USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0825 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 34:sc= 0.203 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.925 K(o=-0.93,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.25) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -130:sc= -1.21 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 65:sc= 0.541 USER MOD Single : A 51 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -82:sc= 0.889 USER MOD Single : A 76 THR OG1 : rot -55:sc= 1.11 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.103) USER MOD Single : A 82 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.064) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.153 K(o=0.15,f=-3.9) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.591 X(o=-0.59,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.110 -6.076 -2.765 1.00 1.90 N ATOM 2 CA MET A 1 2.444 -4.810 -2.362 1.00 1.07 C ATOM 3 C MET A 1 0.985 -4.779 -2.813 1.00 1.17 C ATOM 4 O MET A 1 0.533 -5.649 -3.559 1.00 2.21 O ATOM 5 CB MET A 1 3.210 -3.638 -2.982 1.00 1.99 C ATOM 6 CG MET A 1 4.428 -3.209 -2.174 1.00 2.46 C ATOM 7 SD MET A 1 5.860 -2.819 -3.202 1.00 3.29 S ATOM 8 CE MET A 1 7.148 -3.732 -2.351 1.00 4.04 C ATOM 0 H1 MET A 1 3.342 -6.631 -1.917 1.00 1.90 H new ATOM 0 H2 MET A 1 2.471 -6.625 -3.375 1.00 1.90 H new ATOM 0 H3 MET A 1 3.983 -5.858 -3.286 1.00 1.90 H new ATOM 0 HA MET A 1 2.452 -4.736 -1.275 1.00 1.07 H new ATOM 0 HB2 MET A 1 3.530 -3.915 -3.986 1.00 1.99 H new ATOM 0 HB3 MET A 1 2.535 -2.788 -3.085 1.00 1.99 H new ATOM 0 HG2 MET A 1 4.170 -2.336 -1.575 1.00 2.46 H new ATOM 0 HG3 MET A 1 4.694 -4.005 -1.479 1.00 2.46 H new ATOM 0 HE1 MET A 1 8.097 -3.590 -2.868 1.00 4.04 H new ATOM 0 HE2 MET A 1 7.235 -3.369 -1.327 1.00 4.04 H new ATOM 0 HE3 MET A 1 6.896 -4.792 -2.340 1.00 4.04 H new ATOM 20 N VAL A 2 0.258 -3.768 -2.353 1.00 0.43 N ATOM 21 CA VAL A 2 -1.150 -3.605 -2.698 1.00 0.35 C ATOM 22 C VAL A 2 -1.304 -3.200 -4.163 1.00 0.29 C ATOM 23 O VAL A 2 -0.437 -2.514 -4.707 1.00 0.30 O ATOM 24 CB VAL A 2 -1.799 -2.546 -1.780 1.00 0.40 C ATOM 25 CG1 VAL A 2 -3.265 -2.298 -2.160 1.00 0.33 C ATOM 26 CG2 VAL A 2 -1.646 -2.976 -0.316 1.00 0.49 C ATOM 0 H VAL A 2 0.623 -3.043 -1.735 1.00 0.43 H new ATOM 0 HA VAL A 2 -1.655 -4.560 -2.552 1.00 0.35 H new ATOM 0 HB VAL A 2 -1.284 -1.595 -1.913 1.00 0.40 H new ATOM 0 HG11 VAL A 2 -3.691 -1.548 -1.494 1.00 0.33 H new ATOM 0 HG12 VAL A 2 -3.319 -1.943 -3.189 1.00 0.33 H new ATOM 0 HG13 VAL A 2 -3.827 -3.227 -2.067 1.00 0.33 H new ATOM 0 HG21 VAL A 2 -2.104 -2.229 0.332 1.00 0.49 H new ATOM 0 HG22 VAL A 2 -2.138 -3.937 -0.166 1.00 0.49 H new ATOM 0 HG23 VAL A 2 -0.588 -3.068 -0.073 1.00 0.49 H new ATOM 36 N LYS A 3 -2.394 -3.630 -4.818 1.00 0.25 N ATOM 37 CA LYS A 3 -2.583 -3.292 -6.219 1.00 0.25 C ATOM 38 C LYS A 3 -4.042 -2.995 -6.522 1.00 0.23 C ATOM 39 O LYS A 3 -4.936 -3.778 -6.223 1.00 0.24 O ATOM 40 CB LYS A 3 -2.076 -4.418 -7.134 1.00 0.32 C ATOM 41 CG LYS A 3 -2.291 -5.816 -6.581 1.00 0.40 C ATOM 42 CD LYS A 3 -1.748 -6.871 -7.528 1.00 0.88 C ATOM 43 CE LYS A 3 -0.370 -7.337 -7.096 1.00 1.29 C ATOM 44 NZ LYS A 3 0.257 -8.221 -8.115 1.00 1.64 N ATOM 0 H LYS A 3 -3.135 -4.197 -4.405 1.00 0.25 H new ATOM 0 HA LYS A 3 -1.999 -2.393 -6.416 1.00 0.25 H new ATOM 0 HB2 LYS A 3 -2.578 -4.340 -8.099 1.00 0.32 H new ATOM 0 HB3 LYS A 3 -1.011 -4.271 -7.316 1.00 0.32 H new ATOM 0 HG2 LYS A 3 -1.800 -5.906 -5.612 1.00 0.40 H new ATOM 0 HG3 LYS A 3 -3.355 -5.985 -6.416 1.00 0.40 H new ATOM 0 HD2 LYS A 3 -2.429 -7.721 -7.559 1.00 0.88 H new ATOM 0 HD3 LYS A 3 -1.698 -6.466 -8.539 1.00 0.88 H new ATOM 0 HE2 LYS A 3 0.269 -6.471 -6.923 1.00 1.29 H new ATOM 0 HE3 LYS A 3 -0.447 -7.871 -6.149 1.00 1.29 H new ATOM 0 HZ1 LYS A 3 1.197 -8.519 -7.785 1.00 1.64 H new ATOM 0 HZ2 LYS A 3 -0.340 -9.059 -8.262 1.00 1.64 H new ATOM 0 HZ3 LYS A 3 0.353 -7.703 -9.012 1.00 1.64 H new ATOM 58 N GLN A 4 -4.251 -1.833 -7.102 1.00 0.23 N ATOM 59 CA GLN A 4 -5.575 -1.359 -7.460 1.00 0.23 C ATOM 60 C GLN A 4 -6.056 -2.029 -8.752 1.00 0.20 C ATOM 61 O GLN A 4 -5.390 -1.936 -9.788 1.00 0.22 O ATOM 62 CB GLN A 4 -5.496 0.157 -7.626 1.00 0.26 C ATOM 63 CG GLN A 4 -6.819 0.831 -7.960 1.00 0.30 C ATOM 64 CD GLN A 4 -7.261 1.763 -6.858 1.00 0.92 C ATOM 65 OE1 GLN A 4 -6.712 2.853 -6.699 1.00 2.05 O ATOM 66 NE2 GLN A 4 -8.235 1.334 -6.068 1.00 0.81 N ATOM 0 H GLN A 4 -3.502 -1.183 -7.341 1.00 0.23 H new ATOM 0 HA GLN A 4 -6.294 -1.612 -6.681 1.00 0.23 H new ATOM 0 HB2 GLN A 4 -5.106 0.590 -6.705 1.00 0.26 H new ATOM 0 HB3 GLN A 4 -4.779 0.385 -8.414 1.00 0.26 H new ATOM 0 HG2 GLN A 4 -6.719 1.389 -8.891 1.00 0.30 H new ATOM 0 HG3 GLN A 4 -7.584 0.072 -8.124 1.00 0.30 H new ATOM 0 HE21 GLN A 4 -8.663 0.423 -6.235 1.00 0.81 H new ATOM 0 HE22 GLN A 4 -8.556 1.914 -5.293 1.00 0.81 H new ATOM 75 N ILE A 5 -7.197 -2.715 -8.694 1.00 0.18 N ATOM 76 CA ILE A 5 -7.728 -3.402 -9.868 1.00 0.16 C ATOM 77 C ILE A 5 -8.898 -2.647 -10.467 1.00 0.17 C ATOM 78 O ILE A 5 -9.969 -2.567 -9.869 1.00 0.18 O ATOM 79 CB ILE A 5 -8.181 -4.847 -9.544 1.00 0.14 C ATOM 80 CG1 ILE A 5 -6.977 -5.714 -9.231 1.00 0.16 C ATOM 81 CG2 ILE A 5 -8.946 -5.466 -10.704 1.00 0.14 C ATOM 82 CD1 ILE A 5 -6.408 -5.469 -7.875 1.00 0.19 C ATOM 0 H ILE A 5 -7.767 -2.809 -7.853 1.00 0.18 H new ATOM 0 HA ILE A 5 -6.911 -3.443 -10.588 1.00 0.16 H new ATOM 0 HB ILE A 5 -8.841 -4.795 -8.678 1.00 0.14 H new ATOM 0 HG12 ILE A 5 -7.262 -6.763 -9.313 1.00 0.16 H new ATOM 0 HG13 ILE A 5 -6.205 -5.534 -9.979 1.00 0.16 H new ATOM 0 HG21 ILE A 5 -9.248 -6.480 -10.441 1.00 0.14 H new ATOM 0 HG22 ILE A 5 -9.832 -4.867 -10.917 1.00 0.14 H new ATOM 0 HG23 ILE A 5 -8.307 -5.495 -11.587 1.00 0.14 H new ATOM 0 HD11 ILE A 5 -5.550 -6.122 -7.717 1.00 0.19 H new ATOM 0 HD12 ILE A 5 -6.092 -4.429 -7.796 1.00 0.19 H new ATOM 0 HD13 ILE A 5 -7.166 -5.676 -7.120 1.00 0.19 H new ATOM 94 N GLU A 6 -8.691 -2.098 -11.651 1.00 0.18 N ATOM 95 CA GLU A 6 -9.738 -1.357 -12.328 1.00 0.21 C ATOM 96 C GLU A 6 -10.434 -2.196 -13.400 1.00 0.20 C ATOM 97 O GLU A 6 -11.071 -1.655 -14.301 1.00 0.22 O ATOM 98 CB GLU A 6 -9.169 -0.088 -12.938 1.00 0.25 C ATOM 99 CG GLU A 6 -9.277 1.119 -12.020 1.00 0.43 C ATOM 100 CD GLU A 6 -8.108 2.069 -12.175 1.00 0.86 C ATOM 101 OE1 GLU A 6 -7.648 2.264 -13.320 1.00 1.46 O ATOM 102 OE2 GLU A 6 -7.650 2.614 -11.149 1.00 1.63 O ATOM 0 H GLU A 6 -7.810 -2.152 -12.162 1.00 0.18 H new ATOM 0 HA GLU A 6 -10.489 -1.095 -11.583 1.00 0.21 H new ATOM 0 HB2 GLU A 6 -8.121 -0.252 -13.190 1.00 0.25 H new ATOM 0 HB3 GLU A 6 -9.692 0.125 -13.871 1.00 0.25 H new ATOM 0 HG2 GLU A 6 -10.204 1.651 -12.232 1.00 0.43 H new ATOM 0 HG3 GLU A 6 -9.332 0.781 -10.985 1.00 0.43 H new ATOM 109 N SER A 7 -10.305 -3.513 -13.308 1.00 0.18 N ATOM 110 CA SER A 7 -10.923 -4.399 -14.289 1.00 0.19 C ATOM 111 C SER A 7 -11.179 -5.774 -13.687 1.00 0.20 C ATOM 112 O SER A 7 -10.566 -6.140 -12.686 1.00 0.24 O ATOM 113 CB SER A 7 -10.034 -4.526 -15.532 1.00 0.19 C ATOM 114 OG SER A 7 -10.409 -3.594 -16.535 1.00 0.96 O ATOM 0 H SER A 7 -9.783 -3.989 -12.572 1.00 0.18 H new ATOM 0 HA SER A 7 -11.879 -3.966 -14.583 1.00 0.19 H new ATOM 0 HB2 SER A 7 -8.992 -4.364 -15.254 1.00 0.19 H new ATOM 0 HB3 SER A 7 -10.104 -5.538 -15.930 1.00 0.19 H new ATOM 0 HG SER A 7 -10.725 -2.768 -16.112 1.00 0.96 H new ATOM 120 N LYS A 8 -12.080 -6.538 -14.301 1.00 0.19 N ATOM 121 CA LYS A 8 -12.401 -7.873 -13.819 1.00 0.21 C ATOM 122 C LYS A 8 -11.315 -8.867 -14.220 1.00 0.22 C ATOM 123 O LYS A 8 -11.158 -9.919 -13.602 1.00 0.24 O ATOM 124 CB LYS A 8 -13.764 -8.311 -14.356 1.00 0.24 C ATOM 125 CG LYS A 8 -14.180 -9.705 -13.922 1.00 0.28 C ATOM 126 CD LYS A 8 -14.826 -10.481 -15.061 1.00 0.48 C ATOM 127 CE LYS A 8 -13.790 -11.135 -15.966 1.00 0.90 C ATOM 128 NZ LYS A 8 -14.366 -12.259 -16.762 1.00 1.48 N ATOM 0 H LYS A 8 -12.598 -6.253 -15.132 1.00 0.19 H new ATOM 0 HA LYS A 8 -12.448 -7.849 -12.730 1.00 0.21 H new ATOM 0 HB2 LYS A 8 -14.519 -7.598 -14.025 1.00 0.24 H new ATOM 0 HB3 LYS A 8 -13.744 -8.272 -15.445 1.00 0.24 H new ATOM 0 HG2 LYS A 8 -13.307 -10.249 -13.560 1.00 0.28 H new ATOM 0 HG3 LYS A 8 -14.879 -9.633 -13.089 1.00 0.28 H new ATOM 0 HD2 LYS A 8 -15.484 -11.247 -14.650 1.00 0.48 H new ATOM 0 HD3 LYS A 8 -15.449 -9.808 -15.650 1.00 0.48 H new ATOM 0 HE2 LYS A 8 -13.377 -10.387 -16.643 1.00 0.90 H new ATOM 0 HE3 LYS A 8 -12.964 -11.507 -15.360 1.00 0.90 H new ATOM 0 HZ1 LYS A 8 -13.626 -12.674 -17.363 1.00 1.48 H new ATOM 0 HZ2 LYS A 8 -14.737 -12.986 -16.118 1.00 1.48 H new ATOM 0 HZ3 LYS A 8 -15.137 -11.901 -17.361 1.00 1.48 H new ATOM 142 N THR A 9 -10.555 -8.517 -15.248 1.00 0.21 N ATOM 143 CA THR A 9 -9.475 -9.370 -15.711 1.00 0.23 C ATOM 144 C THR A 9 -8.261 -9.196 -14.806 1.00 0.22 C ATOM 145 O THR A 9 -7.499 -10.134 -14.579 1.00 0.24 O ATOM 146 CB THR A 9 -9.109 -9.023 -17.152 1.00 0.23 C ATOM 147 OG1 THR A 9 -10.258 -9.058 -17.986 1.00 0.79 O ATOM 148 CG2 THR A 9 -8.080 -9.964 -17.734 1.00 0.67 C ATOM 0 H THR A 9 -10.667 -7.651 -15.774 1.00 0.21 H new ATOM 0 HA THR A 9 -9.802 -10.409 -15.676 1.00 0.23 H new ATOM 0 HB THR A 9 -8.687 -8.019 -17.119 1.00 0.23 H new ATOM 0 HG1 THR A 9 -10.003 -8.831 -18.905 1.00 0.79 H new ATOM 0 HG21 THR A 9 -7.857 -9.670 -18.760 1.00 0.67 H new ATOM 0 HG22 THR A 9 -7.168 -9.920 -17.138 1.00 0.67 H new ATOM 0 HG23 THR A 9 -8.471 -10.981 -17.725 1.00 0.67 H new ATOM 156 N ALA A 10 -8.112 -7.984 -14.279 1.00 0.20 N ATOM 157 CA ALA A 10 -7.018 -7.653 -13.382 1.00 0.20 C ATOM 158 C ALA A 10 -7.164 -8.383 -12.046 1.00 0.24 C ATOM 159 O ALA A 10 -6.181 -8.868 -11.482 1.00 0.26 O ATOM 160 CB ALA A 10 -6.978 -6.145 -13.173 1.00 0.18 C ATOM 0 H ALA A 10 -8.747 -7.207 -14.464 1.00 0.20 H new ATOM 0 HA ALA A 10 -6.080 -7.978 -13.831 1.00 0.20 H new ATOM 0 HB1 ALA A 10 -6.158 -5.893 -12.500 1.00 0.18 H new ATOM 0 HB2 ALA A 10 -6.827 -5.649 -14.132 1.00 0.18 H new ATOM 0 HB3 ALA A 10 -7.920 -5.813 -12.737 1.00 0.18 H new ATOM 166 N PHE A 11 -8.406 -8.487 -11.564 1.00 0.26 N ATOM 167 CA PHE A 11 -8.705 -9.176 -10.308 1.00 0.32 C ATOM 168 C PHE A 11 -8.232 -10.615 -10.369 1.00 0.28 C ATOM 169 O PHE A 11 -7.549 -11.092 -9.464 1.00 0.30 O ATOM 170 CB PHE A 11 -10.211 -9.126 -10.025 1.00 0.42 C ATOM 171 CG PHE A 11 -10.573 -9.470 -8.611 1.00 0.55 C ATOM 172 CD1 PHE A 11 -9.987 -8.803 -7.548 1.00 0.41 C ATOM 173 CD2 PHE A 11 -11.497 -10.467 -8.343 1.00 1.11 C ATOM 174 CE1 PHE A 11 -10.314 -9.124 -6.246 1.00 0.56 C ATOM 175 CE2 PHE A 11 -11.829 -10.792 -7.043 1.00 1.25 C ATOM 176 CZ PHE A 11 -11.237 -10.119 -5.993 1.00 0.88 C ATOM 0 H PHE A 11 -9.226 -8.099 -12.030 1.00 0.26 H new ATOM 0 HA PHE A 11 -8.177 -8.671 -9.499 1.00 0.32 H new ATOM 0 HB2 PHE A 11 -10.581 -8.126 -10.252 1.00 0.42 H new ATOM 0 HB3 PHE A 11 -10.721 -9.815 -10.699 1.00 0.42 H new ATOM 0 HD1 PHE A 11 -9.266 -8.023 -7.740 1.00 0.41 H new ATOM 0 HD2 PHE A 11 -11.963 -10.996 -9.161 1.00 1.11 H new ATOM 0 HE1 PHE A 11 -9.848 -8.597 -5.426 1.00 0.56 H new ATOM 0 HE2 PHE A 11 -12.551 -11.571 -6.848 1.00 1.25 H new ATOM 0 HZ PHE A 11 -11.496 -10.371 -4.975 1.00 0.88 H new ATOM 186 N GLN A 12 -8.568 -11.298 -11.453 1.00 0.26 N ATOM 187 CA GLN A 12 -8.139 -12.678 -11.626 1.00 0.27 C ATOM 188 C GLN A 12 -6.620 -12.734 -11.722 1.00 0.27 C ATOM 189 O GLN A 12 -5.986 -13.657 -11.209 1.00 0.28 O ATOM 190 CB GLN A 12 -8.770 -13.283 -12.879 1.00 0.31 C ATOM 191 CG GLN A 12 -10.260 -13.011 -12.999 1.00 0.35 C ATOM 192 CD GLN A 12 -11.119 -14.140 -12.463 1.00 0.61 C ATOM 193 OE1 GLN A 12 -12.054 -14.587 -13.129 1.00 1.21 O ATOM 194 NE2 GLN A 12 -10.815 -14.600 -11.254 1.00 1.06 N ATOM 0 H GLN A 12 -9.130 -10.925 -12.218 1.00 0.26 H new ATOM 0 HA GLN A 12 -8.466 -13.259 -10.764 1.00 0.27 H new ATOM 0 HB2 GLN A 12 -8.264 -12.886 -13.759 1.00 0.31 H new ATOM 0 HB3 GLN A 12 -8.605 -14.360 -12.876 1.00 0.31 H new ATOM 0 HG2 GLN A 