USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 619 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 ALA N :NH3+ -113:sc= 0.11 (180deg=0) USER MOD Single : A 9 TYR OH : rot -110:sc= -5.79! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 29 LYS NZ :NH3+ -107:sc= -0.763 (180deg=-3.03!) USER MOD Single : A 34 HIS : no HE2:sc= -0.57 K(o=-0.57,f=-1.7) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00969 USER MOD Single : A 37 GLN : amide:sc= -4.56! C(o=-4.6!,f=-11!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -0.265 (180deg=-1.29!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.9!) USER MOD Single : A 52 MET CE :methyl 174:sc= 0 (180deg=-0.0576) USER MOD Single : A 54 GLN : amide:sc= -0.708 X(o=-0.71,f=-0.55) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.474 K(o=-0.47,f=-1) USER MOD Single : A 72 SER OG : rot -137:sc= -3.4! USER MOD Single : A 74 LYS NZ :NH3+ 134:sc= -0.0209 (180deg=-0.563) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.550 9.194 6.067 1.00 0.00 N ATOM 2 CA ALA A 1 16.069 7.851 5.686 1.00 0.00 C ATOM 3 C ALA A 1 15.838 7.618 4.192 1.00 0.00 C ATOM 4 O ALA A 1 15.031 8.279 3.568 1.00 0.00 O ATOM 5 CB ALA A 1 15.338 6.774 6.490 1.00 0.00 C ATOM 0 H1 ALA A 1 16.344 9.809 6.337 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.046 9.613 5.260 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.897 9.099 6.871 1.00 0.00 H new ATOM 0 HA ALA A 1 17.137 7.801 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.718 5.791 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.505 6.939 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.270 6.824 6.278 1.00 0.00 H new ATOM 13 N GLU A 2 16.540 6.683 3.613 1.00 0.00 N ATOM 14 CA GLU A 2 16.361 6.410 2.159 1.00 0.00 C ATOM 15 C GLU A 2 15.380 5.261 1.972 1.00 0.00 C ATOM 16 O GLU A 2 14.711 4.844 2.897 1.00 0.00 O ATOM 17 CB GLU A 2 17.710 6.041 1.538 1.00 0.00 C ATOM 18 CG GLU A 2 18.399 7.305 1.023 1.00 0.00 C ATOM 19 CD GLU A 2 19.247 7.918 2.140 1.00 0.00 C ATOM 20 OE1 GLU A 2 20.207 7.283 2.545 1.00 0.00 O ATOM 21 OE2 GLU A 2 18.921 9.012 2.571 1.00 0.00 O ATOM 0 H GLU A 2 17.229 6.097 4.083 1.00 0.00 H new ATOM 0 HA GLU A 2 15.969 7.301 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 2 18.340 5.547 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.565 5.335 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 2 19.027 7.065 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.654 8.024 0.681 1.00 0.00 H new ATOM 28 N ILE A 3 15.274 4.755 0.776 1.00 0.00 N ATOM 29 CA ILE A 3 14.316 3.645 0.534 1.00 0.00 C ATOM 30 C ILE A 3 15.042 2.443 -0.067 1.00 0.00 C ATOM 31 O ILE A 3 15.557 2.490 -1.165 1.00 0.00 O ATOM 32 CB ILE A 3 13.199 4.106 -0.414 1.00 0.00 C ATOM 33 CG1 ILE A 3 13.319 5.611 -0.702 1.00 0.00 C ATOM 34 CG2 ILE A 3 11.852 3.836 0.247 1.00 0.00 C ATOM 35 CD1 ILE A 3 12.931 6.417 0.545 1.00 0.00 C ATOM 0 H ILE A 3 15.806 5.060 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 3 13.875 3.353 1.487 1.00 0.00 H new ATOM 0 HB ILE A 3 13.284 3.560 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 3 14.340 5.853 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 3 12.672 5.883 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.050 4.159 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.751 2.769 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 3 11.790 4.387 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 3 13.019 7.482 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 3 11.902 6.186 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 3 13.596 6.156 1.368 1.00 0.00 H new ATOM 47 N GLU A 4 15.072 1.359 0.657 1.00 0.00 N ATOM 48 CA GLU A 4 15.747 0.131 0.156 1.00 0.00 C ATOM 49 C GLU A 4 14.708 -0.983 0.028 1.00 0.00 C ATOM 50 O GLU A 4 13.756 -1.042 0.782 1.00 0.00 O ATOM 51 CB GLU A 4 16.834 -0.292 1.145 1.00 0.00 C ATOM 52 CG GLU A 4 18.004 -0.921 0.385 1.00 0.00 C ATOM 53 CD GLU A 4 18.255 -2.336 0.913 1.00 0.00 C ATOM 54 OE1 GLU A 4 17.728 -2.657 1.965 1.00 0.00 O ATOM 55 OE2 GLU A 4 18.971 -3.074 0.256 1.00 0.00 O ATOM 0 H GLU A 4 14.653 1.271 1.583 1.00 0.00 H new ATOM 0 HA GLU A 4 16.203 0.325 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 4 17.179 0.572 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.429 -1.005 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.783 -0.954 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.900 -0.312 0.506 1.00 0.00 H new ATOM 62 N VAL A 5 14.871 -1.865 -0.917 1.00 0.00 N ATOM 63 CA VAL A 5 13.879 -2.961 -1.078 1.00 0.00 C ATOM 64 C VAL A 5 13.990 -3.929 0.099 1.00 0.00 C ATOM 65 O VAL A 5 14.986 -3.974 0.792 1.00 0.00 O ATOM 66 CB VAL A 5 14.135 -3.694 -2.398 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.457 -5.068 -2.378 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.551 -2.862 -3.535 1.00 0.00 C ATOM 0 H VAL A 5 15.645 -1.874 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 5 12.872 -2.544 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 5 15.207 -3.832 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.645 -5.580 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.860 -5.660 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.383 -4.942 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.725 -3.370 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.479 -2.737 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.031 -1.884 -3.554 1.00 0.00 H new ATOM 78 N GLY A 6 12.962 -4.696 0.335 1.00 0.00 N ATOM 79 CA GLY A 6 12.994 -5.653 1.473 1.00 0.00 C ATOM 80 C GLY A 6 12.911 -4.871 2.783 1.00 0.00 C ATOM 81 O GLY A 6 13.053 -5.423 3.857 1.00 0.00 O ATOM 0 H GLY A 6 12.101 -4.700 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.162 -6.353 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.910 -6.242 1.444 1.00 0.00 H new ATOM 85 N ARG A 7 12.683 -3.586 2.705 1.00 0.00 N ATOM 86 CA ARG A 7 12.596 -2.772 3.952 1.00 0.00 C ATOM 87 C ARG A 7 11.141 -2.702 4.421 1.00 0.00 C ATOM 88 O ARG A 7 10.249 -3.238 3.794 1.00 0.00 O ATOM 89 CB ARG A 7 13.113 -1.359 3.677 1.00 0.00 C ATOM 90 CG ARG A 7 13.567 -0.722 4.993 1.00 0.00 C ATOM 91 CD ARG A 7 14.911 -0.023 4.782 1.00 0.00 C ATOM 92 NE ARG A 7 15.543 0.246 6.104 1.00 0.00 N ATOM 93 CZ ARG A 7 16.747 -0.194 6.350 1.00 0.00 C ATOM 94 NH1 ARG A 7 17.782 0.436 5.864 1.00 0.00 N ATOM 95 NH2 ARG A 7 16.915 -1.262 7.080 1.00 0.00 N ATOM 0 H ARG A 7 12.554 -3.068 1.836 1.00 0.00 H new ATOM 0 HA ARG A 7 13.203 -3.236 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.943 -1.394 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.330 -0.755 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.822 -0.005 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.659 -1.485 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.566 -0.647 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.766 0.911 4.239 1.00 0.00 H new ATOM 0 HE ARG A 7 15.036 0.773 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.649 1.271 5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.724 0.094 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.105 -1.753 7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.856 -1.606 7.272 1.00 0.00 H new ATOM 109 N VAL A 8 10.896 -2.045 5.523 1.00 0.00 N ATOM 110 CA VAL A 8 9.501 -1.940 6.037 1.00 0.00 C ATOM 111 C VAL A 8 9.051 -0.480 5.993 1.00 0.00 C ATOM 112 O VAL A 8 9.833 0.424 6.211 1.00 0.00 O ATOM 113 CB VAL A 8 9.456 -2.445 7.479 1.00 0.00 C ATOM 114 CG1 VAL A 8 8.029 -2.329 8.019 1.00 0.00 C ATOM 115 CG2 VAL A 8 9.897 -3.909 7.514 1.00 0.00 C ATOM 0 H VAL A 8 11.603 -1.576 6.090 1.00 0.00 H new ATOM 0 HA VAL A 8 8.836 -2.542 5.418 1.00 0.00 H new ATOM 0 HB VAL A 8 10.125 -1.845 8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.999 -2.689 9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.713 -1.286 7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.358 -2.929 7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.867 -4.274 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.226 -4.506 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.914 -3.992 7.129 1.00 0.00 H new ATOM 125 N TYR A 9 7.797 -0.234 5.714 1.00 0.00 N ATOM 126 CA TYR A 9 7.323 1.180 5.662 1.00 0.00 C ATOM 127 C TYR A 9 5.900 1.283 6.203 1.00 0.00 C ATOM 128 O TYR A 9 5.002 0.589 5.769 1.00 0.00 O ATOM 129 CB TYR A 9 7.327 1.690 4.218 1.00 0.00 C ATOM 130 CG TYR A 9 8.694 2.223 3.864 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.774 1.345 3.719 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.879 3.598 3.678 1.00 0.00 C ATOM 133 CE1 TYR A 9 11.040 1.843 3.389 1.00 0.00 C ATOM 134 CE2 TYR A 9 10.143 4.096 3.350 1.00 0.00 C ATOM 135 CZ TYR A 9 11.222 3.218 3.206 1.00 0.00 C ATOM 136 OH TYR A 9 12.469 3.712 2.891 1.00 0.00 O ATOM 0 H TYR A 9 7.088 -0.942 5.522 1.00 