USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 136:sc= 0.395 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.516 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 175:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0929 USER MOD Set 3.2: 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+ -174:sc= 0.657 (180deg=0.635) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.19) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.0213 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00693 USER MOD Single : A 25 ASN : amide:sc= 1.22 K(o=1.2,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 1.18 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= 0.674 (180deg=0.301) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ -119:sc=0.000532 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00685 X(o=-0.0069,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= 0.585 K(o=0.58,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.72) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.796 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 0.969 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.196 -7.265 -4.860 1.00 9.67 N ATOM 2 CA MET A 1 11.838 -7.103 -3.445 1.00 10.38 C ATOM 3 C MET A 1 10.430 -7.559 -3.168 1.00 9.62 C ATOM 4 O MET A 1 9.575 -7.531 -4.060 1.00 9.62 O ATOM 5 CB MET A 1 12.044 -5.605 -3.061 1.00 13.77 C ATOM 6 CG MET A 1 11.920 -5.267 -1.575 1.00 16.29 C ATOM 7 SD MET A 1 12.488 -3.605 -1.169 1.00 17.17 S ATOM 8 CE MET A 1 11.025 -2.623 -1.500 1.00 16.11 C ATOM 0 H1 MET A 1 13.202 -7.037 -4.992 1.00 9.67 H new ATOM 0 H2 MET A 1 12.023 -8.248 -5.152 1.00 9.67 H new ATOM 0 H3 MET A 1 11.617 -6.625 -5.440 1.00 9.67 H new ATOM 0 HA MET A 1 12.482 -7.733 -2.831 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.033 -5.297 -3.401 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.317 -5.007 -3.610 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.878 -5.371 -1.272 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.494 -5.991 -0.996 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.236 -1.574 -1.291 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.741 -2.734 -2.547 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.207 -2.963 -0.864 1.00 16.11 H new ATOM 20 N GLN A 2 10.151 -8.106 -1.961 1.00 9.27 N ATOM 21 CA GLN A 2 8.772 -8.488 -1.624 1.00 9.07 C ATOM 22 C GLN A 2 8.388 -8.080 -0.224 1.00 8.72 C ATOM 23 O GLN A 2 9.193 -8.216 0.706 1.00 8.22 O ATOM 24 CB GLN A 2 8.696 -10.024 -1.608 1.00 14.46 C ATOM 25 CG GLN A 2 7.267 -10.661 -1.705 1.00 17.01 C ATOM 26 CD GLN A 2 7.399 -12.234 -1.815 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.986 -12.788 -2.849 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.889 -12.882 -0.753 1.00 19.49 N ATOM 0 H GLN A 2 10.841 -8.285 -1.231 1.00 9.27 H new ATOM 0 HA GLN A 2 8.120 -8.007 -2.353 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.294 -10.403 -2.437 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.164 -10.378 -0.690 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.678 -10.395 -0.827 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.740 -10.268 -2.574 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.209 -12.358 0.061 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.942 -13.901 -0.757 1.00 19.49 H new ATOM 37 N ILE A 3 7.158 -7.546 -0.125 1.00 5.87 N ATOM 38 CA ILE A 3 6.640 -6.865 1.035 1.00 5.07 C ATOM 39 C ILE A 3 5.196 -7.379 1.189 1.00 4.01 C ATOM 40 O ILE A 3 4.622 -7.932 0.255 1.00 4.61 O ATOM 41 CB ILE A 3 6.566 -5.342 0.913 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.549 -4.684 -0.104 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.009 -4.870 0.749 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.617 -3.145 -0.011 1.00 10.83 C ATOM 0 H ILE A 3 6.485 -7.588 -0.890 1.00 5.87 H new ATOM 0 HA ILE A 3 7.308 -7.067 1.872 1.00 5.07 H new ATOM 0 HB ILE A 3 6.091 -4.975 1.823 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.782 -5.004 -1.120 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.536 -5.024 0.113 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.028 -3.784 0.656 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.591 -5.170 1.620 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.439 -5.319 -0.146 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.912 -2.706 -0.717 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.361 -2.830 1.001 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.626 -2.810 -0.251 1.00 10.83 H new ATOM 56 N PHE A 4 4.636 -7.238 2.440 1.00 4.55 N ATOM 57 CA PHE A 4 3.371 -7.819 2.800 1.00 4.68 C ATOM 58 C PHE A 4 2.413 -6.795 3.277 1.00 5.30 C ATOM 59 O PHE A 4 2.746 -5.921 4.040 1.00 5.58 O ATOM 60 CB PHE A 4 3.474 -8.798 4.000 1.00 4.83 C ATOM 61 CG PHE A 4 4.457 -9.971 3.671 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.932 -11.111 2.963 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.780 -9.912 4.067 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.857 -12.120 2.576 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.611 -10.954 3.778 1.00 10.61 C ATOM 66 CZ PHE A 4 6.194 -12.026 2.936 1.00 8.90 C ATOM 0 H PHE A 4 5.078 -6.714 3.195 1.00 4.55 H new ATOM 0 HA PHE A 4 3.048 -8.321 1.888 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.821 -8.263 4.884 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.488 -9.198 4.236 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.880 -11.196 2.736 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.152 -9.049 4.600 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.516 -12.966 1.997 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.607 -10.967 4.196 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.909 -12.755 2.583 1.00 8.90 H new ATOM 76 N VAL A 5 1.151 -6.870 2.820 1.00 4.44 N ATOM 77 CA VAL A 5 0.141 -5.846 2.994 1.00 3.87 C ATOM 78 C VAL A 5 -0.922 -6.472 3.945 1.00 4.93 C ATOM 79 O VAL A 5 -1.484 -7.525 3.544 1.00 6.84 O ATOM 80 CB VAL A 5 -0.520 -5.321 1.731 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.428 -4.086 2.144 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.539 -4.743 0.702 1.00 9.13 C ATOM 0 H VAL A 5 0.808 -7.679 2.303 1.00 4.44 H new ATOM 0 HA VAL A 5 0.631 -4.957 3.391 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.069 -6.144 1.274 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.919 -3.683 1.258 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.182 -4.412 2.860 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.807 -3.313 2.597 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.022 -4.379 -0.186 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.086 -3.922 1.166 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.237 -5.530 0.418 1.00 9.13 H new ATOM 92 N LYS A 6 -1.253 -5.958 5.150 1.00 6.04 N ATOM 93 CA LYS A 6 -2.318 -6.525 6.006 1.00 6.12 C ATOM 94 C LYS A 6 -3.620 -5.740 5.879 1.00 6.57 C ATOM 95 O LYS A 6 -3.801 -4.540 6.180 1.00 5.76 O ATOM 96 CB LYS A 6 -1.868 -6.385 7.485 1.00 7.45 C ATOM 97 CG LYS A 6 -0.716 -7.257 7.957 1.00 11.12 C ATOM 98 CD LYS A 6 -1.053 -8.762 8.043 1.00 14.54 C ATOM 99 CE LYS A 6 0.107 -9.677 8.361 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.302 -11.040 8.454 1.00 20.55 N ATOM 0 H LYS A 6 -0.792 -5.143 5.555 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.482 -7.559 5.702 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.593 -5.344 7.655 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.729 -6.595 8.119 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.127 -7.123 7.279 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.393 -6.912 8.939 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.820 -8.901 8.805 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.487 -9.073 7.093 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.870 -9.579 7.588 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.565 -9.370 9.302 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.533 -11.645 8.589 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.947 -11.155 9.262 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.791 -11.316 7.579 1.00 20.55 H new ATOM 114 N THR A 7 -4.698 -6.476 5.502 1.00 7.41 N ATOM 115 CA THR A 7 -6.038 -5.955 5.381 1.00 7.48 C ATOM 116 C THR A 7 -6.600 -5.792 6.776 1.00 8.75 C ATOM 117 O THR A 7 -6.054 -6.337 7.718 1.00 8.58 O ATOM 118 CB THR A 7 -6.924 -6.695 4.344 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.389 -7.905 4.934 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.241 -7.180 3.115 1.00 9.17 C ATOM 0 H THR A 7 -4.632 -7.468 5.274 1.00 7.41 H new ATOM 0 HA THR A 7 -6.019 -4.966 4.923 1.00 7.48 H new ATOM 0 HB THR A 7 -7.673 -5.951 4.071 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.953 -8.386 4.293 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.964 -7.679 2.470 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.804 -6.334 2.584 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.454 -7.882 3.389 1.00 9.17 H new ATOM 128 N LEU A 8 -7.697 -5.045 6.907 1.00 9.84 N ATOM 129 CA LEU A 8 -8.394 -4.890 8.219 1.00 14.15 C ATOM 130 C LEU A 8 -8.944 -6.229 8.720 1.00 17.37 C ATOM 131 O LEU A 8 -8.910 -6.481 9.912 1.00 17.01 O ATOM 132 CB LEU A 8 -9.421 -3.715 8.234 1.00 16.63 C ATOM 133 CG LEU A 8 -9.829 -3.330 9.617 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.705 -2.479 10.280 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.228 -2.778 9.597 1.00 18.59 C ATOM 0 H LEU A 8 -8.132 -4.535 6.138 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.648 -4.585 8.953 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.986 -2.850 7.733 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.305 -4.002 7.665 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.913 -4.185 10.288 