12 -10.500 -12.094 -12.461 1.00 0.35 H new ATOM 0 HG3 GLN A 12 -10.508 -12.840 -14.047 1.00 0.35 H new ATOM 0 HE21 GLN A 12 -10.031 -14.200 -10.738 1.00 1.06 H new ATOM 0 HE22 GLN A 12 -11.365 -15.354 -10.842 1.00 1.06 H new ATOM 203 N GLU A 13 -6.046 -11.731 -12.382 1.00 0.29 N ATOM 204 CA GLU A 13 -4.602 -11.638 -12.566 1.00 0.31 C ATOM 205 C GLU A 13 -3.863 -11.551 -11.231 1.00 0.31 C ATOM 206 O GLU A 13 -2.875 -12.254 -11.012 1.00 0.33 O ATOM 207 CB GLU A 13 -4.270 -10.410 -13.411 1.00 0.35 C ATOM 208 CG GLU A 13 -4.080 -10.711 -14.887 1.00 0.75 C ATOM 209 CD GLU A 13 -3.793 -9.460 -15.699 1.00 0.84 C ATOM 210 OE1 GLU A 13 -2.839 -8.732 -15.351 1.00 1.53 O ATOM 211 OE2 GLU A 13 -4.525 -9.207 -16.679 1.00 1.31 O ATOM 0 H GLU A 13 -6.568 -10.962 -12.803 1.00 0.29 H new ATOM 0 HA GLU A 13 -4.273 -12.545 -13.074 1.00 0.31 H new ATOM 0 HB2 GLU A 13 -5.070 -9.678 -13.300 1.00 0.35 H new ATOM 0 HB3 GLU A 13 -3.361 -9.950 -13.024 1.00 0.35 H new ATOM 0 HG2 GLU A 13 -3.258 -11.417 -15.009 1.00 0.75 H new ATOM 0 HG3 GLU A 13 -4.976 -11.195 -15.275 1.00 0.75 H new ATOM 218 N ALA A 14 -4.346 -10.686 -10.344 1.00 0.30 N ATOM 219 CA ALA A 14 -3.733 -10.504 -9.035 1.00 0.31 C ATOM 220 C ALA A 14 -3.916 -11.747 -8.180 1.00 0.31 C ATOM 221 O ALA A 14 -3.045 -12.103 -7.388 1.00 0.31 O ATOM 222 CB ALA A 14 -4.331 -9.283 -8.348 1.00 0.32 C ATOM 0 H ALA A 14 -5.163 -10.099 -10.510 1.00 0.30 H new ATOM 0 HA ALA A 14 -2.663 -10.342 -9.167 1.00 0.31 H new ATOM 0 HB1 ALA A 14 -3.868 -9.153 -7.370 1.00 0.32 H new ATOM 0 HB2 ALA A 14 -4.149 -8.397 -8.957 1.00 0.32 H new ATOM 0 HB3 ALA A 14 -5.405 -9.424 -8.225 1.00 0.32 H new ATOM 228 N LEU A 15 -5.053 -12.408 -8.351 1.00 0.30 N ATOM 229 CA LEU A 15 -5.349 -13.617 -7.600 1.00 0.31 C ATOM 230 C LEU A 15 -4.375 -14.742 -7.969 1.00 0.33 C ATOM 231 O LEU A 15 -3.875 -15.457 -7.095 1.00 0.34 O ATOM 232 CB LEU A 15 -6.787 -14.058 -7.866 1.00 0.31 C ATOM 233 CG LEU A 15 -7.860 -13.330 -7.058 1.00 0.34 C ATOM 234 CD1 LEU A 15 -9.241 -13.697 -7.582 1.00 0.40 C ATOM 235 CD2 LEU A 15 -7.734 -13.674 -5.580 1.00 0.44 C ATOM 0 H LEU A 15 -5.784 -12.126 -9.004 1.00 0.30 H new ATOM 0 HA LEU A 15 -5.232 -13.399 -6.538 1.00 0.31 H new ATOM 0 HB2 LEU A 15 -7.000 -13.921 -8.926 1.00 0.31 H new ATOM 0 HB3 LEU A 15 -6.865 -15.126 -7.661 1.00 0.31 H new ATOM 0 HG LEU A 15 -7.721 -12.255 -7.169 1.00 0.34 H new ATOM 0 HD11 LEU A 15 -10.001 -13.174 -7.001 1.00 0.40 H new ATOM 0 HD12 LEU A 15 -9.322 -13.407 -8.630 1.00 0.40 H new ATOM 0 HD13 LEU A 15 -9.391 -14.773 -7.491 1.00 0.40 H new ATOM 0 HD21 LEU A 15 -8.505 -13.148 -5.017 1.00 0.44 H new ATOM 0 HD22 LEU A 15 -7.856 -14.749 -5.445 1.00 0.44 H new ATOM 0 HD23 LEU A 15 -6.751 -13.372 -5.219 1.00 0.44 H new ATOM 247 N ASP A 16 -4.091 -14.878 -9.264 1.00 0.34 N ATOM 248 CA ASP A 16 -3.167 -15.901 -9.736 1.00 0.36 C ATOM 249 C ASP A 16 -1.781 -15.663 -9.152 1.00 0.33 C ATOM 250 O ASP A 16 -1.029 -16.605 -8.896 1.00 0.29 O ATOM 251 CB ASP A 16 -3.095 -15.881 -11.265 1.00 0.40 C ATOM 252 CG ASP A 16 -4.089 -16.830 -11.898 1.00 0.94 C ATOM 253 OD1 ASP A 16 -3.944 -18.056 -11.703 1.00 1.45 O ATOM 254 OD2 ASP A 16 -5.015 -16.349 -12.582 1.00 1.72 O ATOM 0 H ASP A 16 -4.487 -14.294 -10.000 1.00 0.34 H new ATOM 0 HA ASP A 16 -3.529 -16.876 -9.410 1.00 0.36 H new ATOM 0 HB2 ASP A 16 -3.284 -14.869 -11.622 1.00 0.40 H new ATOM 0 HB3 ASP A 16 -2.087 -16.148 -11.583 1.00 0.40 H new ATOM 259 N ALA A 17 -1.471 -14.394 -8.905 1.00 0.34 N ATOM 260 CA ALA A 17 -0.192 -14.018 -8.325 1.00 0.32 C ATOM 261 C ALA A 17 -0.173 -14.303 -6.824 1.00 0.24 C ATOM 262 O ALA A 17 0.891 -14.475 -6.225 1.00 0.36 O ATOM 263 CB ALA A 17 0.092 -12.547 -8.600 1.00 0.48 C ATOM 0 H ALA A 17 -2.092 -13.609 -9.099 1.00 0.34 H new ATOM 0 HA ALA A 17 0.592 -14.617 -8.789 1.00 0.32 H new ATOM 0 HB1 ALA A 17 1.052 -12.274 -8.162 1.00 0.48 H new ATOM 0 HB2 ALA A 17 0.123 -12.377 -9.676 1.00 0.48 H new ATOM 0 HB3 ALA A 17 -0.695 -11.936 -8.159 1.00 0.48 H new ATOM 269 N ALA A 18 -1.362 -14.379 -6.226 1.00 0.34 N ATOM 270 CA ALA A 18 -1.494 -14.666 -4.807 1.00 0.44 C ATOM 271 C ALA A 18 -1.107 -16.095 -4.506 1.00 0.34 C ATOM 272 O ALA A 18 -0.546 -16.370 -3.446 1.00 0.73 O ATOM 273 CB ALA A 18 -2.905 -14.394 -4.327 1.00 0.66 C ATOM 0 H ALA A 18 -2.250 -14.244 -6.710 1.00 0.34 H new ATOM 0 HA ALA A 18 -0.814 -14.004 -4.271 1.00 0.44 H new ATOM 0 HB1 ALA A 18 -2.976 -14.617 -3.262 1.00 0.66 H new ATOM 0 HB2 ALA A 18 -3.151 -13.346 -4.496 1.00 0.66 H new ATOM 0 HB3 ALA A 18 -3.604 -15.024 -4.877 1.00 0.66 H new ATOM 279 N GLY A 19 -1.385 -17.018 -5.433 1.00 0.38 N ATOM 280 CA GLY A 19 -1.021 -18.396 -5.213 1.00 0.54 C ATOM 281 C GLY A 19 -1.695 -19.003 -4.004 1.00 0.53 C ATOM 282 O GLY A 19 -2.922 -18.981 -3.891 1.00 1.05 O ATOM 0 H GLY A 19 -1.851 -16.829 -6.320 1.00 0.38 H new ATOM 0 HA2 GLY A 19 -1.280 -18.979 -6.097 1.00 0.54 H new ATOM 0 HA3 GLY A 19 0.060 -18.465 -5.091 1.00 0.54 H new ATOM 286 N ASP A 20 -0.892 -19.546 -3.097 1.00 0.36 N ATOM 287 CA ASP A 20 -1.412 -20.173 -1.889 1.00 0.30 C ATOM 288 C ASP A 20 -1.509 -19.179 -0.739 1.00 0.31 C ATOM 289 O ASP A 20 -1.802 -19.554 0.391 1.00 0.35 O ATOM 290 CB ASP A 20 -0.519 -21.339 -1.478 1.00 0.38 C ATOM 291 CG ASP A 20 -1.174 -22.222 -0.436 1.00 1.54 C ATOM 292 OD1 ASP A 20 -1.937 -23.131 -0.826 1.00 2.40 O ATOM 293 OD2 ASP A 20 -0.926 -22.002 0.767 1.00 2.23 O ATOM 0 H ASP A 20 0.125 -19.564 -3.176 1.00 0.36 H new ATOM 0 HA ASP A 20 -2.415 -20.536 -2.112 1.00 0.30 H new ATOM 0 HB2 ASP A 20 -0.276 -21.936 -2.357 1.00 0.38 H new ATOM 0 HB3 ASP A 20 0.422 -20.953 -1.085 1.00 0.38 H new ATOM 298 N LYS A 21 -1.267 -17.913 -1.031 1.00 0.31 N ATOM 299 CA LYS A 21 -1.337 -16.873 -0.025 1.00 0.34 C ATOM 300 C LYS A 21 -2.778 -16.426 0.176 1.00 0.30 C ATOM 301 O LYS A 21 -3.585 -16.494 -0.749 1.00 0.30 O ATOM 302 CB LYS A 21 -0.471 -15.697 -0.447 1.00 0.38 C ATOM 303 CG LYS A 21 0.984 -16.082 -0.644 1.00 0.43 C ATOM 304 CD LYS A 21 1.798 -14.932 -1.202 1.00 0.56 C ATOM 305 CE LYS A 21 3.289 -15.189 -1.047 1.00 0.67 C ATOM 306 NZ LYS A 21 4.082 -14.500 -2.099 1.00 1.54 N ATOM 0 H LYS A 21 -1.019 -17.581 -1.963 1.00 0.31 H new ATOM 0 HA LYS A 21 -0.967 -17.267 0.922 1.00 0.34 H new ATOM 0 HB2 LYS A 21 -0.861 -15.279 -1.375 1.00 0.38 H new ATOM 0 HB3 LYS A 21 -0.536 -14.914 0.308 1.00 0.38 H new ATOM 0 HG2 LYS A 21 1.408 -16.400 0.308 1.00 0.43 H new ATOM 0 HG3 LYS A 21 1.046 -16.934 -1.321 1.00 0.43 H new ATOM 0 HD2 LYS A 21 1.558 -14.791 -2.256 1.00 0.56 H new ATOM 0 HD3 LYS A 21 1.530 -14.009 -0.687 1.00 0.56 H new ATOM 0 HE2 LYS A 21 3.616 -14.849 -0.064 1.00 0.67 H new ATOM 0 HE3 LYS A 21 3.479 -16.261 -1.093 1.00 0.67 H new ATOM 0 HZ1 LYS A 21 5.093 -14.700 -1.959 1.00 1.54 H new ATOM 0 HZ2 LYS A 21 3.788 -14.843 -3.036 1.00 1.54 H new ATOM 0 HZ3 LYS A 21 3.921 -13.474 -2.040 1.00 1.54 H new ATOM 320 N LEU A 22 -3.082 -15.955 1.376 1.00 0.27 N ATOM 321 CA LEU A 22 -4.417 -15.478 1.699 1.00 0.23 C ATOM 322 C LEU A 22 -4.630 -14.089 1.102 1.00 0.23 C ATOM 323 O LEU A 22 -3.818 -13.188 1.302 1.00 0.29 O ATOM 324 CB LEU A 22 -4.589 -15.447 3.224 1.00 0.23 C ATOM 325 CG LEU A 22 -5.913 -14.874 3.743 1.00 0.24 C ATOM 326 CD1 LEU A 22 -7.070 -15.174 2.801 1.00 0.31 C ATOM 327 CD2 LEU A 22 -6.212 -15.423 5.123 1.00 0.19 C ATOM 0 H LEU A 22 -2.417 -15.893 2.147 1.00 0.27 H new ATOM 0 HA LEU A 22 -5.162 -16.151 1.274 1.00 0.23 H new ATOM 0 HB2 LEU A 22 -4.484 -16.464 3.602 1.00 0.23 H new ATOM 0 HB3 LEU A 22 -3.773 -14.863 3.649 1.00 0.23 H new ATOM 0 HG LEU A 22 -5.804 -13.791 3.797 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -7.989 -14.750 3.207 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -6.868 -14.734 1.825 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -7.183 -16.253 2.696 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.154 -15.010 5.483 1.00 0.19 H new ATOM 0 HD22 LEU A 22 -6.287 -16.509 5.074 1.00 0.19 H new ATOM 0 HD23 LEU A 22 -5.410 -15.145 5.807 1.00 0.19 H new ATOM 339 N VAL A 23 -5.714 -13.929 0.349 1.00 0.23 N ATOM 340 CA VAL A 23 -6.017 -12.651 -0.290 1.00 0.24 C ATOM 341 C VAL A 23 -7.186 -11.957 0.385 1.00 0.25 C ATOM 342 O VAL A 23 -8.318 -12.437 0.357 1.00 0.30 O ATOM 343 CB VAL A 23 -6.321 -12.815 -1.794 1.00 0.29 C ATOM 344 CG1 VAL A 23 -6.212 -11.472 -2.502 1.00 0.27 C ATOM 345 CG2 VAL A 23 -5.394 -13.847 -2.431 1.00 0.33 C ATOM 0 H VAL A 23 -6.396 -14.665 0.166 1.00 0.23 H new ATOM 0 HA VAL A 23 -5.124 -12.035 -0.181 1.00 0.24 H new ATOM 0 HB VAL A 23 -7.343 -13.180 -1.902 1.00 0.29 H new ATOM 0 HG11 VAL A 23 -6.429 -11.601 -3.562 1.00 0.27 H new ATOM 0 HG12 VAL A 23 -6.927 -10.773 -2.068 1.00 0.27 H new ATOM 0 HG13 VAL A 23 -5.202 -11.079 -2.383 1.00 0.27 H new ATOM 0 HG21 VAL A 23 -5.630 -13.943 -3.491 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.359 -13.525 -2.317 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -5.531 -14.811 -1.940 1.00 0.33 H new ATOM 355 N VAL A 24 -6.899 -10.802 0.976 1.00 0.24 N ATOM 356 CA VAL A 24 -7.913 -10.010 1.636 1.00 0.29 C ATOM 357 C VAL A 24 -8.137 -8.764 0.820 1.00 0.31 C ATOM 358 O VAL A 24 -7.226 -7.957 0.638 1.00 0.33 O ATOM 359 CB VAL A 24 -7.514 -9.634 3.073 1.00 0.33 C ATOM 360 CG1 VAL A 24 -6.219 -8.835 3.085 1.00 0.54 C ATOM 361 CG2 VAL A 24 -8.634 -8.868 3.754 1.00 0.63 C ATOM 0 H VAL A 24 -5.963 -10.397 1.008 1.00 0.24 H new ATOM 0 HA VAL A 24 -8.827 -10.600 1.708 1.00 0.29 H new ATOM 0 HB VAL A 24 -7.343 -10.554 3.633 1.00 0.33 H new ATOM 0 HG11 VAL A 24 -5.958 -8.581 4.112 1.00 0.54 H new ATOM 0 HG12 VAL A 24 -5.420 -9.431 2.644 1.00 0.54 H new ATOM 0 HG13 VAL A 24 -6.351 -7.920 2.507 1.00 0.54 H new ATOM 0 HG21 VAL A 24 -8.334 -8.611 4.770 1.00 0.63 H new ATOM 0 HG22 VAL A 24 -8.843 -7.956 3.195 1.00 0.63 H new ATOM 0 HG23 VAL A 24 -9.531 -9.487 3.787 1.00 0.63 H new ATOM 371 N VAL A 25 -9.335 -8.628 0.292 1.00 0.30 N ATOM 372 CA VAL A 25 -9.639 -7.498 -0.549 1.00 0.33 C ATOM 373 C VAL A 25 -10.858 -6.730 -0.047 1.00 0.43 C ATOM 374 O VAL A 25 -11.817 -7.304 0.474 1.00 0.84 O ATOM 375 CB VAL A 25 -9.799 -7.948 -2.021 1.00 0.35 C ATOM 376 CG1 VAL A 25 -8.461 -8.378 -2.582 1.00 0.53 C ATOM 377 CG2 VAL A 25 -10.752 -9.104 -2.152 1.00 0.74 C ATOM 0 H VAL A 25 -10.106 -9.281 0.430 1.00 0.30 H new ATOM 0 HA VAL A 25 -8.800 -6.804 -0.502 1.00 0.33 H new ATOM 0 HB VAL A 25 -10.195 -7.096 -2.573 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -8.585 -8.693 -3.618 1.00 0.53 H new ATOM 0 HG12 VAL A 25 -7.762 -7.542 -2.538 1.00 0.53 H new ATOM 0 HG13 VAL A 25 -8.070 -9.209 -1.995 1.00 0.53 H new ATOM 0 HG21 VAL A 25 -10.836 -9.389 -3.201 1.00 0.74 H new ATOM 0 HG22 VAL A 25 -10.379 -9.950 -1.575 1.00 0.74 H new ATOM 0 HG23 VAL A 25 -11.732 -8.812 -1.776 1.00 0.74 H new ATOM 387 N ASP A 26 -10.773 -5.413 -0.193 1.00 0.27 N ATOM 388 CA ASP A 26 -11.817 -4.509 0.247 1.00 0.30 C ATOM 389 C ASP A 26 -12.568 -3.916 -0.938 1.00 0.25 C ATOM 390 O ASP A 26 -11.961 -3.352 -1.848 1.00 0.26 O ATOM 391 CB ASP A 26 -11.209 -3.390 1.098 1.00 0.40 C ATOM 392 CG ASP A 26 -12.270 -2.585 1.814 1.00 0.46 C ATOM 393 OD1 ASP A 26 -13.416 -3.068 1.899 1.00 1.18 O ATOM 394 OD2 ASP A 26 -11.957 -1.470 2.288 1.00 1.19 O ATOM 0 H ASP A 26 -9.974 -4.945 -0.622 1.00 0.27 H new ATOM 0 HA ASP A 26 -12.529 -5.075 0.847 1.00 0.30 H new ATOM 0 HB2 ASP A 26 -10.525 -3.821 1.829 1.00 0.40 H new ATOM 0 HB3 ASP A 26 -10.620 -2.729 0.462 1.00 0.40 H new ATOM 399 N PHE A 27 -13.891 -4.023 -0.906 1.00 0.24 N ATOM 400 CA PHE A 27 -14.724 -3.465 -1.968 1.00 0.23 C ATOM 401 C PHE A 27 -15.204 -2.078 -1.551 1.00 0.23 C ATOM 402 O PHE A 27 -16.013 -1.949 -0.632 1.00 0.25 O ATOM 403 CB PHE A 27 -15.909 -4.383 -2.268 1.00 0.27 C ATOM 404 CG PHE A 27 -15.633 -5.300 -3.425 1.00 0.26 C ATOM 405 CD1 PHE A 27 -14.940 -6.490 -3.239 1.00 0.26 C ATOM 406 CD2 PHE A 27 -16.041 -4.959 -4.704 1.00 0.32 C ATOM 407 CE1 PHE A 