0.00 H new ATOM 0 HA TYR A 9 7.997 1.782 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.055 0.883 3.538 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.579 2.474 4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.631 0.284 3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.044 4.275 3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.875 1.167 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.286 5.157 3.208 1.00 0.00 H new ATOM 0 HH TYR A 9 12.823 4.216 3.653 1.00 0.00 H new ATOM 146 N THR A 10 5.681 2.171 7.124 1.00 0.00 N ATOM 147 CA THR A 10 4.312 2.357 7.669 1.00 0.00 C ATOM 148 C THR A 10 3.626 3.430 6.828 1.00 0.00 C ATOM 149 O THR A 10 4.057 4.566 6.792 1.00 0.00 O ATOM 150 CB THR A 10 4.392 2.812 9.128 1.00 0.00 C ATOM 151 OG1 THR A 10 5.561 2.270 9.727 1.00 0.00 O ATOM 152 CG2 THR A 10 3.154 2.324 9.882 1.00 0.00 C ATOM 0 H THR A 10 6.394 2.780 7.526 1.00 0.00 H new ATOM 0 HA THR A 10 3.752 1.423 7.631 1.00 0.00 H new ATOM 0 HB THR A 10 4.435 3.900 9.170 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.615 2.562 10.661 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.210 2.648 10.921 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.259 2.741 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.110 1.236 9.843 1.00 0.00 H new ATOM 160 N GLY A 11 2.585 3.087 6.124 1.00 0.00 N ATOM 161 CA GLY A 11 1.922 4.107 5.268 1.00 0.00 C ATOM 162 C GLY A 11 0.519 4.413 5.785 1.00 0.00 C ATOM 163 O GLY A 11 -0.208 3.536 6.204 1.00 0.00 O ATOM 0 H GLY A 11 2.169 2.156 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.517 5.020 5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.866 3.747 4.241 1.00 0.00 H new ATOM 167 N LYS A 12 0.130 5.655 5.731 1.00 0.00 N ATOM 168 CA LYS A 12 -1.231 6.036 6.187 1.00 0.00 C ATOM 169 C LYS A 12 -2.176 5.929 4.996 1.00 0.00 C ATOM 170 O LYS A 12 -1.750 5.911 3.857 1.00 0.00 O ATOM 171 CB LYS A 12 -1.228 7.484 6.691 1.00 0.00 C ATOM 172 CG LYS A 12 0.119 7.809 7.341 1.00 0.00 C ATOM 173 CD LYS A 12 0.119 9.266 7.812 1.00 0.00 C ATOM 174 CE LYS A 12 0.382 9.317 9.318 1.00 0.00 C ATOM 175 NZ LYS A 12 1.842 9.164 9.573 1.00 0.00 N ATOM 0 H LYS A 12 0.702 6.427 5.388 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.549 5.378 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.415 8.167 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.033 7.629 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.298 7.143 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.928 7.646 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.884 9.831 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.839 9.733 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.028 10.263 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.171 8.524 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.021 9.199 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.167 8.251 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.359 9.936 9.105 1.00 0.00 H new ATOM 189 N VAL A 13 -3.452 5.869 5.234 1.00 0.00 N ATOM 190 CA VAL A 13 -4.399 5.773 4.096 1.00 0.00 C ATOM 191 C VAL A 13 -4.743 7.187 3.636 1.00 0.00 C ATOM 192 O VAL A 13 -5.477 7.903 4.290 1.00 0.00 O ATOM 193 CB VAL A 13 -5.673 5.062 4.548 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.627 4.925 3.363 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.328 3.673 5.092 1.00 0.00 C ATOM 0 H VAL A 13 -3.878 5.882 6.161 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.947 5.209 3.280 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.151 5.646 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.536 4.418 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.879 5.915 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.147 4.345 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.241 3.171 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.846 3.086 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.651 3.772 5.941 1.00 0.00 H new ATOM 205 N THR A 14 -4.204 7.605 2.526 1.00 0.00 N ATOM 206 CA THR A 14 -4.485 8.985 2.044 1.00 0.00 C ATOM 207 C THR A 14 -5.329 8.938 0.767 1.00 0.00 C ATOM 208 O THR A 14 -5.683 9.961 0.215 1.00 0.00 O ATOM 209 CB THR A 14 -3.163 9.708 1.755 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.822 9.540 0.387 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.048 9.135 2.634 1.00 0.00 C ATOM 0 H THR A 14 -3.583 7.053 1.934 1.00 0.00 H new ATOM 0 HA THR A 14 -5.037 9.522 2.815 1.00 0.00 H new ATOM 0 HB THR A 14 -3.281 10.769 1.976 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.979 10.003 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.114 9.655 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.307 9.269 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.928 8.072 2.423 1.00 0.00 H new ATOM 219 N ARG A 15 -5.658 7.768 0.287 1.00 0.00 N ATOM 220 CA ARG A 15 -6.480 7.690 -0.955 1.00 0.00 C ATOM 221 C ARG A 15 -6.990 6.262 -1.166 1.00 0.00 C ATOM 222 O ARG A 15 -6.375 5.301 -0.751 1.00 0.00 O ATOM 223 CB ARG A 15 -5.626 8.104 -2.159 1.00 0.00 C ATOM 224 CG ARG A 15 -5.842 9.588 -2.452 1.00 0.00 C ATOM 225 CD ARG A 15 -4.585 10.372 -2.072 1.00 0.00 C ATOM 226 NE ARG A 15 -4.975 11.667 -1.445 1.00 0.00 N ATOM 227 CZ ARG A 15 -4.199 12.709 -1.563 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.907 12.580 -1.415 1.00 0.00 N ATOM 229 NH2 ARG A 15 -4.712 13.879 -1.825 1.00 0.00 N ATOM 0 H ARG A 15 -5.396 6.871 0.697 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.333 8.362 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.573 7.913 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.895 7.508 -3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.067 9.732 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.699 9.959 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.976 9.790 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.976 10.554 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.849 11.738 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.506 11.665 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.299 13.394 -1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.721 13.980 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.105 14.693 -1.917 1.00 0.00 H new ATOM 243 N ILE A 16 -8.109 6.126 -1.826 1.00 0.00 N ATOM 244 CA ILE A 16 -8.675 4.773 -2.100 1.00 0.00 C ATOM 245 C ILE A 16 -9.357 4.806 -3.469 1.00 0.00 C ATOM 246 O ILE A 16 -9.840 5.833 -3.901 1.00 0.00 O ATOM 247 CB ILE A 16 -9.699 4.399 -1.025 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.033 4.450 0.353 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.216 2.982 -1.287 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.050 4.059 1.426 1.00 0.00 C ATOM 0 H ILE A 16 -8.661 6.903 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.877 4.031 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.531 5.103 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.180 3.772 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.651 5.452 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.945 2.714 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.688 2.943 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.383 2.279 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.576 4.095 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.889 4.754 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.411 3.048 1.234 1.00 0.00 H new ATOM 262 N VAL A 17 -9.389 3.703 -4.168 1.00 0.00 N ATOM 263 CA VAL A 17 -10.028 3.709 -5.514 1.00 0.00 C ATOM 264 C VAL A 17 -11.083 2.590 -5.596 1.00 0.00 C ATOM 265 O VAL A 17 -11.014 1.604 -4.890 1.00 0.00 O ATOM 266 CB VAL A 17 -8.943 3.529 -6.605 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.559 3.805 -6.028 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.941 2.109 -7.156 1.00 0.00 C ATOM 0 H VAL A 17 -9.004 2.807 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.529 4.663 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.174 4.233 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.808 3.674 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.519 4.828 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.360 3.111 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.168 2.016 -7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.740 1.406 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.914 1.888 -7.595 1.00 0.00 H new ATOM 278 N ASP A 18 -12.044 2.721 -6.467 1.00 0.00 N ATOM 279 CA ASP A 18 -13.075 1.650 -6.589 1.00 0.00 C ATOM 280 C ASP A 18 -12.397 0.330 -6.980 1.00 0.00 C ATOM 281 O ASP A 18 -12.775 -0.731 -6.523 1.00 0.00 O ATOM 282 CB ASP A 18 -14.094 2.038 -7.662 1.00 0.00 C ATOM 283 CG ASP A 18 -15.315 2.677 -6.998 1.00 0.00 C ATOM 284 OD1 ASP A 18 -15.295 3.880 -6.796 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.250 