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.007 -2.200 11.289 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.785 -3.062 10.325 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.535 -1.578 9.690 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.523 -2.498 10.608 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.263 -1.900 8.952 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.913 -3.536 9.216 1.00 18.59 H new ATOM 147 N THR A 9 -9.501 -7.036 7.815 1.00 18.33 N ATOM 148 CA THR A 9 -9.954 -8.372 8.225 1.00 19.24 C ATOM 149 C THR A 9 -8.836 -9.441 8.184 1.00 19.48 C ATOM 150 O THR A 9 -9.006 -10.664 8.249 1.00 23.14 O ATOM 151 CB THR A 9 -11.165 -8.861 7.482 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.965 -8.795 6.064 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.325 -7.885 7.814 1.00 19.70 C ATOM 0 H THR A 9 -9.647 -6.805 6.832 1.00 18.33 H new ATOM 0 HA THR A 9 -10.247 -8.233 9.266 1.00 19.24 H new ATOM 0 HB THR A 9 -11.369 -9.892 7.771 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.767 -9.121 5.605 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.228 -8.203 7.293 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.506 -7.887 8.889 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.057 -6.878 7.493 1.00 19.70 H new ATOM 161 N GLY A 10 -7.546 -8.939 8.188 1.00 19.43 N ATOM 162 CA GLY A 10 -6.456 -9.797 8.733 1.00 18.74 C ATOM 163 C GLY A 10 -5.831 -10.619 7.669 1.00 17.62 C ATOM 164 O GLY A 10 -5.008 -11.459 7.905 1.00 19.74 O ATOM 0 H GLY A 10 -7.264 -8.020 7.847 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.698 -9.170 9.203 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.857 -10.448 9.509 1.00 18.74 H new ATOM 168 N LYS A 11 -6.182 -10.448 6.372 1.00 13.56 N ATOM 169 CA LYS A 11 -5.680 -11.244 5.226 1.00 11.91 C ATOM 170 C LYS A 11 -4.275 -10.718 4.943 1.00 10.18 C ATOM 171 O LYS A 11 -3.997 -9.518 5.002 1.00 9.10 O ATOM 172 CB LYS A 11 -6.619 -10.998 3.984 1.00 13.43 C ATOM 173 CG LYS A 11 -6.225 -11.912 2.810 1.00 16.69 C ATOM 174 CD LYS A 11 -7.346 -11.908 1.703 1.00 17.92 C ATOM 175 CE LYS A 11 -7.171 -12.785 0.476 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.418 -12.654 -0.244 1.00 21.93 N ATOM 0 H LYS A 11 -6.845 -9.728 6.085 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.666 -12.314 5.433 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.656 -11.185 4.264 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.555 -9.955 3.675 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.281 -11.575 2.381 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.066 -12.928 3.171 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.282 -12.195 2.182 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.465 -10.881 1.359 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.327 -12.456 -0.130 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.980 -13.822 0.753 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.408 -13.282 -1.073 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.208 -12.916 0.380 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.536 -11.669 -0.558 1.00 21.93 H new ATOM 190 N THR A 12 -3.310 -11.651 4.567 1.00 9.63 N ATOM 191 CA THR A 12 -1.943 -11.242 4.282 1.00 9.85 C ATOM 192 C THR A 12 -1.772 -11.206 2.729 1.00 11.66 C ATOM 193 O THR A 12 -1.637 -12.182 2.017 1.00 12.33 O ATOM 194 CB THR A 12 -0.970 -12.176 4.928 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.283 -12.317 6.293 1.00 10.91 O ATOM 196 CG2 THR A 12 0.410 -11.486 4.856 1.00 9.63 C ATOM 0 H THR A 12 -3.485 -12.651 4.468 1.00 9.63 H new ATOM 0 HA THR A 12 -1.742 -10.252 4.692 1.00 9.85 H new ATOM 0 HB THR A 12 -0.990 -13.148 4.436 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.645 -12.931 6.713 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.162 -12.127 5.316 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.674 -11.308 3.814 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.370 -10.535 5.388 1.00 9.63 H new ATOM 204 N ILE A 13 -1.742 -10.000 2.180 1.00 10.42 N ATOM 205 CA ILE A 13 -1.459 -9.842 0.782 1.00 11.84 C ATOM 206 C ILE A 13 0.013 -9.807 0.562 1.00 10.55 C ATOM 207 O ILE A 13 0.747 -9.035 1.128 1.00 11.92 O ATOM 208 CB ILE A 13 -2.246 -8.586 0.333 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.729 -8.925 0.109 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.607 -7.967 -0.975 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.571 -7.649 -0.033 1.00 16.46 C ATOM 0 H ILE A 13 -1.910 -9.130 2.686 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.786 -10.678 0.163 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.185 -7.842 1.127 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.834 -9.536 -0.788 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.100 -9.518 0.945 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.174 -7.086 -1.275 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.574 -7.683 -0.776 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.633 -8.705 -1.777 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.615 -7.918 -0.190 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.483 -7.052 0.875 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.213 -7.070 -0.884 1.00 16.46 H new ATOM 223 N THR A 14 0.498 -10.683 -0.376 1.00 9.39 N ATOM 224 CA THR A 14 1.919 -10.674 -0.759 1.00 9.63 C ATOM 225 C THR A 14 2.168 -9.843 -1.922 1.00 11.20 C ATOM 226 O THR A 14 1.595 -10.113 -2.986 1.00 11.63 O ATOM 227 CB THR A 14 2.455 -12.043 -1.068 1.00 10.38 C ATOM 228 OG1 THR A 14 2.291 -12.845 0.087 1.00 16.30 O ATOM 229 CG2 THR A 14 3.968 -12.032 -1.315 1.00 11.66 C ATOM 0 H THR A 14 -0.069 -11.379 -0.859 1.00 9.39 H new ATOM 0 HA THR A 14 2.430 -10.271 0.115 1.00 9.63 H new ATOM 0 HB THR A 14 1.927 -12.404 -1.951 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.963 -12.597 0.755 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.308 -13.044 -1.534 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.194 -11.382 -2.160 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.479 -11.662 -0.426 1.00 11.66 H new ATOM 237 N LEU A 15 2.992 -8.782 -1.876 1.00 8.29 N ATOM 238 CA LEU A 15 3.383 -7.938 -3.080 1.00 9.03 C ATOM 239 C LEU A 15 4.826 -8.040 -3.414 1.00 8.59 C ATOM 240 O LEU A 15 5.731 -7.780 -2.610 1.00 7.79 O ATOM 241 CB LEU A 15 3.058 -6.404 -3.014 1.00 11.08 C ATOM 242 CG LEU A 15 1.543 -6.088 -2.756 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.389 -4.580 -2.837 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.498 -6.797 -3.633 1.00 15.27 C ATOM 0 H LEU A 15 3.423 -8.462 -1.009 1.00 8.29 H new ATOM 0 HA LEU A 15 2.745 -8.383 -3.844 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.654 -5.950 -2.223 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.363 -5.937 -3.951 1.00 11.08 H new ATOM 0 HG LEU A 15 1.313 -6.500 -1.774 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.347 -4.311 -2.663 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.016 -4.109 -2.080 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.693 -4.236 -3.826 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.502 -6.478 -3.337 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.666 -6.540 -4.679 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.587 -7.876 -3.505 1.00 15.27 H new ATOM 256 N GLU A 16 5.215 -8.431 -4.640 1.00 11.04 N ATOM 257 CA GLU A 16 6.563 -8.228 -5.147 1.00 11.50 C ATOM 258 C GLU A 16 6.746 -6.829 -5.753 1.00 10.13 C ATOM 259 O GLU A 16 5.906 -6.290 -6.396 1.00 9.83 O ATOM 260 CB GLU A 16 7.002 -9.314 -6.067 1.00 17.22 C ATOM 261 CG GLU A 16 6.911 -10.795 -5.475 1.00 23.33 C ATOM 262 CD GLU A 16 7.133 -11.822 -6.534 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.303 -12.109 -6.973 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.070 -12.298 -7.047 1.00 28.90 O ATOM 0 H GLU A 16 4.594 -8.897 -5.301 1.00 11.04 H new ATOM 0 HA GLU A 16 7.229 -8.283 -4.286 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.397 -9.266 -6.973 1.00 17.22 H new ATOM 0 HB3 GLU A 16 8.034 -9.122 -6.362 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.653 -10.919 -4.686 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.932 -10.946 -5.019 1.00 23.33 H new ATOM 271 N VAL A 17 7.903 -6.174 -5.559 1.00 8.99 N ATOM 272 CA VAL A 17 8.038 -4.718 -5.674 1.00 8.85 C ATOM 273 C VAL A 17 9.515 -4.401 -6.011 1.00 8.04 C ATOM 274 O VAL A 17 10.348 -5.289 -6.092 1.00 8.99 O ATOM 275 CB VAL A 17 7.638 -3.961 -4.409 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.069 -3.740 -4.263 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.275 -4.702 -3.151 1.00 10.54 C ATOM 0 H VAL A 17 8.774 -6.646 -5.317 1.00 8.99 H new ATOM 0 HA VAL A 17 7.356 -4.386 -6.457 1.00 8.85 H new ATOM 0 HB VAL A 17 8.037 -2.949 -4.475 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.862 -3.196 -3.341 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.702 -3.166 -5.114 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.567 -4.707 -4.234 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.998 -4.173 -2.239 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.902 -5.725 -3.104 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.361 -4.715 -3.248 1.00 10.54 H new ATOM 287 N GLU A 18 9.780 -3.135 -6.292 1.00 7.29 N ATOM 288 CA GLU A 18 11.139 -2.609 -6.395 1.00 7.08 C ATOM 289 C GLU A 18 11.239 -1.304 -5.562 1.00 6.45 C ATOM 290 O GLU A 18 10.163 -0.736 -5.457 1.00 5.28 O ATOM 291 CB GLU A 18 11.639 -2.284 -7.821 1.00 10.28 C ATOM 292 CG GLU A 18 10.770 -1.359 -8.673 1.00 12.65 C ATOM 293 CD GLU A 18 11.342 -1.126 -10.035 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.342 -0.382 -10.147 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.808 -1.710 -11.004 1.00 14.33 O ATOM 0 H GLU A 18 9.056 -2.436 -6.457 1.00 7.29 H