27 -14.665 -7.327 -4.309 1.00 0.30 C ATOM 408 CE2 PHE A 27 -15.772 -5.788 -5.778 1.00 0.35 C ATOM 409 CZ PHE A 27 -15.084 -6.975 -5.583 1.00 0.34 C ATOM 0 H PHE A 27 -14.409 -4.488 -0.161 1.00 0.24 H new ATOM 0 HA PHE A 27 -14.134 -3.382 -2.881 1.00 0.23 H new ATOM 0 HB2 PHE A 27 -16.141 -4.976 -1.383 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -16.789 -3.779 -2.487 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -14.611 -6.766 -2.248 1.00 0.26 H new ATOM 0 HD2 PHE A 27 -16.576 -4.035 -4.865 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -14.126 -8.250 -4.151 1.00 0.30 H new ATOM 0 HE2 PHE A 27 -16.098 -5.510 -6.769 1.00 0.35 H new ATOM 0 HZ PHE A 27 -14.875 -7.624 -6.421 1.00 0.34 H new ATOM 419 N SER A 28 -14.661 -1.044 -2.185 1.00 0.27 N ATOM 420 CA SER A 28 -15.007 0.331 -1.829 1.00 0.29 C ATOM 421 C SER A 28 -15.640 1.099 -2.985 1.00 0.34 C ATOM 422 O SER A 28 -15.952 0.538 -4.034 1.00 0.57 O ATOM 423 CB SER A 28 -13.753 1.063 -1.354 1.00 0.29 C ATOM 424 OG SER A 28 -12.753 1.044 -2.356 1.00 1.03 O ATOM 0 H SER A 28 -13.984 -1.129 -2.943 1.00 0.27 H new ATOM 0 HA SER A 28 -15.749 0.282 -1.032 1.00 0.29 H new ATOM 0 HB2 SER A 28 -14.001 2.094 -1.101 1.00 0.29 H new ATOM 0 HB3 SER A 28 -13.374 0.594 -0.446 1.00 0.29 H new ATOM 0 HG SER A 28 -11.958 1.519 -2.034 1.00 1.03 H new ATOM 430 N ALA A 29 -15.798 2.404 -2.770 1.00 0.26 N ATOM 431 CA ALA A 29 -16.371 3.301 -3.758 1.00 0.30 C ATOM 432 C ALA A 29 -15.823 4.714 -3.566 1.00 0.30 C ATOM 433 O ALA A 29 -15.389 5.068 -2.474 1.00 0.28 O ATOM 434 CB ALA A 29 -17.889 3.293 -3.652 1.00 0.40 C ATOM 0 H ALA A 29 -15.530 2.865 -1.901 1.00 0.26 H new ATOM 0 HA ALA A 29 -16.093 2.957 -4.754 1.00 0.30 H new ATOM 0 HB1 ALA A 29 -18.309 3.969 -4.397 1.00 0.40 H new ATOM 0 HB2 ALA A 29 -18.261 2.283 -3.827 1.00 0.40 H new ATOM 0 HB3 ALA A 29 -18.186 3.621 -2.656 1.00 0.40 H new ATOM 440 N THR A 30 -15.858 5.519 -4.621 1.00 0.37 N ATOM 441 CA THR A 30 -15.376 6.900 -4.549 1.00 0.44 C ATOM 442 C THR A 30 -16.319 7.744 -3.703 1.00 0.46 C ATOM 443 O THR A 30 -15.901 8.648 -2.980 1.00 0.48 O ATOM 444 CB THR A 30 -15.261 7.489 -5.957 1.00 0.57 C ATOM 445 OG1 THR A 30 -14.960 6.474 -6.896 1.00 0.68 O ATOM 446 CG2 THR A 30 -14.195 8.561 -6.082 1.00 0.93 C ATOM 0 H THR A 30 -16.214 5.244 -5.536 1.00 0.37 H new ATOM 0 HA THR A 30 -14.391 6.904 -4.083 1.00 0.44 H new ATOM 0 HB THR A 30 -16.230 7.945 -6.158 1.00 0.57 H new ATOM 0 HG1 THR A 30 -14.892 6.867 -7.791 1.00 0.68 H new ATOM 0 HG21 THR A 30 -14.171 8.932 -7.107 1.00 0.93 H new ATOM 0 HG22 THR A 30 -14.424 9.383 -5.404 1.00 0.93 H new ATOM 0 HG23 THR A 30 -13.223 8.139 -5.826 1.00 0.93 H new ATOM 454 N TRP A 31 -17.603 7.431 -3.812 1.00 0.50 N ATOM 455 CA TRP A 31 -18.649 8.138 -3.086 1.00 0.61 C ATOM 456 C TRP A 31 -18.871 7.527 -1.699 1.00 0.58 C ATOM 457 O TRP A 31 -19.851 7.842 -1.021 1.00 0.69 O ATOM 458 CB TRP A 31 -19.947 8.081 -3.893 1.00 0.71 C ATOM 459 CG TRP A 31 -20.411 6.675 -4.134 1.00 0.48 C ATOM 460 CD1 TRP A 31 -19.889 5.770 -5.023 1.00 0.68 C ATOM 461 CD2 TRP A 31 -21.483 6.006 -3.468 1.00 0.53 C ATOM 462 NE1 TRP A 31 -20.559 4.568 -4.915 1.00 0.80 N ATOM 463 CE2 TRP A 31 -21.546 4.697 -3.975 1.00 0.67 C ATOM 464 CE3 TRP A 31 -22.399 6.385 -2.480 1.00 0.87 C ATOM 465 CZ2 TRP A 31 -22.479 3.768 -3.535 1.00 0.95 C ATOM 466 CZ3 TRP A 31 -23.324 5.459 -2.041 1.00 1.12 C ATOM 467 CH2 TRP A 31 -23.361 4.164 -2.569 1.00 1.11 C ATOM 0 H TRP A 31 -17.949 6.679 -4.407 1.00 0.50 H new ATOM 0 HA TRP A 31 -18.339 9.174 -2.950 1.00 0.61 H new ATOM 0 HB2 TRP A 31 -20.725 8.631 -3.364 1.00 0.71 H new ATOM 0 HB3 TRP A 31 -19.798 8.580 -4.850 1.00 0.71 H new ATOM 0 HD1 TRP A 31 -19.076 5.968 -5.705 1.00 0.68 H new ATOM 0 HE1 TRP A 31 -20.353 3.723 -5.448 1.00 0.80 H new ATOM 0 HE3 TRP A 31 -22.382 7.383 -2.069 1.00 0.87 H new ATOM 0 HZ2 TRP A 31 -22.507 2.768 -3.942 1.00 0.95 H new ATOM 0 HZ3 TRP A 31 -24.032 5.740 -1.276 1.00 1.12 H new ATOM 0 HH2 TRP A 31 -24.100 3.465 -2.207 1.00 1.11 H new ATOM 478 N CYS A 32 -17.952 6.658 -1.276 1.00 0.49 N ATOM 479 CA CYS A 32 -18.049 6.022 0.029 1.00 0.55 C ATOM 480 C CYS A 32 -17.097 6.677 1.026 1.00 0.61 C ATOM 481 O CYS A 32 -15.919 6.876 0.733 1.00 0.94 O ATOM 482 CB CYS A 32 -17.748 4.526 -0.077 1.00 0.52 C ATOM 483 SG CYS A 32 -18.086 3.596 1.451 1.00 0.69 S ATOM 0 H CYS A 32 -17.135 6.382 -1.821 1.00 0.49 H new ATOM 0 HA CYS A 32 -19.070 6.151 0.389 1.00 0.55 H new ATOM 0 HB2 CYS A 32 -18.341 4.102 -0.887 1.00 0.52 H new ATOM 0 HB3 CYS A 32 -16.700 4.394 -0.347 1.00 0.52 H new ATOM 488 N GLY A 33 -17.614 7.004 2.207 1.00 0.34 N ATOM 489 CA GLY A 33 -16.791 7.630 3.227 1.00 0.35 C ATOM 490 C GLY A 33 -16.092 6.615 4.119 1.00 0.35 C ATOM 491 O GLY A 33 -14.863 6.549 4.134 1.00 0.36 O ATOM 0 H GLY A 33 -18.585 6.847 2.475 1.00 0.34 H new ATOM 0 HA2 GLY A 33 -16.044 8.263 2.748 1.00 0.35 H new ATOM 0 HA3 GLY A 33 -17.413 8.281 3.842 1.00 0.35 H new ATOM 495 N PRO A 34 -16.855 5.802 4.877 1.00 0.42 N ATOM 496 CA PRO A 34 -16.282 4.786 5.771 1.00 0.45 C ATOM 497 C PRO A 34 -15.282 3.886 5.053 1.00 0.41 C ATOM 498 O PRO A 34 -14.313 3.414 5.648 1.00 0.41 O ATOM 499 CB PRO A 34 -17.504 3.983 6.224 1.00 0.58 C ATOM 500 CG PRO A 34 -18.649 4.928 6.095 1.00 0.63 C ATOM 501 CD PRO A 34 -18.330 5.810 4.920 1.00 0.52 C ATOM 0 HA PRO A 34 -15.723 5.231 6.594 1.00 0.45 H new ATOM 0 HB2 PRO A 34 -17.649 3.099 5.603 1.00 0.58 H new ATOM 0 HB3 PRO A 34 -17.391 3.636 7.251 1.00 0.58 H new ATOM 0 HG2 PRO A 34 -19.583 4.389 5.936 1.00 0.63 H new ATOM 0 HG3 PRO A 34 -18.772 5.518 7.003 1.00 0.63 H new ATOM 0 HD2 PRO A 34 -18.761 5.422 3.997 1.00 0.52 H new ATOM 0 HD3 PRO A 34 -18.723 6.818 5.056 1.00 0.52 H new ATOM 509 N CYS A 35 -15.528 3.655 3.768 1.00 0.42 N ATOM 510 CA CYS A 35 -14.652 2.810 2.961 1.00 0.46 C ATOM 511 C CYS A 35 -13.232 3.366 2.960 1.00 0.41 C ATOM 512 O CYS A 35 -12.260 2.616 3.064 1.00 0.46 O ATOM 513 CB CYS A 35 -15.170 2.738 1.523 1.00 0.52 C ATOM 514 SG CYS A 35 -16.828 2.003 1.355 1.00 0.71 S ATOM 0 H CYS A 35 -16.326 4.040 3.262 1.00 0.42 H new ATOM 0 HA CYS A 35 -14.644 1.810 3.394 1.00 0.46 H new ATOM 0 HB2 CYS A 35 -15.189 3.745 1.106 1.00 0.52 H new ATOM 0 HB3 CYS A 35 -14.467 2.158 0.925 1.00 0.52 H new ATOM 519 N LYS A 36 -13.127 4.686 2.850 1.00 0.36 N ATOM 520 CA LYS A 36 -11.838 5.363 2.846 1.00 0.40 C ATOM 521 C LYS A 36 -11.195 5.330 4.232 1.00 0.41 C ATOM 522 O LYS A 36 -9.984 5.511 4.371 1.00 0.51 O ATOM 523 CB LYS A 36 -12.015 6.810 2.387 1.00 0.43 C ATOM 524 CG LYS A 36 -12.435 6.941 0.934 1.00 0.66 C ATOM 525 CD LYS A 36 -12.917 8.347 0.625 1.00 0.85 C ATOM 526 CE LYS A 36 -11.792 9.203 0.069 1.00 1.79 C ATOM 527 NZ LYS A 36 -11.965 10.638 0.427 1.00 2.24 N ATOM 0 H LYS A 36 -13.928 5.312 2.762 1.00 0.36 H new ATOM 0 HA LYS A 36 -11.178 4.840 2.154 1.00 0.40 H new ATOM 0 HB2 LYS A 36 -12.762 7.293 3.017 1.00 0.43 H new ATOM 0 HB3 LYS A 36 -11.078 7.346 2.535 1.00 0.43 H new ATOM 0 HG2 LYS A 36 -11.595 6.692 0.286 1.00 0.66 H new ATOM 0 HG3 LYS A 36 -13.228 6.226 0.716 1.00 0.66 H new ATOM 0 HD2 LYS A 36 -13.735 8.304 -0.094 1.00 0.85 H new ATOM 0 HD3 LYS A 36 -13.313 8.806 1.531 1.00 0.85 H new ATOM 0 HE2 LYS A 36 -10.837 8.844 0.454 1.00 1.79 H new ATOM 0 HE3 LYS A 36 -11.758 9.100 -1.016 1.00 1.79 H new ATOM 0 HZ1 LYS A 36 -11.179 11.192 0.031 1.00 2.24 H new ATOM 0 HZ2 LYS A 36 -12.865 10.987 0.039 1.00 2.24 H new ATOM 0 HZ3 LYS A 36 -11.973 10.739 1.462 1.00 2.24 H new ATOM 541 N MET A 37 -12.018 5.098 5.252 1.00 0.34 N ATOM 542 CA MET A 37 -11.539 5.041 6.628 1.00 0.37 C ATOM 543 C MET A 37 -10.799 3.740 6.906 1.00 0.38 C ATOM 544 O MET A 37 -9.951 3.680 7.795 1.00 0.43 O ATOM 545 CB MET A 37 -12.707 5.202 7.600 1.00 0.40 C ATOM 546 CG MET A 37 -13.376 6.563 7.509 1.00 0.47 C ATOM 547 SD MET A 37 -14.381 6.950 8.954 1.00 1.07 S ATOM 548 CE MET A 37 -14.055 8.701 9.130 1.00 1.45 C ATOM 0 H MET A 37 -13.021 4.946 5.150 1.00 0.34 H new ATOM 0 HA MET A 37 -10.837 5.862 6.773 1.00 0.37 H new ATOM 0 HB2 MET A 37 -13.447 4.426 7.401 1.00 0.40 H new ATOM 0 HB3 MET A 37 -12.349 5.047 8.618 1.00 0.40 H new ATOM 0 HG2 MET A 37 -12.611 7.330 7.389 1.00 0.47 H new ATOM 0 HG3 MET A 37 -14.003 6.595 6.618 1.00 0.47 H new ATOM 0 HE1 MET A 37 -14.608 9.090 9.985 1.00 1.45 H new ATOM 0 HE2 MET A 37 -12.988 8.859 9.286 1.00 1.45 H new ATOM 0 HE3 MET A 37 -14.371 9.223 8.226 1.00 1.45 H new ATOM 558 N ILE A 38 -11.116 2.702 6.137 1.00 0.35 N ATOM 559 CA ILE A 38 -10.477 1.402 6.306 1.00 0.38 C ATOM 560 C ILE A 38 -9.169 1.319 5.522 1.00 0.30 C ATOM 561 O ILE A 38 -8.321 0.471 5.805 1.00 0.30 O ATOM 562 CB ILE A 38 -11.401 0.269 5.819 1.00 0.48 C ATOM 563 CG1 ILE A 38 -12.790 0.392 6.462 1.00 0.65 C ATOM 564 CG2 ILE A 38 -10.772 -1.093 6.093 1.00 0.51 C ATOM 565 CD1 ILE A 38 -12.987 -0.452 7.705 1.00 0.33 C ATOM 0 H ILE A 38 -11.811 2.736 5.391 1.00 0.35 H new ATOM 0 HA ILE A 38 -10.273 1.287 7.371 1.00 0.38 H new ATOM 0 HB ILE A 38 -11.528 0.361 4.740 1.00 0.48 H new ATOM 0 HG12 ILE A 38 -12.967 1.437 6.717 1.00 0.65 H new ATOM 0 HG13 ILE A 38 -13.543 0.112 5.725 1.00 0.65 H new ATOM 0 HG21 ILE A 38 -11.440 -1.880 5.742 1.00 0.51 H new ATOM 0 HG22 ILE A 38 -9.819 -1.166 5.569 1.00 0.51 H new ATOM 0 HG23 ILE A 38 -10.607 -1.209 7.164 1.00 0.51 H new ATOM 0 HD11 ILE A 38 -13.995 -0.302 8.091 1.00 0.33 H new ATOM 0 HD12 ILE A 38 -12.846 -1.504 7.457 1.00 0.33 H new ATOM 0 HD13 ILE A 38 -12.261 -0.158 8.463 1.00 0.33 H new ATOM 577 N LYS A 39 -9.002 2.203 4.541 1.00 0.25 N ATOM 578 CA LYS A 39 -7.789 2.214 3.727 1.00 0.22 C ATOM 579 C LYS A 39 -6.539 2.267 4.605 1.00 0.22 C ATOM 580 O LYS A 39 -5.647 1.427 4.484 1.00 0.23 O ATOM 581 CB LYS A 39 -7.804 3.396 2.754 1.00 0.26 C ATOM 582 CG LYS A 39 -8.154 2.997 1.330 1.00 0.59 C ATOM 583 CD LYS A 39 -8.324 4.213 0.437 1.00 1.03 C ATOM 584 CE LYS A 39 -7.028 4.993 0.304 1.00 1.78 C ATOM 585 NZ LYS A 39 -7.179 6.166 -0.599 1.00 2.51 N ATOM 0 H LYS A 39 -9.687 2.917 4.291 1.00 0.25 H new ATOM 0 HA LYS A 39 -7.763 1.288 3.152 1.00 0.22 H new ATOM 0 HB2 LYS A 39 -8.523 4.137 3.104 1.00 0.26 H new ATOM 0 HB3 LYS A 39 -6.825 3.875 2.760 1.00 0.26 H new ATOM 0 HG2 LYS A 39 -7.370 2.356 0.928 1.00 0.59 H new ATOM 0 HG3 LYS A 39 -9.074 2.413 1.330 1.00 0.59 H new ATOM 0 HD2 LYS A 39 -8.662 3.896 -0.550 1.00 1.03 H new ATOM 0 HD3 LYS A 39 -9.099 4.861 0.847 1.00 1.03 H new ATOM 0 HE2 LYS A 39 -6.705 5.331 1.288 1.00 1.78 H new ATOM 0 HE3 LYS A 39 -6.247 4.337 -0.080 1.00 1.78 H new ATOM 0 HZ1 LYS A 39 -6.273 6.673 -0.664 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.463 5.841 -1.545 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -7.907 6.805 -0.220 1.00 2.51 H new ATOM 599 N PRO A 40 -6.462 3.262 5.507 1.00 0.27 N ATOM 600 CA PRO A 40 -5.320 3.426 6.409 1.00 0.30 C ATOM 601 C PRO A 40 -4.939 2.127 7.117 1.00 0.25 C ATOM 602 O PRO A 40 -3.768 1.748 7.141 1.00 0.26 O ATOM 603 CB PRO A 40 -5.807 4.478 7.411 1.00 0.41 C ATOM 604 CG PRO A 40 -6.840 5.260 6.673 1.00 0.44 C ATOM 605 CD PRO A 40 -7.488 4.303 5.711 1.00 0.34 C ATOM 0 HA PRO A 40 -4.416 3.720 5.875 1.00 0.30 H new ATOM 0 HB2 PRO A 40 -6.227 4.011 8.302 1.00 0.41 H new ATOM 0 HB3 PRO A 40 -4.989 5.118 7.742 1.00 0.41 H new ATOM 0 HG2 PRO A 40 -7.576 5.678 7.360 1.00 0.44 H new ATOM 0 HG3 PRO A 40 -6.388 6.098 6.142 1.00 0.44 H new ATOM 0 HD2 PRO A 40 -8.407 3.884 6.121 1.00 0.34 H new ATOM 0 HD3 PRO A 40 -7.752 4.794 4.774 1.00 0.34 H new ATOM 613 N PHE A 41 -5.919 1.457 7.715 1.00 0.23 N ATOM 614 CA PHE A 41 -5.656 0.217 8.446 1.00 0.21 C ATOM 615 C PHE A 41 -5.462 -0.956 7.498 1.00 0.20 C ATOM 616 O PHE A 41 -4.703 -1.880 7.793 1.00 0.21 O ATOM 617 CB PHE A 41 -6.815 -0.093 9.385 1.00 0.23 C ATOM 618 CG PHE A 41 -7.323 1.102 10.137 1.00 0.29 C ATOM 619 CD1 PHE A 41 -6.460 1.887 10.884 1.00 0.46 C ATOM 620 CD2 PHE A 41 -8.664 1.438 10.097 1.00 0.27 C ATOM 621 