1.952 -6.701 1.00 0.00 O ATOM 0 H ASP A 18 -12.161 3.516 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.585 1.528 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.645 2.735 -8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.394 1.157 -8.229 1.00 0.00 H new ATOM 290 N PHE A 19 -11.402 0.388 -7.825 1.00 0.00 N ATOM 291 CA PHE A 19 -10.704 -0.862 -8.251 1.00 0.00 C ATOM 292 C PHE A 19 -9.468 -1.106 -7.380 1.00 0.00 C ATOM 293 O PHE A 19 -8.520 -1.734 -7.807 1.00 0.00 O ATOM 294 CB PHE A 19 -10.258 -0.728 -9.713 1.00 0.00 C ATOM 295 CG PHE A 19 -9.579 0.607 -9.911 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.257 0.792 -9.486 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.279 1.665 -10.502 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.635 2.039 -9.654 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.657 2.907 -10.672 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.336 3.095 -10.248 1.00 0.00 C ATOM 0 H PHE A 19 -11.042 1.248 -8.239 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.394 -1.699 -8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.575 -1.537 -9.972 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.119 -0.812 -10.376 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.717 -0.024 -9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.299 1.523 -10.827 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.616 2.184 -9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.197 3.722 -11.131 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.858 4.055 -10.379 1.00 0.00 H new ATOM 310 N GLY A 20 -9.452 -0.619 -6.167 1.00 0.00 N ATOM 311 CA GLY A 20 -8.255 -0.843 -5.307 1.00 0.00 C ATOM 312 C GLY A 20 -8.153 0.248 -4.235 1.00 0.00 C ATOM 313 O GLY A 20 -9.137 0.833 -3.835 1.00 0.00 O ATOM 0 H GLY A 20 -10.207 -0.082 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.319 -1.822 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.354 -0.844 -5.920 1.00 0.00 H new ATOM 317 N ALA A 21 -6.967 0.518 -3.756 1.00 0.00 N ATOM 318 CA ALA A 21 -6.803 1.561 -2.705 1.00 0.00 C ATOM 319 C ALA A 21 -5.407 2.166 -2.804 1.00 0.00 C ATOM 320 O ALA A 21 -4.457 1.500 -3.145 1.00 0.00 O ATOM 321 CB ALA A 21 -6.964 0.927 -1.326 1.00 0.00 C ATOM 0 H ALA A 21 -6.104 0.059 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.557 2.335 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.844 1.691 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.956 0.482 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.208 0.154 -1.190 1.00 0.00 H new ATOM 327 N PHE A 22 -5.279 3.427 -2.509 1.00 0.00 N ATOM 328 CA PHE A 22 -3.949 4.088 -2.571 1.00 0.00 C ATOM 329 C PHE A 22 -3.460 4.367 -1.147 1.00 0.00 C ATOM 330 O PHE A 22 -4.238 4.426 -0.215 1.00 0.00 O ATOM 331 CB PHE A 22 -4.082 5.410 -3.331 1.00 0.00 C ATOM 332 CG PHE A 22 -4.304 5.143 -4.804 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.386 3.829 -5.285 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.419 6.218 -5.690 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.581 3.591 -6.647 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.612 5.980 -7.057 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.693 4.665 -7.533 1.00 0.00 C ATOM 0 H PHE A 22 -6.048 4.034 -2.225 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.236 3.441 -3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.914 5.988 -2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.182 6.010 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.298 2.998 -4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.359 7.231 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.645 2.578 -7.015 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.698 6.810 -7.743 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.842 4.481 -8.587 1.00 0.00 H new ATOM 347 N VAL A 23 -2.180 4.537 -0.969 1.00 0.00 N ATOM 348 CA VAL A 23 -1.648 4.812 0.398 1.00 0.00 C ATOM 349 C VAL A 23 -0.445 5.756 0.289 1.00 0.00 C ATOM 350 O VAL A 23 0.117 5.937 -0.772 1.00 0.00 O ATOM 351 CB VAL A 23 -1.225 3.489 1.051 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.242 3.758 2.191 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.460 2.786 1.614 1.00 0.00 C ATOM 0 H VAL A 23 -1.479 4.498 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.417 5.282 1.011 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.745 2.860 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.052 2.813 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.641 4.262 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.718 4.391 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.163 1.846 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.935 3.425 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.164 2.585 0.807 1.00 0.00 H new ATOM 363 N ALA A 24 -0.047 6.366 1.375 1.00 0.00 N ATOM 364 CA ALA A 24 1.115 7.299 1.310 1.00 0.00 C ATOM 365 C ALA A 24 2.038 7.077 2.515 1.00 0.00 C ATOM 366 O ALA A 24 1.585 6.769 3.595 1.00 0.00 O ATOM 367 CB ALA A 24 0.600 8.741 1.326 1.00 0.00 C ATOM 0 H ALA A 24 -0.472 6.260 2.296 1.00 0.00 H new ATOM 0 HA ALA A 24 1.675 7.112 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.444 9.429 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.050 8.905 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.039 8.917 2.244 1.00 0.00 H new ATOM 373 N ILE A 25 3.329 7.247 2.352 1.00 0.00 N ATOM 374 CA ILE A 25 4.246 7.059 3.516 1.00 0.00 C ATOM 375 C ILE A 25 4.738 8.431 3.978 1.00 0.00 C ATOM 376 O ILE A 25 5.764 8.554 4.617 1.00 0.00 O ATOM 377 CB ILE A 25 5.446 6.189 3.122 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.779 6.403 1.645 1.00 0.00 C ATOM 379 CG2 ILE A 25 5.118 4.713 3.362 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.947 5.497 1.249 1.00 0.00 C ATOM 0 H ILE A 25 3.781 7.504 1.474 1.00 0.00 H new ATOM 0 HA ILE A 25 3.708 6.559 4.321 1.00 0.00 H new ATOM 0 HB ILE A 25 6.305 6.472 3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.908 6.181 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.038 7.447 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.974 4.100 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.891 4.557 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.255 4.430 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.185 5.649 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.819 5.740 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.671 4.455 1.412 1.00 0.00 H new ATOM 392 N GLY A 26 4.007 9.465 3.657 1.00 0.00 N ATOM 393 CA GLY A 26 4.421 10.837 4.071 1.00 0.00 C ATOM 394 C GLY A 26 3.973 11.846 3.011 1.00 0.00 C ATOM 395 O GLY A 26 2.918 11.717 2.423 1.00 0.00 O ATOM 0 H GLY A 26 3.138 9.418 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.979 11.086 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.503 10.880 4.195 1.00 0.00 H new ATOM 399 N GLY A 27 4.768 12.852 2.761 1.00 0.00 N ATOM 400 CA GLY A 27 4.389 13.867 1.737 1.00 0.00 C ATOM 401 C GLY A 27 5.331 13.757 0.536 1.00 0.00 C ATOM 402 O GLY A 27 5.323 14.588 -0.350 1.00 0.00 O ATOM 0 H GLY A 27 5.663 13.014 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.358 13.711 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.443 14.868 2.165 1.00 0.00 H new ATOM 406 N GLY A 28 6.144 12.736 0.500 1.00 0.00 N ATOM 407 CA GLY A 28 7.086 12.573 -0.643 1.00 0.00 C ATOM 408 C GLY A 28 6.786 11.259 -1.369 1.00 0.00 C ATOM 409 O GLY A 28 6.334 11.252 -2.495 1.00 0.00 O ATOM 0 H GLY A 28 6.196 12.008 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.987 13.412 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.115 12.575 -0.283 1.00 0.00 H new ATOM 413 N LYS A 29 7.033 10.147 -0.732 1.00 0.00 N ATOM 414 CA LYS A 29 6.761 8.839 -1.390 1.00 0.00 C ATOM 415 C LYS A 29 5.402 8.307 -0.928 1.00 0.00 C ATOM 416 O LYS A 29 4.948 8.584 0.169 1.00 0.00 O ATOM 417 CB LYS A 29 7.857 7.838 -1.021 1.00 0.00 C ATOM 418 CG LYS A 29 9.157 8.217 -1.735 1.00 0.00 C ATOM 419 CD LYS A 29 10.102 8.909 -0.748 1.00 0.00 C ATOM 420 CE LYS A 29 11.211 9.630 -1.518 1.00 0.00 C ATOM 421 NZ LYS A 29 12.326 8.680 -1.793 1.00 0.00 N ATOM 0 H LYS A 29 7.411 10.088 0.214 1.00 0.00 H new ATOM 0 HA LYS A 29 6.748 8.975 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.011 7.832 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.554 6.830 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.632 7.326 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.943 8.879 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.548 9.621 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.535 8.175 -0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.819 10.027 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.577 10.479 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.135 