new ATOM 0 HA GLU A 18 11.772 -3.416 -6.027 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.629 -1.835 -7.738 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.760 -3.224 -8.359 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.774 -1.790 -8.770 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.655 -0.403 -8.163 1.00 12.65 H new ATOM 302 N PRO A 19 12.278 -0.798 -4.989 1.00 7.24 N ATOM 303 CA PRO A 19 12.195 0.293 -4.035 1.00 7.07 C ATOM 304 C PRO A 19 11.794 1.581 -4.702 1.00 6.65 C ATOM 305 O PRO A 19 11.303 2.430 -3.980 1.00 6.37 O ATOM 306 CB PRO A 19 13.635 0.370 -3.567 1.00 7.61 C ATOM 307 CG PRO A 19 14.253 -0.989 -3.683 1.00 8.16 C ATOM 308 CD PRO A 19 13.636 -1.410 -4.958 1.00 7.49 C ATOM 0 HA PRO A 19 11.458 0.139 -3.247 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.190 1.090 -4.169 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.678 0.718 -2.535 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.341 -0.955 -3.732 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.992 -1.644 -2.852 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.232 -1.076 -5.807 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.574 -2.496 -5.020 1.00 7.49 H new ATOM 316 N SER A 20 11.868 1.655 -6.070 1.00 6.80 N ATOM 317 CA SER A 20 11.414 2.860 -6.755 1.00 6.28 C ATOM 318 C SER A 20 9.964 2.748 -7.202 1.00 8.45 C ATOM 319 O SER A 20 9.558 3.786 -7.733 1.00 7.26 O ATOM 320 CB SER A 20 12.225 3.131 -8.090 1.00 8.57 C ATOM 321 OG SER A 20 13.539 3.542 -7.775 1.00 11.13 O ATOM 0 H SER A 20 12.225 0.917 -6.676 1.00 6.80 H new ATOM 0 HA SER A 20 11.556 3.658 -6.026 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.253 2.228 -8.700 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.725 3.899 -8.681 1.00 8.57 H new ATOM 0 HG SER A 20 14.037 3.707 -8.603 1.00 11.13 H new ATOM 327 N ASP A 21 9.211 1.632 -6.951 1.00 7.50 N ATOM 328 CA ASP A 21 7.728 1.538 -7.060 1.00 7.70 C ATOM 329 C ASP A 21 7.150 2.571 -6.107 1.00 7.08 C ATOM 330 O ASP A 21 7.619 2.783 -4.966 1.00 8.11 O ATOM 331 CB ASP A 21 7.208 0.171 -6.579 1.00 11.00 C ATOM 332 CG ASP A 21 7.127 -0.867 -7.678 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.957 -0.412 -8.837 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.172 -2.105 -7.435 1.00 18.03 O ATOM 0 H ASP A 21 9.636 0.752 -6.660 1.00 7.50 H new ATOM 0 HA ASP A 21 7.443 1.687 -8.101 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.861 -0.199 -5.788 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.219 0.302 -6.140 1.00 11.00 H new ATOM 339 N THR A 22 6.062 3.204 -6.622 1.00 5.37 N ATOM 340 CA THR A 22 5.332 4.236 -5.876 1.00 6.01 C ATOM 341 C THR A 22 4.096 3.583 -5.240 1.00 8.01 C ATOM 342 O THR A 22 3.742 2.468 -5.570 1.00 8.11 O ATOM 343 CB THR A 22 4.877 5.344 -6.829 1.00 8.92 C ATOM 344 OG1 THR A 22 4.304 4.820 -7.985 1.00 10.22 O ATOM 345 CG2 THR A 22 6.157 6.110 -7.273 1.00 9.65 C ATOM 0 H THR A 22 5.681 3.011 -7.548 1.00 5.37 H new ATOM 0 HA THR A 22 5.977 4.668 -5.111 1.00 6.01 H new ATOM 0 HB THR A 22 4.146 5.972 -6.320 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.023 5.553 -8.572 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.882 6.913 -7.957 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.651 6.532 -6.398 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.836 5.422 -7.776 1.00 9.65 H new ATOM 353 N ILE A 23 3.474 4.264 -4.307 1.00 8.32 N ATOM 354 CA ILE A 23 2.232 3.849 -3.602 1.00 9.92 C ATOM 355 C ILE A 23 1.106 3.787 -4.552 1.00 10.01 C ATOM 356 O ILE A 23 0.159 3.029 -4.388 1.00 8.71 O ATOM 357 CB ILE A 23 1.955 4.701 -2.373 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.072 4.550 -1.346 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.572 4.497 -1.698 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.333 3.184 -0.688 1.00 12.30 C ATOM 0 H ILE A 23 3.817 5.169 -3.986 1.00 8.32 H new ATOM 0 HA ILE A 23 2.372 2.842 -3.210 1.00 9.92 H new ATOM 0 HB ILE A 23 1.924 5.720 -2.760 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.999 4.860 -1.828 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.875 5.263 -0.545 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.488 5.156 -0.834 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.219 4.730 -2.411 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.474 3.461 -1.374 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.163 3.270 0.013 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.439 2.861 -0.154 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.581 2.452 -1.456 1.00 12.30 H new ATOM 372 N GLU A 24 1.168 4.546 -5.636 1.00 9.54 N ATOM 373 CA GLU A 24 0.303 4.403 -6.769 1.00 11.81 C ATOM 374 C GLU A 24 0.400 3.071 -7.542 1.00 11.14 C ATOM 375 O GLU A 24 -0.579 2.417 -7.939 1.00 10.62 O ATOM 376 CB GLU A 24 0.601 5.546 -7.747 1.00 19.24 C ATOM 377 CG GLU A 24 -0.503 5.765 -8.804 1.00 27.76 C ATOM 378 CD GLU A 24 -0.124 6.823 -9.777 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.984 6.766 -10.328 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.913 7.768 -10.070 1.00 36.51 O ATOM 0 H GLU A 24 1.848 5.299 -5.742 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.707 4.424 -6.361 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.739 6.468 -7.182 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.543 5.340 -8.256 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.690 4.832 -9.335 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.433 6.042 -8.308 1.00 27.76 H new ATOM 387 N ASN A 25 1.622 2.528 -7.777 1.00 9.43 N ATOM 388 CA ASN A 25 1.819 1.150 -8.259 1.00 10.96 C ATOM 389 C ASN A 25 1.273 0.160 -7.210 1.00 9.68 C ATOM 390 O ASN A 25 0.677 -0.870 -7.553 1.00 9.33 O ATOM 391 CB ASN A 25 3.303 0.843 -8.476 1.00 16.78 C ATOM 392 CG ASN A 25 3.980 1.698 -9.554 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.341 2.530 -10.198 1.00 25.66 O ATOM 394 ND2 ASN A 25 5.293 1.529 -9.681 1.00 24.70 N ATOM 0 H ASN A 25 2.494 3.039 -7.636 1.00 9.43 H new ATOM 0 HA ASN A 25 1.291 1.048 -9.207 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.832 0.985 -7.533 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.408 -0.208 -8.745 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.820 2.105 -10.338 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.773 0.824 -9.122 1.00 24.70 H new ATOM 401 N VAL A 26 1.525 0.403 -5.873 1.00 6.52 N ATOM 402 CA VAL A 26 1.199 -0.531 -4.873 1.00 5.53 C ATOM 403 C VAL A 26 -0.323 -0.827 -4.804 1.00 4.42 C ATOM 404 O VAL A 26 -0.732 -1.947 -4.738 1.00 3.40 O ATOM 405 CB VAL A 26 1.559 -0.005 -3.516 1.00 3.86 C ATOM 406 CG1 VAL A 26 0.932 -0.741 -2.284 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.074 -0.192 -3.387 1.00 8.12 C ATOM 0 H VAL A 26 1.956 1.259 -5.523 1.00 6.52 H new ATOM 0 HA VAL A 26 1.755 -1.432 -5.134 1.00 5.53 H new ATOM 0 HB VAL A 26 1.181 1.017 -3.479 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.271 -0.264 -1.364 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.155 -0.686 -2.342 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.243 -1.786 -2.287 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.404 0.173 -2.415 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.319 -1.250 -3.479 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.578 0.367 -4.175 1.00 8.12 H new ATOM 417 N LYS A 27 -1.138 0.274 -4.846 1.00 2.64 N ATOM 418 CA LYS A 27 -2.621 0.251 -4.986 1.00 4.14 C ATOM 419 C LYS A 27 -3.110 -0.489 -6.196 1.00 5.58 C ATOM 420 O LYS A 27 -4.036 -1.318 -6.093 1.00 4.11 O ATOM 421 CB LYS A 27 -3.239 1.706 -4.903 1.00 3.97 C ATOM 422 CG LYS A 27 -3.075 2.300 -3.487 1.00 7.45 C ATOM 423 CD LYS A 27 -3.567 3.764 -3.414 1.00 9.02 C ATOM 424 CE LYS A 27 -3.475 4.338 -2.009 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.839 5.737 -1.994 1.00 15.47 N ATOM 0 H LYS A 27 -0.767 1.222 -4.781 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.982 -0.321 -4.131 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.751 2.354 -5.631 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.296 1.671 -5.166 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.632 1.694 -2.773 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.026 2.255 -3.194 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.975 4.377 -4.093 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.600 3.815 -3.757 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.132 3.781 -1.341 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.460 4.219 -1.630 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.146 6.006 -1.037 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.017 6.312 -2.268 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.616 5.901 -2.665 1.00 15.47 H new ATOM 439 N ALA A 28 -2.519 -0.312 -7.400 1.00 6.61 N ATOM 440 CA ALA A 28 -2.833 -1.151 -8.566 1.00 7.74 C ATOM 441 C ALA A 28 -2.498 -2.629 -8.439 1.00 9.17 C ATOM 442 O ALA A 28 -3.324 -3.444 -8.883 1.00 11.45 O ATOM 443 CB ALA A 28 -2.071 -0.584 -9.734 1.00 7.68 C ATOM 0 H ALA A 28 -1.821 0.408 -7.584 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.916 -1.123 -8.682 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.275 -1.178 -10.625 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.382 0.446 -9.906 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.003 -0.609 -9.518 1.00 7.68 H new ATOM 449 N LYS A 29 -1.445 -2.991 -7.706 1.00 8.96 N ATOM 450 CA LYS A 29 -1.150 -4.386 -7.384 1.00 7.90 C ATOM 451 C LYS A 29 -2.179 -4.944 -6.472 1.00 6.92 C ATOM 452 O LYS A 29 -2.570 -6.078 -6.691 1.00 6.87 O ATOM 453 CB LYS A 29 0.283 -4.451 -6.813 1.00 10.28 C ATOM 454 CG LYS A 29 1.500 -4.254 -7.725 1.00 14.94 C ATOM 455 CD LYS A 29 2.865 -4.161 -6.967 1.00 19.69 C ATOM 456 CE LYS A 29 4.122 -4.106 -7.919 1.00 22.63 C ATOM 457 NZ LYS A 29 4.320 -5.441 -8.603 1.00 