1.00 11.00 C ATOM 332 CG ASP A 21 -9.520 -3.207 -5.949 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.638 -3.856 -7.022 1.00 14.36 O ATOM 334 OD2 ASP A 21 -9.850 -1.997 -5.823 1.00 18.03 O ATOM 0 H ASP A 21 -10.813 -4.572 -3.413 1.00 7.50 H new ATOM 0 HA ASP A 21 -9.441 -5.821 -5.538 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -9.057 -3.333 -3.864 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.766 -3.872 -4.919 1.00 11.00 H new ATOM 339 N THR A 22 -7.249 -6.676 -4.363 1.00 5.37 N ATOM 340 CA THR A 22 -6.195 -7.240 -3.578 1.00 6.01 C ATOM 341 C THR A 22 -5.138 -6.237 -3.266 1.00 8.01 C ATOM 342 O THR A 22 -4.994 -5.208 -3.924 1.00 8.11 O ATOM 343 CB THR A 22 -5.543 -8.455 -4.169 1.00 8.92 C ATOM 344 OG1 THR A 22 -5.209 -8.105 -5.503 1.00 10.22 O ATOM 345 CG2 THR A 22 -6.581 -9.585 -4.279 1.00 9.65 C ATOM 0 H THR A 22 -7.189 -6.834 -5.369 1.00 5.37 H new ATOM 0 HA THR A 22 -6.700 -7.560 -2.667 1.00 6.01 H new ATOM 0 HB THR A 22 -4.691 -8.769 -3.567 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.775 -8.866 -5.942 1.00 10.22 H new ATOM 0 HG21 THR A 22 -6.111 -10.470 -4.708 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.966 -9.823 -3.287 1.00 9.65 H new ATOM 0 HG23 THR A 22 -7.402 -9.264 -4.919 1.00 9.65 H new ATOM 353 N ILE A 23 -4.323 -6.394 -2.208 1.00 8.32 N ATOM 354 CA ILE A 23 -3.377 -5.432 -1.732 1.00 9.92 C ATOM 355 C ILE A 23 -2.172 -5.256 -2.591 1.00 10.01 C ATOM 356 O ILE A 23 -1.401 -4.299 -2.653 1.00 8.71 O ATOM 357 CB ILE A 23 -2.989 -5.885 -0.356 1.00 10.78 C ATOM 358 CG1 ILE A 23 -4.159 -5.920 0.642 1.00 11.38 C ATOM 359 CG2 ILE A 23 -1.957 -4.911 0.237 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.821 -6.629 1.953 1.00 12.30 C ATOM 0 H ILE A 23 -4.325 -7.247 -1.649 1.00 8.32 H new ATOM 0 HA ILE A 23 -3.844 -4.447 -1.742 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.603 -6.896 -0.485 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -4.471 -4.899 0.860 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -5.008 -6.420 0.176 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -1.677 -5.242 1.237 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -1.072 -4.887 -0.399 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -2.390 -3.912 0.294 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.692 -6.616 2.609 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.538 -7.661 1.746 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.992 -6.116 2.441 1.00 12.30 H new ATOM 372 N GLU A 24 -1.927 -6.304 -3.398 1.00 9.54 N ATOM 373 CA GLU A 24 -1.161 -6.278 -4.605 1.00 11.81 C ATOM 374 C GLU A 24 -1.669 -5.337 -5.642 1.00 11.14 C ATOM 375 O GLU A 24 -0.938 -4.578 -6.277 1.00 10.62 O ATOM 376 CB GLU A 24 -1.080 -7.677 -5.238 1.00 19.24 C ATOM 377 CG GLU A 24 0.050 -7.838 -6.257 1.00 27.76 C ATOM 378 CD GLU A 24 0.104 -9.191 -6.952 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.979 -9.597 -7.452 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.163 -9.874 -6.962 1.00 36.51 O ATOM 0 H GLU A 24 -2.290 -7.234 -3.191 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.179 -5.925 -4.291 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.949 -8.415 -4.447 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -2.029 -7.899 -5.726 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.052 -7.061 -7.015 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.001 -7.668 -5.752 1.00 27.76 H new ATOM 387 N ASN A 25 -2.950 -5.414 -6.043 1.00 9.43 N ATOM 388 CA ASN A 25 -3.547 -4.472 -6.938 1.00 10.96 C ATOM 389 C ASN A 25 -3.373 -3.035 -6.583 1.00 9.68 C ATOM 390 O ASN A 25 -3.168 -2.158 -7.421 1.00 9.33 O ATOM 391 CB ASN A 25 -5.044 -4.826 -6.926 1.00 16.78 C ATOM 392 CG ASN A 25 -5.738 -4.098 -8.068 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.216 -2.969 -7.964 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.863 -4.840 -9.200 1.00 24.70 N ATOM 0 H ASN A 25 -3.587 -6.150 -5.737 1.00 9.43 H new ATOM 0 HA ASN A 25 -3.058 -4.556 -7.909 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -5.176 -5.903 -7.031 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -5.490 -4.542 -5.973 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -6.368 -4.464 -10.003 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.452 -5.772 -9.247 1.00 24.70 H new ATOM 401 N VAL A 26 -3.330 -2.762 -5.267 1.00 6.52 N ATOM 402 CA VAL A 26 -3.041 -1.517 -4.625 1.00 5.53 C ATOM 403 C VAL A 26 -1.629 -1.138 -4.916 1.00 4.42 C ATOM 404 O VAL A 26 -1.409 -0.082 -5.507 1.00 3.40 O ATOM 405 CB VAL A 26 -3.373 -1.513 -3.163 1.00 3.86 C ATOM 406 CG1 VAL A 26 -3.350 -0.052 -2.685 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.777 -2.081 -2.891 1.00 8.12 C ATOM 0 H VAL A 26 -3.518 -3.494 -4.582 1.00 6.52 H new ATOM 0 HA VAL A 26 -3.696 -0.750 -5.039 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.647 -2.135 -2.639 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -3.588 -0.013 -1.622 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -2.358 0.369 -2.850 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -4.087 0.525 -3.243 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.977 -2.060 -1.820 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -5.521 -1.477 -3.411 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.829 -3.109 -3.249 1.00 8.12 H new ATOM 417 N LYS A 27 -0.624 -1.995 -4.663 1.00 2.64 N ATOM 418 CA LYS A 27 0.759 -1.723 -4.905 1.00 4.14 C ATOM 419 C LYS A 27 1.072 -1.560 -6.353 1.00 5.58 C ATOM 420 O LYS A 27 1.808 -0.636 -6.696 1.00 4.11 O ATOM 421 CB LYS A 27 1.651 -2.857 -4.373 1.00 3.97 C ATOM 422 CG LYS A 27 1.594 -2.999 -2.851 1.00 7.45 C ATOM 423 CD LYS A 27 1.976 -4.329 -2.198 1.00 9.02 C ATOM 424 CE LYS A 27 3.479 -4.611 -2.175 1.00 12.90 C ATOM 425 NZ LYS A 27 3.762 -5.810 -1.356 1.00 15.47 N ATOM 0 H LYS A 27 -0.784 -2.923 -4.271 1.00 2.64 H new ATOM 0 HA LYS A 27 0.961 -0.788 -4.383 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.346 -3.797 -4.832 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.682 -2.674 -4.677 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.242 -2.231 -2.428 1.00 7.45 H new ATOM 0 HG3 LYS A 27 0.576 -2.764 -2.540 1.00 7.45 H new ATOM 0 HD2 LYS A 27 1.601 -4.339 -1.175 1.00 9.02 H new ATOM 0 HD3 LYS A 27 1.475 -5.138 -2.729 