8.908 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.010 7.708 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.612 8.760 -2.790 1.00 0.00 H new ATOM 435 N GLU A 30 4.741 7.545 -1.751 1.00 0.00 N ATOM 436 CA GLU A 30 3.417 7.012 -1.340 1.00 0.00 C ATOM 437 C GLU A 30 3.316 5.527 -1.683 1.00 0.00 C ATOM 438 O GLU A 30 3.947 5.041 -2.600 1.00 0.00 O ATOM 439 CB GLU A 30 2.305 7.781 -2.058 1.00 0.00 C ATOM 440 CG GLU A 30 2.788 8.214 -3.444 1.00 0.00 C ATOM 441 CD GLU A 30 1.765 9.167 -4.066 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.616 8.773 -4.186 1.00 0.00 O ATOM 443 OE2 GLU A 30 2.146 10.273 -4.409 1.00 0.00 O ATOM 0 H GLU A 30 5.057 7.271 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 30 3.307 7.135 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.418 7.154 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.018 8.655 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.758 8.705 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.923 7.341 -4.083 1.00 0.00 H new ATOM 450 N GLY A 31 2.509 4.806 -0.956 1.00 0.00 N ATOM 451 CA GLY A 31 2.342 3.354 -1.234 1.00 0.00 C ATOM 452 C GLY A 31 1.022 3.151 -1.974 1.00 0.00 C ATOM 453 O GLY A 31 0.359 4.103 -2.335 1.00 0.00 O ATOM 0 H GLY A 31 1.955 5.163 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.174 2.985 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.345 2.787 -0.303 1.00 0.00 H new ATOM 457 N LEU A 32 0.623 1.932 -2.199 1.00 0.00 N ATOM 458 CA LEU A 32 -0.666 1.711 -2.909 1.00 0.00 C ATOM 459 C LEU A 32 -1.309 0.404 -2.463 1.00 0.00 C ATOM 460 O LEU A 32 -0.769 -0.665 -2.666 1.00 0.00 O ATOM 461 CB LEU A 32 -0.442 1.640 -4.413 1.00 0.00 C ATOM 462 CG LEU A 32 -1.781 1.907 -5.093 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.711 3.235 -5.828 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.113 0.789 -6.079 1.00 0.00 C ATOM 0 H LEU A 32 1.126 1.088 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.321 2.548 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.299 2.376 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.057 0.660 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.564 1.944 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.666 3.431 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.496 4.033 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.921 3.194 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.072 0.996 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.335 0.732 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.170 -0.161 -5.547 1.00 0.00 H new ATOM 476 N VAL A 33 -2.481 0.472 -1.900 1.00 0.00 N ATOM 477 CA VAL A 33 -3.173 -0.772 -1.497 1.00 0.00 C ATOM 478 C VAL A 33 -4.149 -1.144 -2.616 1.00 0.00 C ATOM 479 O VAL A 33 -5.353 -1.148 -2.435 1.00 0.00 O ATOM 480 CB VAL A 33 -3.941 -0.546 -0.196 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.377 -1.894 0.380 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.041 0.169 0.810 1.00 0.00 C ATOM 0 H VAL A 33 -2.986 1.336 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.451 -1.572 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.821 0.066 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.925 -1.733 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.020 -2.405 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.497 -2.506 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.589 0.330 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.161 -0.442 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.730 1.130 0.401 1.00 0.00 H new ATOM 492 N HIS A 34 -3.646 -1.437 -3.785 1.00 0.00 N ATOM 493 CA HIS A 34 -4.562 -1.794 -4.898 1.00 0.00 C ATOM 494 C HIS A 34 -5.568 -2.824 -4.380 1.00 0.00 C ATOM 495 O HIS A 34 -5.396 -3.390 -3.318 1.00 0.00 O ATOM 496 CB HIS A 34 -3.769 -2.387 -6.063 1.00 0.00 C ATOM 497 CG HIS A 34 -4.581 -2.273 -7.323 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.717 -3.328 -8.212 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.310 -1.237 -7.857 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.501 -2.907 -9.223 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.890 -1.640 -9.056 1.00 0.00 N ATOM 0 H HIS A 34 -2.652 -1.444 -4.013 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.081 -0.903 -5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.821 -1.861 -6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.532 -3.432 -5.862 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.300 -4.254 -8.118 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.416 -0.258 -7.413 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.781 -3.520 -10.067 1.00 0.00 H new ATOM 509 N ILE A 35 -6.620 -3.062 -5.106 1.00 0.00 N ATOM 510 CA ILE A 35 -7.640 -4.044 -4.640 1.00 0.00 C ATOM 511 C ILE A 35 -6.981 -5.400 -4.352 1.00 0.00 C ATOM 512 O ILE A 35 -7.108 -5.937 -3.268 1.00 0.00 O ATOM 513 CB ILE A 35 -8.718 -4.207 -5.715 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.613 -5.399 -5.365 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.058 -4.449 -7.073 1.00 0.00 C ATOM 516 CD1 ILE A 35 -11.063 -4.930 -5.239 1.00 0.00 C ATOM 0 H ILE A 35 -6.820 -2.620 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.095 -3.676 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.320 -3.300 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.533 -6.165 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.284 -5.852 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.828 -4.565 -7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.422 -3.600 -7.325 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.453 -5.355 -7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.700 -5.779 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.135 -4.179 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.389 -4.497 -6.185 1.00 0.00 H new ATOM 528 N SER A 36 -6.288 -5.964 -5.306 1.00 0.00 N ATOM 529 CA SER A 36 -5.634 -7.287 -5.072 1.00 0.00 C ATOM 530 C SER A 36 -4.295 -7.099 -4.347 1.00 0.00 C ATOM 531 O SER A 36 -3.311 -7.730 -4.680 1.00 0.00 O ATOM 532 CB SER A 36 -5.391 -7.984 -6.412 1.00 0.00 C ATOM 533 OG SER A 36 -4.420 -7.255 -7.151 1.00 0.00 O ATOM 0 H SER A 36 -6.146 -5.568 -6.235 1.00 0.00 H new ATOM 0 HA SER A 36 -6.291 -7.898 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.048 -9.005 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.322 -8.048 -6.976 1.00 0.00 H new ATOM 0 HG SER A 36 -4.261 -7.700 -8.010 1.00 0.00 H new ATOM 539 N GLN A 37 -4.242 -6.243 -3.363 1.00 0.00 N ATOM 540 CA GLN A 37 -2.958 -6.034 -2.634 1.00 0.00 C ATOM 541 C GLN A 37 -3.246 -5.757 -1.155 1.00 0.00 C ATOM 542 O GLN A 37 -2.668 -4.872 -0.555 1.00 0.00 O ATOM 543 CB GLN A 37 -2.215 -4.842 -3.244 1.00 0.00 C ATOM 544 CG GLN A 37 -2.197 -4.979 -4.768 1.00 0.00 C ATOM 545 CD GLN A 37 -1.318 -6.165 -5.170 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.934 -6.962 -4.337 1.00 0.00 O ATOM 547 NE2 GLN A 37 -0.979 -6.318 -6.422 1.00 0.00 N ATOM 0 H GLN A 37 -5.028 -5.682 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.342 -6.929 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.703 -3.910 -2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.196 -4.800 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.211 -5.123 -5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.817 -4.063 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.300 -5.650 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.393 -7.105 -6.699 1.00 0.00 H new ATOM 556 N ILE A 38 -4.130 -6.513 -0.561 1.00 0.00 N ATOM 557 CA ILE A 38 -4.456 -6.305 0.876 1.00 0.00 C ATOM 558 C ILE A 38 -4.120 -7.578 1.651 1.00 0.00 C ATOM 559 O ILE A 38 -3.013 -7.769 2.114 1.00 0.00 O ATOM 560 CB ILE A 38 -5.950 -5.975 1.020 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.173 -4.493 0.711 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.421 -6.255 2.452 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.950 -4.238 -0.780 1.00 0.00 C ATOM 0 H ILE A 38 -4.642 -7.270 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.873 -5.475 1.275 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.515 -6.597 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.185 -4.201 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.490 -3.882 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.481 -6.017 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.265 -7.308 2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.852 -5.640 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.110 -3.182 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.930 -4.513 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.651 -4.837 -1.361 1.00 0.00 H new ATOM 575 N ALA A 39 -5.073 -8.448 1.791 1.00 0.00 N ATOM 576 CA ALA A 39 -4.830 -9.712 2.531 1.00 0.00 C ATOM 577 C ALA