CE1 PHE A 41 -6.928 2.987 11.577 1.00 0.53 C ATOM 622 CE2 PHE A 41 -9.139 2.535 10.786 1.00 0.33 C ATOM 623 CZ PHE A 41 -8.271 3.311 11.528 1.00 0.44 C ATOM 0 H PHE A 41 -6.897 1.747 7.710 1.00 0.23 H new ATOM 0 HA PHE A 41 -4.739 0.361 9.018 1.00 0.21 H new ATOM 0 HB2 PHE A 41 -7.634 -0.522 8.807 1.00 0.23 H new ATOM 0 HB3 PHE A 41 -6.498 -0.852 10.100 1.00 0.23 H new ATOM 0 HD1 PHE A 41 -5.410 1.637 10.925 1.00 0.46 H new ATOM 0 HD2 PHE A 41 -9.348 0.834 9.519 1.00 0.27 H new ATOM 0 HE1 PHE A 41 -6.246 3.592 12.156 1.00 0.53 H new ATOM 0 HE2 PHE A 41 -10.189 2.786 10.745 1.00 0.33 H new ATOM 0 HZ PHE A 41 -8.641 4.170 12.069 1.00 0.44 H new ATOM 633 N PHE A 42 -6.134 -0.922 6.355 1.00 0.20 N ATOM 634 CA PHE A 42 -6.002 -1.993 5.388 1.00 0.22 C ATOM 635 C PHE A 42 -4.582 -2.030 4.835 1.00 0.23 C ATOM 636 O PHE A 42 -3.959 -3.086 4.764 1.00 0.24 O ATOM 637 CB PHE A 42 -7.014 -1.813 4.254 1.00 0.26 C ATOM 638 CG PHE A 42 -7.433 -3.098 3.609 1.00 0.25 C ATOM 639 CD1 PHE A 42 -8.281 -3.964 4.276 1.00 0.28 C ATOM 640 CD2 PHE A 42 -7.002 -3.435 2.333 1.00 0.25 C ATOM 641 CE1 PHE A 42 -8.694 -5.143 3.689 1.00 0.30 C ATOM 642 CE2 PHE A 42 -7.411 -4.616 1.741 1.00 0.26 C ATOM 643 CZ PHE A 42 -8.260 -5.470 2.419 1.00 0.28 C ATOM 0 H PHE A 42 -6.768 -0.172 6.080 1.00 0.20 H new ATOM 0 HA PHE A 42 -6.206 -2.941 5.885 1.00 0.22 H new ATOM 0 HB2 PHE A 42 -7.898 -1.308 4.645 1.00 0.26 H new ATOM 0 HB3 PHE A 42 -6.583 -1.160 3.495 1.00 0.26 H new ATOM 0 HD1 PHE A 42 -8.624 -3.714 5.269 1.00 0.28 H new ATOM 0 HD2 PHE A 42 -6.341 -2.769 1.798 1.00 0.25 H new ATOM 0 HE1 PHE A 42 -9.356 -5.809 4.222 1.00 0.30 H new ATOM 0 HE2 PHE A 42 -7.067 -4.871 0.749 1.00 0.26 H new ATOM 0 HZ PHE A 42 -8.583 -6.391 1.957 1.00 0.28 H new ATOM 653 N HIS A 43 -4.069 -0.864 4.449 1.00 0.26 N ATOM 654 CA HIS A 43 -2.718 -0.772 3.904 1.00 0.31 C ATOM 655 C HIS A 43 -1.661 -1.103 4.950 1.00 0.29 C ATOM 656 O HIS A 43 -0.681 -1.781 4.647 1.00 0.31 O ATOM 657 CB HIS A 43 -2.449 0.614 3.310 1.00 0.40 C ATOM 658 CG HIS A 43 -1.791 0.549 1.967 1.00 0.36 C ATOM 659 ND1 HIS A 43 -2.211 1.258 0.867 1.00 0.87 N ATOM 660 CD2 HIS A 43 -0.730 -0.190 1.553 1.00 0.34 C ATOM 661 CE1 HIS A 43 -1.413 0.932 -0.160 1.00 0.88 C ATOM 662 NE2 HIS A 43 -0.496 0.059 0.205 1.00 0.48 N ATOM 0 H HIS A 43 -4.566 0.025 4.503 1.00 0.26 H new ATOM 0 HA HIS A 43 -2.651 -1.513 3.107 1.00 0.31 H new ATOM 0 HB2 HIS A 43 -3.390 1.156 3.223 1.00 0.40 H new ATOM 0 HB3 HIS A 43 -1.816 1.181 3.993 1.00 0.40 H new ATOM 0 HD2 HIS A 43 -0.158 -0.865 2.173 1.00 0.34 H new ATOM 0 HE1 HIS A 43 -1.509 1.333 -1.158 1.00 0.88 H new ATOM 0 HE2 HIS A 43 0.234 -0.349 -0.379 1.00 0.48 H new ATOM 670 N SER A 44 -1.854 -0.622 6.180 1.00 0.28 N ATOM 671 CA SER A 44 -0.892 -0.882 7.247 1.00 0.31 C ATOM 672 C SER A 44 -0.750 -2.376 7.496 1.00 0.28 C ATOM 673 O SER A 44 0.365 -2.890 7.622 1.00 0.30 O ATOM 674 CB SER A 44 -1.312 -0.171 8.539 1.00 0.35 C ATOM 675 OG SER A 44 -0.181 0.146 9.332 1.00 1.30 O ATOM 0 H SER A 44 -2.657 -0.058 6.457 1.00 0.28 H new ATOM 0 HA SER A 44 0.074 -0.490 6.930 1.00 0.31 H new ATOM 0 HB2 SER A 44 -1.858 0.741 8.296 1.00 0.35 H new ATOM 0 HB3 SER A 44 -1.991 -0.808 9.105 1.00 0.35 H new ATOM 0 HG SER A 44 -0.472 0.600 10.150 1.00 1.30 H new ATOM 681 N LEU A 45 -1.880 -3.080 7.558 1.00 0.24 N ATOM 682 CA LEU A 45 -1.860 -4.520 7.787 1.00 0.24 C ATOM 683 C LEU A 45 -1.040 -5.207 6.700 1.00 0.23 C ATOM 684 O LEU A 45 -0.308 -6.163 6.962 1.00 0.23 O ATOM 685 CB LEU A 45 -3.282 -5.086 7.800 1.00 0.25 C ATOM 686 CG LEU A 45 -4.138 -4.669 8.997 1.00 0.30 C ATOM 687 CD1 LEU A 45 -5.615 -4.871 8.697 1.00 0.42 C ATOM 688 CD2 LEU A 45 -3.736 -5.452 10.238 1.00 0.33 C ATOM 0 H LEU A 45 -2.812 -2.679 7.454 1.00 0.24 H new ATOM 0 HA LEU A 45 -1.403 -4.709 8.758 1.00 0.24 H new ATOM 0 HB2 LEU A 45 -3.788 -4.775 6.886 1.00 0.25 H new ATOM 0 HB3 LEU A 45 -3.223 -6.174 7.777 1.00 0.25 H new ATOM 0 HG LEU A 45 -3.968 -3.609 9.186 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -6.206 -4.568 9.561 1.00 0.42 H new ATOM 0 HD12 LEU A 45 -5.897 -4.267 7.835 1.00 0.42 H new ATOM 0 HD13 LEU A 45 -5.802 -5.923 8.480 1.00 0.42 H new ATOM 0 HD21 LEU A 45 -4.355 -5.142 11.080 1.00 0.33 H new ATOM 0 HD22 LEU A 45 -3.876 -6.518 10.057 1.00 0.33 H new ATOM 0 HD23 LEU A 45 -2.688 -5.258 10.467 1.00 0.33 H new ATOM 700 N SER A 46 -1.156 -4.689 5.478 1.00 0.24 N ATOM 701 CA SER A 46 -0.414 -5.220 4.343 1.00 0.25 C ATOM 702 C SER A 46 1.085 -5.232 4.624 1.00 0.26 C ATOM 703 O SER A 46 1.806 -6.109 4.149 1.00 0.27 O ATOM 704 CB SER A 46 -0.684 -4.385 3.087 1.00 0.28 C ATOM 705 OG SER A 46 -0.180 -5.022 1.924 1.00 1.25 O ATOM 0 H SER A 46 -1.760 -3.899 5.252 1.00 0.24 H new ATOM 0 HA SER A 46 -0.751 -6.244 4.180 1.00 0.25 H new ATOM 0 HB2 SER A 46 -1.757 -4.223 2.979 1.00 0.28 H new ATOM 0 HB3 SER A 46 -0.223 -3.403 3.195 1.00 0.28 H new ATOM 0 HG SER A 46 0.359 -4.385 1.410 1.00 1.25 H new ATOM 711 N GLU A 47 1.557 -4.265 5.411 1.00 0.28 N ATOM 712 CA GLU A 47 2.971 -4.184 5.753 1.00 0.30 C ATOM 713 C GLU A 47 3.280 -5.075 6.954 1.00 0.30 C ATOM 714 O GLU A 47 4.428 -5.463 7.171 1.00 0.34 O ATOM 715 CB GLU A 47 3.356 -2.737 6.064 1.00 0.35 C ATOM 716 CG GLU A 47 3.866 -1.969 4.856 1.00 1.02 C ATOM 717 CD GLU A 47 5.002 -1.025 5.198 1.00 1.32 C ATOM 718 OE1 GLU A 47 6.028 -1.496 5.732 1.00 2.18 O ATOM 719 OE2 GLU A 47 4.868 0.187 4.926 1.00 1.64 O ATOM 0 H GLU A 47 0.980 -3.530 5.821 1.00 0.28 H new ATOM 0 HA GLU A 47 3.554 -4.531 4.900 1.00 0.30 H new ATOM 0 HB2 GLU A 47 2.489 -2.219 6.473 1.00 0.35 H new ATOM 0 HB3 GLU A 47 4.124 -2.733 6.837 1.00 0.35 H new ATOM 0 HG2 GLU A 47 4.202 -2.676 4.097 1.00 1.02 H new ATOM 0 HG3 GLU A 47 3.045 -1.400 4.420 1.00 1.02 H new ATOM 726 N LYS A 48 2.245 -5.404 7.723 1.00 0.29 N ATOM 727 CA LYS A 48 2.403 -6.256 8.897 1.00 0.33 C ATOM 728 C LYS A 48 2.158 -7.717 8.534 1.00 0.36 C ATOM 729 O LYS A 48 2.382 -8.612 9.346 1.00 0.57 O ATOM 730 CB LYS A 48 1.434 -5.819 10.008 1.00 0.40 C ATOM 731 CG LYS A 48 1.895 -6.189 11.416 1.00 0.70 C ATOM 732 CD LYS A 48 0.777 -6.020 12.443 1.00 0.87 C ATOM 733 CE LYS A 48 0.084 -7.340 12.756 1.00 1.37 C ATOM 734 NZ LYS A 48 0.571 -7.953 14.027 1.00 2.05 N ATOM 0 H LYS A 48 1.288 -5.093 7.554 1.00 0.29 H new ATOM 0 HA LYS A 48 3.425 -6.154 9.261 1.00 0.33 H new ATOM 0 HB2 LYS A 48 1.298 -4.739 9.953 1.00 0.40 H new ATOM 0 HB3 LYS A 48 0.460 -6.272 9.825 1.00 0.40 H new ATOM 0 HG2 LYS A 48 2.243 -7.222 11.425 1.00 0.70 H new ATOM 0 HG3 LYS A 48 2.743 -5.565 11.696 1.00 0.70 H new ATOM 0 HD2 LYS A 48 1.189 -5.600 13.361 1.00 0.87 H new ATOM 0 HD3 LYS A 48 0.044 -5.306 12.067 1.00 0.87 H new ATOM 0 HE2 LYS A 48 -0.991 -7.175 12.824 1.00 1.37 H new ATOM 0 HE3 LYS A 48 0.248 -8.037 11.934 1.00 1.37 H new ATOM 0 HZ1 LYS A 48 0.069 -8.848 14.195 1.00 2.05 H new ATOM 0 HZ2 LYS A 48 1.592 -8.137 13.955 1.00 2.05 H new ATOM 0 HZ3 LYS A 48 0.391 -7.302 14.818 1.00 2.05 H new ATOM 748 N TYR A 49 1.698 -7.948 7.303 1.00 0.26 N ATOM 749 CA TYR A 49 1.424 -9.300 6.824 1.00 0.32 C ATOM 750 C TYR A 49 2.332 -9.672 5.661 1.00 0.48 C ATOM 751 O TYR A 49 2.001 -9.418 4.501 1.00 1.43 O ATOM 752 CB TYR A 49 -0.034 -9.431 6.384 1.00 0.32 C ATOM 753 CG TYR A 49 -0.981 -9.782 7.504 1.00 0.30 C ATOM 754 CD1 TYR A 49 -1.380 -8.823 8.417 1.00 0.28 C ATOM 755 CD2 TYR A 49 -1.477 -11.073 7.643 1.00 0.42 C ATOM 756 CE1 TYR A 49 -2.245 -9.132 9.439 1.00 0.35 C ATOM 757 CE2 TYR A 49 -2.346 -11.392 8.662 1.00 0.53 C ATOM 758 CZ TYR A 49 -2.729 -10.416 9.559 1.00 0.50 C ATOM 759 OH TYR A 49 -3.594 -10.721 10.580 1.00 0.64 O ATOM 0 H TYR A 49 1.508 -7.214 6.621 1.00 0.26 H new ATOM 0 HA TYR A 49 1.618 -9.981 7.652 1.00 0.32 H new ATOM 0 HB2 TYR A 49 -0.353 -8.491 5.933 1.00 0.32 H new ATOM 0 HB3 TYR A 49 -0.103 -10.196 5.610 1.00 0.32 H new ATOM 0 HD1 TYR A 49 -1.005 -7.814 8.325 1.00 0.28 H new ATOM 0 HD2 TYR A 49 -1.176 -11.837 6.941 1.00 0.42 H new ATOM 0 HE1 TYR A 49 -2.544 -8.371 10.145 1.00 0.35 H new ATOM 0 HE2 TYR A 49 -2.725 -12.399 8.759 1.00 0.53 H new ATOM 0 HH TYR A 49 -3.844 -11.667 10.525 1.00 0.64 H new ATOM 769 N SER A 50 3.463 -10.296 5.970 1.00 0.71 N ATOM 770 CA SER A 50 4.405 -10.724 4.940 1.00 0.67 C ATOM 771 C SER A 50 4.027 -12.111 4.411 1.00 0.72 C ATOM 772 O SER A 50 4.896 -12.977 4.261 1.00 1.24 O ATOM 773 CB SER A 50 5.829 -10.763 5.496 1.00 0.99 C ATOM 774 OG SER A 50 5.981 -11.849 6.396 1.00 1.70 O ATOM 0 H SER A 50 3.750 -10.517 6.923 1.00 0.71 H new ATOM 0 HA SER A 50 4.361 -10.004 4.123 1.00 0.67 H new ATOM 0 HB2 SER A 50 6.543 -10.858 4.678 1.00 0.99 H new ATOM 0 HB3 SER A 50 6.052 -9.826 6.006 1.00 0.99 H new ATOM 0 HG SER A 50 5.879 -12.694 5.910 1.00 1.70 H new ATOM 780 N ASN A 51 2.742 -12.317 4.104 1.00 0.68 N ATOM 781 CA ASN A 51 2.284 -13.593 3.565 1.00 0.65 C ATOM 782 C ASN A 51 0.996 -13.434 2.735 1.00 0.53 C ATOM 783 O ASN A 51 0.759 -14.195 1.802 1.00 0.92 O ATOM 784 CB ASN A 51 2.100 -14.639 4.676 1.00 0.88 C ATOM 785 CG ASN A 51 2.411 -16.034 4.166 1.00 1.08 C ATOM 786 OD1 ASN A 51 3.240 -16.197 3.276 1.00 1.17 O ATOM 787 ND2 ASN A 51 1.748 -17.045 4.714 1.00 1.38 N ATOM 0 H ASN A 51 2.008 -11.619 4.220 1.00 0.68 H new ATOM 0 HA ASN A 51 3.063 -13.954 2.893 1.00 0.65 H new ATOM 0 HB2 ASN A 51 2.753 -14.401 5.516 1.00 0.88 H new ATOM 0 HB3 ASN A 51 1.076 -14.604 5.048 1.00 0.88 H new ATOM 0 HD21 ASN A 51 1.920 -17.999 4.397 1.00 1.38 H new ATOM 0 HD22 ASN A 51 1.066 -16.868 5.452 1.00 1.38 H new ATOM 794 N VAL A 52 0.177 -12.441 3.099 1.00 0.36 N ATOM 795 CA VAL A 52 -1.082 -12.181 2.400 1.00 0.23 C ATOM 796 C VAL A 52 -0.953 -11.007 1.445 1.00 0.21 C ATOM 797 O VAL A 52 -0.023 -10.201 1.552 1.00 0.22 O ATOM 798 CB VAL A 52 -2.220 -11.854 3.390 1.00 0.22 C ATOM 799 CG1 VAL A 52 -2.318 -12.917 4.457 1.00 0.22 C ATOM 800 CG2 VAL A 52 -2.027 -10.480 4.011 1.00 0.34 C ATOM 0 H VAL A 52 0.365 -11.805 3.874 1.00 0.36 H new ATOM 0 HA VAL A 52 -1.316 -13.091 1.847 1.00 0.23 H new ATOM 0 HB VAL A 52 -3.157 -11.840 2.834 1.00 0.22 H new ATOM 0 HG11 VAL A 52 -3.126 -12.668 5.145 1.00 0.22 H new ATOM 0 HG12 VAL A 52 -2.521 -13.882 3.992 1.00 0.22 H new ATOM 0 HG13 VAL A 52 -1.378 -12.970 5.006 1.00 0.22 H new ATOM 0 HG21 VAL A 52 -2.843 -10.276 4.704 1.00 0.34 H new ATOM 0 HG22 VAL A 52 -1.079 -10.454 4.549 1.00 0.34 H new ATOM 0 HG23 VAL A 52 -2.020 -9.724 3.226 1.00 0.34 H new ATOM 810 N ILE A 53 -1.868 -10.948 0.487 1.00 0.20 N ATOM 811 CA ILE A 53 -1.850 -9.903 -0.513 1.00 0.19 C ATOM 812 C ILE A 53 -3.011 -8.940 -0.307 1.00 0.19 C ATOM 813 O ILE A 53 -4.177 -9.324 -0.397 1.00 0.20 O ATOM 814 CB ILE A 53 -1.858 -10.529 -1.930 1.00 0.22 C ATOM 815 CG1 ILE A 53 -0.999 -9.703 -2.869 1.00 0.28 C ATOM 816 CG2 ILE A 53 -3.258 -10.680 -2.505 1.00 0.25 C ATOM 817 CD1 ILE A 53 0.478 -10.010 -2.758 1.00 0.38 C ATOM 0 H ILE A 53 -2.632 -11.616 0.386 1.00 0.20 H new ATOM 0 HA ILE A 53 -0.933 -9.323 -0.410 1.00 0.19 H new ATOM 0 HB ILE A 53 -1.445 -11.533 -1.833 1.00 0.22 H new ATOM 0 HG12 ILE A 53 -1.323 -9.878 -3.895 1.00 0.28 H new ATOM 0 HG13 ILE A 53 -1.159 -8.645 -2.661 1.00 0.28 H new ATOM 0 HG21 ILE A 53 -3.197 -11.124 -3.499 1.00 0.25 H new ATOM 0 HG22 ILE A 53 -3.851 -11.324 -1.855 1.00 0.25 H new ATOM 0 HG23 ILE A 53 -3.731 -9.700 -2.574 1.00 0.25 H new ATOM 0 HD11 ILE A 53 1.033 -9.384 -3.457 1.00 0.38 H new ATOM 0 HD12 ILE A 53 0.816 -9.808 -1.742 1.00 0.38 H new ATOM 0 HD13 ILE A 53 0.650 -11.060 -2.995 1.00 0.38 H new ATOM 829 N PHE A 54 -2.668 -7.688 -0.018 1.00 0.18 N ATOM 830 CA PHE A 54 -3.672 -6.668 0.219 1.00 0.19 C ATOM 831 C PHE A 54 -3.876 -5.810 -1.005 1.00 0.19 C ATOM 832 O PHE A 54 -2.971 -5.108 -1.436 1.00 0.24 O ATOM 833 CB PHE A 54 -3.278 -5.747 1.367 1.00 0.19 C ATOM 834 CG PHE A 54 -3.710 -6.212 2.735 1.00 0.18 C ATOM 835 CD1 PHE A 54 -3.324 -7.437 3.263 1.00 0.30 C ATOM 836 CD2 PHE A 54 -4.521 -5.392 3.493 1.00 0.17 C ATOM 