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.844 -4.762 -3.191 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.012 -3.751 -1.769 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.673 -6.220 -1.644 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.805 -5.542 -0.352 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 3.007 -6.512 -1.495 1.00 15.47 H new ATOM 439 N ALA A 28 0.405 -2.318 -7.242 1.00 6.61 N ATOM 440 CA ALA A 28 0.450 -2.125 -8.659 1.00 7.74 C ATOM 441 C ALA A 28 -0.157 -0.829 -9.073 1.00 9.17 C ATOM 442 O ALA A 28 0.402 -0.102 -9.892 1.00 11.45 O ATOM 443 CB ALA A 28 -0.147 -3.364 -9.347 1.00 7.68 C ATOM 0 H ALA A 28 -0.190 -3.098 -6.962 1.00 6.61 H new ATOM 0 HA ALA A 28 1.485 -2.037 -8.991 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.118 -3.229 -10.428 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.434 -4.246 -9.076 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.180 -3.497 -9.025 1.00 7.68 H new ATOM 449 N LYS A 29 -1.298 -0.317 -8.578 1.00 8.96 N ATOM 450 CA LYS A 29 -1.909 0.968 -8.719 1.00 7.90 C ATOM 451 C LYS A 29 -1.006 2.104 -8.379 1.00 6.92 C ATOM 452 O LYS A 29 -0.895 3.085 -9.112 1.00 6.87 O ATOM 453 CB LYS A 29 -3.276 1.014 -8.015 1.00 10.28 C ATOM 454 CG LYS A 29 -4.134 2.213 -8.421 1.00 14.94 C ATOM 455 CD LYS A 29 -5.548 2.072 -7.854 1.00 19.69 C ATOM 456 CE LYS A 29 -6.486 1.310 -8.792 1.00 22.63 C ATOM 457 NZ LYS A 29 -7.897 1.255 -8.351 1.00 24.98 N ATOM 0 H LYS A 29 -1.880 -0.907 -7.983 1.00 8.96 H new ATOM 0 HA LYS A 29 -2.105 1.112 -9.781 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -3.821 0.096 -8.237 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -3.119 1.039 -6.937 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.679 3.134 -8.057 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -4.177 2.287 -9.508 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -5.501 1.555 -6.895 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -5.959 3.063 -7.662 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.446 1.774 -9.778 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.115 0.291 -8.904 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -8.198 0.263 -8.272 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -7.990 1.719 -7.425 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -8.497 1.744 -9.045 1.00 24.98 H new ATOM 471 N ILE A 30 -0.230 2.015 -7.284 1.00 4.57 N ATOM 472 CA ILE A 30 0.799 2.914 -6.861 1.00 5.58 C ATOM 473 C ILE A 30 1.952 2.957 -7.804 1.00 7.26 C ATOM 474 O ILE A 30 2.436 4.066 -8.024 1.00 9.46 O ATOM 475 CB ILE A 30 1.256 2.604 -5.466 1.00 5.36 C ATOM 476 CG1 ILE A 30 0.143 2.926 -4.454 1.00 2.94 C ATOM 477 CG2 ILE A 30 2.516 3.372 -5.032 1.00 2.78 C ATOM 478 CD1 ILE A 30 0.266 2.077 -3.190 1.00 2.00 C ATOM 0 H ILE A 30 -0.335 1.237 -6.633 1.00 4.57 H new ATOM 0 HA ILE A 30 0.356 3.910 -6.863 1.00 5.58 H new ATOM 0 HB ILE A 30 1.499 1.541 -5.478 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.187 3.982 -4.189 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -0.829 2.753 -4.915 1.00 2.94 H new ATOM 0 HG21 ILE A 30 2.780 3.091 -4.012 1.00 2.78 H new ATOM 0 HG22 ILE A 30 3.341 3.126 -5.701 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.322 4.444 -5.074 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.538 2.334 -2.500 1.00 2.00 H new ATOM 0 HD12 ILE A 30 0.196 1.021 -3.452 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.228 2.269 -2.715 1.00 2.00 H new ATOM 490 N GLN A 31 2.326 1.914 -8.567 1.00 7.06 N ATOM 491 CA GLN A 31 3.258 1.996 -9.648 1.00 8.67 C ATOM 492 C GLN A 31 2.614 2.689 -10.799 1.00 10.90 C ATOM 493 O GLN A 31 3.209 3.563 -11.427 1.00 9.63 O ATOM 494 CB GLN A 31 3.743 0.642 -10.193 1.00 9.12 C ATOM 495 CG GLN A 31 4.870 0.688 -11.226 1.00 10.76 C ATOM 496 CD GLN A 31 5.281 -0.735 -11.576 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.660 -1.692 -11.116 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.484 -0.766 -12.210 1.00 14.76 N ATOM 0 H GLN A 31 1.962 0.972 -8.424 1.00 7.06 H new ATOM 0 HA GLN A 31 4.117 2.524 -9.234 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.076 0.035 -9.351 1.00 9.12 H new ATOM 0 HB3 GLN A 31 2.891 0.129 -10.639 1.00 9.12 H new ATOM 0 HG2 GLN A 31 4.539 1.215 -12.121 1.00 10.76 H new ATOM 0 HG3 GLN A 31 5.722 1.239 -10.829 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.903 0.099 -12.551 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.967 -1.654 -12.345 1.00 14.76 H new ATOM 507 N ASP A 32 1.368 2.346 -11.173 1.00 10.93 N ATOM 508 CA ASP A 32 0.697 3.023 -12.239 1.00 14.01 C ATOM 509 C ASP A 32 0.504 4.486 -12.033 1.00 14.04 C ATOM 510 O ASP A 32 0.525 5.241 -13.005 1.00 13.39 O ATOM 511 CB ASP A 32 -0.605 2.279 -12.580 1.00 18.01 C ATOM 512 CG ASP A 32 -1.012 2.471 -14.034 1.00 24.33 C ATOM 513 OD1 ASP A 32 -0.147 2.432 -14.949 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.256 2.614 -14.177 1.00 25.17 O ATOM 0 H ASP A 32 0.826 1.600 -10.737 1.00 10.93 H new ATOM 0 HA ASP A 32 1.359 2.991 -13.104 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -0.478 1.216 -12.377 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -1.405 2.634 -11.930 1.00 18.01 H new ATOM 519 N LYS A 33 0.225 4.955 -10.804 1.00 14.22 N ATOM 520 CA LYS A 33 0.223 6.362 -10.546 1.00 14.00 C ATOM 521 C LYS A 33 1.512 7.025 -10.203 1.00 12.37 C ATOM 522 O LYS A 33 1.850 8.012 -10.855 1.00 12.17 O ATOM 523 CB LYS A 33 -0.694 6.579 -9.330 1.00 18.62 C ATOM 524 CG LYS A 33 -1.255 7.992 -9.157 1.00 24.00 C ATOM 525 CD LYS A 33 -1.815 8.652 -10.419 1.00 27.61 C ATOM 526 CE LYS A 33 -2.456 10.012 -10.137 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.448 10.350 -11.182 1.00 30.06 N ATOM 0 H LYS A 33 0.004 4.370 -9.998 1.00 14.22 H new ATOM 0 HA LYS A 33 -0.082 6.809 -11.492 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -1.530 5.884 -9.402 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -0.138 6.317 -8.430 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.046 7.958 -8.408 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.465 8.629 -8.758 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.012 8.777 -11.146 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.555 7.992 -10.871 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.940 9.996 -9.161 