A 39 -5.055 -10.891 1.587 1.00 0.00 C ATOM 578 O ALA A 39 -5.737 -10.771 0.589 1.00 0.00 O ATOM 579 CB ALA A 39 -5.801 -9.803 3.710 1.00 0.00 C ATOM 0 H ALA A 39 -6.018 -8.338 1.422 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.807 -9.733 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.625 -10.730 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.645 -8.955 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.826 -9.789 3.339 1.00 0.00 H new ATOM 585 N ASP A 40 -4.485 -12.025 1.886 1.00 0.00 N ATOM 586 CA ASP A 40 -4.667 -13.204 0.994 1.00 0.00 C ATOM 587 C ASP A 40 -6.131 -13.297 0.560 1.00 0.00 C ATOM 588 O ASP A 40 -6.434 -13.423 -0.610 1.00 0.00 O ATOM 589 CB ASP A 40 -4.272 -14.477 1.741 1.00 0.00 C ATOM 590 CG ASP A 40 -3.199 -15.219 0.943 1.00 0.00 C ATOM 591 OD1 ASP A 40 -2.255 -14.575 0.517 1.00 0.00 O ATOM 592 OD2 ASP A 40 -3.342 -16.417 0.769 1.00 0.00 O ATOM 0 H ASP A 40 -3.902 -12.186 2.707 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.035 -13.092 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.896 -14.228 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.144 -15.116 1.881 1.00 0.00 H new ATOM 597 N LYS A 41 -7.044 -13.231 1.491 1.00 0.00 N ATOM 598 CA LYS A 41 -8.484 -13.312 1.123 1.00 0.00 C ATOM 599 C LYS A 41 -8.817 -12.181 0.148 1.00 0.00 C ATOM 600 O LYS A 41 -8.656 -11.016 0.455 1.00 0.00 O ATOM 601 CB LYS A 41 -9.349 -13.175 2.378 1.00 0.00 C ATOM 602 CG LYS A 41 -10.215 -14.427 2.538 1.00 0.00 C ATOM 603 CD LYS A 41 -11.688 -14.064 2.342 1.00 0.00 C ATOM 604 CE LYS A 41 -12.521 -14.677 3.471 1.00 0.00 C ATOM 605 NZ LYS A 41 -13.249 -13.596 4.197 1.00 0.00 N ATOM 0 H LYS A 41 -6.854 -13.125 2.488 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.685 -14.275 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.717 -13.042 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.981 -12.290 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.917 -15.182 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.066 -14.860 3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.808 -12.981 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.038 -14.431 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.230 -15.397 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.875 -15.221 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.815 -14.013 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.563 -12.925 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.877 -13.096 3.536 1.00 0.00 H new ATOM 619 N ARG A 42 -9.278 -12.515 -1.024 1.00 0.00 N ATOM 620 CA ARG A 42 -9.619 -11.460 -2.019 1.00 0.00 C ATOM 621 C ARG A 42 -10.391 -10.336 -1.330 1.00 0.00 C ATOM 622 O ARG A 42 -11.421 -10.556 -0.725 1.00 0.00 O ATOM 623 CB ARG A 42 -10.483 -12.063 -3.126 1.00 0.00 C ATOM 624 CG ARG A 42 -9.613 -12.374 -4.344 1.00 0.00 C ATOM 625 CD ARG A 42 -9.664 -13.874 -4.637 1.00 0.00 C ATOM 626 NE ARG A 42 -8.391 -14.298 -5.284 1.00 0.00 N ATOM 627 CZ ARG A 42 -8.082 -13.853 -6.470 1.00 0.00 C ATOM 628 NH1 ARG A 42 -8.962 -13.892 -7.433 1.00 0.00 N ATOM 629 NH2 ARG A 42 -6.893 -13.365 -6.693 1.00 0.00 N ATOM 0 H ARG A 42 -9.434 -13.473 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.701 -11.060 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.966 -12.973 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.276 -11.368 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.965 -11.811 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.585 -12.064 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.817 -14.431 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.508 -14.099 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.761 -14.937 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.893 -14.271 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.719 -13.544 -8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.206 -13.332 -5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.650 -13.017 -7.620 1.00 0.00 H new ATOM 643 N VAL A 43 -9.910 -9.128 -1.428 1.00 0.00 N ATOM 644 CA VAL A 43 -10.620 -7.992 -0.795 1.00 0.00 C ATOM 645 C VAL A 43 -11.534 -7.352 -1.840 1.00 0.00 C ATOM 646 O VAL A 43 -11.291 -6.259 -2.310 1.00 0.00 O ATOM 647 CB VAL A 43 -9.603 -6.963 -0.291 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.314 -5.653 0.048 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.908 -7.497 0.964 1.00 0.00 C ATOM 0 H VAL A 43 -9.052 -8.882 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.210 -8.342 0.052 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.864 -6.784 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.585 -4.926 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.806 -5.265 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.058 -5.833 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.185 -6.763 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.650 -7.681 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.393 -8.428 0.726 1.00 0.00 H new ATOM 659 N GLU A 44 -12.587 -8.029 -2.213 1.00 0.00 N ATOM 660 CA GLU A 44 -13.516 -7.460 -3.227 1.00 0.00 C ATOM 661 C GLU A 44 -13.822 -6.006 -2.870 1.00 0.00 C ATOM 662 O GLU A 44 -14.203 -5.216 -3.710 1.00 0.00 O ATOM 663 CB GLU A 44 -14.816 -8.265 -3.237 1.00 0.00 C ATOM 664 CG GLU A 44 -15.543 -8.045 -4.565 1.00 0.00 C ATOM 665 CD GLU A 44 -14.773 -8.743 -5.688 1.00 0.00 C ATOM 666 OE1 GLU A 44 -14.086 -9.709 -5.398 1.00 0.00 O ATOM 667 OE2 GLU A 44 -14.884 -8.301 -6.819 1.00 0.00 O ATOM 0 H GLU A 44 -12.842 -8.951 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.053 -7.506 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.601 -9.325 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.452 -7.958 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.558 -8.438 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.626 -6.979 -4.774 1.00 0.00 H new ATOM 674 N LYS A 45 -13.655 -5.648 -1.627 1.00 0.00 N ATOM 675 CA LYS A 45 -13.932 -4.247 -1.213 1.00 0.00 C ATOM 676 C LYS A 45 -12.654 -3.626 -0.650 1.00 0.00 C ATOM 677 O LYS A 45 -12.205 -3.970 0.425 1.00 0.00 O ATOM 678 CB LYS A 45 -15.023 -4.241 -0.140 1.00 0.00 C ATOM 679 CG LYS A 45 -16.203 -5.096 -0.608 1.00 0.00 C ATOM 680 CD LYS A 45 -17.472 -4.667 0.130 1.00 0.00 C ATOM 681 CE LYS A 45 -18.526 -5.772 0.026 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.012 -7.011 0.673 1.00 0.00 N ATOM 0 H LYS A 45 -13.338 -6.267 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.269 -3.669 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.628 -4.630 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.353 -3.220 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.341 -4.986 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.999 -6.150 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.245 -4.465 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.858 -3.741 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.450 -5.454 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.762 -5.966 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.810 -7.565 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.493 -7.578 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.374 -6.756 1.454 1.00 0.00 H new ATOM 696 N VAL A 46 -12.066 -2.708 -1.366 1.00 0.00 N ATOM 697 CA VAL A 46 -10.814 -2.065 -0.860 1.00 0.00 C ATOM 698 C VAL A 46 -11.184 -1.041 0.201 1.00 0.00 C ATOM 699 O VAL A 46 -10.388 -0.691 1.045 1.00 0.00 O ATOM 700 CB VAL A 46 -10.036 -1.366 -1.984 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.648 -2.005 -2.095 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.766 -1.500 -3.323 1.00 0.00 C ATOM 0 H VAL A 46 -12.393 -2.375 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.175 -2.844 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.950 -0.306 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.085 -1.517 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.117 -1.888 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.753 -3.066 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.193 -0.996 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.872 -2.555 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.753 -1.044 -3.246 1.00 0.00 H new ATOM 712 N THR A 47 -12.392 -0.565 0.170 1.00 0.00 N ATOM 713 CA THR A 47 -12.824 0.429 1.191 1.00 0.00 C ATOM 714 C THR A 47 -13.110 -0.296 2.512 1.00 0.00 C ATOM 715 O THR A 47 -13.520 0.306 3.485 1.00 0.00 O ATOM 716 CB THR A 47 -14.092 1.139 0.714 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.028 0.175 0.250 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.740 2.101 -0.421 1.00 0.00 C ATOM 0 H THR A 47 -13.102 -0.819 -0.517 1.00 0.00 H new ATOM 0 HA THR A 47 -12.034 1.165 1.339 1.00 0.00 H new ATOM 0 HB THR A 47 -14.530 1.699 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.841 