837 CE1 PHE A 54 -3.755 -7.824 4.528 1.00 0.33 C ATOM 838 CE2 PHE A 54 -4.949 -5.769 4.747 1.00 0.18 C ATOM 839 CZ PHE A 54 -4.570 -6.985 5.267 1.00 0.23 C ATOM 0 H PHE A 54 -1.705 -7.361 0.056 1.00 0.18 H new ATOM 0 HA PHE A 54 -4.591 -7.198 0.468 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -2.194 -5.632 1.365 1.00 0.19 H new ATOM 0 HB3 PHE A 54 -3.704 -4.761 1.184 1.00 0.19 H new ATOM 0 HD1 PHE A 54 -2.686 -8.093 2.689 1.00 0.30 H new ATOM 0 HD2 PHE A 54 -4.826 -4.436 3.095 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -3.454 -8.779 4.933 1.00 0.33 H new ATOM 0 HE2 PHE A 54 -5.582 -5.110 5.322 1.00 0.18 H new ATOM 0 HZ PHE A 54 -4.907 -7.284 6.249 1.00 0.23 H new ATOM 849 N LEU A 55 -5.074 -5.856 -1.560 1.00 0.19 N ATOM 850 CA LEU A 55 -5.371 -5.062 -2.727 1.00 0.20 C ATOM 851 C LEU A 55 -6.703 -4.331 -2.597 1.00 0.19 C ATOM 852 O LEU A 55 -7.502 -4.624 -1.712 1.00 0.19 O ATOM 853 CB LEU A 55 -5.356 -5.941 -3.964 1.00 0.20 C ATOM 854 CG LEU A 55 -6.687 -6.522 -4.370 1.00 0.20 C ATOM 855 CD1 LEU A 55 -7.436 -5.497 -5.178 1.00 0.20 C ATOM 856 CD2 LEU A 55 -6.493 -7.831 -5.138 1.00 0.23 C ATOM 0 H LEU A 55 -5.846 -6.430 -1.222 1.00 0.19 H new ATOM 0 HA LEU A 55 -4.599 -4.298 -2.820 1.00 0.20 H new ATOM 0 HB2 LEU A 55 -4.966 -5.357 -4.798 1.00 0.20 H new ATOM 0 HB3 LEU A 55 -4.658 -6.761 -3.796 1.00 0.20 H new ATOM 0 HG LEU A 55 -7.275 -6.764 -3.485 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -8.401 -5.905 -5.478 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -7.592 -4.602 -4.576 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -6.858 -5.241 -6.066 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -7.465 -8.234 -5.422 1.00 0.23 H new ATOM 0 HD22 LEU A 55 -5.903 -7.643 -6.035 1.00 0.23 H new ATOM 0 HD23 LEU A 55 -5.973 -8.550 -4.505 1.00 0.23 H new ATOM 868 N GLU A 56 -6.916 -3.365 -3.483 1.00 0.20 N ATOM 869 CA GLU A 56 -8.134 -2.571 -3.456 1.00 0.21 C ATOM 870 C GLU A 56 -8.950 -2.693 -4.732 1.00 0.18 C ATOM 871 O GLU A 56 -8.455 -2.445 -5.834 1.00 0.17 O ATOM 872 CB GLU A 56 -7.778 -1.112 -3.257 1.00 0.26 C ATOM 873 CG GLU A 56 -8.818 -0.343 -2.452 1.00 0.31 C ATOM 874 CD GLU A 56 -8.213 0.754 -1.598 1.00 1.01 C ATOM 875 OE1 GLU A 56 -7.498 1.616 -2.153 1.00 1.61 O ATOM 876 OE2 GLU A 56 -8.463 0.753 -0.377 1.00 1.84 O ATOM 0 H GLU A 56 -6.263 -3.115 -4.225 1.00 0.20 H new ATOM 0 HA GLU A 56 -8.740 -2.952 -2.634 1.00 0.21 H new ATOM 0 HB2 GLU A 56 -6.815 -1.046 -2.751 1.00 0.26 H new ATOM 0 HB3 GLU A 56 -7.659 -0.638 -4.231 1.00 0.26 H new ATOM 0 HG2 GLU A 56 -9.546 0.095 -3.134 1.00 0.31 H new ATOM 0 HG3 GLU A 56 -9.360 -1.038 -1.811 1.00 0.31 H new ATOM 883 N VAL A 57 -10.209 -3.067 -4.569 1.00 0.18 N ATOM 884 CA VAL A 57 -11.103 -3.209 -5.698 1.00 0.17 C ATOM 885 C VAL A 57 -12.224 -2.180 -5.629 1.00 0.17 C ATOM 886 O VAL A 57 -13.060 -2.203 -4.734 1.00 0.20 O ATOM 887 CB VAL A 57 -11.726 -4.609 -5.776 1.00 0.17 C ATOM 888 CG1 VAL A 57 -12.297 -4.835 -7.152 1.00 0.16 C ATOM 889 CG2 VAL A 57 -10.721 -5.697 -5.452 1.00 0.20 C ATOM 0 H VAL A 57 -10.631 -3.277 -3.664 1.00 0.18 H new ATOM 0 HA VAL A 57 -10.499 -3.049 -6.591 1.00 0.17 H new ATOM 0 HB VAL A 57 -12.519 -4.661 -5.030 1.00 0.17 H new ATOM 0 HG11 VAL A 57 -12.739 -5.830 -7.204 1.00 0.16 H new ATOM 0 HG12 VAL A 57 -13.063 -4.087 -7.355 1.00 0.16 H new ATOM 0 HG13 VAL A 57 -11.503 -4.752 -7.894 1.00 0.16 H new ATOM 0 HG21 VAL A 57 -11.205 -6.671 -5.519 1.00 0.20 H new ATOM 0 HG22 VAL A 57 -9.895 -5.652 -6.162 1.00 0.20 H new ATOM 0 HG23 VAL A 57 -10.339 -5.551 -4.442 1.00 0.20 H new ATOM 899 N ASP A 58 -12.229 -1.272 -6.598 1.00 0.18 N ATOM 900 CA ASP A 58 -13.236 -0.225 -6.675 1.00 0.20 C ATOM 901 C ASP A 58 -14.411 -0.700 -7.513 1.00 0.19 C ATOM 902 O ASP A 58 -14.267 -0.973 -8.707 1.00 0.20 O ATOM 903 CB ASP A 58 -12.624 1.017 -7.307 1.00 0.25 C ATOM 904 CG ASP A 58 -13.637 2.126 -7.499 1.00 0.85 C ATOM 905 OD1 ASP A 58 -14.624 2.163 -6.731 1.00 1.45 O ATOM 906 OD2 ASP A 58 -13.450 2.950 -8.416 1.00 1.69 O ATOM 0 H ASP A 58 -11.538 -1.242 -7.348 1.00 0.18 H new ATOM 0 HA ASP A 58 -13.589 0.013 -5.671 1.00 0.20 H new ATOM 0 HB2 ASP A 58 -11.810 1.377 -6.679 1.00 0.25 H new ATOM 0 HB3 ASP A 58 -12.190 0.754 -8.272 1.00 0.25 H new ATOM 911 N VAL A 59 -15.565 -0.834 -6.870 1.00 0.19 N ATOM 912 CA VAL A 59 -16.757 -1.311 -7.545 1.00 0.20 C ATOM 913 C VAL A 59 -17.129 -0.412 -8.715 1.00 0.22 C ATOM 914 O VAL A 59 -17.825 -0.834 -9.644 1.00 0.24 O ATOM 915 CB VAL A 59 -17.949 -1.418 -6.565 1.00 0.22 C ATOM 916 CG1 VAL A 59 -18.391 -0.032 -6.102 1.00 0.22 C ATOM 917 CG2 VAL A 59 -19.102 -2.171 -7.211 1.00 0.25 C ATOM 0 H VAL A 59 -15.696 -0.618 -5.882 1.00 0.19 H new ATOM 0 HA VAL A 59 -16.531 -2.305 -7.931 1.00 0.20 H new ATOM 0 HB VAL A 59 -17.627 -1.978 -5.687 1.00 0.22 H new ATOM 0 HG11 VAL A 59 -19.230 -0.129 -5.413 1.00 0.22 H new ATOM 0 HG12 VAL A 59 -17.562 0.464 -5.597 1.00 0.22 H new ATOM 0 HG13 VAL A 59 -18.696 0.560 -6.965 1.00 0.22 H new ATOM 0 HG21 VAL A 59 -19.932 -2.237 -6.508 1.00 0.25 H new ATOM 0 HG22 VAL A 59 -19.426 -1.641 -8.107 1.00 0.25 H new ATOM 0 HG23 VAL A 59 -18.775 -3.175 -7.482 1.00 0.25 H new ATOM 927 N ASP A 60 -16.652 0.824 -8.689 1.00 0.23 N ATOM 928 CA ASP A 60 -16.929 1.741 -9.770 1.00 0.26 C ATOM 929 C ASP A 60 -16.292 1.225 -11.061 1.00 0.26 C ATOM 930 O ASP A 60 -16.908 1.269 -12.128 1.00 0.28 O ATOM 931 CB ASP A 60 -16.385 3.142 -9.442 1.00 0.29 C ATOM 932 CG ASP A 60 -17.387 4.250 -9.708 1.00 0.38 C ATOM 933 OD1 ASP A 60 -17.946 4.292 -10.825 1.00 1.05 O ATOM 934 OD2 ASP A 60 -17.600 5.083 -8.806 1.00 1.26 O ATOM 0 H ASP A 60 -16.078 1.206 -7.937 1.00 0.23 H new ATOM 0 HA ASP A 60 -18.009 1.810 -9.902 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -16.088 3.173 -8.394 1.00 0.29 H new ATOM 0 HB3 ASP A 60 -15.487 3.323 -10.033 1.00 0.29 H new ATOM 939 N ASP A 61 -15.067 0.710 -10.946 1.00 0.25 N ATOM 940 CA ASP A 61 -14.336 0.186 -12.100 1.00 0.27 C ATOM 941 C ASP A 61 -14.506 -1.325 -12.240 1.00 0.23 C ATOM 942 O ASP A 61 -14.685 -1.838 -13.342 1.00 0.25 O ATOM 943 CB ASP A 61 -12.853 0.540 -11.975 1.00 0.32 C ATOM 944 CG ASP A 61 -12.620 2.040 -11.911 1.00 0.45 C ATOM 945 OD1 ASP A 61 -12.810 2.721 -12.942 1.00 1.23 O ATOM 946 OD2 ASP A 61 -12.234 2.534 -10.829 1.00 1.14 O ATOM 0 H ASP A 61 -14.560 0.645 -10.064 1.00 0.25 H new ATOM 0 HA ASP A 61 -14.749 0.647 -12.997 1.00 0.27 H new ATOM 0 HB2 ASP A 61 -12.445 0.073 -11.079 1.00 0.32 H new ATOM 0 HB3 ASP A 61 -12.310 0.127 -12.825 1.00 0.32 H new ATOM 951 N ALA A 62 -14.435 -2.034 -11.122 1.00 0.21 N ATOM 952 CA ALA A 62 -14.586 -3.481 -11.126 1.00 0.19 C ATOM 953 C ALA A 62 -16.039 -3.883 -10.933 1.00 0.23 C ATOM 954 O ALA A 62 -16.354 -4.758 -10.124 1.00 0.21 O ATOM 955 CB ALA A 62 -13.709 -4.101 -10.051 1.00 0.20 C ATOM 0 H ALA A 62 -14.274 -1.629 -10.200 1.00 0.21 H new ATOM 0 HA ALA A 62 -14.266 -3.855 -12.099 1.00 0.19 H new ATOM 0 HB1 ALA A 62 -13.830 -5.184 -10.063 1.00 0.20 H new ATOM 0 HB2 ALA A 62 -12.666 -3.850 -10.243 1.00 0.20 H new ATOM 0 HB3 ALA A 62 -14.001 -3.714 -9.075 1.00 0.20 H new ATOM 961 N GLN A 63 -16.927 -3.250 -11.679 1.00 0.32 N ATOM 962 CA GLN A 63 -18.350 -3.569 -11.582 1.00 0.39 C ATOM 963 C GLN A 63 -18.658 -4.892 -12.273 1.00 0.37 C ATOM 964 O GLN A 63 -19.794 -5.364 -12.244 1.00 0.44 O ATOM 965 CB GLN A 63 -19.198 -2.466 -12.188 1.00 0.50 C ATOM 966 CG GLN A 63 -20.459 -2.151 -11.392 1.00 1.06 C ATOM 967 CD GLN A 63 -21.497 -1.513 -12.283 1.00 1.28 C ATOM 968 OE1 GLN A 63 -21.174 -0.633 -13.078 1.00 2.00 O ATOM 969 NE2 GLN A 63 -22.747 -1.940 -12.156 1.00 1.73 N ATOM 0 H GLN A 63 -16.697 -2.520 -12.353 1.00 0.32 H new ATOM 0 HA GLN A 63 -18.595 -3.658 -10.524 1.00 0.39 H new ATOM 0 HB2 GLN A 63 -18.596 -1.561 -12.270 1.00 0.50 H new ATOM 0 HB3 GLN A 63 -19.481 -2.753 -13.201 1.00 0.50 H new ATOM 0 HG2 GLN A 63 -20.859 -3.066 -10.954 1.00 1.06 H new ATOM 0 HG3 GLN A 63 -20.218 -1.482 -10.566 1.00 1.06 H new ATOM 0 HE21 GLN A 63 -22.970 -2.673 -11.483 1.00 1.73 H new ATOM 0 HE22 GLN A 63 -23.485 -1.535 -12.732 1.00 1.73 H new ATOM 978 N ASP A 64 -17.650 -5.497 -12.893 1.00 0.32 N ATOM 979 CA ASP A 64 -17.842 -6.770 -13.562 1.00 0.32 C ATOM 980 C ASP A 64 -17.570 -7.924 -12.590 1.00 0.25 C ATOM 981 O ASP A 64 -18.084 -9.023 -12.780 1.00 0.25 O ATOM 982 CB ASP A 64 -16.915 -6.894 -14.783 1.00 0.38 C ATOM 983 CG ASP A 64 -17.554 -6.351 -16.049 1.00 0.58 C ATOM 984 OD1 ASP A 64 -17.572 -5.115 -16.223 1.00 1.21 O ATOM 985 OD2 ASP A 64 -18.039 -7.166 -16.863 1.00 1.38 O ATOM 0 H ASP A 64 -16.701 -5.127 -12.944 1.00 0.32 H new ATOM 0 HA ASP A 64 -18.876 -6.820 -13.903 1.00 0.32 H new ATOM 0 HB2 ASP A 64 -15.987 -6.357 -14.588 1.00 0.38 H new ATOM 0 HB3 ASP A 64 -16.652 -7.941 -14.932 1.00 0.38 H new ATOM 990 N VAL A 65 -16.766 -7.670 -11.548 1.00 0.20 N ATOM 991 CA VAL A 65 -16.434 -8.700 -10.558 1.00 0.15 C ATOM 992 C VAL A 65 -17.493 -8.786 -9.461 1.00 0.15 C ATOM 993 O VAL A 65 -17.878 -9.879 -9.029 1.00 0.16 O ATOM 994 CB VAL A 65 -15.033 -8.460 -9.928 1.00 0.14 C ATOM 995 CG1 VAL A 65 -13.965 -8.517 -11.003 1.00 0.16 C ATOM 996 CG2 VAL A 65 -14.973 -7.128 -9.211 1.00 0.17 C ATOM 0 H VAL A 65 -16.335 -6.762 -11.371 1.00 0.20 H new ATOM 0 HA VAL A 65 -16.412 -9.651 -11.091 1.00 0.15 H new ATOM 0 HB VAL A 65 -14.853 -9.247 -9.195 1.00 0.14 H new ATOM 0 HG11 VAL A 65 -12.987 -8.348 -10.553 1.00 0.16 H new ATOM 0 HG12 VAL A 65 -13.981 -9.497 -11.480 1.00 0.16 H new ATOM 0 HG13 VAL A 65 -14.159 -7.747 -11.750 1.00 0.16 H new ATOM 0 HG21 VAL A 65 -13.981 -6.990 -8.782 1.00 0.17 H new ATOM 0 HG22 VAL A 65 -15.177 -6.324 -9.919 1.00 0.17 H new ATOM 0 HG23 VAL A 65 -15.718 -7.109 -8.416 1.00 0.17 H new ATOM 1006 N ALA A 66 -17.924 -7.624 -8.981 1.00 0.17 N ATOM 1007 CA ALA A 66 -18.899 -7.540 -7.898 1.00 0.21 C ATOM 1008 C ALA A 66 -20.132 -8.405 -8.140 1.00 0.24 C ATOM 1009 O ALA A 66 -20.521 -9.192 -7.277 1.00 0.27 O ATOM 1010 CB ALA A 66 -19.319 -6.090 -7.707 1.00 0.25 C ATOM 0 H ALA A 66 -17.610 -6.718 -9.329 1.00 0.17 H new ATOM 0 HA ALA A 66 -18.416 -7.921 -6.998 1.00 0.21 H new ATOM 0 HB1 ALA A 66 -20.047 -6.026 -6.898 1.00 0.25 H new ATOM 0 HB2 ALA A 66 -18.445 -5.488 -7.457 1.00 0.25 H new ATOM 0 HB3 ALA A 66 -19.766 -5.716 -8.628 1.00 0.25 H new ATOM 1016 N PRO A 67 -20.778 -8.238 -9.302 1.00 0.27 N ATOM 1017 CA PRO A 67 -22.000 -8.977 -9.657 1.00 0.30 C ATOM 1018 C PRO A 67 -21.821 -10.489 -9.638 1.00 0.29 C ATOM 1019 O PRO A 67 -22.778 -11.231 -9.426 1.00 0.32 O ATOM 1020 CB PRO A 67 -22.314 -8.494 -11.080 1.00 0.32 C ATOM 1021 CG PRO A 67 -21.625 -7.180 -11.188 1.00 0.46 C ATOM 1022 CD PRO A 67 -20.387 -7.292 -10.357 1.00 0.29 C ATOM 0 HA PRO A 67 -22.796 -8.788 -8.936 1.00 0.30 H new ATOM 0 HB2 PRO A 67 -21.947 -9.197 -11.828 1.00 0.32 H new ATOM 0 HB3 PRO A 67 -23.388 -8.393 -11.237 1.00 0.32 H new ATOM 0 HG2 PRO A 67 -21.379 -6.953 -12.225 1.00 0.46 H new ATOM 0 HG3 PRO A 67 -22.264 -6.374 -10.828 1.00 0.46 H new ATOM 0 HD2 PRO A 67 -19.543 -7.663 -10.939 1.00 0.29 H new ATOM 0 HD3 PRO A 67 -20.090 -6.328 -9.944 1.00 0.29 H new ATOM 1030 N LYS A 68 -20.602 -10.942 -9.874 1.00 0.24 N ATOM 1031 CA LYS A 68 -20.318 -12.367 -9.889 1.00 0.24 C ATOM 1032 C LYS A 68 -20.230 -12.938 -8.481 1.00 0.27 C ATOM 1033 O LYS A 68 -20.426 -14.137 -8.289 1.00 0.32 O ATOM 1034 CB LYS A 68 -19.033 -12.668 -10.657 1.00 0.21 C ATOM 1035 CG LYS A 68 -19.217 -12.681 -12.165 1.00 0.53 C ATOM 1036 CD LYS A 68 -17.919 -12.365 -12.891 1.00 0.51 C ATOM 1037 CE LYS A 68 -17.806 -13.160 -14.184 1.00 0.93 C ATOM 1038 NZ LYS A 68 -17.057 -14.436 -14.001 1.00 1.58 N ATOM 0 H LYS A 68 -19.795 -10.346 -10.057 1.00 0.24 H new ATOM 0 HA LYS A 68 -21.151 -12.850 -10.401 1.00 0.24 H new ATOM 0 HB2 LYS A 68 -18.281 -11.923 -10.397 1.00 0.21 H new ATOM 0 HB3 LYS A 68 -18.647 -13.636 -10.338 1.00 0.21 H new ATOM 0 HG2 LYS A 68 -19.581 -13.659 -12.479 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -19.978 -11.953 -12.445 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -17.872 -11.298 -13.111 1.00 0.51 H new ATOM 0 HD3 LYS A 68 -17.072 -12.594 -12.244 1.00 0.51 H new ATOM 0 HE2 LYS A 68 -18.805 -13.379 -14.562 1.00 0.93 H new ATOM 0 HE3 LYS A 68 -17.306 -12.553 -14.939 1.00 0.93 H new ATOM 0 HZ1 LYS A 68 -17.006 -14.942 -14.908 1.00 1.58 H new ATOM 0 HZ2 LYS A 68 -16.095 -14.229 -13.666 1.00 1.58 H new ATOM 0 HZ3 LYS A 68 -17.547 -15.029 -13.301 1.00 1.58 H new ATOM 1052 N TYR A 69 -19.952 -12.084 -7.495 1.00 0.28 N ATOM 1053 CA TYR A 69 -19.857 -12.524 -6.103 1.00 0.35 C ATOM 1054 C TYR A 69 -21.114 -12.142 -5.339 1.00 0.42 C ATOM 1055 O TYR A 69 -21.342 -12.589 -4.210 1.00 0.49 O ATOM 1056 CB TYR A 69 -18.664 -11.857 -5.425 1.00 0.31 C ATOM 1057 CG TYR A 69 -17.330 -12.262 -6.003 1.00 0.30 C ATOM 1058 CD1 TYR A 69 -16.884 -13.572 -5.906 1.00 0.33 C ATOM 1059 CD2 TYR A 69 -16.521 -11.338 -6.658 1.00 0.31 C ATOM 1060 CE1 TYR A 69 -15.675 -13.958 -6.446 1.00 0.34 C ATOM 1061 CE2 TYR A 69 -15.308 -11.717 -7.197 1.00 0.31 C ATOM 1062 CZ TYR A 69 -14.888 -13.028 -7.089 1.00 0.32 C ATOM 1063 OH TYR A 69 -13.684 -13.412 -7.630 1.00 0.34 O ATOM 0 H TYR A 69 -19.789 -11.087 -7.634 1.00 0.28 H new ATOM 0 HA TYR A 69 -19.736 -13.607 -6.098 1.00 0.35 H new ATOM 0 HB2 TYR A 69 -18.771 -10.775 -5.505 1.00 0.31 H new ATOM 0 HB3 TYR A 69 -18.678 -12.101 -4.363 1.00 0.31 H new ATOM 0 HD1 TYR A 69 -17.495 -14.303 -5.398 1.00 0.33 H new ATOM 0 HD2 TYR A 69 -16.846 -10.312 -6.746 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -15.347 -14.984 -6.365 1.00 0.34 H new ATOM 0 HE2 TYR A 69 -14.689 -10.990 -7.702 1.00 0.31 H new ATOM 0 HH TYR A 69 -13.001 -13.431 -6.928 1.00 0.34 H new ATOM 1073 N GLY A 70 -21.940 -11.327 -5.980 1.00 0.44 N ATOM 1074 CA GLY A 70 -23.177 -10.891 -5.384 1.00 0.55 C ATOM 1075 C GLY A 70 -22.950 -9.948 -4.226 1.00 0.53 C ATOM 1076 O GLY A 70 -23.664 -10.015 -3.223 1.00 0.61 O ATOM 0 H GLY A 70 -21.767 -10.958 -6.915 1.00 0.44 H new ATOM 0 HA2 GLY A 70 -23.788 -10.396 -6.139 1.00 0.55 H new ATOM 0 HA3 GLY A 70 -23.738 -11.759 -5.039 1.00 0.55 H new ATOM 1080 N ILE A 71 -21.979 -9.047 -4.364 1.00 0.44 N ATOM 1081 CA ILE A 71 -21.707 -8.077 -3.319 1.00 0.44 C ATOM 1082 C ILE A 71 -22.753 -6.970 -3.379 1.00 0.54 C ATOM 1083 O ILE A 71 -23.023 -6.426 -4.450 1.00 1.30 O ATOM 1084 CB ILE A 71 -20.290 -7.459 -3.458 1.00 0.38 C ATOM 1085 CG1 ILE A 71 -19.214 -8.549 -3.420 1.00 0.37 C ATOM 1086 CG2 ILE A 71 -20.050 -6.441 -2.355 1.00 0.44 C ATOM 1087 CD1 ILE A 71 -17.812 -8.016 -3.614 1.00 0.42 C ATOM 0 H ILE A 71 -21.376 -8.973 -5.183 1.00 0.44 H new ATOM 0 HA ILE A 71 -21.751 -8.593 -2.360 1.00 0.44 H new ATOM 0 HB ILE A 71 -20.229 -6.954 -4.422 1.00 0.38 H new ATOM 0 HG12 ILE A 71 -19.268 -9.069 -2.464 1.00 0.37 H new ATOM 0 HG13 ILE A 71 -19.425 -9.285 -4.196 1.00 0.37 H new ATOM 0 HG21 ILE A 71 -19.053 -6.015 -2.464 1.00 0.44 H new ATOM 0 HG22 ILE A 71 -20.793 -5.647 -2.425 1.00 0.44 H new ATOM 0 HG23 ILE A 71 -20.132 -6.930 -1.384 1.00 0.44 H new ATOM 0 HD11 ILE A 71 -17.101 -8.841 -3.576 1.00 0.42 H new ATOM 0 HD12 ILE A 71 -17.742 -7.521 -4.582 1.00 0.42 H new ATOM 0 HD13 ILE A 71 -17.582 -7.302 -2.824 1.00 0.42 H new ATOM 1099 N ARG A 72 -23.359 -6.643 -2.238 1.00 0.85 N ATOM 1100 CA ARG A 72 -24.389 -5.610 -2.205 1.00 0.89 C ATOM 1101 C ARG A 72 -24.326 -4.805 -0.912 1.00 0.77 C ATOM 1102 O ARG A 72 -25.233 -4.859 -0.080 1.00 1.54 O ATOM 1103 CB ARG A 72 -25.772 -6.241 -2.362 1.00 1.25 C ATOM 1104 CG ARG A 72 -26.867 -5.237 -2.686 1.00 1.43 C ATOM 1105 CD ARG A 72 -28.248 -5.817 -2.428 1.00 1.81 C ATOM 1106 NE ARG A 72 -29.311 -4.949 -2.928 1.00 2.23 N ATOM 1107 CZ ARG A 72 -30.594 -5.301 -2.975 1.00 2.90 C ATOM 1108 NH1 ARG A 72 -30.979 -6.499 -2.550 1.00 3.34 N ATOM 1109 NH2 ARG A 72 -31.493 -4.448 -3.447 1.00 3.59 N ATOM 0 H ARG A 72 -23.157 -7.073 -1.336 1.00 0.85 H new ATOM 0 HA ARG A 72 -24.208 -4.928 -3.036 1.00 0.89 H new ATOM 0 HB2 ARG A 72 -25.732 -6.990 -3.153 1.00 1.25 H new ATOM 0 HB3 ARG A 72 -26.031 -6.763 -1.441 1.00 1.25 H new ATOM 0 HG2 ARG A 72 -26.730 -4.340 -2.083 1.00 1.43 H new ATOM 0 HG3 ARG A 72 -26.787 -4.934 -3.730 1.00 1.43 H new ATOM 0 HD2 ARG A 72 -28.325 -6.795 -2.904 1.00 1.81 H new ATOM 0 HD3 ARG A 72 -28.381 -5.973 -1.357 1.00 1.81 H new ATOM 0 HE ARG A 72 -29.055 -4.019 -3.260 1.00 2.23 H new ATOM 0 HH11 ARG A 72 -30.290 -7.156 -2.185 1.00 3.34 H new ATOM 0 HH12 ARG A 72 -31.964 -6.762 -2.589 1.00 3.34 H new ATOM 0 HH21 ARG A 72 -31.200 -3.527 -3.772 1.00 3.59 H new ATOM 0 HH22 ARG A 72 -32.477 -4.713 -3.485 1.00 3.59 H new ATOM 1123 N GLY A 73 -23.248 -4.051 -0.753 1.00 0.78 N ATOM 1124 CA GLY A 73 -23.087 -3.238 0.437 1.00 0.98 C ATOM 1125 C GLY A 73 -21.639 -2.982 0.794 1.00 0.86 C ATOM 1126 O GLY A 73 -20.890 -3.912 1.091 1.00 1.15 O ATOM 0 H GLY A 73 -22.483 -3.987 -1.425 1.00 0.78 H new ATOM 0 HA2 GLY A 73 -23.592 -2.283 0.288 1.00 0.98 H new ATOM 0 HA3 GLY A 73 -23.579 -3.731 1.275 1.00 0.98 H new ATOM 1130 N ILE A 74 -21.249 -1.713 0.773 1.00 0.56 N ATOM 1131 CA ILE A 74 -19.886 -1.327 1.105 1.00 0.43 C ATOM 1132 C ILE A 74 -19.839 -0.675 2.487 1.00 0.39 C ATOM 1133 O ILE A 74 -20.835 -0.111 2.941 1.00 0.45 O ATOM 1134 CB ILE A 74 -19.311 -0.346 0.065 1.00 0.48 C ATOM 1135 CG1 ILE A 74 -20.305 0.785 -0.207 1.00 0.64 C ATOM 1136 CG2 ILE A 74 -18.967 -1.075 -1.228 1.00 0.56 C ATOM 1137 CD1 ILE A 74 -19.751 1.879 -1.094 1.00 1.11 C ATOM 0 H ILE A 74 -21.860 -0.934 0.529 1.00 0.56 H new ATOM 0 HA ILE A 74 -19.281 -2.233 1.104 1.00 0.43 H new ATOM 0 HB ILE A 74 -18.395 0.086 0.469 1.00 0.48 H new ATOM 0 HG12 ILE A 74 -21.198 0.368 -0.673 1.00 0.64 H new ATOM 0 HG13 ILE A 74 -20.615 1.221 0.743 1.00 0.64 H new ATOM 0 HG21 ILE A 74 -18.563 -0.365 -1.949 1.00 0.56 H new ATOM 0 HG22 ILE A 74 -18.225 -1.847 -1.024 1.00 0.56 H new ATOM 0 HG23 ILE A 74 -19.867 -1.535 -1.637 1.00 0.56 H new ATOM 0 HD11 ILE A 74 -20.511 2.646 -1.243 1.00 1.11 H new ATOM 0 HD12 ILE A 74 -18.875 2.323 -0.620 1.00 1.11 H new ATOM 0 HD13 ILE A 74 -19.467 1.457 -2.058 1.00 1.11 H new ATOM 1149 N PRO A 75 -18.688 -0.740 3.182 1.00 0.34 N ATOM 1150 CA PRO A 75 -17.474 -1.394 2.688 1.00 0.30 C ATOM 1151 C PRO A 75 -17.467 -2.900 2.922 1.00 0.39 C ATOM 1152 O PRO A 75 -17.552 -3.362 4.061 1.00 0.95 O ATOM 1153 CB PRO A 75 -16.382 -0.743 3.524 1.00 0.37 C ATOM 1154 CG PRO A 75 -17.041 -0.461 4.829 1.00 0.55 C ATOM 1155 CD PRO A 75 -18.486 -0.160 4.520 1.00 0.38 C ATOM 0 HA PRO A 75 -17.364 -1.276 1.610 1.00 0.30 H new ATOM 0 HB2 PRO A 75 -15.525 -1.405 3.645 1.00 0.37 H new ATOM 0 HB3 PRO A 75 -16.015 0.171 3.057 1.00 0.37 H new ATOM 0 HG2 PRO A 75 -16.957 -1.316 5.499 1.00 0.55 H new ATOM 0 HG3 PRO A 75 -16.567 0.383 5.329 1.00 0.55 H new ATOM 0 HD2 PRO A 75 -19.154 -0.609 5.255 1.00 0.38 H new ATOM 0 HD3 PRO A 75 -18.681 0.912 4.525 1.00 0.38 H new ATOM 1163 N THR A 76 -17.350 -3.657 1.839 1.00 0.25 N ATOM 1164 CA THR A 76 -17.307 -5.112 1.907 1.00 0.20 C ATOM 1165 C THR A 76 -15.869 -5.630 1.979 1.00 0.20 C ATOM 1166 O THR A 76 -14.983 -5.126 1.288 1.00 0.23 O ATOM 1167 CB THR A 76 -17.997 -5.711 0.681 1.00 0.20 C ATOM 1168 OG1 THR A 76 -18.808 -4.745 0.037 1.00 0.40 O ATOM 1169 CG2 THR A 76 -18.870 -6.901 1.001 1.00 0.34 C ATOM 0 H THR A 76 -17.282 -3.282 0.893 1.00 0.25 H new ATOM 0 HA THR A 76 -17.827 -5.416 2.815 1.00 0.20 H new ATOM 0 HB THR A 76 -17.186 -6.043 0.033 1.00 0.20 H new ATOM 0 HG1 THR A 76 -19.439 -4.365 0.683 1.00 0.40 H new ATOM 0 HG21 THR A 76 -19.327 -7.274 0.084 1.00 0.34 H new ATOM 0 HG22 THR A 76 -18.263 -7.687 1.450 1.00 0.34 H new ATOM 0 HG23 THR A 76 -19.651 -6.602 1.700 1.00 0.34 H new ATOM 1177 N LEU A 77 -15.650 -6.660 2.787 1.00 0.21 N ATOM 1178 CA LEU A 77 -14.332 -7.262 2.898 1.00 0.23 C ATOM 1179 C LEU A 77 -14.377 -8.687 2.356 1.00 0.22 C ATOM 1180 O LEU A 77 -15.094 -9.536 2.883 1.00 0.22 O ATOM 1181 CB LEU A 77 -13.834 -7.255 4.351 1.00 0.26 C ATOM 1182 CG LEU A 77 -12.513 -6.524 4.577 1.00 0.41 C ATOM 1183 CD1 LEU A 77 -12.732 -5.018 4.568 1.00 0.38 C ATOM 1184 CD2 LEU A 77 -11.882 -6.977 5.886 1.00 0.99 C ATOM 0 H LEU A 77 -16.366 -7.092 3.371 1.00 0.21 H new ATOM 0 HA LEU A 77 -13.631 -6.671 2.309 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -14.598 -6.796 4.979 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -13.723 -8.286 4.686 1.00 0.26 H new ATOM 0 HG LEU A 77 -11.829 -6.769 3.765 1.00 0.41 H new ATOM 0 HD11 LEU A 77 -11.781 -4.511 4.730 1.00 0.38 H new ATOM 0 HD12 LEU A 77 -13.144 -4.716 3.605 1.00 0.38 H new ATOM 0 HD13 LEU A 77 -13.428 -4.747 5.362 1.00 0.38 H new ATOM 0 HD21 LEU A 77 -10.940 -6.450 6.038 1.00 0.99 H new ATOM 0 HD22 LEU A 77 -12.559 -6.756 6.712 1.00 0.99 H new ATOM 0 HD23 LEU A 77 -11.695 -8.050 5.847 1.00 0.99 H new ATOM 1196 N LEU A 78 -13.617 -8.936 1.287 1.00 0.20 N ATOM 1197 CA LEU A 78 -13.584 -10.257 0.660 1.00 0.20 C ATOM 1198 C LEU A 78 -12.281 -10.984 0.959 1.00 0.18 C ATOM 1199 O LEU A 78 -11.189 -10.425 0.831 1.00 0.19 O ATOM 1200 CB LEU A 78 -13.742 -10.150 -0.865 1.00 0.23 C ATOM 1201 CG LEU A 78 -15.162 -9.862 -1.380 1.00 0.32 C ATOM 1202 CD1 LEU A 78 -15.363 -10.461 -2.767 1.00 0.30 C ATOM 1203 CD2 LEU A 78 -16.211 -10.421 -0.425 1.00 0.40 C ATOM 0 H LEU A 78 -13.018 -8.242 0.839 1.00 0.20 H new ATOM 0 HA LEU A 78 -14.417 -10.821 1.079 1.00 0.20 H new ATOM 0 HB2 LEU A 78 -13.081 -9.361 -1.224 1.00 0.23 H new ATOM 0 HB3 LEU A 78 -13.398 -11.083 -1.312 1.00 0.23 H new ATOM 0 HG LEU A 78 -15.280 -8.780 -1.439 1.00 0.32 H new ATOM 0 HD11 LEU A 78 -16.374 -10.246 -3.113 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -14.642 -10.026 -3.459 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -15.217 -11.540 -2.722 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -17.207 -10.204 -0.811 1.00 0.40 H new ATOM 0 HD22 LEU A 78 -16.083 -11.500 -0.335 1.00 0.40 H new ATOM 0 HD23 LEU A 78 -16.094 -9.959 0.555 1.00 0.40 H new ATOM 1215 N LEU A 79 -12.419 -12.241 1.351 1.00 0.16 N ATOM 1216 CA LEU A 79 -11.287 -13.092 1.670 1.00 0.16 C ATOM 1217 C LEU A 79 -11.182 -14.202 0.637 1.00 0.17 C ATOM 1218 O LEU A 79 -12.070 -15.043 0.548 1.00 0.22 O ATOM 1219 CB LEU A 79 -11.486 -13.711 3.061 1.00 0.16 C ATOM 1220 CG LEU A 79 -10.711 -13.064 4.209 1.00 0.19 C ATOM 1221 CD1 LEU A 79 -9.216 -13.285 4.036 1.00 0.27 C ATOM 1222 CD2 LEU A 79 -11.044 -11.581 4.318 1.00 0.22 C ATOM 0 H LEU A 79 -13.324 -12.700 1.457 1.00 0.16 H new ATOM 0 HA LEU A 79 -10.374 -12.497 1.663 1.00 0.16 H new ATOM 0 HB2 LEU A 79 -12.548 -13.675 3.302 1.00 0.16 H new ATOM 0 HB3 LEU A 79 -11.206 -14.763 3.010 1.00 0.16 H new ATOM 0 HG LEU A 79 -11.014 -13.540 5.142 1.00 0.19 H new ATOM 0 HD11 LEU A 79 -8.681 -12.817 4.863 1.00 0.27 H new ATOM 0 HD12 LEU A 79 -9.005 -14.354 4.026 1.00 0.27 H new ATOM 0 HD13 LEU A 79 -8.889 -12.842 3.095 1.00 0.27 H new ATOM 0 HD21 LEU A 79 -10.481 -11.141 5.141 1.00 0.22 H new ATOM 0 HD22 LEU A 79 -10.778 -11.079 3.388 1.00 0.22 H new ATOM 0 HD23 LEU A 79 -12.111 -11.460 4.503 1.00 0.22 H new ATOM 1234 N PHE A 80 -10.104 -14.208 -0.137 1.00 0.17 N ATOM 1235 CA PHE A 80 -9.912 -15.234 -1.156 1.00 0.19 C ATOM 1236 C PHE A 80 -8.792 -16.180 -0.739 1.00 0.20 C ATOM 1237 O PHE A 80 -7.822 -15.776 -0.098 1.00 0.21 O ATOM 1238 CB PHE A 80 -9.590 -14.600 -2.515 1.00 0.20 C ATOM 1239 CG PHE A 80 -10.774 -14.003 -3.218 1.00 0.21 C ATOM 1240 CD1 PHE A 80 -11.268 -12.772 -2.822 1.00 0.21 C ATOM 1241 CD2 PHE A 80 -11.389 -14.656 -4.282 1.00 0.24 C ATOM 1242 CE1 PHE A 80 -12.347 -12.199 -3.466 1.00 0.22 C ATOM 1243 CE2 PHE A 80 -12.474 -14.086 -4.929 1.00 0.25 C ATOM 1244 CZ PHE A 80 -12.951 -12.854 -4.519 1.00 0.23 C ATOM 0 H PHE A 80 -9.354 -13.519 -0.080 1.00 0.17 H new ATOM 0 HA PHE A 80 -10.839 -15.799 -1.254 1.00 0.19 H new ATOM 0 HB2 PHE A 80 -8.839 -13.823 -2.371 1.00 0.20 H new ATOM 0 HB3 PHE A 80 -9.145 -15.358 -3.159 1.00 0.20 H new ATOM 0 HD1 PHE A 80 -10.803 -12.252 -1.997 1.00 0.21 H new ATOM 0 HD2 PHE A 80 -11.017 -15.617 -4.607 1.00 0.24 H new ATOM 0 HE1 PHE A 80 -12.718 -11.237 -3.145 1.00 0.22 H new ATOM 0 HE2 PHE A 80 -12.946 -14.603 -5.752 1.00 0.25 H new ATOM 0 HZ PHE A 80 -13.795 -12.406 -5.022 1.00 0.23 H new ATOM 1254 N LYS A 81 -8.954 -17.445 -1.104 1.00 0.20 N ATOM 1255 CA LYS A 81 -7.984 -18.476 -0.772 1.00 0.21 C ATOM 1256 C LYS A 81 -7.878 -19.473 -1.913 1.00 0.21 C ATOM 1257 O LYS A 81 -8.819 -20.227 -2.164 1.00 0.25 O ATOM 1258 CB LYS A 81 -8.415 -19.205 0.503 1.00 0.22 C ATOM 1259 CG LYS A 81 -7.256 -19.638 1.372 1.00 0.22 C ATOM 1260 CD LYS A 81 -7.621 -19.563 2.852 1.00 0.23 C ATOM 1261 CE LYS A 81 -6.399 -19.690 3.758 1.00 0.26 C ATOM 1262 NZ LYS A 81 -5.580 -20.886 3.425 1.00 0.40 N ATOM 0 H LYS A 81 -9.757 -17.782 -1.635 1.00 0.20 H new ATOM 0 HA LYS A 81 -7.013 -18.008 -0.610 1.00 0.21 H new ATOM 0 HB2 LYS A 81 -9.069 -18.552 1.082 1.00 0.22 H new ATOM 0 HB3 LYS A 81 -9.001 -20.082 0.230 1.00 0.22 H new ATOM 0 HG2 LYS A 81 -6.967 -20.658 1.117 1.00 0.22 H new ATOM 0 HG3 LYS A 81 -6.392 -19.003 1.175 1.00 0.22 H new ATOM 0 HD2 LYS A 81 -8.122 -18.616 3.053 1.00 0.23 H new ATOM 0 HD3 LYS A 81 -8.330 -20.356 3.089 1.00 0.23 H new ATOM 0 HE2 LYS A 81 -5.785 -18.794 3.667 1.00 0.26 H new ATOM 0 HE3 LYS A 81 -6.723 -19.750 4.797 1.00 0.26 H new ATOM 0 HZ1 LYS A 81 -4.850 -21.021 4.154 1.00 0.40 H new ATOM 0 HZ2 LYS A 81 -6.192 -21.726 3.388 1.00 0.40 H new ATOM 0 HZ3 LYS A 81 -5.124 -20.748 2.500 1.00 0.40 H new ATOM 1276 N ASN A 82 -6.749 -19.477 -2.611 1.00 0.20 N ATOM 1277 CA ASN A 82 -6.579 -20.393 -3.728 1.00 0.21 C ATOM 1278 C ASN A 82 -7.644 -20.118 -4.786 1.00 0.21 C ATOM 1279 O ASN A 82 -8.277 -21.045 -5.300 1.00 0.21 O ATOM 1280 CB ASN A 82 -6.686 -21.840 -3.250 1.00 0.24 C ATOM 1281 CG ASN A 82 -5.922 -22.086 -1.967 1.00 0.35 C ATOM 1282 OD1 ASN A 82 -6.475 -22.583 -0.988 1.00 0.62 O ATOM 1283 ND2 ASN A 82 -4.641 -21.739 -1.969 1.00 0.30 N ATOM 0 H ASN A 82 -5.952 -18.868 -2.427 1.00 0.20 H new ATOM 0 HA ASN A 82 -5.591 -20.240 -4.161 1.00 0.21 H new ATOM 0 HB2 ASN A 82 -7.735 -22.092 -3.098 1.00 0.24 H new ATOM 0 HB3 ASN A 82 -6.308 -22.505 -4.027 1.00 0.24 H new ATOM 0 HD21 ASN A 82 -4.073 -21.882 -1.134 1.00 0.30 H new ATOM 0 HD22 ASN A 82 -4.225 -21.330 -2.805 1.00 0.30 H new ATOM 1290 N GLY A 83 -7.823 -18.842 -5.123 1.00 0.21 N ATOM 1291 CA GLY A 83 -8.804 -18.467 -6.133 1.00 0.22 C ATOM 1292 C GLY A 83 -10.246 -18.675 -5.684 1.00 0.22 C ATOM 1293 O GLY A 83 -11.178 -18.506 -6.476 1.00 0.25 O ATOM 0 H GLY A 83 -7.308 -18.061 -4.716 1.00 0.21 H new ATOM 0 HA2 GLY A 83 -8.661 -17.419 -6.396 1.00 0.22 H new ATOM 0 HA3 GLY A 83 -8.625 -19.050 -7.037 1.00 0.22 H new ATOM 1297 N GLU A 84 -10.442 -19.062 -4.423 1.00 0.22 N ATOM 1298 CA GLU A 84 -11.781 -19.302 -3.899 1.00 0.24 C ATOM 1299 C GLU A 84 -12.070 -18.416 -2.696 1.00 0.23 C ATOM 1300 O GLU A 84 -11.260 -18.328 -1.771 1.00 0.22 O ATOM 1301 CB GLU A 84 -11.930 -20.768 -3.488 1.00 0.28 C ATOM 1302 CG GLU A 84 -13.343 -21.307 -3.635 1.00 0.93 C ATOM 1303 CD GLU A 84 -13.580 -22.539 -2.787 1.00 1.09 C ATOM 1304 OE1 GLU A 84 -13.778 -22.388 -1.564 1.00 1.55 O ATOM 1305 OE2 GLU A 84 -13.566 -23.657 -3.346 1.00 1.73 O ATOM 0 H GLU A 84 -9.691 -19.215 -3.750 1.00 0.22 H new ATOM 0 HA GLU A 84 -12.493 -19.063 -4.689 1.00 0.24 H new ATOM 0 HB2 GLU A 84 -11.255 -21.375 -4.092 1.00 0.28 H new ATOM 0 HB3 GLU A 84 -11.616 -20.878 -2.450 1.00 0.28 H new ATOM 0 HG2 GLU A 84 -14.056 -20.532 -3.353 1.00 0.93 H new ATOM 0 HG3 GLU A 84 -13.531 -21.547 -4.681 1.00 0.93 H new ATOM 1312 N VAL A 85 -13.241 -17.778 -2.685 1.00 0.24 N ATOM 1313 CA VAL A 85 -13.609 -16.928 -1.561 1.00 0.23 C ATOM 1314 C VAL A 85 -13.589 -17.768 -0.283 1.00 0.23 C ATOM 1315 O VAL A 85 -14.262 -18.797 -0.189 1.00 0.24 O ATOM 1316 CB VAL A 85 -15.003 -16.284 -1.755 1.00 0.25 C ATOM 1317 CG1 VAL A 85 -15.413 -15.484 -0.523 1.00 1.03 C ATOM 1318 CG2 VAL A 85 -15.014 -15.397 -2.992 1.00 1.08 C ATOM 0 H VAL A 85 -13.937 -17.834 -3.429 1.00 0.24 H new ATOM 0 HA VAL A 85 -12.888 -16.114 -1.491 1.00 0.23 H new ATOM 0 HB VAL A 85 -15.728 -17.086 -1.895 1.00 0.25 H new ATOM 0 HG11 VAL A 85 -16.396 -15.042 -0.686 1.00 1.03 H new ATOM 0 HG12 VAL A 85 -15.451 -16.144 0.343 1.00 1.03 H new ATOM 0 HG13 VAL A 85 -14.685 -14.693 -0.344 1.00 1.03 H new ATOM 0 HG21 VAL A 85 -16.002 -14.953 -3.112 1.00 1.08 H new ATOM 0 HG22 VAL A 85 -14.272 -14.607 -2.880 1.00 1.08 H new ATOM 0 HG23 VAL A 85 -14.776 -15.996 -3.871 1.00 1.08 H new ATOM 1328 N ALA A 86 -12.778 -17.352 0.683 1.00 0.21 N ATOM 1329 CA ALA A 86 -12.635 -18.087 1.933 1.00 0.21 C ATOM 1330 C ALA A 86 -13.389 -17.437 3.069 1.00 0.20 C ATOM 1331 O ALA A 86 -13.560 -18.020 4.139 1.00 0.22 O ATOM 1332 CB ALA A 86 -11.165 -18.225 2.281 1.00 0.22 C ATOM 0 H ALA A 86 -12.209 -16.508 0.624 1.00 0.21 H new ATOM 0 HA ALA A 86 -13.071 -19.076 1.788 1.00 0.21 H new ATOM 0 HB1 ALA A 86 -11.063 -18.775 3.216 1.00 0.22 H new ATOM 0 HB2 ALA A 86 -10.652 -18.764 1.485 1.00 0.22 H new ATOM 0 HB3 ALA A 86 -10.723 -17.235 2.392 1.00 0.22 H new ATOM 1338 N ALA A 87 -13.840 -16.239 2.819 1.00 0.19 N ATOM 1339 CA ALA A 87 -14.588 -15.496 3.808 1.00 0.20 C ATOM 1340 C ALA A 87 -15.151 -14.211 3.232 1.00 0.21 C ATOM 1341 O ALA A 87 -14.556 -13.590 2.354 1.00 0.21 O ATOM 1342 CB ALA A 87 -13.714 -15.200 5.013 1.00 0.20 C ATOM 0 H ALA A 87 -13.704 -15.750 1.934 1.00 0.19 H new ATOM 0 HA ALA A 87 -15.430 -16.112 4.123 1.00 0.20 H new ATOM 0 HB1 ALA A 87 -14.289 -14.640 5.751 1.00 0.20 H new ATOM 0 HB2 ALA A 87 -13.373 -16.137 5.454 1.00 0.20 H new ATOM 0 HB3 ALA A 87 -12.852 -14.610 4.701 1.00 0.20 H new ATOM 1348 N THR A 88 -16.287 -13.802 3.760 1.00 0.24 N ATOM 1349 CA THR A 88 -16.922 -12.572 3.331 1.00 0.27 C ATOM 1350 C THR A 88 -17.271 -11.743 4.545 1.00 0.31 C ATOM 1351 O THR A 88 -17.610 -12.288 5.597 1.00 0.47 O ATOM 1352 CB THR A 88 -18.178 -12.851 2.500 1.00 0.38 C ATOM 1353 OG1 THR A 88 -19.009 -11.705 2.459 1.00 1.39 O ATOM 1354 CG2 THR A 88 -19.015 -13.999 3.024 1.00 1.50 C ATOM 0 H THR A 88 -16.791 -14.306 4.490 1.00 0.24 H new ATOM 0 HA THR A 88 -16.225 -12.023 2.697 1.00 0.27 H new ATOM 0 HB THR A 88 -17.810 -13.120 1.510 1.00 0.38 H new ATOM 0 HG1 THR A 88 -19.806 -11.898 1.923 1.00 1.39 H new ATOM 0 HG21 THR A 88 -19.886 -14.136 2.384 1.00 1.50 H new ATOM 0 HG22 THR A 88 -18.420 -14.912 3.026 1.00 1.50 H new ATOM 0 HG23 THR A 88 -19.342 -13.777 4.040 1.00 1.50 H new ATOM 1362 N LYS A 89 -17.190 -10.429 4.408 1.00 0.23 N ATOM 1363 CA LYS A 89 -17.500 -9.527 5.502 1.00 0.26 C ATOM 1364 C LYS A 89 -18.186 -8.277 4.965 1.00 0.25 C ATOM 1365 O LYS A 89 -17.772 -7.722 3.946 1.00 0.28 O ATOM 1366 CB LYS A 89 -16.219 -9.150 6.247 1.00 0.28 C ATOM 1367 CG LYS A 89 -16.071 -9.839 7.592 1.00 0.50 C ATOM 1368 CD LYS A 89 -16.602 -8.964 8.713 1.00 1.05 C ATOM 1369 CE LYS A 89 -16.283 -9.548 10.078 1.00 1.22 C ATOM 1370 NZ LYS A 89 -17.151 -8.973 11.140 1.00 1.93 N ATOM 0 H LYS A 89 -16.911 -9.963 3.545 1.00 0.23 H new ATOM 0 HA LYS A 89 -18.175 -10.027 6.197 1.00 0.26 H new ATOM 0 HB2 LYS A 89 -15.360 -9.400 5.624 1.00 0.28 H new ATOM 0 HB3 LYS A 89 -16.201 -8.071 6.397 1.00 0.28 H new ATOM 0 HG2 LYS A 89 -16.609 -10.787 7.580 1.00 0.50 H new ATOM 0 HG3 LYS A 89 -15.021 -10.070 7.773 1.00 0.50 H new ATOM 0 HD2 LYS A 89 -16.169 -7.967 8.633 1.00 1.05 H new ATOM 0 HD3 LYS A 89 -17.681 -8.852 8.608 1.00 1.05 H new ATOM 0 HE2 LYS A 89 -16.411 -10.630 10.050 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -15.237 -9.357 10.320 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -16.904 -9.396 12.057 1.00 1.93 H new ATOM 0 HZ2 LYS A 89 -17.010 -7.944 11.184 1.00 1.93 H new ATOM 0 HZ3 LYS A 89 -18.147 -9.177 10.922 1.00 1.93 H new ATOM 1384 N VAL A 90 -19.234 -7.840 5.642 1.00 0.23 N ATOM 1385 CA VAL A 90 -19.965 -6.659 5.215 1.00 0.23 C ATOM 1386 C VAL A 90 -19.880 -5.552 6.256 1.00 0.22 C ATOM 1387 O VAL A 90 -19.862 -5.815 7.459 1.00 0.21 O ATOM 1388 CB VAL A 90 -21.446 -6.989 4.942 1.00 0.25 C ATOM 1389 CG1 VAL A 90 -22.128 -5.823 4.248 1.00 1.06 C ATOM 1390 CG2 VAL A 90 -21.568 -8.257 4.110 1.00 1.09 C ATOM 0 H VAL A 90 -19.597 -8.283 6.486 1.00 0.23 H new ATOM 0 HA VAL A 90 -19.501 -6.313 4.291 1.00 0.23 H new ATOM 0 HB VAL A 90 -21.944 -7.160 5.896 1.00 0.25 H new ATOM 0 HG11 VAL A 90 -23.173 -6.071 4.062 1.00 1.06 H new ATOM 0 HG12 VAL A 90 -22.072 -4.939 4.883 1.00 1.06 H new ATOM 0 HG13 VAL A 90 -21.629 -5.621 3.300 1.00 1.06 H new ATOM 0 HG21 VAL A 90 -22.621 -8.473 3.928 1.00 1.09 H new ATOM 0 HG22 VAL A 90 -21.056 -8.118 3.158 1.00 1.09 H new ATOM 0 HG23 VAL A 90 -21.114 -9.090 4.647 1.00 1.09 H new ATOM 1400 N GLY A 91 -19.835 -4.309 5.789 1.00 0.25 N ATOM 1401 CA GLY A 91 -19.755 -3.188 6.695 1.00 0.26 C ATOM 1402 C GLY A 91 -18.345 -2.915 7.180 1.00 0.27 C ATOM 1403 O GLY A 91 -17.469 -3.779 7.103 1.00 0.26 O ATOM 0 H GLY A 91 -19.853 -4.062 4.799 1.00 0.25 H new ATOM 0 HA2 GLY A 91 -20.140 -2.298 6.197 1.00 0.26 H new ATOM 0 HA3 GLY A 91 -20.398 -3.376 7.554 1.00 0.26 H new ATOM 1407 N ALA A 92 -18.134 -1.703 7.666 1.00 0.33 N ATOM 1408 CA ALA A 92 -16.833 -1.284 8.162 1.00 0.38 C ATOM 1409 C ALA A 92 -16.501 -1.956 9.489 1.00 0.33 C ATOM 1410 O ALA A 92 -17.394 -2.306 10.260 1.00 0.56 O ATOM 1411 CB ALA A 92 -16.799 0.228 8.314 1.00 0.51 C ATOM 0 H ALA A 92 -18.856 -0.985 7.728 1.00 0.33 H new ATOM 0 HA ALA A 92 -16.079 -1.590 7.437 1.00 0.38 H new ATOM 0 HB1 ALA A 92 -15.821 0.534 8.686 1.00 0.51 H new ATOM 0 HB2 ALA A 92 -16.982 0.695 7.346 1.00 0.51 H new ATOM 0 HB3 ALA A 92 -17.570 0.540 9.019 1.00 0.51 H new ATOM 1417 N LEU A 93 -15.212 -2.131 9.753 1.00 0.37 N ATOM 1418 CA LEU A 93 -14.764 -2.757 10.988 1.00 0.32 C ATOM 1419 C LEU A 93 -13.548 -2.034 11.553 1.00 0.35 C ATOM 1420 O LEU A 93 -12.970 -1.163 10.902 1.00 0.64 O ATOM 1421 CB LEU A 93 -14.424 -4.230 10.746 1.00 0.28 C ATOM 1422 CG LEU A 93 -13.789 -4.535 9.389 1.00 0.39 C ATOM 1423 CD1 LEU A 93 -12.921 -5.777 9.477 1.00 0.39 C ATOM 1424 CD2 LEU A 93 -14.861 -4.698 8.325 1.00 0.56 C ATOM 0 H LEU A 93 -14.459 -1.847 9.127 1.00 0.37 H new ATOM 0 HA LEU A 93 -15.576 -2.692 11.712 1.00 0.32 H new ATOM 0 HB2 LEU A 93 -13.745 -4.564 11.531 1.00 0.28 H new ATOM 0 HB3 LEU A 93 -15.337 -4.818 10.843 1.00 0.28 H new ATOM 0 HG LEU A 93 -13.154 -3.696 9.106 1.00 0.39 H new ATOM 0 HD11 LEU A 93 -12.477 -5.980 8.503 1.00 0.39 H new ATOM 0 HD12 LEU A 93 -12.130 -5.617 10.210 1.00 0.39 H new ATOM 0 HD13 LEU A 93 -13.532 -6.627 9.781 1.00 0.39 H new ATOM 0 HD21 LEU A 93 -14.391 -4.915 7.366 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -15.523 -5.519 8.599 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -15.439 -3.777 8.246 1.00 0.56 H new ATOM 1436 N SER A 94 -13.171 -2.405 12.766 1.00 0.35 N ATOM 1437 CA SER A 94 -12.023 -1.799 13.423 1.00 0.32 C ATOM 1438 C SER A 94 -10.740 -2.525 13.023 1.00 0.28 C ATOM 1439 O SER A 94 -10.783 -3.531 12.317 1.00 0.34 O ATOM 1440 CB SER A 94 -12.204 -1.835 14.939 1.00 0.35 C ATOM 1441 OG SER A 94 -12.774 -0.624 15.408 1.00 0.92 O ATOM 0 H SER A 94 -13.643 -3.123 13.316 1.00 0.35 H new ATOM 0 HA SER A 94 -11.946 -0.759 13.106 1.00 0.32 H new ATOM 0 HB2 SER A 94 -12.844 -2.673 15.213 1.00 0.35 H new ATOM 0 HB3 SER A 94 -11.240 -1.999 15.421 1.00 0.35 H new ATOM 0 HG SER A 94 -12.883 -0.669 16.381 1.00 0.92 H new ATOM 1447 N LYS A 95 -9.598 -2.012 13.470 1.00 0.25 N ATOM 1448 CA LYS A 95 -8.316 -2.626 13.138 1.00 0.22 C ATOM 1449 C LYS A 95 -8.162 -3.994 13.792 1.00 0.21 C ATOM 1450 O LYS A 95 -7.513 -4.880 13.236 1.00 0.19 O ATOM 1451 CB LYS A 95 -7.160 -1.720 13.561 1.00 0.25 C ATOM 1452 CG LYS A 95 -5.799 -2.297 13.214 1.00 0.24 C ATOM 1453 CD LYS A 95 -4.809 -1.214 12.815 1.00 0.30 C ATOM 