24.98 N ATOM 0 H LYS A 29 -0.774 -2.327 -7.320 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.188 -5.012 -8.276 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.348 -3.701 -6.025 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.394 -5.425 -6.336 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.547 -5.082 -8.433 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.359 -3.344 -8.308 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.860 -3.272 -6.337 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.961 -5.021 -6.304 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.988 -3.323 -8.666 1.00 22.63 H new ATOM 0 HE3 LYS A 29 5.011 -3.849 -7.344 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.680 -5.287 -9.567 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.004 -6.009 -8.064 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.412 -5.945 -8.649 1.00 24.98 H new ATOM 471 N ILE A 30 -2.741 -4.222 -5.525 1.00 4.57 N ATOM 472 CA ILE A 30 -3.788 -4.635 -4.618 1.00 5.58 C ATOM 473 C ILE A 30 -5.120 -4.707 -5.187 1.00 7.26 C ATOM 474 O ILE A 30 -5.937 -5.527 -4.713 1.00 9.46 O ATOM 475 CB ILE A 30 -3.791 -3.685 -3.430 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.457 -3.843 -2.618 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.924 -3.944 -2.435 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.221 -2.836 -1.458 1.00 2.00 C ATOM 0 H ILE A 30 -2.454 -3.257 -5.358 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.554 -5.661 -4.333 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.915 -2.691 -3.860 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.428 -4.851 -2.204 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.623 -3.760 -3.315 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.860 -3.227 -1.616 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.884 -3.833 -2.940 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.837 -4.956 -2.039 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.267 -3.052 -0.978 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.207 -1.821 -1.855 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.024 -2.928 -0.727 1.00 2.00 H new ATOM 490 N GLN A 31 -5.358 -3.991 -6.231 1.00 7.06 N ATOM 491 CA GLN A 31 -6.608 -4.077 -6.988 1.00 8.67 C ATOM 492 C GLN A 31 -6.711 -5.396 -7.599 1.00 10.90 C ATOM 493 O GLN A 31 -7.708 -6.083 -7.430 1.00 9.63 O ATOM 494 CB GLN A 31 -6.714 -2.873 -7.997 1.00 9.12 C ATOM 495 CG GLN A 31 -7.864 -3.054 -8.951 1.00 10.76 C ATOM 496 CD GLN A 31 -8.163 -1.866 -9.901 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.993 -1.031 -9.590 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.426 -1.790 -11.026 1.00 14.76 N ATOM 0 H GLN A 31 -4.695 -3.313 -6.607 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.473 -3.978 -6.332 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.842 -1.943 -7.443 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.784 -2.784 -8.559 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.668 -3.937 -9.559 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.762 -3.261 -8.369 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.744 -2.518 -11.239 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.550 -1.005 -11.665 1.00 14.76 H new ATOM 507 N ASP A 32 -5.529 -5.846 -8.207 1.00 10.93 N ATOM 508 CA ASP A 32 -5.411 -7.149 -8.870 1.00 14.01 C ATOM 509 C ASP A 32 -5.613 -8.360 -7.885 1.00 14.04 C ATOM 510 O ASP A 32 -6.114 -9.371 -8.211 1.00 13.39 O ATOM 511 CB ASP A 32 -4.014 -7.145 -9.647 1.00 18.01 C ATOM 512 CG ASP A 32 -3.657 -8.433 -10.419 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.455 -8.897 -11.269 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.597 -9.057 -10.126 1.00 26.29 O ATOM 0 H ASP A 32 -4.670 -5.297 -8.229 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.218 -7.296 -9.588 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.017 -6.313 -10.352 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.222 -6.948 -8.925 1.00 18.01 H new ATOM 519 N LYS A 33 -5.127 -8.242 -6.645 1.00 14.22 N ATOM 520 CA LYS A 33 -5.206 -9.096 -5.459 1.00 14.00 C ATOM 521 C LYS A 33 -6.522 -9.189 -4.782 1.00 12.37 C ATOM 522 O LYS A 33 -6.940 -10.282 -4.414 1.00 12.17 O ATOM 523 CB LYS A 33 -4.261 -8.570 -4.382 1.00 18.62 C ATOM 524 CG LYS A 33 -2.762 -8.809 -4.627 1.00 24.00 C ATOM 525 CD LYS A 33 -2.331 -10.289 -4.431 1.00 27.61 C ATOM 526 CE LYS A 33 -0.922 -10.445 -4.932 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.384 -11.870 -4.768 1.00 30.06 N ATOM 0 H LYS A 33 -4.582 -7.410 -6.419 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.962 -10.080 -5.859 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.425 -7.498 -4.274 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.532 -9.031 -3.432 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.513 -8.498 -5.642 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.186 -8.178 -3.950 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.392 -10.565 -3.378 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.002 -10.954 -4.974 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.884 -10.167 -5.985 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.273 -9.753 -4.396 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.450 -11.857 -4.147 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.120 -12.473 -4.347 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.116 -12.249 -5.699 1.00 30.06 H new ATOM 541 N GLU A 34 -7.165 -8.062 -4.467 1.00 10.11 N ATOM 542 CA GLU A 34 -8.244 -7.985 -3.528 1.00 10.07 C ATOM 543 C GLU A 34 -9.476 -7.276 -4.056 1.00 9.32 C ATOM 544 O GLU A 34 -10.518 -7.233 -3.457 1.00 11.61 O ATOM 545 CB GLU A 34 -7.683 -7.300 -2.289 1.00 14.77 C ATOM 546 CG GLU A 34 -8.433 -7.512 -0.939 1.00 18.75 C ATOM 547 CD GLU A 34 -8.655 -8.911 -0.387 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.351 -9.956 -1.028 1.00 25.19 O ATOM 549 OE2 GLU A 34 -9.153 -9.017 0.742 1.00 21.95 O ATOM 0 H GLU A 34 -6.928 -7.160 -4.881 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.604 -8.990 -3.307 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.655 -7.636 -2.157 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -7.645 -6.229 -2.487 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -7.891 -6.949 -0.179 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -9.414 -7.048 -1.040 1.00 18.75 H new ATOM 556 N GLY A 35 -9.384 -6.862 -5.353 1.00 7.22 N ATOM 557 CA GLY A 35 -10.441 -6.151 -6.067 1.00 6.29 C ATOM 558 C GLY A 35 -10.839 -4.821 -5.486 1.00 6.93 C ATOM 559 O GLY A 35 -12.026 -4.452 -5.598 1.00 7.41 O ATOM 0 H GLY A 35 -8.554 -7.024 -5.923 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.118 -5.995 -7.096 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.323 -6.790 -6.103 1.00 6.29 H new ATOM 563 N ILE A 36 -9.965 -4.038 -4.794 1.00 5.86 N ATOM 564 CA ILE A 36 -10.403 -2.859 -4.130 1.00 6.07 C ATOM 565 C ILE A 36 -9.963 -1.654 -5.015 1.00 6.36 C ATOM 566 O ILE A 36 -8.801 -1.628 -5.443 1.00 6.18 O ATOM 567 CB ILE A 36 -9.851 -2.586 -2.715 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.185 -3.771 -1.712 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.333 -1.240 -2.150 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.439 -3.674 -0.428 1.00 9.49 C ATOM 0 H ILE A 36 -8.968 -4.232 -4.704 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.476 -2.996 -3.997 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.767 -2.528 -2.816 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.255 -3.773 -1.505 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.951 -4.722 -2.191 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.918 -1.094 -1.153 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.002 -0.432 -2.803 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.422 -1.238 -2.093 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.710 -4.512 0.215 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.368 -3.701 -0.627 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.692 -2.738 0.070 1.00 9.49 H new ATOM 582 N PRO A 37 -10.817 -0.715 -5.404 1.00 8.65 N ATOM 583 CA PRO A 37 -10.436 0.448 -6.218 1.00 9.18 C ATOM 584 C PRO A 37 -9.289 1.253 -5.636 1.00 9.85 C ATOM 585 O PRO A 37 -9.332 1.510 -4.416 1.00 8.51 O ATOM 586 CB PRO A 37 -11.679 1.328 -6.240 1.00 11.42 C ATOM 587 CG PRO A 37 -12.823 0.299 -6.227 1.00 9.27 C ATOM 588 CD PRO A 37 -12.248 -0.768 -5.277 1.00 8.33 C ATOM 0 HA PRO A 37 -10.097 0.111 -7.198 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.721 1.991 -5.376 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.712 1.959 -7.128 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.755 0.724 -5.854 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.029 -0.101 -7.220 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.552 -0.573 -4.248 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.622 -1.758 -5.537 1.00 8.33 H new ATOM 596 N PRO A 38 -8.239 1.711 -6.303 1.00 8.71 N ATOM 597 CA PRO A 38 -7.330 2.718 -5.745 1.00 9.08 C ATOM 598 C PRO A 38 -7.863 3.905 -4.941 1.00 9.28 C ATOM 599 O PRO A 38 -7.254 4.217 -3.886 1.00 6.50 O ATOM 600 CB PRO A 38 -6.481 3.073 -6.921 1.00 10.31 C ATOM 601 CG PRO A 38 -6.370 1.704 -7.658 1.00 10.81 C ATOM 602 CD PRO A 38 -7.765 1.103 -7.508 1.00 12.00 C ATOM 0 HA PRO A 38 -6.802 2.285 -4.896 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.945 3.837 -7.545 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.506 3.456 -6.621 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.100 1.833 -8.706 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.608 1.067 -7.208 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.402 1.341 -8.360 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.732 0.016 -7.428 1.00 12.00 H new ATOM 610 N