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.685 10.782 -10.098 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.871 11.276 -10.972 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.977 10.386 -12.109 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -4.193 9.625 -11.201 1.00 30.06 H new ATOM 541 N GLU A 34 2.309 6.543 -9.232 1.00 10.11 N ATOM 542 CA GLU A 34 3.543 7.148 -8.837 1.00 10.07 C ATOM 543 C GLU A 34 4.827 6.544 -9.294 1.00 9.32 C ATOM 544 O GLU A 34 5.887 7.149 -9.146 1.00 11.61 O ATOM 545 CB GLU A 34 3.539 7.156 -7.299 1.00 14.77 C ATOM 546 CG GLU A 34 2.629 8.238 -6.716 1.00 18.75 C ATOM 547 CD GLU A 34 3.010 9.653 -7.129 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.001 10.223 -6.599 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.196 10.178 -7.934 1.00 21.95 O ATOM 0 H GLU A 34 2.085 5.700 -8.702 1.00 10.11 H new ATOM 0 HA GLU A 34 3.548 8.120 -9.330 1.00 10.07 H new ATOM 0 HB2 GLU A 34 3.215 6.181 -6.936 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.556 7.309 -6.938 1.00 14.77 H new ATOM 0 HG2 GLU A 34 1.603 8.043 -7.028 1.00 18.75 H new ATOM 0 HG3 GLU A 34 2.650 8.169 -5.628 1.00 18.75 H new ATOM 556 N GLY A 35 4.864 5.360 -9.930 1.00 7.22 N ATOM 557 CA GLY A 35 6.023 4.630 -10.340 1.00 6.29 C ATOM 558 C GLY A 35 6.926 4.217 -9.229 1.00 6.93 C ATOM 559 O GLY A 35 8.138 4.364 -9.376 1.00 7.41 O ATOM 0 H GLY A 35 4.004 4.871 -10.179 1.00 7.22 H new ATOM 0 HA2 GLY A 35 5.702 3.739 -10.879 1.00 6.29 H new ATOM 0 HA3 GLY A 35 6.590 5.241 -11.043 1.00 6.29 H new ATOM 563 N ILE A 36 6.417 3.566 -8.167 1.00 5.86 N ATOM 564 CA ILE A 36 7.117 2.848 -7.148 1.00 6.07 C ATOM 565 C ILE A 36 6.823 1.395 -7.302 1.00 6.36 C ATOM 566 O ILE A 36 5.694 1.050 -6.958 1.00 6.18 O ATOM 567 CB ILE A 36 6.635 3.361 -5.823 1.00 7.47 C ATOM 568 CG1 ILE A 36 6.916 4.868 -5.698 1.00 8.52 C ATOM 569 CG2 ILE A 36 7.408 2.632 -4.711 1.00 7.36 C ATOM 570 CD1 ILE A 36 6.307 5.447 -4.422 1.00 9.49 C ATOM 0 H ILE A 36 5.410 3.542 -8.009 1.00 5.86 H new ATOM 0 HA ILE A 36 8.196 2.988 -7.220 1.00 6.07 H new ATOM 0 HB ILE A 36 5.562 3.186 -5.739 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.992 5.040 -5.699 1.00 8.52 H new ATOM 0 HG13 ILE A 36 6.509 5.388 -6.565 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.072 2.991 -3.738 1.00 7.36 H new ATOM 0 HG22 ILE A 36 7.226 1.560 -4.784 1.00 7.36 H new ATOM 0 HG23 ILE A 36 8.475 2.828 -4.821 1.00 7.36 H new ATOM 0 HD11 ILE A 36 6.525 6.514 -4.366 1.00 9.49 H new ATOM 0 HD12 ILE A 36 5.227 5.297 -4.434 1.00 9.49 H new ATOM 0 HD13 ILE A 36 6.734 4.944 -3.554 1.00 9.49 H new ATOM 582 N PRO A 37 7.700 0.560 -7.774 1.00 8.65 N ATOM 583 CA PRO A 37 7.305 -0.789 -8.059 1.00 9.18 C ATOM 584 C PRO A 37 7.054 -1.705 -6.911 1.00 9.85 C ATOM 585 O PRO A 37 7.617 -1.443 -5.850 1.00 8.51 O ATOM 586 CB PRO A 37 8.449 -1.357 -8.897 1.00 11.42 C ATOM 587 CG PRO A 37 9.050 -0.118 -9.579 1.00 9.27 C ATOM 588 CD PRO A 37 8.940 0.915 -8.448 1.00 8.33 C ATOM 0 HA PRO A 37 6.328 -0.736 -8.539 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.184 -1.869 -8.276 1.00 11.42 H new ATOM 0 HB3 PRO A 37 8.089 -2.081 -9.628 1.00 11.42 H new ATOM 0 HG2 PRO A 37 10.081 -0.279 -9.893 1.00 9.27 H new ATOM 0 HG3 PRO A 37 8.489 0.179 -10.465 1.00 9.27 H new ATOM 0 HD2 PRO A 37 9.793 0.860 -7.772 1.00 8.33 H new ATOM 0 HD3 PRO A 37 8.907 1.933 -8.837 1.00 8.33 H new ATOM 596 N PRO A 38 6.324 -2.781 -6.926 1.00 8.71 N ATOM 597 CA PRO A 38 5.880 -3.382 -5.703 1.00 9.08 C ATOM 598 C PRO A 38 6.862 -4.093 -4.837 1.00 9.28 C ATOM 599 O PRO A 38 6.519 -4.270 -3.670 1.00 6.50 O ATOM 600 CB PRO A 38 4.928 -4.471 -6.193 1.00 10.31 C ATOM 601 CG PRO A 38 4.365 -3.937 -7.520 1.00 10.81 C ATOM 602 CD PRO A 38 5.668 -3.356 -8.091 1.00 12.00 C ATOM 0 HA PRO A 38 5.515 -2.568 -5.077 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.450 -5.417 -6.338 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.132 -4.654 -5.471 1.00 10.31 H new ATOM 0 HG2 PRO A 38 3.939 -4.721 -8.147 1.00 10.81 H new ATOM 0 HG3 PRO A 38 3.590 -3.184 -7.380 1.00 10.81 H new ATOM 0 HD2 PRO A 38 6.281 -4.128 -8.557 1.00 12.00 H new ATOM 0 HD3 PRO A 38 5.471 -2.602 -8.853 1.00 12.00 H new ATOM 610 N ASP A 39 8.058 -4.445 -5.343 1.00 11.20 N ATOM 611 CA ASP A 39 9.210 -4.751 -4.553 1.00 14.96 C ATOM 612 C ASP A 39 9.852 -3.706 -3.707 1.00 13.99 C ATOM 613 O ASP A 39 10.569 -4.090 -2.784 1.00 13.75 O ATOM 614 CB ASP A 39 10.315 -5.319 -5.459 1.00 24.16 C ATOM 615 CG ASP A 39 11.413 -6.217 -4.909 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.984 -7.262 -4.351 1.00 35.55 O ATOM 617 OD2 ASP A 39 12.621 -5.979 -5.177 1.00 34.22 O ATOM 0 H ASP A 39 8.229 -4.519 -6.346 1.00 11.20 H new ATOM 0 HA ASP A 39 8.776 -5.440 -3.829 1.00 14.96 H new ATOM 0 HB2 ASP A 39 9.818 -5.877 -6.253 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.808 -4.468 -5.928 1.00 24.16 H new ATOM 622 N GLN A 40 9.743 -2.390 -3.963 1.00 11.60 N ATOM 623 CA GLN A 40 10.183 -1.368 -3.065 1.00 10.76 C ATOM 624 C GLN A 40 9.332 -1.211 -1.852 1.00 8.01 C ATOM 625 O GLN A 40 9.686 -0.604 -0.842 1.00 8.96 O ATOM 626 CB GLN A 40 10.341 -0.056 -3.852 1.00 11.14 C ATOM 627 CG GLN A 40 11.195 -0.086 -5.121 1.00 14.85 C ATOM 628 CD GLN A 40 11.474 1.383 -5.401 1.00 16.11 C ATOM 629 OE1 GLN A 40 10.867 1.993 -6.280 1.00 20.52 O ATOM 630 NE2 GLN A 40 12.511 1.840 -4.649 1.00 18.16 N ATOM 0 H GLN A 40 9.335 -2.025 -4.824 1.00 11.60 H new ATOM 0 HA GLN A 40 11.148 -1.671 -2.660 1.00 10.76 H new ATOM 0 HB2 GLN A 40 9.345 0.293 -4.126 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.766 0.689 -3.180 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.117 -0.647 -4.970 1.00 14.85 H new ATOM 0 HG3 GLN A 40 10.666 -0.558 -5.949 1.00 14.85 H new ATOM 0 HE21 GLN A 40 12.936 1.236 -3.945 1.00 18.16 H new ATOM 0 HE22 GLN A 40 12.864 2.787 -4.789 1.00 18.16 H new ATOM 639 N GLN A 41 8.030 -1.529 -1.962 1.00 6.52 N ATOM 640 CA GLN A 41 6.979 -1.082 -1.101 1.00 3.87 C ATOM 641 C GLN A 41 6.750 -1.910 0.116 1.00 4.79 C ATOM 642 O GLN A 41 6.554 -3.116 -0.025 1.00 6.34 O ATOM 643 CB GLN A 41 5.622 -0.928 -1.807 1.00 4.20 C ATOM 644 CG GLN A 41 5.566 -0.060 -3.066 1.00 3.20 C ATOM 645 CD GLN A 41 4.146 0.173 -3.562 1.00 4.89 C ATOM 646 OE1 GLN A 41 3.168 0.214 -2.817 1.00 5.21 O ATOM 647 NE2 GLN A 