0.629 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.643 2.608 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.023 2.840 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.303 1.543 -1.249 1.00 0.00 H new ATOM 726 N ASP A 48 -12.893 -1.588 2.557 1.00 0.00 N ATOM 727 CA ASP A 48 -13.149 -2.347 3.815 1.00 0.00 C ATOM 728 C ASP A 48 -11.820 -2.607 4.527 1.00 0.00 C ATOM 729 O ASP A 48 -11.745 -2.626 5.739 1.00 0.00 O ATOM 730 CB ASP A 48 -13.813 -3.687 3.485 1.00 0.00 C ATOM 731 CG ASP A 48 -15.328 -3.499 3.411 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.964 -3.556 4.452 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.829 -3.302 2.317 1.00 0.00 O ATOM 0 H ASP A 48 -12.550 -2.147 1.776 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.808 -1.765 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.436 -4.068 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.564 -4.426 4.247 1.00 0.00 H new ATOM 738 N TYR A 49 -10.770 -2.799 3.778 1.00 0.00 N ATOM 739 CA TYR A 49 -9.443 -3.048 4.403 1.00 0.00 C ATOM 740 C TYR A 49 -8.690 -1.723 4.501 1.00 0.00 C ATOM 741 O TYR A 49 -7.893 -1.504 5.392 1.00 0.00 O ATOM 742 CB TYR A 49 -8.640 -4.010 3.537 1.00 0.00 C ATOM 743 CG TYR A 49 -9.343 -5.341 3.470 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.598 -5.440 2.858 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.737 -6.481 4.011 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.247 -6.675 2.786 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.386 -7.718 3.940 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.643 -7.816 3.328 1.00 0.00 C ATOM 749 OH TYR A 49 -11.284 -9.036 3.258 1.00 0.00 O ATOM 0 H TYR A 49 -10.775 -2.794 2.758 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.581 -3.480 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.522 -3.599 2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.639 -4.137 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.065 -4.560 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.769 -6.405 4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.215 -6.750 2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.918 -8.598 4.357 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.727 -9.723 3.680 1.00 0.00 H new ATOM 759 N LEU A 50 -8.943 -0.841 3.576 1.00 0.00 N ATOM 760 CA LEU A 50 -8.256 0.479 3.580 1.00 0.00 C ATOM 761 C LEU A 50 -9.233 1.556 4.042 1.00 0.00 C ATOM 762 O LEU A 50 -10.399 1.546 3.699 1.00 0.00 O ATOM 763 CB LEU A 50 -7.773 0.802 2.156 1.00 0.00 C ATOM 764 CG LEU A 50 -6.240 0.681 2.035 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.598 2.043 2.294 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.688 -0.335 3.042 1.00 0.00 C ATOM 0 H LEU A 50 -9.603 -0.980 2.810 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.403 0.448 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.249 0.124 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.081 1.812 1.887 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.002 0.339 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.515 1.957 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.964 2.763 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.857 2.382 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.605 -0.401 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.934 -0.015 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.132 -1.313 2.853 1.00 0.00 H new ATOM 778 N GLN A 51 -8.763 2.484 4.823 1.00 0.00 N ATOM 779 CA GLN A 51 -9.655 3.570 5.318 1.00 0.00 C ATOM 780 C GLN A 51 -8.839 4.849 5.503 1.00 0.00 C ATOM 781 O GLN A 51 -7.848 4.865 6.201 1.00 0.00 O ATOM 782 CB GLN A 51 -10.271 3.156 6.657 1.00 0.00 C ATOM 783 CG GLN A 51 -11.656 3.791 6.805 1.00 0.00 C ATOM 784 CD GLN A 51 -11.660 4.733 8.011 1.00 0.00 C ATOM 785 OE1 GLN A 51 -10.778 4.676 8.844 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.624 5.603 8.141 1.00 0.00 N ATOM 0 H GLN A 51 -7.796 2.539 5.142 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.451 3.747 4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.350 2.070 6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.626 3.470 7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.914 4.341 5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.411 3.016 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.365 5.651 7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.636 6.235 8.942 1.00 0.00 H new ATOM 795 N MET A 52 -9.245 5.920 4.878 1.00 0.00 N ATOM 796 CA MET A 52 -8.489 7.196 5.014 1.00 0.00 C ATOM 797 C MET A 52 -8.212 7.483 6.491 1.00 0.00 C ATOM 798 O MET A 52 -9.111 7.753 7.262 1.00 0.00 O ATOM 799 CB MET A 52 -9.310 8.341 4.417 1.00 0.00 C ATOM 800 CG MET A 52 -9.260 8.260 2.890 1.00 0.00 C ATOM 801 SD MET A 52 -10.706 9.092 2.193 1.00 0.00 S ATOM 802 CE MET A 52 -10.170 10.788 2.525 1.00 0.00 C ATOM 0 H MET A 52 -10.069 5.966 4.278 1.00 0.00 H new ATOM 0 HA MET A 52 -7.541 7.109 4.483 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.342 8.281 4.762 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.916 9.300 4.754 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.346 8.726 2.520 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.238 7.218 2.571 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.875 11.487 2.076 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.132 10.953 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.180 10.947 2.098 1.00 0.00 H new ATOM 812 N GLY A 53 -6.970 7.433 6.888 1.00 0.00 N ATOM 813 CA GLY A 53 -6.629 7.709 8.313 1.00 0.00 C ATOM 814 C GLY A 53 -6.104 6.437 8.987 1.00 0.00 C ATOM 815 O GLY A 53 -5.121 6.465 9.699 1.00 0.00 O ATOM 0 H GLY A 53 -6.176 7.213 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.877 8.496 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.510 8.072 8.842 1.00 0.00 H new ATOM 819 N GLN A 54 -6.751 5.324 8.773 1.00 0.00 N ATOM 820 CA GLN A 54 -6.284 4.059 9.411 1.00 0.00 C ATOM 821 C GLN A 54 -4.831 3.791 9.015 1.00 0.00 C ATOM 822 O GLN A 54 -4.545 3.348 7.920 1.00 0.00 O ATOM 823 CB GLN A 54 -7.162 2.894 8.947 1.00 0.00 C ATOM 824 CG GLN A 54 -8.397 2.794 9.846 1.00 0.00 C ATOM 825 CD GLN A 54 -7.959 2.595 11.299 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.447 3.260 12.190 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.052 1.698 11.577 1.00 0.00 N ATOM 0 H GLN A 54 -7.580 5.235 8.186 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.353 4.156 10.494 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.465 3.044 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.597 1.963 8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.998 3.699 9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.025 1.962 9.528 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.642 1.139 10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.754 1.556 12.542 1.00 0.00 H new ATOM 836 N GLU A 55 -3.908 4.052 9.901 1.00 0.00 N ATOM 837 CA GLU A 55 -2.475 3.809 9.576 1.00 0.00 C ATOM 838 C GLU A 55 -2.253 2.309 9.381 1.00 0.00 C ATOM 839 O GLU A 55 -2.755 1.496 10.130 1.00 0.00 O ATOM 840 CB GLU A 55 -1.597 4.308 10.724 1.00 0.00 C ATOM 841 CG GLU A 55 -0.840 5.560 10.277 1.00 0.00 C ATOM 842 CD GLU A 55 0.425 5.725 11.122 1.00 0.00 C ATOM 843 OE1 GLU A 55 1.415 5.087 10.802 1.00 0.00 O ATOM 844 OE2 GLU A 55 0.382 6.486 12.074 1.00 0.00 O ATOM 0 H GLU A 55 -4.085 4.423 10.835 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.212 4.343 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.212 4.533 11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.893 3.531 11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.577 5.481 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.476 6.439 10.382 1.00 0.00 H new ATOM 851 N VAL A 56 -1.506 1.935 8.380 1.00 0.00 N ATOM 852 CA VAL A 56 -1.262 0.486 8.142 1.00 0.00 C ATOM 853 C VAL A 56 0.224 0.251 7.838 1.00 0.00 C ATOM 854 O VAL A 56 0.804 0.943 7.021 1.00 0.00 O ATOM 855 CB VAL A 56 -2.101 0.023 6.950 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.581 0.038 7.331 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.869 0.970 5.771 1.00 0.00 C ATOM 0 H VAL A 56 -1.056 2.568 7.719 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.540 -0.078 9.032 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.810 -0.989 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.179 -0.292 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.747 -0.633 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.875 1.050 7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.465 0.643 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.163 1.981 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.813 0.961 5.500 1.00 0.00 H new ATOM 867 N PRO A 57 0.797 -0.725 8.499 1.00 0.00 N ATOM 868 CA PRO