ASP A 39 -9.063 4.387 -5.389 1.00 11.20 N ATOM 611 CA ASP A 39 -9.735 5.466 -4.706 1.00 14.96 C ATOM 612 C ASP A 39 -10.274 5.100 -3.354 1.00 13.99 C ATOM 613 O ASP A 39 -10.486 5.936 -2.475 1.00 13.75 O ATOM 614 CB ASP A 39 -10.885 5.983 -5.575 1.00 24.16 C ATOM 615 CG ASP A 39 -10.296 6.551 -6.830 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.385 7.402 -6.782 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.811 6.277 -7.905 1.00 34.22 O ATOM 0 H ASP A 39 -9.554 4.032 -6.210 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.979 6.234 -4.542 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.578 5.175 -5.811 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.453 6.745 -5.042 1.00 24.16 H new ATOM 622 N GLN A 40 -10.405 3.800 -3.058 1.00 11.60 N ATOM 623 CA GLN A 40 -10.936 3.298 -1.812 1.00 10.76 C ATOM 624 C GLN A 40 -9.855 2.684 -0.954 1.00 8.01 C ATOM 625 O GLN A 40 -10.065 2.317 0.186 1.00 8.96 O ATOM 626 CB GLN A 40 -12.051 2.208 -2.003 1.00 11.14 C ATOM 627 CG GLN A 40 -13.339 2.829 -2.649 1.00 14.85 C ATOM 628 CD GLN A 40 -14.420 1.795 -2.895 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.581 0.814 -2.146 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.221 1.980 -3.973 1.00 18.16 N ATOM 0 H GLN A 40 -10.133 3.060 -3.705 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.370 4.173 -1.328 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.674 1.404 -2.635 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.301 1.765 -1.039 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.729 3.610 -1.996 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.075 3.306 -3.593 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.080 2.787 -4.580 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.964 1.312 -4.177 1.00 18.16 H new ATOM 639 N GLN A 41 -8.608 2.734 -1.420 1.00 6.52 N ATOM 640 CA GLN A 41 -7.433 2.372 -0.613 1.00 3.87 C ATOM 641 C GLN A 41 -6.699 3.570 0.036 1.00 4.79 C ATOM 642 O GLN A 41 -6.491 4.679 -0.515 1.00 6.34 O ATOM 643 CB GLN A 41 -6.484 1.505 -1.454 1.00 4.20 C ATOM 644 CG GLN A 41 -7.060 0.182 -2.038 1.00 3.20 C ATOM 645 CD GLN A 41 -5.939 -0.464 -2.832 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.816 -0.699 -2.381 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.194 -0.826 -4.081 1.00 7.13 N ATOM 0 H GLN A 41 -8.378 3.027 -2.370 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.801 1.799 0.238 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.119 2.110 -2.284 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.620 1.255 -0.838 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.400 -0.478 -1.240 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.921 0.382 -2.675 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.113 -0.647 -4.486 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.472 -1.284 -4.637 1.00 7.13 H new ATOM 656 N ARG A 42 -6.329 3.343 1.341 1.00 5.73 N ATOM 657 CA ARG A 42 -5.366 4.130 2.090 1.00 6.97 C ATOM 658 C ARG A 42 -4.257 3.244 2.672 1.00 7.15 C ATOM 659 O ARG A 42 -4.550 2.264 3.314 1.00 7.33 O ATOM 660 CB ARG A 42 -5.971 5.037 3.100 1.00 13.23 C ATOM 661 CG ARG A 42 -6.101 6.553 2.759 1.00 21.27 C ATOM 662 CD ARG A 42 -7.076 7.141 3.763 1.00 26.14 C ATOM 663 NE ARG A 42 -6.978 8.647 3.683 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.468 9.517 4.567 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.057 9.095 5.657 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.255 10.808 4.487 1.00 36.39 N ATOM 0 H ARG A 42 -6.722 2.578 1.889 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.905 4.806 1.370 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.969 4.662 3.326 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.384 4.953 4.015 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.133 7.049 2.823 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.463 6.691 1.740 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.092 6.813 3.544 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.840 6.797 4.770 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.490 9.035 2.876 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.144 8.094 5.835 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.429 9.767 6.328 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.693 11.186 3.724 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.651 11.435 5.188 1.00 36.39 H new ATOM 680 N LEU A 43 -2.947 3.569 2.384 1.00 4.65 N ATOM 681 CA LEU A 43 -1.896 2.762 2.919 1.00 3.51 C ATOM 682 C LEU A 43 -1.188 3.531 4.073 1.00 5.56 C ATOM 683 O LEU A 43 -0.952 4.741 4.002 1.00 4.19 O ATOM 684 CB LEU A 43 -0.894 2.336 1.769 1.00 3.74 C ATOM 685 CG LEU A 43 -1.282 1.164 0.823 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.537 -0.085 1.686 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.504 1.367 -0.089 1.00 6.41 C ATOM 0 H LEU A 43 -2.649 4.356 1.807 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.306 1.843 3.337 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.714 3.214 1.148 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.055 2.078 2.239 1.00 3.74 H new ATOM 0 HG LEU A 43 -0.438 1.076 0.139 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.811 -0.922 1.043 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.633 -0.335 2.241 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -2.348 0.116 2.386 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.659 0.473 -0.693 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -3.388 1.550 0.522 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.332 2.222 -0.743 1.00 6.41 H new ATOM 699 N ILE A 44 -0.885 2.766 5.114 1.00 4.58 N ATOM 700 CA ILE A 44 -0.121 3.163 6.240 1.00 5.55 C ATOM 701 C ILE A 44 1.140 2.278 6.316 1.00 5.46 C ATOM 702 O ILE A 44 1.017 1.044 6.183 1.00 6.04 O ATOM 703 CB ILE A 44 -0.922 3.167 7.569 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.896 4.336 7.511 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.135 3.377 8.866 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.186 4.185 8.435 1.00 13.90 C ATOM 0 H ILE A 44 -1.196 1.796 5.177 1.00 4.58 H new ATOM 0 HA ILE A 44 0.170 4.205 6.104 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.354 2.168 7.622 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.367 5.245 7.798 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.220 4.468 6.479 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.819 3.357 9.714 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.603 2.583 8.976 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.372 4.341 8.832 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.818 5.066 8.325 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.745 3.298 8.137 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.878 4.087 9.476 1.00 13.90 H new ATOM 718 N PHE A 45 2.279 2.889 6.601 1.00 6.75 N ATOM 719 CA PHE A 45 3.475 2.235 7.049 1.00 4.70 C ATOM 720 C PHE A 45 3.990 3.050 8.237 1.00 6.34 C ATOM 721 O PHE A 45 4.184 4.256 8.155 1.00 5.45 O ATOM 722 CB PHE A 45 4.545 2.103 5.933 1.00 5.51 C ATOM 723 CG PHE A 45 5.792 1.410 6.402 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.712 0.022 6.629 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.037 2.064 6.358 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.926 -0.687 7.009 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.206 1.322 6.636 1.00 6.64 C ATOM 728 CZ PHE A 45 8.133 -0.010 7.027 1.00 6.84 C ATOM 0 H PHE A 45 2.389 3.900 6.519 1.00 6.75 H new ATOM 0 HA PHE A 45 3.256 1.207 7.339 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.122 1.551 5.094 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.803 3.096 5.564 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.774 -0.503 6.524 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.098 3.115 6.116 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.885 -1.733 7.275 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.172 1.797 6.543 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.028 -0.522 7.348 1.00 6.84 H new ATOM 738 N ALA A 46 4.299 2.285 9.307 1.00 6.53 N ATOM 739 CA ALA A 46 4.917 2.716 10.539 1.00 7.15 C ATOM 740 C ALA A 46 4.246 3.965 11.165 1.00 9.00 C ATOM 741 O ALA A 46 4.876 4.953 11.543 1.00 11.15 O ATOM 742 CB ALA A 46 6.447 2.806 10.298 1.00 8.99 C ATOM 0 H ALA A 46 4.102 1.284 9.313 1.00 6.53 H new ATOM 0 HA ALA A 46 4.754 1.980 11.326 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.941 3.130 11.214 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.828 1.827 10.007 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.649 3.524 9.503 1.00 8.99 H new ATOM 748 N GLY A 47 2.897 3.876 11.278 1.00 9.35 N ATOM 749 CA GLY A 47 1.957 4.736 11.835 1.00 11.68 C ATOM 750 C GLY A 47 1.670 5.979 10.974 1.00 11.14 C ATOM 751 O GLY A 47 0.892 6.868 11.315 1.00 13.93 O ATOM 0 H GLY A 47 2.427 3.051 10.905 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.026 4.191 11.992 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.307 5.057 12.816 1.00 11.68 H new ATOM 755 N LYS A 48 2.345 6.181 9.835 1.00 10.47 N ATOM 756 CA LYS A 48 2.259 7.306 8.905 1.00 8.82 C ATOM 757 C LYS A 48 1.407 6.841 7.705 1.00 7.68 C ATOM 758 O LYS A 48 1.735 5.876 7.016 1.00 6.47 O ATOM 759 CB LYS A 48 3.664 7.712 8.405 1.00 9.74 C ATOM 760 CG LYS A 48 3.698 8.909 7.458 1.00 14.14 C ATOM 761 CD LYS A 48 5.106 9.473 7.153 1.00 16.32 C ATOM 762 CE LYS A 48 5.834 10.307 8.271 1.00 20.04 C ATOM 763 NZ LYS A 48 5.091 11.456 8.795 1.00 23.92 N ATOM 0 H LYS A 48 3.028 5.495 9.515 1.00 10.47 H new ATOM 0 HA LYS A 48 1.815 8.169 9.401 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.289 7.936 9.270 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.113 6.857 7.900 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.229 8.620 6.517 