1454 CE LYS A 95 -3.473 -1.810 12.396 1.00 0.36 C ATOM 1455 NZ LYS A 95 -2.328 -0.941 12.781 1.00 0.95 N ATOM 0 H LYS A 95 -9.533 -1.181 14.057 1.00 0.25 H new ATOM 0 HA LYS A 95 -8.292 -2.760 12.057 1.00 0.22 H new ATOM 0 HB2 LYS A 95 -7.271 -0.749 13.079 1.00 0.25 H new ATOM 0 HB3 LYS A 95 -7.213 -1.550 14.636 1.00 0.25 H new ATOM 0 HG2 LYS A 95 -5.409 -2.848 14.070 1.00 0.24 H new ATOM 0 HG3 LYS A 95 -5.905 -3.011 12.397 1.00 0.24 H new ATOM 0 HD2 LYS A 95 -5.221 -0.627 11.994 1.00 0.30 H new ATOM 0 HD3 LYS A 95 -4.658 -0.531 13.651 1.00 0.30 H new ATOM 0 HE2 LYS A 95 -3.354 -2.791 12.856 1.00 0.36 H new ATOM 0 HE3 LYS A 95 -3.466 -1.961 11.317 1.00 0.36 H new ATOM 0 HZ1 LYS A 95 -1.438 -1.385 12.477 1.00 0.95 H new ATOM 0 HZ2 LYS A 95 -2.427 -0.013 12.322 1.00 0.95 H new ATOM 0 HZ3 LYS A 95 -2.318 -0.817 13.814 1.00 0.95 H new ATOM 1469 N GLY A 96 -8.726 -4.160 14.982 1.00 0.22 N ATOM 1470 CA GLY A 96 -8.614 -5.427 15.669 1.00 0.21 C ATOM 1471 C GLY A 96 -9.551 -6.477 15.112 1.00 0.21 C ATOM 1472 O GLY A 96 -9.236 -7.671 15.132 1.00 0.21 O ATOM 0 H GLY A 96 -9.255 -3.443 15.479 1.00 0.22 H new ATOM 0 HA2 GLY A 96 -7.587 -5.786 15.596 1.00 0.21 H new ATOM 0 HA3 GLY A 96 -8.826 -5.282 16.728 1.00 0.21 H new ATOM 1476 N GLN A 97 -10.701 -6.044 14.610 1.00 0.23 N ATOM 1477 CA GLN A 97 -11.665 -6.966 14.047 1.00 0.24 C ATOM 1478 C GLN A 97 -11.203 -7.456 12.678 1.00 0.23 C ATOM 1479 O GLN A 97 -11.512 -8.573 12.266 1.00 0.23 O ATOM 1480 CB GLN A 97 -13.031 -6.302 13.937 1.00 0.26 C ATOM 1481 CG GLN A 97 -13.469 -5.563 15.201 1.00 0.28 C ATOM 1482 CD GLN A 97 -14.777 -4.820 15.000 1.00 0.62 C ATOM 1483 OE1 GLN A 97 -15.174 -4.555 13.867 1.00 0.89 O ATOM 1484 NE2 GLN A 97 -15.445 -4.457 16.088 1.00 1.37 N ATOM 0 H GLN A 97 -10.983 -5.064 14.584 1.00 0.23 H new ATOM 0 HA GLN A 97 -11.747 -7.826 14.711 1.00 0.24 H new ATOM 0 HB2 GLN A 97 -13.015 -5.598 13.105 1.00 0.26 H new ATOM 0 HB3 GLN A 97 -13.774 -7.062 13.697 1.00 0.26 H new ATOM 0 HG2 GLN A 97 -13.579 -6.276 16.018 1.00 0.28 H new ATOM 0 HG3 GLN A 97 -12.693 -4.857 15.496 1.00 0.28 H new ATOM 0 HE21 GLN A 97 -15.084 -4.695 17.012 1.00 1.37 H new ATOM 0 HE22 GLN A 97 -16.320 -3.940 16.001 1.00 1.37 H new ATOM 1493 N LEU A 98 -10.452 -6.612 11.983 1.00 0.23 N ATOM 1494 CA LEU A 98 -9.936 -6.980 10.673 1.00 0.22 C ATOM 1495 C LEU A 98 -8.784 -7.966 10.836 1.00 0.21 C ATOM 1496 O LEU A 98 -8.735 -9.004 10.176 1.00 0.21 O ATOM 1497 CB LEU A 98 -9.499 -5.743 9.879 1.00 0.22 C ATOM 1498 CG LEU A 98 -9.832 -5.807 8.387 1.00 0.23 C ATOM 1499 CD1 LEU A 98 -10.070 -4.411 7.827 1.00 0.34 C ATOM 1500 CD2 LEU A 98 -8.724 -6.517 7.621 1.00 0.39 C ATOM 0 H LEU A 98 -10.189 -5.679 12.300 1.00 0.23 H new ATOM 0 HA LEU A 98 -10.733 -7.460 10.105 1.00 0.22 H new ATOM 0 HB2 LEU A 98 -9.975 -4.862 10.309 1.00 0.22 H new ATOM 0 HB3 LEU A 98 -8.423 -5.612 9.995 1.00 0.22 H new ATOM 0 HG LEU A 98 -10.751 -6.380 8.265 1.00 0.23 H new ATOM 0 HD11 LEU A 98 -10.305 -4.480 6.765 1.00 0.34 H new ATOM 0 HD12 LEU A 98 -10.903 -3.945 8.353 1.00 0.34 H new ATOM 0 HD13 LEU A 98 -9.172 -3.807 7.961 1.00 0.34 H new ATOM 0 HD21 LEU A 98 -8.979 -6.553 6.562 1.00 0.39 H new ATOM 0 HD22 LEU A 98 -7.787 -5.975 7.751 1.00 0.39 H new ATOM 0 HD23 LEU A 98 -8.612 -7.532 8.001 1.00 0.39 H new ATOM 1512 N LYS A 99 -7.852 -7.620 11.722 1.00 0.20 N ATOM 1513 CA LYS A 99 -6.687 -8.458 11.995 1.00 0.20 C ATOM 1514 C LYS A 99 -7.105 -9.813 12.550 1.00 0.19 C ATOM 1515 O LYS A 99 -6.628 -10.854 12.099 1.00 0.18 O ATOM 1516 CB LYS A 99 -5.761 -7.765 12.996 1.00 0.21 C ATOM 1517 CG LYS A 99 -4.305 -8.175 12.865 1.00 0.27 C ATOM 1518 CD LYS A 99 -3.491 -7.762 14.083 1.00 0.44 C ATOM 1519 CE LYS A 99 -3.617 -8.765 15.219 1.00 0.66 C ATOM 1520 NZ LYS A 99 -2.820 -8.347 16.407 1.00 1.27 N ATOM 0 H LYS A 99 -7.882 -6.758 12.267 1.00 0.20 H new ATOM 0 HA LYS A 99 -6.159 -8.613 11.054 1.00 0.20 H new ATOM 0 HB2 LYS A 99 -5.839 -6.686 12.863 1.00 0.21 H new ATOM 0 HB3 LYS A 99 -6.102 -7.987 14.007 1.00 0.21 H new ATOM 0 HG2 LYS A 99 -4.242 -9.255 12.734 1.00 0.27 H new ATOM 0 HG3 LYS A 99 -3.878 -7.720 11.971 1.00 0.27 H new ATOM 0 HD2 LYS A 99 -2.443 -7.663 13.802 1.00 0.44 H new ATOM 0 HD3 LYS A 99 -3.823 -6.782 14.426 1.00 0.44 H new ATOM 0 HE2 LYS A 99 -4.665 -8.868 15.500 1.00 0.66 H new ATOM 0 HE3 LYS A 99 -3.280 -9.745 14.880 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 -2.928 -9.053 17.163 1.00 1.27 H new ATOM 0 HZ2 LYS A 99 -1.817 -8.273 16.143 1.00 1.27 H new ATOM 0 HZ3 LYS A 99 -3.158 -7.423 16.745 1.00 1.27 H new ATOM 1534 N GLU A 100 -8.020 -9.797 13.513 1.00 0.21 N ATOM 1535 CA GLU A 100 -8.509 -11.029 14.111 1.00 0.21 C ATOM 1536 C GLU A 100 -9.123 -11.919 13.038 1.00 0.19 C ATOM 1537 O GLU A 100 -8.919 -13.133 13.022 1.00 0.19 O ATOM 1538 CB GLU A 100 -9.537 -10.736 15.215 1.00 0.24 C ATOM 1539 CG GLU A 100 -10.907 -10.333 14.709 1.00 0.27 C ATOM 1540 CD GLU A 100 -11.852 -11.510 14.563 1.00 0.96 C ATOM 1541 OE1 GLU A 100 -11.752 -12.457 15.372 1.00 1.83 O ATOM 1542 OE2 GLU A 100 -12.696 -11.479 13.646 1.00 1.47 O ATOM 0 H GLU A 100 -8.435 -8.947 13.894 1.00 0.21 H new ATOM 0 HA GLU A 100 -7.666 -11.549 14.566 1.00 0.21 H new ATOM 0 HB2 GLU A 100 -9.641 -11.622 15.841 1.00 0.24 H new ATOM 0 HB3 GLU A 100 -9.150 -9.940 15.852 1.00 0.24 H new ATOM 0 HG2 GLU A 100 -11.343 -9.607 15.395 1.00 0.27 H new ATOM 0 HG3 GLU A 100 -10.801 -9.837 13.744 1.00 0.27 H new ATOM 1549 N PHE A 101 -9.853 -11.293 12.118 1.00 0.19 N ATOM 1550 CA PHE A 101 -10.483 -12.009 11.020 1.00 0.20 C ATOM 1551 C PHE A 101 -9.437 -12.695 10.147 1.00 0.17 C ATOM 1552 O PHE A 101 -9.607 -13.842 9.729 1.00 0.17 O ATOM 1553 CB PHE A 101 -11.326 -11.036 10.186 1.00 0.24 C ATOM 1554 CG PHE A 101 -12.275 -11.715 9.243 1.00 0.24 C ATOM 1555 CD1 PHE A 101 -13.105 -12.732 9.685 1.00 0.27 C ATOM 1556 CD2 PHE A 101 -12.328 -11.340 7.913 1.00 0.29 C ATOM 1557 CE1 PHE A 101 -13.969 -13.364 8.815 1.00 0.30 C ATOM 1558 CE2 PHE A 101 -13.192 -11.965 7.036 1.00 0.33 C ATOM 1559 CZ PHE A 101 -14.013 -12.981 7.489 1.00 0.31 C ATOM 0 H PHE A 101 -10.021 -10.287 12.115 1.00 0.19 H new ATOM 0 HA PHE A 101 -11.133 -12.781 11.432 1.00 0.20 H new ATOM 0 HB2 PHE A 101 -11.894 -10.393 10.858 1.00 0.24 H new ATOM 0 HB3 PHE A 101 -10.660 -10.390 9.614 1.00 0.24 H new ATOM 0 HD1 PHE A 101 -13.075 -13.033 10.722 1.00 0.27 H new ATOM 0 HD2 PHE A 101 -11.686 -10.549 7.556 1.00 0.29 H new ATOM 0 HE1 PHE A 101 -14.610 -14.157 9.170 1.00 0.30 H new ATOM 0 HE2 PHE A 101 -13.226 -11.661 6.000 1.00 0.33 H new ATOM 0 HZ PHE A 101 -14.688 -13.475 6.806 1.00 0.31 H new ATOM 1569 N LEU A 102 -8.340 -11.990 9.896 1.00 0.17 N ATOM 1570 CA LEU A 102 -7.257 -12.530 9.088 1.00 0.17 C ATOM 1571 C LEU A 102 -6.579 -13.670 9.828 1.00 0.17 C ATOM 1572 O LEU A 102 -6.447 -14.769 9.299 1.00 0.17 O ATOM 1573 CB LEU A 102 -6.256 -11.432 8.733 1.00 0.22 C ATOM 1574 CG LEU A 102 -6.469 -10.814 7.349 1.00 0.27 C ATOM 1575 CD1 LEU A 102 -5.592 -9.588 7.160 1.00 0.42 C ATOM 1576 CD2 LEU A 102 -6.200 -11.835 6.255 1.00 0.22 C ATOM 0 H LEU A 102 -8.179 -11.044 10.241 1.00 0.17 H new ATOM 0 HA LEU A 102 -7.668 -12.920 8.157 1.00 0.17 H new ATOM 0 HB2 LEU A 102 -6.316 -10.644 9.484 1.00 0.22 H new ATOM 0 HB3 LEU A 102 -5.248 -11.844 8.784 1.00 0.22 H new ATOM 0 HG LEU A 102 -7.511 -10.501 7.279 1.00 0.27 H new ATOM 0 HD11 LEU A 102 -5.762 -9.168 6.169 1.00 0.42 H new ATOM 0 HD12 LEU A 102 -5.839 -8.844 7.917 1.00 0.42 H new ATOM 0 HD13 LEU A 102 -4.544 -9.872 7.259 1.00 0.42 H new ATOM 0 HD21 LEU A 102 -6.358 -11.374 5.280 1.00 0.22 H new ATOM 0 HD22 LEU A 102 -5.170 -12.185 6.329 1.00 0.22 H new ATOM 0 HD23 LEU A 102 -6.879 -12.680 6.371 1.00 0.22 H new ATOM 1588 N ASP A 103 -6.166 -13.414 11.068 1.00 0.18 N ATOM 1589 CA ASP A 103 -5.518 -14.444 11.876 1.00 0.21 C ATOM 1590 C ASP A 103 -6.365 -15.724 11.888 1.00 0.20 C ATOM 1591 O ASP A 103 -5.834 -16.835 11.887 1.00 0.23 O ATOM 1592 CB ASP A 103 -5.305 -13.948 13.310 1.00 0.25 C ATOM 1593 CG ASP A 103 -3.977 -14.396 13.890 1.00 0.34 C ATOM 1594 OD1 ASP A 103 -3.489 -15.473 13.488 1.00 1.04 O ATOM 1595 OD2 ASP A 103 -3.426 -13.673 14.747 1.00 1.18 O ATOM 0 H ASP A 103 -6.267 -12.511 11.531 1.00 0.18 H new ATOM 0 HA ASP A 103 -4.547 -14.665 11.433 1.00 0.21 H new ATOM 0 HB2 ASP A 103 -5.355 -12.859 13.325 1.00 0.25 H new ATOM 0 HB3 ASP A 103 -6.115 -14.314 13.941 1.00 0.25 H new ATOM 1600 N ALA A 104 -7.687 -15.549 11.907 1.00 0.18 N ATOM 1601 CA ALA A 104 -8.623 -16.670 11.924 1.00 0.20 C ATOM 1602 C ALA A 104 -8.713 -17.385 10.576 1.00 0.19 C ATOM 1603 O ALA A 104 -9.170 -18.527 10.507 1.00 0.22 O ATOM 1604 CB ALA A 104 -10.000 -16.190 12.358 1.00 0.22 C ATOM 0 H ALA A 104 -8.135 -14.633 11.911 1.00 0.18 H new ATOM 0 HA ALA A 104 -8.242 -17.396 12.642 1.00 0.20 H new ATOM 0 HB1 ALA A 104 -10.692 -17.032 12.368 1.00 0.22 H new ATOM 0 HB2 ALA A 104 -9.937 -15.760 13.358 1.00 0.22 H new ATOM 0 HB3 ALA A 104 -10.359 -15.434 11.660 1.00 0.22 H new ATOM 1610 N ASN A 105 -8.293 -16.717 9.503 1.00 0.17 N ATOM 1611 CA ASN A 105 -8.355 -17.306 8.168 1.00 0.18 C ATOM 1612 C ASN A 105 -6.959 -17.690 7.688 1.00 0.21 C ATOM 1613 O ASN A 105 -6.745 -18.782 7.161 1.00 0.42 O ATOM 1614 CB ASN A 105 -8.978 -16.297 7.202 1.00 0.20 C ATOM 1615 CG ASN A 105 -10.224 -16.813 6.525 1.00 0.22 C ATOM 1616 OD1 ASN A 105 -11.061 -17.462 7.148 1.00 0.25 O ATOM 1617 ND2 ASN A 105 -10.341 -16.541 5.235 1.00 0.24 N ATOM 0 H ASN A 105 -7.908 -15.773 9.532 1.00 0.17 H new ATOM 0 HA ASN A 105 -8.967 -18.208 8.204 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -9.220 -15.384 7.746 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -8.244 -16.030 6.442 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -11.153 -16.874 4.715 1.00 0.24 H new ATOM 0 HD22 ASN A 105 -9.619 -15.998 4.761 1.00 0.24 H new ATOM 1624 N LEU A 106 -6.011 -16.793 7.903 1.00 0.19 N ATOM 1625 CA LEU A 106 -4.626 -17.029 7.524 1.00 0.20 C ATOM 1626 C LEU A 106 -4.070 -18.202 8.325 1.00 0.29 C ATOM 1627 O LEU A 106 -3.913 -18.112 9.543 1.00 1.05 O ATOM 1628 CB LEU A 106 -3.794 -15.785 7.807 1.00 0.24 C ATOM 1629 CG LEU A 106 -2.298 -15.931 7.518 1.00 0.36 C ATOM 1630 CD1 LEU A 106 -2.046 -16.219 6.048 1.00 1.33 C ATOM 1631 CD2 LEU A 106 -1.562 -14.677 7.942 1.00 1.37 C ATOM 0 H LEU A 106 -6.177 -15.887 8.342 1.00 0.19 H new ATOM 0 HA LEU A 106 -4.581 -17.259 6.460 1.00 0.20 H new ATOM 0 HB2 LEU A 106 -4.186 -14.960 7.211 1.00 0.24 H new ATOM 0 HB3 LEU A 106 -3.922 -15.511 8.854 1.00 0.24 H new ATOM 0 HG LEU A 106 -1.923 -16.777 8.093 1.00 0.36 H new ATOM 0 HD11 LEU A 106 -0.974 -16.317 5.875 1.00 1.33 H new ATOM 0 HD12 LEU A 106 -2.545 -17.147 5.768 1.00 1.33 H new ATOM 0 HD13 LEU A 106 -2.437 -15.400 5.444 1.00 1.33 H new ATOM 0 HD21 LEU A 106 -0.498 -14.791 7.732 1.00 1.37 H new ATOM 0 HD22 LEU A 106 -1.951 -13.822 7.389 1.00 1.37 H new ATOM 0 HD23 LEU A 106 -1.706 -14.514 9.010 1.00 1.37 H new ATOM 1643 N VAL A 107 -3.780 -19.299 7.641 1.00 0.90 N ATOM 1644 CA VAL A 107 -3.249 -20.491 8.294 1.00 1.00 C ATOM 1645 C VAL A 107 -2.465 -21.347 7.302 1.00 1.24 C ATOM 1646 O VAL A 107 -2.067 -20.811 6.246 1.00 1.66 O ATOM 1647 CB VAL A 107 -4.377 -21.344 8.915 1.00 0.94 C ATOM 1648 CG1 VAL A 107 -5.126 -20.570 9.988 1.00 0.60 C ATOM 1649 CG2 VAL A 107 -5.336 -21.818 7.838 1.00 1.67 C ATOM 0 H VAL A 107 -3.903 -19.390 6.633 1.00 0.90 H new ATOM 0 HA VAL A 107 -2.585 -20.152 9.089 1.00 1.00 H new ATOM 0 HB VAL A 107 -3.919 -22.214 9.386 1.00 0.94 H new ATOM 0 HG11 VAL A 107 -5.914 -21.197 10.406 1.00 0.60 H new ATOM 0 HG12 VAL A 107 -4.434 -20.282 10.779 1.00 0.60 H new ATOM 0 HG13 VAL A 107 -5.569 -19.676 9.549 1.00 0.60 H new ATOM 0 HG21 VAL A 107 -6.125 -22.418 8.292 1.00 1.67 H new ATOM 0 HG22 VAL A 107 -5.777 -20.956 7.339 1.00 1.67 H new ATOM 0 HG23 VAL A 107 -4.795 -22.422 7.109 1.00 1.67 H new TER 1659 VAL A 107