41 3.959 0.249 -4.907 1.00 7.13 N ATOM 0 H GLN A 41 7.689 -2.140 -2.704 1.00 6.52 H new ATOM 0 HA GLN A 41 7.361 -0.109 -0.792 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.267 -1.924 -2.071 1.00 4.20 H new ATOM 0 HB3 GLN A 41 4.914 -0.518 -1.086 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.036 0.902 -2.859 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.148 -0.536 -3.855 1.00 3.20 H new ATOM 0 HE21 GLN A 41 4.761 0.216 -5.536 1.00 7.13 H new ATOM 0 HE22 GLN A 41 3.017 0.339 -5.287 1.00 7.13 H new ATOM 656 N ARG A 42 6.620 -1.242 1.276 1.00 5.73 N ATOM 657 CA ARG A 42 6.144 -1.820 2.494 1.00 6.97 C ATOM 658 C ARG A 42 5.008 -0.997 2.996 1.00 7.15 C ATOM 659 O ARG A 42 5.138 0.114 3.510 1.00 7.33 O ATOM 660 CB ARG A 42 7.270 -1.936 3.535 1.00 13.23 C ATOM 661 CG ARG A 42 6.811 -2.471 4.893 1.00 21.27 C ATOM 662 CD ARG A 42 7.977 -2.935 5.766 1.00 26.14 C ATOM 663 NE ARG A 42 8.553 -4.166 5.154 1.00 32.26 N ATOM 664 CZ ARG A 42 9.440 -4.993 5.781 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.323 -4.565 6.730 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.694 -6.172 5.141 1.00 36.39 N ATOM 0 H ARG A 42 6.858 -0.254 1.369 1.00 5.73 H new ATOM 0 HA ARG A 42 5.795 -2.836 2.307 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.048 -2.591 3.142 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.722 -0.954 3.677 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.256 -1.693 5.417 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.124 -3.303 4.738 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.735 -2.154 5.836 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.635 -3.139 6.781 1.00 26.14 H new ATOM 0 HE ARG A 42 8.266 -4.406 4.205 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.342 -3.582 7.003 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.964 -5.228 7.166 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.232 -6.382 4.256 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.346 -6.843 5.547 1.00 36.39 H new ATOM 680 N LEU A 43 3.813 -1.602 2.872 1.00 4.65 N ATOM 681 CA LEU A 43 2.561 -1.027 3.256 1.00 3.51 C ATOM 682 C LEU A 43 2.320 -1.332 4.694 1.00 5.56 C ATOM 683 O LEU A 43 2.297 -2.501 5.075 1.00 4.19 O ATOM 684 CB LEU A 43 1.343 -1.419 2.403 1.00 3.74 C ATOM 685 CG LEU A 43 1.510 -0.783 1.012 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.486 -1.444 0.074 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.194 0.717 1.133 1.00 9.55 C ATOM 0 H LEU A 43 3.716 -2.540 2.484 1.00 4.65 H new ATOM 0 HA LEU A 43 2.659 0.044 3.079 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.270 -2.503 2.320 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.422 -1.072 2.872 1.00 3.74 H new ATOM 0 HG LEU A 43 2.521 -0.920 0.627 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.577 -1.015 -0.924 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.675 -2.516 0.027 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.521 -1.269 0.453 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.305 1.192 0.158 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.170 0.846 1.485 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.882 1.178 1.842 1.00 9.55 H new ATOM 699 N ILE A 44 2.282 -0.399 5.662 1.00 4.58 N ATOM 700 CA ILE A 44 1.962 -0.678 7.028 1.00 5.55 C ATOM 701 C ILE A 44 0.710 0.099 7.248 1.00 5.46 C ATOM 702 O ILE A 44 0.517 1.238 6.827 1.00 6.04 O ATOM 703 CB ILE A 44 3.045 -0.344 8.011 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.263 -1.246 7.751 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.659 -0.268 9.498 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.542 -0.822 8.471 1.00 13.90 C ATOM 0 H ILE A 44 2.481 0.586 5.487 1.00 4.58 H new ATOM 0 HA ILE A 44 1.842 -1.747 7.201 1.00 5.55 H new ATOM 0 HB ILE A 44 3.293 0.699 7.815 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.014 -2.264 8.052 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.457 -1.269 6.679 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.539 -0.018 10.090 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.898 0.500 9.638 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.265 -1.232 9.821 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.345 -1.518 8.227 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.823 0.182 8.153 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.372 -0.828 9.548 1.00 13.90 H new ATOM 718 N PHE A 45 -0.336 -0.458 7.885 1.00 6.75 N ATOM 719 CA PHE A 45 -1.494 0.201 8.406 1.00 4.70 C ATOM 720 C PHE A 45 -1.391 0.314 9.888 1.00 6.34 C ATOM 721 O PHE A 45 -1.362 1.383 10.495 1.00 5.45 O ATOM 722 CB PHE A 45 -2.740 -0.512 7.854 1.00 5.51 C ATOM 723 CG PHE A 45 -4.100 -0.065 8.269 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.398 1.259 8.048 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.941 -0.801 9.071 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.583 1.797 8.492 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.141 -0.283 9.496 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.471 1.017 9.194 1.00 6.84 C ATOM 0 H PHE A 45 -0.372 -1.464 8.050 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.578 1.236 8.075 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.695 -0.447 6.767 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.652 -1.567 8.115 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.693 1.884 7.520 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.655 -1.798 9.370 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.816 2.832 8.289 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.823 -0.896 10.066 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.422 1.423 9.506 1.00 6.84 H new ATOM 738 N ALA A 46 -1.365 -0.807 10.632 1.00 6.53 N ATOM 739 CA ALA A 46 -1.507 -0.824 12.055 1.00 7.15 C ATOM 740 C ALA A 46 -0.352 -1.551 12.652 1.00 9.00 C ATOM 741 O ALA A 46 0.532 -1.045 13.342 1.00 11.15 O ATOM 742 CB ALA A 46 -2.888 -1.462 12.278 1.00 8.99 C ATOM 0 H ALA A 46 -1.241 -1.735 10.228 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.481 0.149 12.545 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.093 -1.521 13.347 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.652 -0.853 11.795 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.899 -2.465 11.851 1.00 8.99 H