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.090 9.707 7.885 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.751 8.634 6.891 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.027 10.103 6.267 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.068 9.640 9.101 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.783 10.664 7.872 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.659 11.934 9.523 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.890 12.121 8.021 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.196 11.130 9.213 1.00 23.92 H new ATOM 777 N GLN A 49 0.303 7.549 7.432 1.00 8.89 N ATOM 778 CA GLN A 49 -0.512 7.532 6.266 1.00 7.18 C ATOM 779 C GLN A 49 0.236 7.996 5.013 1.00 8.23 C ATOM 780 O GLN A 49 0.807 9.089 4.956 1.00 9.70 O ATOM 781 CB GLN A 49 -1.921 8.173 6.520 1.00 11.67 C ATOM 782 CG GLN A 49 -3.038 7.715 5.536 1.00 15.82 C ATOM 783 CD GLN A 49 -4.417 7.858 6.103 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.028 6.894 6.400 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.883 9.093 6.454 1.00 20.67 N ATOM 0 H GLN A 49 -0.059 8.214 8.116 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.746 6.494 6.032 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.234 7.936 7.537 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.827 9.257 6.460 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.967 8.299 4.618 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.870 6.673 5.265 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.356 9.928 6.198 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.758 9.180 6.972 1.00 20.67 H new ATOM 794 N LEU A 50 0.202 7.187 3.947 1.00 6.51 N ATOM 795 CA LEU A 50 0.996 7.373 2.741 1.00 7.41 C ATOM 796 C LEU A 50 0.335 8.094 1.590 1.00 8.27 C ATOM 797 O LEU A 50 -0.858 7.969 1.336 1.00 8.34 O ATOM 798 CB LEU A 50 1.642 6.015 2.245 1.00 7.13 C ATOM 799 CG LEU A 50 2.226 5.129 3.336 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.860 3.815 2.751 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.414 5.753 4.169 1.00 9.11 C ATOM 0 H LEU A 50 -0.398 6.363 3.905 1.00 6.51 H new ATOM 0 HA LEU A 50 1.774 8.060 3.075 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.883 5.447 1.708 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.431 6.248 1.530 1.00 7.13 H new ATOM 0 HG LEU A 50 1.354 4.969 3.970 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.265 3.213 3.564 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.095 3.245 2.224 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.661 4.074 2.059 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.751 5.035 4.917 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.240 5.995 3.500 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.072 6.661 4.666 1.00 9.11 H new ATOM 813 N GLU A 51 1.024 8.860 0.749 1.00 9.43 N ATOM 814 CA GLU A 51 0.551 9.637 -0.364 1.00 11.90 C ATOM 815 C GLU A 51 0.990 8.916 -1.651 1.00 11.49 C ATOM 816 O GLU A 51 1.947 8.099 -1.701 1.00 9.88 O ATOM 817 CB GLU A 51 1.081 11.044 -0.313 1.00 16.56 C ATOM 818 CG GLU A 51 0.679 11.914 0.960 1.00 26.06 C ATOM 819 CD GLU A 51 1.097 13.389 0.892 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.744 13.914 -0.041 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.727 14.080 1.905 1.00 32.13 O ATOM 0 H GLU A 51 2.034 8.953 0.853 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.535 9.720 -0.333 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.169 11.000 -0.365 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.740 11.569 -1.205 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.402 11.863 1.090 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.128 11.465 1.846 1.00 26.06 H new ATOM 828 N ASP A 52 0.228 9.086 -2.786 1.00 12.71 N ATOM 829 CA ASP A 52 0.283 8.138 -3.926 1.00 16.56 C ATOM 830 C ASP A 52 1.632 8.143 -4.708 1.00 15.83 C ATOM 831 O ASP A 52 2.151 7.078 -5.036 1.00 17.21 O ATOM 832 CB ASP A 52 -0.875 8.186 -4.911 1.00 21.05 C ATOM 833 CG ASP A 52 -2.189 7.676 -4.267 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.174 7.395 -3.053 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.262 7.666 -4.988 1.00 28.37 O ATOM 0 H ASP A 52 -0.418 9.864 -2.921 1.00 12.71 H new ATOM 0 HA ASP A 52 0.189 7.193 -3.392 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.013 9.209 -5.262 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.637 7.579 -5.784 1.00 21.05 H new ATOM 840 N GLY A 53 2.133 9.318 -4.973 1.00 15.00 N ATOM 841 CA GLY A 53 3.268 9.564 -5.962 1.00 11.77 C ATOM 842 C GLY A 53 4.591 9.274 -5.282 1.00 11.10 C ATOM 843 O GLY A 53 5.649 9.408 -5.867 1.00 11.25 O ATOM 0 H GLY A 53 1.795 10.172 -4.529 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.148 8.927 -6.838 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.244 10.596 -6.313 1.00 11.77 H new ATOM 847 N ARG A 54 4.541 8.817 -3.986 1.00 8.53 N ATOM 848 CA ARG A 54 5.662 8.542 -3.174 1.00 9.05 C ATOM 849 C ARG A 54 6.253 7.107 -3.322 1.00 8.96 C ATOM 850 O ARG A 54 5.516 6.134 -3.354 1.00 11.60 O ATOM 851 CB ARG A 54 5.388 8.950 -1.702 1.00 7.97 C ATOM 852 CG ARG A 54 5.385 10.447 -1.440 1.00 9.62 C ATOM 853 CD ARG A 54 6.785 11.116 -1.511 1.00 12.20 C ATOM 854 NE ARG A 54 6.575 12.580 -1.173 1.00 18.23 N ATOM 855 CZ ARG A 54 7.616 13.341 -0.864 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.887 12.952 -0.823 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.289 14.570 -0.540 1.00 23.38 N ATOM 0 H ARG A 54 3.657 8.640 -3.508 1.00 8.53 H new ATOM 0 HA ARG A 54 6.467 9.172 -3.553 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.423 8.542 -1.401 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.142 8.487 -1.066 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.729 10.929 -2.165 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.959 10.630 -0.454 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.475 10.650 -0.808 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.219 11.005 -2.505 1.00 12.20 H new ATOM 0 HE ARG A 54 5.636 12.978 -1.183 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.132 11.986 -1.042 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.617 13.619 -0.572 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.310 14.855 -0.544 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.014 15.240 -0.285 1.00 23.38 H new ATOM 871 N THR A 55 7.546 6.983 -3.394 1.00 9.05 N ATOM 872 CA THR A 55 8.278 5.692 -3.540 1.00 9.03 C ATOM 873 C THR A 55 8.408 4.893 -2.250 1.00 8.15 C ATOM 874 O THR A 55 8.218 5.382 -1.127 1.00 5.91 O ATOM 875 CB THR A 55 9.743 5.804 -4.039 1.00 11.15 C ATOM 876 OG1 THR A 55 10.470 6.752 -3.331 1.00 11.95 O ATOM 877 CG2 THR A 55 9.719 6.362 -5.470 1.00 11.71 C ATOM 0 H THR A 55 8.171 7.788 -3.354 1.00 9.05 H new ATOM 0 HA THR A 55 7.641 5.203 -4.277 1.00 9.03 H new ATOM 0 HB THR A 55 10.187 4.814 -3.937 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.352 6.388 -3.108 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.739 6.450 -5.843 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.154 5.688 -6.114 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.247 7.344 -5.470 1.00 11.71 H new ATOM 885 N LEU A 56 8.724 3.599 -2.427 1.00 6.91 N ATOM 886 CA LEU A 56 8.917 2.665 -1.298 1.00 8.29 C ATOM 887 C LEU A 56 10.146 2.978 -0.578 1.00 8.05 C ATOM 888 O LEU A 56 10.180 3.013 0.664 1.00 10.17 O ATOM 889 CB LEU A 56 9.010 1.193 -1.704 1.00 6.60 C ATOM 890 CG LEU A 56 7.770 0.603 -2.290 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.010 -0.879 -2.545 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.471 0.723 -1.394 1.00 8.64 C ATOM 0 H LEU A 56 8.852 3.172 -3.344 1.00 6.91 H new ATOM 0 HA LEU A 56 8.028 2.798 -0.682 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.818 1.085 -2.427 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.288 0.610 -0.826 1.00 6.60 H new ATOM 0 HG LEU A 56 7.578 1.178 -3.196 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.112 -1.325 -2.973 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.841 -0.999 -3.240 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.248 -1.376 -1.605 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.629 0.264 -1.911 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.635 0.213 -0.445 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.253 1.775 -1.208 1.00 8.64 H new ATOM 904 N SER A 57 11.221 3.453 -1.320 1.00 8.92 N ATOM 905 CA SER A 57 12.484 3.948 -0.821 1.00 9.00 C ATOM 906 C SER A 57 12.359 5.225 0.099 1.00 9.44 C ATOM 907 O SER A 57 13.013 5.294 1.127 1.00 10.91 O ATOM 908 CB SER A 57 13.502 4.382 -1.919 1.00 10.32 C ATOM 909 OG SER A 57 13.002 5.310 -2.863 1.00 13.59 O ATOM 0 H SER A 57 11.182 3.484 -2.339 1.00 8.92 H new ATOM 0 HA SER A 57 12.836 3.074 -0.273 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.376 4.816 -1.433 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.842 3.493 -2.450 1.00 10.32 H new ATOM 0 HG SER A 57 13.704 5.528 -3.511 1.00 13.59 H new ATOM 915 N ASP A 58 11.561 6.183 -0.235 1.00 9.11 N ATOM 916 CA ASP A 58 11.399 7.438 0.494 1.00 7.91 C ATOM 917 C ASP A 58 10.653 7.160 1.924 1.00 9.12 C ATOM 918 O ASP A 58 10.987 7.840 2.890 1.00 8.61 O ATOM 919 CB ASP A 58 10.485 8.347 -0.422 1.00 8.41 C ATOM 920 CG ASP A 58 10.441 9.778 -0.072 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.816 10.138 1.029 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.020 10.526 -1.010 1.00 11.70 O ATOM 0 H ASP A 58 10.966 6.129 -1.062 1.00 9.11 H new ATOM 0 HA ASP A 58 12.358 7.910 0.707 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.831 8.255 -1.452 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.469 7.954 -0.391 1.00 8.41 H new ATOM 927 N TYR A 59 9.904 6.018 1.959 1.00 7.97 N ATOM 928 CA TYR A 59 9.151 5.652 3.144 1.00 8.45 C ATOM 929 C TYR A 