A 57 2.211 -1.082 8.311 1.00 0.00 C ATOM 869 C PRO A 57 2.376 -1.935 7.050 1.00 0.00 C ATOM 870 O PRO A 57 1.544 -2.769 6.737 1.00 0.00 O ATOM 871 CB PRO A 57 2.548 -1.895 9.563 1.00 0.00 C ATOM 872 CG PRO A 57 1.204 -2.440 10.104 1.00 0.00 C ATOM 873 CD PRO A 57 0.094 -1.557 9.498 1.00 0.00 C ATOM 0 HA PRO A 57 2.860 -0.216 8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.230 -2.711 9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.043 -1.273 10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.067 -3.484 9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.180 -2.400 11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.687 -2.161 9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.387 -0.943 10.260 1.00 0.00 H new ATOM 881 N VAL A 58 3.440 -1.739 6.327 1.00 0.00 N ATOM 882 CA VAL A 58 3.654 -2.546 5.095 1.00 0.00 C ATOM 883 C VAL A 58 5.139 -2.893 4.971 1.00 0.00 C ATOM 884 O VAL A 58 5.930 -2.618 5.853 1.00 0.00 O ATOM 885 CB VAL A 58 3.183 -1.757 3.863 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.041 -0.819 4.258 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.339 -0.933 3.288 1.00 0.00 C ATOM 0 H VAL A 58 4.170 -1.057 6.534 1.00 0.00 H new ATOM 0 HA VAL A 58 3.075 -3.468 5.156 1.00 0.00 H new ATOM 0 HB VAL A 58 2.836 -2.461 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.709 -0.261 3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.210 -1.404 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.389 -0.123 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.992 -0.379 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.698 -0.234 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.150 -1.599 2.995 1.00 0.00 H new ATOM 897 N LYS A 59 5.523 -3.492 3.881 1.00 0.00 N ATOM 898 CA LYS A 59 6.951 -3.857 3.712 1.00 0.00 C ATOM 899 C LYS A 59 7.381 -3.652 2.260 1.00 0.00 C ATOM 900 O LYS A 59 6.970 -4.371 1.373 1.00 0.00 O ATOM 901 CB LYS A 59 7.133 -5.324 4.090 1.00 0.00 C ATOM 902 CG LYS A 59 6.583 -5.555 5.499 1.00 0.00 C ATOM 903 CD LYS A 59 6.793 -7.016 5.899 1.00 0.00 C ATOM 904 CE LYS A 59 5.488 -7.792 5.712 1.00 0.00 C ATOM 905 NZ LYS A 59 4.884 -8.080 7.043 1.00 0.00 N ATOM 0 H LYS A 59 4.912 -3.743 3.104 1.00 0.00 H new ATOM 0 HA LYS A 59 7.563 -3.223 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.614 -5.963 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.188 -5.593 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.085 -4.897 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.522 -5.308 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.582 -7.460 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.118 -7.076 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.793 -7.214 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.680 -8.723 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.997 -8.608 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.546 -8.648 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.687 -7.186 7.536 1.00 0.00 H new ATOM 919 N VAL A 60 8.225 -2.685 2.017 1.00 0.00 N ATOM 920 CA VAL A 60 8.708 -2.443 0.628 1.00 0.00 C ATOM 921 C VAL A 60 9.085 -3.785 0.014 1.00 0.00 C ATOM 922 O VAL A 60 10.174 -4.284 0.209 1.00 0.00 O ATOM 923 CB VAL A 60 9.936 -1.528 0.676 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.425 -1.241 -0.743 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.566 -0.206 1.354 1.00 0.00 C ATOM 0 H VAL A 60 8.601 -2.051 2.722 1.00 0.00 H new ATOM 0 HA VAL A 60 7.933 -1.966 0.029 1.00 0.00 H new ATOM 0 HB VAL A 60 10.726 -2.024 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.298 -0.590 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.693 -2.178 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.633 -0.750 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.441 0.443 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.772 0.283 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.221 -0.402 2.369 1.00 0.00 H new ATOM 935 N LEU A 61 8.184 -4.387 -0.707 1.00 0.00 N ATOM 936 CA LEU A 61 8.485 -5.703 -1.310 1.00 0.00 C ATOM 937 C LEU A 61 9.397 -5.523 -2.517 1.00 0.00 C ATOM 938 O LEU A 61 10.147 -6.410 -2.868 1.00 0.00 O ATOM 939 CB LEU A 61 7.187 -6.384 -1.747 1.00 0.00 C ATOM 940 CG LEU A 61 7.288 -7.887 -1.476 1.00 0.00 C ATOM 941 CD1 LEU A 61 7.271 -8.138 0.032 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.101 -8.604 -2.123 1.00 0.00 C ATOM 0 H LEU A 61 7.252 -4.021 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 61 8.987 -6.326 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.341 -5.961 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.008 -6.205 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 61 8.218 -8.268 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.343 -9.209 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.116 -7.629 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.342 -7.756 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.173 -9.674 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.171 -8.221 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.112 -8.428 -3.199 1.00 0.00 H new ATOM 954 N GLU A 62 9.343 -4.382 -3.158 1.00 0.00 N ATOM 955 CA GLU A 62 10.217 -4.160 -4.352 1.00 0.00 C ATOM 956 C GLU A 62 9.702 -2.979 -5.179 1.00 0.00 C ATOM 957 O GLU A 62 8.800 -2.267 -4.782 1.00 0.00 O ATOM 958 CB GLU A 62 10.220 -5.413 -5.241 1.00 0.00 C ATOM 959 CG GLU A 62 8.787 -5.923 -5.430 1.00 0.00 C ATOM 960 CD GLU A 62 8.816 -7.289 -6.119 1.00 0.00 C ATOM 961 OE1 GLU A 62 9.528 -7.420 -7.100 1.00 0.00 O ATOM 962 OE2 GLU A 62 8.124 -8.180 -5.653 1.00 0.00 O ATOM 0 H GLU A 62 8.737 -3.600 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 62 11.226 -3.948 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.663 -5.181 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.835 -6.190 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.288 -6.002 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.214 -5.215 -6.028 1.00 0.00 H new ATOM 969 N VAL A 63 10.276 -2.779 -6.335 1.00 0.00 N ATOM 970 CA VAL A 63 9.844 -1.662 -7.220 1.00 0.00 C ATOM 971 C VAL A 63 9.922 -2.122 -8.678 1.00 0.00 C ATOM 972 O VAL A 63 9.047 -1.855 -9.474 1.00 0.00 O ATOM 973 CB VAL A 63 10.772 -0.467 -7.021 1.00 0.00 C ATOM 974 CG1 VAL A 63 10.516 0.565 -8.119 1.00 0.00 C ATOM 975 CG2 VAL A 63 10.501 0.160 -5.657 1.00 0.00 C ATOM 0 H VAL A 63 11.035 -3.350 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 63 8.822 -1.374 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 63 11.810 -0.797 -7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.179 1.419 -7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.707 0.115 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.479 0.898 -8.071 1.00 0.00 H new ATOM 0 HG21 VAL A 63 11.162 1.014 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.464 0.492 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.683 -0.577 -4.875 1.00 0.00 H new ATOM 985 N ASP A 64 10.974 -2.812 -9.029 1.00 0.00 N ATOM 986 CA ASP A 64 11.124 -3.295 -10.431 1.00 0.00 C ATOM 987 C ASP A 64 9.807 -3.906 -10.916 1.00 0.00 C ATOM 988 O ASP A 64 9.355 -3.634 -12.011 1.00 0.00 O ATOM 989 CB ASP A 64 12.224 -4.358 -10.486 1.00 0.00 C ATOM 990 CG ASP A 64 12.189 -5.193 -9.205 1.00 0.00 C ATOM 991 OD1 ASP A 64 11.444 -6.158 -9.171 1.00 0.00 O ATOM 992 OD2 ASP A 64 12.907 -4.852 -8.278 1.00 0.00 O ATOM 0 H ASP A 64 11.739 -3.063 -8.402 1.00 0.00 H new ATOM 0 HA ASP A 64 11.389 -2.455 -11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.081 -5.000 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.199 -3.883 -10.597 1.00 0.00 H new ATOM 997 N ARG A 65 9.189 -4.732 -10.112 1.00 0.00 N ATOM 998 CA ARG A 65 7.902 -5.364 -10.532 1.00 0.00 C ATOM 999 C ARG A 65 7.025 -4.328 -11.234 1.00 0.00 C ATOM 1000 O ARG A 65 6.824 -4.379 -12.431 1.00 0.00 O ATOM 1001 CB ARG A 65 7.169 -5.901 -9.299 1.00 0.00 C ATOM 1002 CG ARG A 65 5.989 -6.767 -9.747 1.00 0.00 C ATOM 1003 CD ARG A 65 5.689 -7.819 -8.677 1.00 0.00 C ATOM 1004 NE ARG A 65 6.389 -9.092 -9.018 1.00 0.00 N ATOM 1005 CZ ARG A 65 6.703 -9.936 -8.072 1.00 0.00 C ATOM 1006 NH1 ARG A 65 5.869 -10.157 -7.093 1.00 0.00 N ATOM 1007 NH2 ARG A 65 7.850 -10.558 -8.108 1.00 0.00 N ATOM 0 H ARG A 65 9.519 -4.996 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 65 8.111 -6.185 -11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.851 -6.487 -8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.815 -5.074 -8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.111 -6.144 -9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.221 -7.253 -10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.016 -7.463 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.614 -7.989 -8.611 1.00 0.00 H new ATOM 0 HE ARG A 65 6.622 -9.303 