new ATOM 748 N GLY A 47 -0.247 -2.868 12.400 1.00 9.35 N ATOM 749 CA GLY A 47 0.713 -3.759 12.973 1.00 11.68 C ATOM 750 C GLY A 47 1.147 -4.951 12.191 1.00 11.14 C ATOM 751 O GLY A 47 2.310 -5.252 11.927 1.00 13.93 O ATOM 0 H GLY A 47 -0.876 -3.341 11.752 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.604 -3.177 13.207 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.307 -4.116 13.920 1.00 11.68 H new ATOM 755 N LYS A 48 0.117 -5.708 11.774 1.00 10.47 N ATOM 756 CA LYS A 48 0.419 -6.985 11.206 1.00 8.82 C ATOM 757 C LYS A 48 1.040 -6.986 9.851 1.00 7.68 C ATOM 758 O LYS A 48 1.067 -5.995 9.122 1.00 6.47 O ATOM 759 CB LYS A 48 -0.802 -7.913 11.098 1.00 9.74 C ATOM 760 CG LYS A 48 -1.381 -8.493 12.391 1.00 14.14 C ATOM 761 CD LYS A 48 -0.407 -9.402 13.142 1.00 16.32 C ATOM 762 CE LYS A 48 -0.925 -9.980 14.460 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.144 -10.798 14.269 1.00 23.92 N ATOM 0 H LYS A 48 -0.870 -5.457 11.824 1.00 10.47 H new ATOM 0 HA LYS A 48 1.151 -7.344 11.930 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.596 -7.362 10.594 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.531 -8.747 10.450 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.679 -7.674 13.046 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.283 -9.057 12.155 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.131 -10.228 12.487 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.504 -8.839 13.346 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.147 -10.591 14.918 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.140 -9.166 15.153 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.441 -11.197 15.182 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.906 -10.202 13.888 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.943 -11.571 13.602 1.00 23.92 H new ATOM 777 N GLN A 49 1.561 -8.100 9.307 1.00 8.89 N ATOM 778 CA GLN A 49 2.186 -8.120 8.021 1.00 7.18 C ATOM 779 C GLN A 49 1.099 -8.381 7.035 1.00 8.23 C ATOM 780 O GLN A 49 0.221 -9.238 7.126 1.00 9.70 O ATOM 781 CB GLN A 49 3.245 -9.217 7.825 1.00 11.67 C ATOM 782 CG GLN A 49 4.377 -9.016 8.835 1.00 15.82 C ATOM 783 CD GLN A 49 5.585 -9.864 8.462 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.916 -9.763 7.147 1.00 23.23 O flip ATOM 785 NE2 GLN A 49 6.265 -10.467 9.290 1.00 20.67 N flip ATOM 0 H GLN A 49 1.548 -9.008 9.772 1.00 8.89 H new ATOM 0 HA GLN A 49 2.705 -7.169 7.901 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.795 -10.201 7.958 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.638 -9.181 6.809 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.660 -7.964 8.867 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.032 -9.284 9.834 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.965 -10.508 10.264 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.130 -10.926 9.003 1.00 20.67 H new ATOM 794 N LEU A 50 1.111 -7.490 6.028 1.00 6.51 N ATOM 795 CA LEU A 50 0.211 -7.605 4.922 1.00 7.41 C ATOM 796 C LEU A 50 0.715 -8.526 3.866 1.00 8.27 C ATOM 797 O LEU A 50 1.858 -8.318 3.461 1.00 8.34 O ATOM 798 CB LEU A 50 -0.066 -6.177 4.422 1.00 7.13 C ATOM 799 CG LEU A 50 -0.580 -5.192 5.486 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.783 -3.866 4.734 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.887 -5.508 6.234 1.00 8.14 C ATOM 0 H LEU A 50 1.743 -6.691 5.979 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.725 -8.069 5.232 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.853 -5.776 3.994 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.798 -6.228 3.616 1.00 7.13 H new ATOM 0 HG LEU A 50 0.163 -5.211 6.283 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.150 -3.108 5.426 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.166 -3.540 4.309 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.509 -4.009 3.934 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.101 -4.711 6.946 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.706 -5.585 5.519 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.781 -6.452 6.768 1.00 8.14 H new ATOM 813 N GLU A 51 -0.151 -9.492 3.510 1.00 9.43 N ATOM 814 CA GLU A 51 -0.065 -10.340 2.362 1.00 11.90 C ATOM 815 C GLU A 51 -0.481 -9.630 1.120 1.00 11.49 C ATOM 816 O GLU A 51 -1.041 -8.536 1.068 1.00 9.88 O ATOM 817 CB GLU A 51 -0.915 -11.551 2.783 1.00 16.56 C ATOM 818 CG GLU A 51 -0.830 -12.709 1.787 1.00 26.06 C ATOM 819 CD GLU A 51 0.568 -13.127 1.356 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.112 -12.458 0.437 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.189 -14.055 1.940 1.00 32.13 O ATOM 0 H GLU A 51 -0.978 -9.695 4.072 1.00 9.43 H new ATOM 0 HA GLU A 51 0.941 -10.658 2.088 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.587 -11.896 3.764 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -1.955 -11.241 2.885 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -1.326 -13.575 2.226 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -1.395 -12.436 0.896 1.00 26.06 H new ATOM 828 N ASP A 52 -0.150 -10.169 -0.067 1.00 12.71 N ATOM 829 CA ASP A 52 -0.327 -9.564 -1.350 1.00 16.56 C ATOM 830 C ASP A 52 -1.659 -9.958 -1.891 1.00 15.83 C ATOM 831 O ASP A 52 -2.517 -9.116 -2.151 1.00 17.21 O ATOM 832 CB ASP A 52 0.850 -9.926 -2.272 1.00 21.05 C ATOM 833 CG ASP A 52 2.156 -9.309 -1.793 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.159 -8.208 -1.180 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.211 -9.906 -2.137 1.00 28.37 O ATOM 0 H ASP A 52 0.272 -11.095 -0.133 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.322 -8.477 -1.274 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.956 -11.010 -2.317 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.637 -9.584 -3.285 1.00 21.05 H new ATOM 840 N GLY A 53 -1.893 -11.257 -2.148 1.00 15.00 N ATOM 841 CA GLY A 53 -3.045 -11.912 -2.688 1.00 11.77 C ATOM 842 C GLY A 53 -4.264 -11.765 -1.844 1.00 11.10 C ATOM 843 O GLY A 53 -5.336 -12.099 -2.345 1.00 11.25 O ATOM 0 H GLY A 53 -1.165 -11.942 -1.946 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -3.250 -11.510 -3.680 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.825 -12.972 -2.813 1.00 11.77 H new ATOM 847 N ARG A 54 -4.253 -11.181 -0.633 1.00 8.53 N ATOM 848 CA ARG A 54 -5.471 -10.968 0.084 1.00 9.05 C ATOM 849 