59 9.909 4.572 3.849 1.00 10.98 C ATOM 930 O TYR A 59 9.436 3.983 4.818 1.00 12.95 O ATOM 931 CB TYR A 59 7.740 5.202 2.637 1.00 7.94 C ATOM 932 CG TYR A 59 6.792 6.336 2.323 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.596 7.489 3.088 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.954 6.250 1.153 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.676 8.432 2.808 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.930 7.175 0.935 1.00 6.52 C ATOM 937 CZ TYR A 59 4.804 8.281 1.744 1.00 6.76 C ATOM 938 OH TYR A 59 3.761 9.200 1.546 1.00 7.63 O ATOM 0 H TYR A 59 9.822 5.362 1.183 1.00 7.97 H new ATOM 0 HA TYR A 59 9.018 6.463 3.861 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.867 4.594 1.741 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.284 4.563 3.393 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.221 7.633 3.957 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.120 5.460 0.436 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.618 9.318 3.422 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.232 7.021 0.125 1.00 6.52 H new ATOM 0 HH TYR A 59 4.118 10.112 1.576 1.00 7.63 H new ATOM 948 N ASN A 60 11.112 4.307 3.506 1.00 12.38 N ATOM 949 CA ASN A 60 11.991 3.344 4.157 1.00 13.94 C ATOM 950 C ASN A 60 11.488 1.953 4.307 1.00 14.16 C ATOM 951 O ASN A 60 11.704 1.216 5.243 1.00 14.26 O ATOM 952 CB ASN A 60 12.533 3.826 5.553 1.00 19.23 C ATOM 953 CG ASN A 60 13.212 5.213 5.269 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.602 6.261 5.485 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.428 5.134 4.768 1.00 24.09 N ATOM 0 H ASN A 60 11.561 4.772 2.717 1.00 12.38 H new ATOM 0 HA ASN A 60 12.798 3.301 3.425 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.725 3.923 6.278 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.248 3.114 5.966 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.937 5.985 4.527 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.861 4.222 4.621 1.00 24.09 H new ATOM 962 N ILE A 61 10.818 1.497 3.231 1.00 11.08 N ATOM 963 CA ILE A 61 10.166 0.160 3.218 1.00 11.78 C ATOM 964 C ILE A 61 11.135 -0.883 2.570 1.00 13.74 C ATOM 965 O ILE A 61 11.486 -0.902 1.403 1.00 14.60 O ATOM 966 CB ILE A 61 8.894 0.254 2.362 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.786 1.086 3.102 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.275 -1.114 1.948 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.666 1.615 2.234 1.00 11.42 C ATOM 0 H ILE A 61 10.711 2.024 2.364 1.00 11.08 H new ATOM 0 HA ILE A 61 9.923 -0.150 4.235 1.00 11.78 H new ATOM 0 HB ILE A 61 9.224 0.746 1.447 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.351 0.462 3.882 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.264 1.930 3.599 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.382 -0.942 1.347 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.001 -1.681 1.365 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.008 -1.678 2.842 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.961 2.173 2.850 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.078 2.273 1.469 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.151 0.781 1.757 1.00 11.42 H new ATOM 981 N GLN A 62 11.526 -1.785 3.440 1.00 13.97 N ATOM 982 CA GLN A 62 12.509 -2.865 3.146 1.00 15.52 C ATOM 983 C GLN A 62 11.810 -4.256 2.952 1.00 13.94 C ATOM 984 O GLN A 62 10.595 -4.426 3.201 1.00 12.15 O ATOM 985 CB GLN A 62 13.664 -2.929 4.125 1.00 19.53 C ATOM 986 CG GLN A 62 14.429 -1.616 4.407 1.00 26.38 C ATOM 987 CD GLN A 62 14.809 -0.830 3.141 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.264 0.293 2.896 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.707 -1.433 2.343 1.00 32.71 N ATOM 0 H GLN A 62 11.177 -1.811 4.398 1.00 13.97 H new ATOM 0 HA GLN A 62 12.964 -2.595 2.193 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.282 -3.307 5.073 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.380 -3.663 3.755 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.816 -0.981 5.047 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.337 -1.849 4.964 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.100 -2.336 2.609 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.995 -0.988 1.472 1.00 32.71 H new ATOM 998 N LYS A 63 12.494 -5.239 2.338 1.00 11.73 N ATOM 999 CA LYS A 63 12.170 -6.687 2.264 1.00 11.97 C ATOM 1000 C LYS A 63 11.396 -7.256 3.479 1.00 10.41 C ATOM 1001 O LYS A 63 11.827 -7.023 4.588 1.00 9.59 O ATOM 1002 CB LYS A 63 13.422 -7.499 1.969 1.00 13.73 C ATOM 1003 CG LYS A 63 14.554 -7.278 2.994 1.00 16.98 C ATOM 1004 CD LYS A 63 15.780 -8.162 2.766 1.00 20.19 C ATOM 1005 CE LYS A 63 16.619 -8.518 4.006 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.860 -9.986 4.142 1.00 25.97 N ATOM 0 H LYS A 63 13.359 -5.031 1.839 1.00 11.73 H new ATOM 0 HA LYS A 63 11.469 -6.782 1.435 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.163 -8.557 1.948 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.787 -7.241 0.975 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.861 -6.233 2.961 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.165 -7.465 3.995 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.448 -9.091 2.303 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.430 -7.662 2.048 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.577 -8.001 3.951 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.111 -8.154 4.899 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.429 -10.167 4.993 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.949 -10.481 4.223 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.370 -10.333 3.305 1.00 25.97 H new ATOM 1020 N GLU A 64 10.251 -7.904 3.227 1.00 10.04 N ATOM 1021 CA GLU A 64 9.424 -8.458 4.240 1.00 10.94 C ATOM 1022 C GLU A 64 8.657 -7.443 5.036 1.00 9.74 C ATOM 1023 O GLU A 64 7.809 -7.921 5.763 1.00 9.42 O ATOM 1024 CB GLU A 64 10.117 -9.492 5.170 1.00 18.31 C ATOM 1025 CG GLU A 64 10.865 -10.537 4.385 1.00 24.16 C ATOM 1026 CD GLU A 64 11.586 -11.443 5.280 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.626 -11.112 5.892 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.179 -12.620 5.443 1.00 32.61 O ATOM 0 H GLU A 64 9.890 -8.046 2.284 1.00 10.04 H new ATOM 0 HA GLU A 64 8.697 -9.022 3.656 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.807 -8.976 5.837 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.368 -9.975 5.798 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.167 -11.105 3.770 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.568 -10.054 3.706 1.00 24.16 H new ATOM 1035 N SER A 65 8.807 -6.107 4.867 1.00 6.85 N ATOM 1036 CA SER A 65 7.953 -5.086 5.640 1.00 6.90 C ATOM 1037 C SER A 65 6.484 -5.226 5.513 1.00 4.72 C ATOM 1038 O SER A 65 5.900 -5.545 4.479 1.00 3.91 O ATOM 1039 CB SER A 65 8.372 -3.697 5.277 1.00 7.28 C ATOM 1040 OG SER A 65 9.761 -3.368 5.568 1.00 10.56 O ATOM 0 H SER A 65 9.483 -5.689 4.228 1.00 6.85 H new ATOM 0 HA SER A 65 8.151 -5.302 6.690 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.197 -3.549 4.211 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.731 -2.992 5.806 1.00 7.28 H new ATOM 0 HG SER A 65 10.325 -3.632 4.812 1.00 10.56 H new ATOM 1046 N THR A 66 5.907 -4.954 6.694 1.00 4.48 N ATOM 1047 CA THR A 66 4.485 -4.982 6.919 1.00 3.80 C ATOM 1048 C THR A 66 3.740 -3.654 6.650 1.00 4.60 C ATOM 1049 O THR A 66 3.980 -2.703 7.399 1.00 5.33 O ATOM 1050 CB THR A 66 4.082 -5.268 8.386 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.877 -6.243 8.838 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.594 -5.746 8.379 1.00 3.40 C ATOM 0 H THR A 66 6.443 -4.705 7.526 1.00 4.48 H new ATOM 0 HA THR A 66 4.207 -5.769 6.218 1.00 3.80 H new ATOM 0 HB THR A 66 4.182 -4.388 9.021 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.648 -6.447 9.769 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.275 -5.957 9.400 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.963 -4.964 7.956 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.505 -6.650 7.776 1.00 3.40 H new ATOM 1060 N LEU A 67 2.896 -3.585 5.626 1.00 4.17 N ATOM 1061 CA LEU A 67 2.081 -2.480 5.228 1.00 3.85 C ATOM 1062 C LEU A 67 0.725 -2.683 5.775 1.00 3.80 C ATOM 1063 O LEU A 67 0.339 -3.834 5.960 1.00 5.54 O ATOM 1064 CB LEU A 67 2.032 -2.185 3.717 1.00 7.18 C ATOM 1065 CG LEU A 67 3.202 -1.330 3.206 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.581 -1.994 3.416 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.006 -1.056 1.695 1.00 11.66 C ATOM 0 H LEU A 67 2.765 -4.384 5.006 1.00 4.17 H new ATOM 0 HA LEU A 67 2.553 -1.588 5.640 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.022 -3.130 3.173 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.096 -1.675 3.487 1.00 7.18 H new ATOM 0 HG LEU A 67 3.197 -0.407 3.785 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.363 -1.338 3.033 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.742 -2.169 4.480 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.612 -2.944 2.883 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.833 -0.450 1.325 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.979 -2.002 1.154 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.068 -0.523 1.541 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.076 -1.624 6.001 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.340 -1.637 6.640 1.00 4.17 C ATOM 1081 C HIS A 68 -2.299 -1.081 5.585 1.00 5.32 C ATOM 1082 O HIS A 68 -1.946 -0.128 4.874 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.373 -0.673 7.876 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.518 -1.296 8.884 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.835 -1.383 8.887 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.953 -1.755 10.039 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.194 -2.018 10.034 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.115 -2.286 10.800 1.00 16.30 N ATOM 0 H HIS A 68 0.193 -0.685 5.708 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.588 -2.637 6.997 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.006 0.318 7.610 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.390 -0.547 8.248 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.984 -1.730 10.361 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.209 -2.275 10.298 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.079 -2.756 11.705 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.425 -1.749 5.326 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.365 -1.315 4.311 1.00 3.97 C ATOM 1098 C LEU A 69 -5.646 -0.869 4.991 1.00 5.07 C ATOM 1099 O LEU A 69 -6.245 -1.601 5.787 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.637 -2.446 3.314 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.596 -2.273 2.191 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.003 -1.284 1.174 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.067 -3.465 1.338 1.00 9.96 C ATOM 0 H LEU A 69 -3.703 -2.600 5.815 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.945 -0.479 3.752 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.678 -2.718 2.873 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.977 -3.305 3.893 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.480 -1.971 2.752 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.700 -1.151 0.347 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.829 -0.324 1.659 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.059 -1.675 0.794 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.763 -3.115 0.576 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.207 -3.931 0.857 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.565 -4.195 1.976 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.100 0.371 4.772 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.291 0.945 5.424 1.00 6.26 C ATOM 1117 C VAL A 70 -8.180 1.630 4.413 1.00 9.22 C ATOM 1118 O VAL A 70 -7.864 1.904 3.280 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.079 1.894 6.559 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.235 1.113 7.632 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.270 3.161 6.129 1.00 8.54 C ATOM 0 H VAL A 70 -5.645 1.017 4.127 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.748 0.061 5.869 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.045 2.234 6.932 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.048 1.760 8.489 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.786 0.231 7.957 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.285 0.806 7.195 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.142 3.820 6.988 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.292 2.859 5.755 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.811 3.689 5.344 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.469 1.878 4.752 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.415 2.444 3.831 1.00 16.06 C ATOM 1133 C LEU A 71 -10.213 3.932 3.568 1.00 18.09 C ATOM 1134 O LEU A 71 -9.737 4.744 4.391 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.813 2.221 4.390 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.050 2.872 3.671 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.175 2.413 2.210 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.308 2.526 4.540 1.00 19.57 C ATOM 0 H LEU A 71 -9.856 1.683 5.675 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.269 1.945 2.873 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.984 1.145 4.422 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.812 2.574 5.421 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.938 3.954 3.600 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.043 2.888 1.753 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.276 2.695 1.662 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.295 1.330 2.178 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.197 2.958 4.081 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.421 1.444 4.602 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.182 2.936 5.542 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.578 4.444 2.323 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.421 5.833 1.894 1.00 25.83 C ATOM 1152 C ARG A 72 -11.730 6.219 1.285 1.00 27.74 C ATOM 1153 O ARG A 72 -12.464 5.515 0.599 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.314 6.055 0.888 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.121 7.525 0.463 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.351 7.807 -0.830 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.093 9.255 -0.901 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.084 9.812 -1.517 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.314 9.230 -2.382 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.785 11.107 -1.243 1.00 35.02 N ATOM 0 H ARG A 72 -10.996 3.857 1.601 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.143 6.437 2.758 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.379 5.686 1.309 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.522 5.458 0.000 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.108 7.977 0.368 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -8.610 8.042 1.275 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.413 7.252 -0.843 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.927 7.480 -1.695 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.755 9.873 -0.432 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.474 8.254 -2.632 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.548 9.748 -2.813 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.344 11.627 -0.567 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.001 11.560 -1.713 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.229 7.420 1.576 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.545 7.938 1.253 1.00 30.76 C ATOM 1176 C LEU A 73 -13.291 9.273 0.571 1.00 32.18 C ATOM 1177 O LEU A 73 -12.310 9.914 0.877 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.407 8.142 2.481 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.675 6.911 3.420 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.610 7.376 4.577 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.333 5.790 2.625 1.00 29.11 C ATOM 0 H LEU A 73 -11.672 8.107 2.085 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.088 7.233 0.624 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.946 8.925 3.084 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.373 8.522 2.149 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.738 6.534 3.830 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.810 6.536 5.243 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.126 8.176 5.137 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.549 7.741 4.161 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.517 4.939 3.280 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.279 6.142 2.214 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.675 5.486 1.811 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.226 9.754 -0.290 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.179 11.078 -0.870 1.00 35.33 C ATOM 1195 C ARG A 74 -14.058 12.186 0.239 1.00 36.22 C ATOM 1196 O ARG A 74 -14.608 12.241 1.367 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.366 11.354 -1.870 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.452 10.384 -2.999 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.260 10.528 -3.948 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.502 9.453 -4.981 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.667 9.114 -5.981 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.460 9.694 -6.111 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.989 8.159 -6.849 1.00 41.93 N ATOM 0 H ARG A 74 -15.034 9.209 -0.590 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.273 11.124 -1.474 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.305 11.334 -1.316 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.257 12.359 -2.277 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.486 9.368 -2.606 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.379 10.544 -3.549 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.224 11.519 -4.400 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.313 10.380 -3.429 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.379 8.936 -4.915 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.162 10.406 -5.444 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.843 9.422 -6.876 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.881 7.671 -6.763 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.344 7.915 -7.601 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.201 13.182 -0.162 1.00 36.31 N ATOM 1218 CA GLY A 75 -12.876 14.350 0.593 1.00 36.07 C ATOM 1219 C GLY A 75 -11.727 14.079 1.622 1.00 36.16 C ATOM 1220 O GLY A 75 -11.428 14.803 2.599 1.00 36.26 O ATOM 0 H GLY A 75 -12.721 13.151 -1.062 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -12.575 15.149 -0.085 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -13.763 14.699 1.122 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.016 12.913 1.422 1.00 36.05 N ATOM 1225 CA GLY A 76 -9.744 12.697 2.133 1.00 36.19 C ATOM 1226 C GLY A 76 -8.789 11.968 1.256 1.00 36.20 C ATOM 1227 O GLY A 76 -7.807 12.521 0.762 1.00 0.00 O ATOM 1228 OXT GLY A 76 -8.970 10.747 1.024 1.00 0.00 O ATOM 0 H GLY A 76 -11.302 12.155 0.802 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.318 13.655 2.432 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -9.920 12.128 3.046 1.00 36.19 H new TER 1232 GLY A 76