C ARG A 54 -6.040 -9.626 -0.228 1.00 8.96 C ATOM 850 O ARG A 54 -5.373 -8.801 -0.849 1.00 11.60 O ATOM 851 CB ARG A 54 -5.211 -11.080 1.596 1.00 7.97 C ATOM 852 CG ARG A 54 -4.766 -12.511 1.907 1.00 9.62 C ATOM 853 CD ARG A 54 -4.664 -12.655 3.426 1.00 12.20 C ATOM 854 NE ARG A 54 -3.995 -13.975 3.607 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.113 -14.273 4.605 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.979 -13.559 5.761 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.327 -15.373 4.419 1.00 25.50 N ATOM 0 H ARG A 54 -3.411 -10.860 -0.155 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.189 -11.729 -0.221 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.443 -10.369 1.902 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.114 -10.834 2.155 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.481 -13.228 1.503 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.804 -12.721 1.439 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.082 -11.846 3.868 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.646 -12.635 3.898 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.213 -14.710 2.935 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.563 -12.739 5.924 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -2.295 -13.846 6.461 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.417 -15.926 3.566 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.650 -15.643 5.133 1.00 25.50 H new ATOM 871 N THR A 55 -7.295 -9.351 0.170 1.00 9.05 N ATOM 872 CA THR A 55 -8.111 -8.183 0.040 1.00 9.03 C ATOM 873 C THR A 55 -8.019 -7.320 1.251 1.00 8.15 C ATOM 874 O THR A 55 -7.525 -7.678 2.320 1.00 5.91 O ATOM 875 CB THR A 55 -9.520 -8.428 -0.414 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.351 -9.064 0.545 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.596 -9.464 -1.548 1.00 11.71 C ATOM 0 H THR A 55 -7.817 -10.074 0.665 1.00 9.05 H new ATOM 0 HA THR A 55 -7.685 -7.627 -0.795 1.00 9.03 H new ATOM 0 HB THR A 55 -9.841 -7.418 -0.668 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.845 -9.768 1.001 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.636 -9.607 -1.842 1.00 11.71 H new ATOM 0 HG22 THR A 55 -9.023 -9.109 -2.404 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.183 -10.412 -1.203 1.00 11.71 H new ATOM 885 N LEU A 56 -8.557 -6.088 1.224 1.00 6.91 N ATOM 886 CA LEU A 56 -8.709 -5.154 2.296 1.00 8.29 C ATOM 887 C LEU A 56 -9.740 -5.500 3.315 1.00 8.05 C ATOM 888 O LEU A 56 -9.669 -5.231 4.513 1.00 10.17 O ATOM 889 CB LEU A 56 -8.976 -3.776 1.667 1.00 6.60 C ATOM 890 CG LEU A 56 -7.881 -3.310 0.693 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.453 -2.286 -0.302 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.562 -2.846 1.335 1.00 9.85 C ATOM 0 H LEU A 56 -8.925 -5.707 0.352 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.785 -5.167 2.874 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.929 -3.808 1.138 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.078 -3.038 2.463 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.576 -4.204 0.150 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.667 -1.965 -0.985 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -9.263 -2.744 -0.870 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.835 -1.423 0.243 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.865 -2.541 0.554 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.757 -2.003 1.998 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.128 -3.665 1.908 1.00 9.85 H new ATOM 904 N SER A 57 -10.702 -6.284 2.795 1.00 8.92 N ATOM 905 CA SER A 57 -11.765 -6.925 3.504 1.00 9.00 C ATOM 906 C SER A 57 -11.237 -7.931 4.469 1.00 9.44 C ATOM 907 O SER A 57 -11.597 -7.831 5.641 1.00 10.91 O ATOM 908 CB SER A 57 -12.819 -7.606 2.615 1.00 10.32 C ATOM 909 OG SER A 57 -13.430 -6.605 1.815 1.00 13.59 O ATOM 0 H SER A 57 -10.737 -6.485 1.796 1.00 8.92 H new ATOM 0 HA SER A 57 -12.268 -6.109 4.024 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.354 -8.365 1.986 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.565 -8.112 3.228 1.00 10.32 H new ATOM 0 HG SER A 57 -12.947 -6.525 0.966 1.00 13.59 H new ATOM 915 N ASP A 58 -10.340 -8.825 4.016 1.00 9.11 N ATOM 916 CA ASP A 58 -9.613 -9.683 4.899 1.00 7.91 C ATOM 917 C ASP A 58 -9.021 -9.077 6.124 1.00 9.12 C ATOM 918 O ASP A 58 -9.149 -9.667 7.195 1.00 8.61 O ATOM 919 CB ASP A 58 -8.535 -10.416 4.083 1.00 8.41 C ATOM 920 CG ASP A 58 -9.248 -11.202 2.992 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.101 -12.073 3.311 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.936 -11.054 1.780 1.00 10.05 O ATOM 0 H ASP A 58 -10.117 -8.954 3.029 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.363 -10.357 5.313 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.833 -9.705 3.648 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.957 -11.084 4.722 1.00 8.41 H new ATOM 927 N TYR A 59 -8.384 -7.901 5.975 1.00 7.97 N ATOM 928 CA TYR A 59 -7.770 -7.167 7.038 1.00 8.45 C ATOM 929 C TYR A 59 -8.676 -6.215 7.740 1.00 10.98 C ATOM 930 O TYR A 59 -8.182 -5.556 8.654 1.00 12.95 O ATOM 931 CB TYR A 59 -6.509 -6.433 6.554 1.00 7.94 C ATOM 932 CG TYR A 59 -5.409 -7.401 6.279 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.518 -7.725 7.275 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.114 -7.929 5.045 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.471 -8.598 7.094 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.152 -8.895 4.869 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.283 -9.222 5.883 1.00 6.76 C ATOM 938 OH TYR A 59 -2.331 -10.215 5.571 1.00 7.63 O ATOM 0 H TYR A 59 -8.293 -7.440 5.069 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.498 -7.924 7.774 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.736 -5.867 5.651 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.188 -5.715 7.308 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.647 -7.272 8.247 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.657 -7.572 4.183 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.791 -8.795 7.909 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.078 -9.405 3.920 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.486 -10.013 6.025 1.00 7.63 H new ATOM 948 N ASN A 60 -9.971 -6.186 7.375 1.00 12.38 N ATOM 949 CA ASN A 60 -10.806 -5.197 7.982 1.00 13.94 C ATOM 950 C ASN A 60 -10.447 -3.755 7.868 1.00 14.16 C ATOM 951 O ASN A 60 -10.329 -3.047 8.867 1.00 14.26 O ATOM 952 CB ASN A 60 -11.260 -5.562 9.406 1.00 19.23 C ATOM 953 CG ASN A 60 -11.851 -6.955 9.564 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.071 -7.095 9.637 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.030 -8.031 9.697 1.00 24.09 N ATOM 0 H ASN A 60 -10.420 -6.807 6.701 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.655 -5.259 7.302 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.406 -5.470 10.077 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.001 -4.832 9.731 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.425 -8.957 9.858 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.019 -7.912 9.636 1.00 24.09 H new ATOM 962 N ILE A 61 -10.239 -3.343 6.605 1.00 11.08 N ATOM 963 CA ILE A 61 -9.840 -2.016 6.251 1.00 11.78 C ATOM 964 C ILE A 61 -10.941 -1.393 5.464 1.00 13.74 C ATOM 965 O ILE A 61 -11.229 -1.881 4.372 1.00 14.60 O ATOM 966 CB ILE A 61 -8.507 -1.967 5.564 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.411 -2.988 5.912 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.996 -0.524 5.710 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.084 -2.903 5.159 1.00 11.42 C ATOM 0 H ILE A 61 -10.353 -3.958 5.799 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.681 -1.431 7.157 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.712 -2.284 4.542 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.197 -2.897 6.977 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.821 -3.985 5.753 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -7.024 -0.431 5.225 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.702 0.161 5.241 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.899 -0.278 6.767 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.414 -3.686 5.513 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.262 -3.033 4.092 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.628 -1.929 5.334 1.00 11.42 H new ATOM 981 N GLN A 62 -11.538 -0.244 5.828 1.00 13.97 N ATOM 982 CA GLN A 62 -12.528 0.404 5.025 1.00 15.52 C ATOM 983 C GLN A 62 -12.069 1.704 4.461 1.00 13.94 C ATOM 984 O GLN A 62 -10.857 1.877 4.340 1.00 12.15 O ATOM 985 CB GLN A 62 -13.729 0.624 5.960 1.00 19.53 C ATOM 986 CG GLN A 62 -14.000 -0.352 7.107 1.00 26.38 C ATOM 987 CD GLN A 62 -15.404 -0.149 7.659 1.00 30.61 C ATOM 988 OE1 GLN A 62 -16.046 0.900 7.657 1.00 33.23 O ATOM 989 NE2 GLN A 62 -16.021 -1.223 8.222 1.00 32.71 N ATOM 0 H GLN A 62 -11.329 0.245 6.698 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.768 -0.212 4.159 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.620 1.616 6.399 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.623 0.647 5.337 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.886 -1.377 6.755 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.266 -0.204 7.899 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.545 -2.124 8.257 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.960 -1.127 8.609 1.00 32.71 H new ATOM 998 N LYS A 63 -12.929 2.705 4.202 1.00 11.73 N ATOM 999 CA LYS A 63 -12.530 3.904 3.532 1.00 11.97 C ATOM 1000 C LYS A 63 -11.777 4.822 4.432 1.00 10.41 C ATOM 1001 O LYS A 63 -11.822 4.650 5.649 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.772 4.641 3.005 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.687 5.334 4.017 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.812 6.006 3.227 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.655 6.808 4.221 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.840 7.753 5.016 1.00 25.97 N ATOM 0 H LYS A 63 -13.915 2.682 4.461 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.875 3.614 2.710 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.435 5.393 2.292 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.374 3.922 2.449 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.093 4.612 4.725 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.131 6.071 4.596 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.402 6.659 2.457 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.424 5.260 2.720 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.423 7.361 3.680 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.170 6.122 4.893 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.442 8.529 5.358 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.424 7.254 5.828 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -15.080 8.141 4.422 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.107 5.830 3.847 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.374 6.944 4.364 1.00 10.94 C ATOM 1022 C GLU A 64 -9.287 6.457 5.260 1.00 9.74 C ATOM 1023 O GLU A 64 -8.841 7.171 6.156 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.208 8.070 4.997 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.183 8.743 4.029 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.219 9.644 4.685 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.893 10.288 5.718 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.387 9.643 4.212 1.00 31.72 O ATOM 0 H GLU A 64 -11.080 5.860 2.828 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.940 7.441 3.496 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.770 7.663 5.838 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.533 8.825 5.400 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.611 9.333 3.313 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.702 7.970 3.463 1.00 24.16 H new ATOM 1035 N SER A 65 -8.795 5.218 5.081 1.00 6.85 N ATOM 1036 CA SER A 65 -7.811 4.512 5.840 1.00 6.90 C ATOM 1037 C SER A 65 -6.473 5.059 5.480 1.00 4.72 C ATOM 1038 O SER A 65 -6.137 5.067 4.297 1.00 3.91 O ATOM 1039 CB SER A 65 -7.832 2.974 5.855 1.00 7.28 C ATOM 1040 OG SER A 65 -9.078 2.544 6.382 1.00 10.56 O ATOM 0 H SER A 65 -9.132 4.645 4.308 1.00 6.85 H new ATOM 0 HA SER A 65 -8.078 4.701 6.880 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.693 2.584 4.847 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.012 2.590 6.462 1.00 7.28 H new ATOM 0 HG SER A 65 -9.684 2.318 5.646 1.00 10.56 H new ATOM 1046 N THR A 66 -5.739 5.564 6.488 1.00 4.48 N ATOM 1047 CA THR A 66 -4.408 6.031 6.254 1.00 3.80 C ATOM 1048 C THR A 66 -3.409 4.945 6.460 1.00 4.60 C ATOM 1049 O THR A 66 -3.290 4.348 7.529 1.00 5.33 O ATOM 1050 CB THR A 66 -3.985 7.278 6.972 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.926 8.298 6.672 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.593 7.763 6.533 1.00 3.40 C ATOM 0 H THR A 66 -6.061 5.648 7.452 1.00 4.48 H new ATOM 0 HA THR A 66 -4.437 6.332 5.207 1.00 3.80 H new ATOM 0 HB THR A 66 -3.942 7.057 8.038 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.671 9.124 7.133 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.333 8.668 7.082 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.855 6.988 6.741 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.603 7.977 5.464 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.701 4.588 5.374 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.672 3.597 5.302 1.00 3.85 C ATOM 1062 C LEU A 67 -0.371 4.311 5.162 1.00 3.80 C ATOM 1063 O LEU A 67 -0.380 5.482 4.787 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.884 2.653 4.106 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.077 1.681 4.104 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.455 2.362 4.145 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.913 0.580 3.043 1.00 8.12 C ATOM 0 H LEU A 67 -2.863 5.031 4.470 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.689 2.984 6.203 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.967 3.272 3.213 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.978 2.057 3.997 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.056 1.162 5.062 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.237 1.602 4.141 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.537 2.962 5.051 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.569 3.005 3.272 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.775 -0.086 3.073 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.840 1.035 2.055 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.007 0.010 3.248 1.00 8.12 H new ATOM 1079 N HIS A 68 0.748 3.652 5.514 1.00 2.94 N ATOM 1080 CA HIS A 68 2.049 4.193 5.272 1.00 4.17 C ATOM 1081 C HIS A 68 2.791 3.350 4.292 1.00 5.32 C ATOM 1082 O HIS A 68 2.816 2.121 4.337 1.00 7.70 O ATOM 1083 CB HIS A 68 2.756 4.477 6.608 1.00 5.57 C ATOM 1084 CG HIS A 68 4.054 5.226 6.549 1.00 9.95 C ATOM 1085 ND1 HIS A 68 4.465 6.183 5.644 1.00 13.74 N ATOM 1086 CD2 HIS A 68 4.988 5.276 7.536 1.00 12.79 C ATOM 1087 CE1 HIS A 68 5.607 6.740 6.129 1.00 14.75 C ATOM 1088 NE2 HIS A 68 6.002 6.167 7.251 1.00 16.30 N ATOM 0 H HIS A 68 0.751 2.739 5.969 1.00 2.94 H new ATOM 0 HA HIS A 68 1.988 5.166 4.784 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.070 5.039 7.241 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.938 3.523 7.104 1.00 5.57 H new ATOM 0 HD1 HIS A 68 3.998 6.428 4.771 1.00 13.74 H new ATOM 0 HD2 HIS A 68 4.941 4.686 8.439 1.00 12.79 H new ATOM 0 HE1 HIS A 68 6.130 7.556 5.652 1.00 14.75 H new ATOM 1096 N LEU A 69 3.400 3.969 3.265 1.00 5.29 N ATOM 1097 CA LEU A 69 4.287 3.397 2.300 1.00 3.97 C ATOM 1098 C LEU A 69 5.643 3.830 2.741 1.00 5.07 C ATOM 1099 O LEU A 69 6.182 4.920 2.556 1.00 4.34 O ATOM 1100 CB LEU A 69 4.000 3.990 0.910 1.00 6.08 C ATOM 1101 CG LEU A 69 5.120 3.936 -0.143 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.897 2.610 -0.205 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.449 4.193 -1.503 1.00 6.87 C ATOM 0 H LEU A 69 3.256 4.965 3.096 1.00 5.29 H new ATOM 0 HA LEU A 69 4.183 2.314 2.233 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.131 3.475 0.500 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.718 5.034 1.044 1.00 6.08 H new ATOM 0 HG LEU A 69 5.866 4.683 0.129 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.663 2.673 -0.978 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.368 2.419 0.759 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.211 1.797 -0.441 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.202 4.166 -2.291 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.700 3.424 -1.690 1.00 6.87 H new ATOM 0 HD23 LEU A 69 3.969 5.172 -1.493 1.00 6.87 H new ATOM 1115 N VAL A 70 6.293 2.813 3.334 1.00 4.29 N ATOM 1116 CA VAL A 70 7.624 2.592 3.807 1.00 6.26 C ATOM 1117 C VAL A 70 8.427 1.899 2.760 1.00 9.22 C ATOM 1118 O VAL A 70 7.991 0.906 2.180 1.00 9.36 O ATOM 1119 CB VAL A 70 7.622 1.771 5.063 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.034 1.876 5.662 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.718 2.536 6.044 1.00 8.54 C ATOM 0 H VAL A 70 5.754 1.966 3.515 1.00 4.29 H new ATOM 0 HA VAL A 70 8.069 3.562 4.029 1.00 6.26 H new ATOM 0 HB VAL A 70 7.315 0.740 4.887 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.083 1.293 6.582 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.762 1.490 4.948 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.259 2.920 5.882 1.00 9.76 H new ATOM 0 HG21 VAL A 70 6.667 1.995 6.989 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.128 3.531 6.217 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.717 2.625 5.622 1.00 8.54 H new ATOM 1131 N LEU A 71 9.654 2.397 2.526 1.00 12.71 N ATOM 1132 CA LEU A 71 10.530 2.007 1.464 1.00 16.06 C ATOM 1133 C LEU A 71 11.587 1.018 1.816 1.00 18.09 C ATOM 1134 O LEU A 71 12.489 1.301 2.603 1.00 19.26 O ATOM 1135 CB LEU A 71 11.216 3.281 0.942 1.00 17.10 C ATOM 1136 CG LEU A 71 10.491 3.977 -0.222 1.00 19.37 C ATOM 1137 CD1 LEU A 71 9.997 3.036 -1.333 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.404 4.879 0.389 1.00 17.51 C ATOM 0 H LEU A 71 10.061 3.121 3.119 1.00 12.71 H new ATOM 0 HA LEU A 71 9.904 1.503 0.727 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.312 3.988 1.766 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.226 3.027 0.621 1.00 17.10 H new ATOM 0 HG LEU A 71 11.203 4.590 -0.774 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.499 3.618 -2.108 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.846 2.506 -1.765 1.00 19.57 H new ATOM 0 HD13 LEU A 71 9.295 2.315 -0.914 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.866 5.392 -0.408 1.00 17.51 H new ATOM 0 HD22 LEU A 71 8.707 4.270 0.964 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.869 5.615 1.045 1.00 17.51 H new