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.973 -9.671 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.113 -10.816 -6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.500 -10.385 -8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.096 -11.217 -7.370 1.00 0.00 H new ATOM 1021 N GLN A 66 6.502 -3.385 -10.500 1.00 0.00 N ATOM 1022 CA GLN A 66 5.641 -2.345 -11.127 1.00 0.00 C ATOM 1023 C GLN A 66 6.480 -1.096 -11.405 1.00 0.00 C ATOM 1024 O GLN A 66 6.501 -0.582 -12.507 1.00 0.00 O ATOM 1025 CB GLN A 66 4.500 -1.987 -10.174 1.00 0.00 C ATOM 1026 CG GLN A 66 3.271 -2.835 -10.507 1.00 0.00 C ATOM 1027 CD GLN A 66 2.736 -3.483 -9.229 1.00 0.00 C ATOM 1028 OE1 GLN A 66 3.038 -4.623 -8.939 1.00 0.00 O ATOM 1029 NE2 GLN A 66 1.948 -2.799 -8.446 1.00 0.00 N ATOM 0 H GLN A 66 6.634 -3.290 -9.493 1.00 0.00 H new ATOM 0 HA GLN A 66 5.229 -2.726 -12.061 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.806 -2.161 -9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.258 -0.928 -10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.500 -2.214 -10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.532 -3.603 -11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.694 -1.841 -8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.586 -3.222 -7.591 1.00 0.00 H new ATOM 1038 N GLY A 67 7.168 -0.605 -10.412 1.00 0.00 N ATOM 1039 CA GLY A 67 8.004 0.612 -10.609 1.00 0.00 C ATOM 1040 C GLY A 67 7.383 1.776 -9.840 1.00 0.00 C ATOM 1041 O GLY A 67 8.027 2.769 -9.566 1.00 0.00 O ATOM 0 H GLY A 67 7.187 -0.995 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.020 0.430 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.070 0.855 -11.670 1.00 0.00 H new ATOM 1045 N ARG A 68 6.136 1.655 -9.481 1.00 0.00 N ATOM 1046 CA ARG A 68 5.473 2.749 -8.719 1.00 0.00 C ATOM 1047 C ARG A 68 5.488 2.396 -7.232 1.00 0.00 C ATOM 1048 O ARG A 68 4.473 2.419 -6.564 1.00 0.00 O ATOM 1049 CB ARG A 68 4.027 2.924 -9.198 1.00 0.00 C ATOM 1050 CG ARG A 68 3.363 1.556 -9.382 1.00 0.00 C ATOM 1051 CD ARG A 68 1.898 1.755 -9.779 1.00 0.00 C ATOM 1052 NE ARG A 68 1.788 1.871 -11.264 1.00 0.00 N ATOM 1053 CZ ARG A 68 2.756 2.416 -11.954 1.00 0.00 C ATOM 1054 NH1 ARG A 68 3.783 1.698 -12.319 1.00 0.00 N ATOM 1055 NH2 ARG A 68 2.695 3.679 -12.279 1.00 0.00 N ATOM 0 H ARG A 68 5.548 0.847 -9.682 1.00 0.00 H new ATOM 0 HA ARG A 68 6.009 3.684 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.465 3.515 -8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.012 3.474 -10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.886 0.985 -10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.427 0.981 -8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.299 0.916 -9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.502 2.653 -9.304 1.00 0.00 H new ATOM 0 HE ARG A 68 0.956 1.524 -11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.831 0.711 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.538 2.124 -12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.892 4.241 -11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.450 4.104 -12.817 1.00 0.00 H new ATOM 1069 N ILE A 69 6.641 2.068 -6.711 1.00 0.00 N ATOM 1070 CA ILE A 69 6.740 1.713 -5.270 1.00 0.00 C ATOM 1071 C ILE A 69 5.890 0.467 -4.993 1.00 0.00 C ATOM 1072 O ILE A 69 4.676 0.513 -5.015 1.00 0.00 O ATOM 1073 CB ILE A 69 6.246 2.899 -4.435 1.00 0.00 C ATOM 1074 CG1 ILE A 69 7.369 3.934 -4.329 1.00 0.00 C ATOM 1075 CG2 ILE A 69 5.853 2.428 -3.032 1.00 0.00 C ATOM 1076 CD1 ILE A 69 7.031 4.958 -3.242 1.00 0.00 C ATOM 0 H ILE A 69 7.521 2.031 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 69 7.774 1.494 -5.003 1.00 0.00 H new ATOM 0 HB ILE A 69 5.374 3.342 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.311 3.439 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.503 4.437 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.503 3.279 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.057 1.687 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.719 1.982 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.834 5.692 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.099 5.463 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.919 4.449 -2.285 1.00 0.00 H new ATOM 1088 N ARG A 70 6.526 -0.645 -4.732 1.00 0.00 N ATOM 1089 CA ARG A 70 5.764 -1.895 -4.452 1.00 0.00 C ATOM 1090 C ARG A 70 5.836 -2.209 -2.957 1.00 0.00 C ATOM 1091 O ARG A 70 6.751 -2.859 -2.490 1.00 0.00 O ATOM 1092 CB ARG A 70 6.374 -3.053 -5.244 1.00 0.00 C ATOM 1093 CG ARG A 70 5.284 -4.075 -5.573 1.00 0.00 C ATOM 1094 CD ARG A 70 4.706 -4.635 -4.273 1.00 0.00 C ATOM 1095 NE ARG A 70 3.407 -3.969 -3.979 1.00 0.00 N ATOM 1096 CZ ARG A 70 2.292 -4.490 -4.413 1.00 0.00 C ATOM 1097 NH1 ARG A 70 1.851 -5.605 -3.899 1.00 0.00 N ATOM 1098 NH2 ARG A 70 1.620 -3.895 -5.360 1.00 0.00 N ATOM 0 H ARG A 70 7.541 -0.740 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 70 4.724 -1.761 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.828 -2.681 -6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.168 -3.525 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.496 -3.606 -6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.697 -4.882 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.563 -5.712 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.404 -4.472 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 70 3.389 -3.105 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.378 -6.069 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.980 -6.013 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.966 -3.023 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.748 -4.302 -5.700 1.00 0.00 H new ATOM 1112 N LEU A 71 4.876 -1.751 -2.203 1.00 0.00 N ATOM 1113 CA LEU A 71 4.885 -2.019 -0.738 1.00 0.00 C ATOM 1114 C LEU A 71 4.039 -3.259 -0.444 1.00 0.00 C ATOM 1115 O LEU A 71 3.149 -3.606 -1.194 1.00 0.00 O ATOM 1116 CB LEU A 71 4.311 -0.801 -0.004 1.00 0.00 C ATOM 1117 CG LEU A 71 5.358 0.328 0.078 1.00 0.00 C ATOM 1118 CD1 LEU A 71 6.125 0.228 1.397 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.356 0.231 -1.086 1.00 0.00 C ATOM 0 H LEU A 71 4.085 -1.202 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 71 5.905 -2.198 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.422 -0.443 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.999 -1.089 1.000 1.00 0.00 H new ATOM 0 HG LEU A 71 4.834 1.282 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.864 1.028 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.429 0.321 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.630 -0.736 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.085 1.037 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.871 -0.729 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.821 0.316 -2.032 1.00 0.00 H new ATOM 1131 N SER A 72 4.317 -3.939 0.637 1.00 0.00 N ATOM 1132 CA SER A 72 3.536 -5.165 0.963 1.00 0.00 C ATOM 1133 C SER A 72 2.643 -4.915 2.179 1.00 0.00 C ATOM 1134 O SER A 72 3.112 -4.762 3.289 1.00 0.00 O ATOM 1135 CB SER A 72 4.493 -6.311 1.267 1.00 0.00 C ATOM 1136 OG SER A 72 4.444 -7.255 0.206 1.00 0.00 O ATOM 0 H SER A 72 5.049 -3.698 1.305 1.00 0.00 H new ATOM 0 HA SER A 72 2.910 -5.423 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.508 -5.931 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.220 -6.789 2.208 1.00 0.00 H new ATOM 0 HG SER A 72 4.429 -8.162 0.576 1.00 0.00 H new ATOM 1142 N ILE A 73 1.356 -4.888 1.976 1.00 0.00 N ATOM 1143 CA ILE A 73 0.422 -4.668 3.114 1.00 0.00 C ATOM 1144 C ILE A 73 0.675 -5.747 4.171 1.00 0.00 C ATOM 1145 O ILE A 73 0.705 -6.924 3.871 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.018 -4.740 2.580 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.417 -3.364 2.043 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.997 -5.149 3.686 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -0.966 -3.233 0.587 1.00 0.00 C ATOM 0 H ILE A 73 0.909 -5.009 1.067 1.00 0.00 H new ATOM 0 HA ILE A 73 0.578 -3.691 3.572 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.059 -5.489 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.497 -3.234 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.961 -2.580 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.008 -5.192 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.720 -6.129 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.961 -4.417 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.250 -2.253 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.117 -3.345 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.443 -4.008 -0.013 1.00 0.00 H new ATOM 1161 N LYS A 74 0.876 -5.353 5.402 1.00 0.00 N ATOM 1162 CA LYS A 74 1.148 -6.351 6.480 1.00 0.00 C ATOM 1163 C LYS A 74 0.275 -7.587 6.291 1.00 0.00 C ATOM 1164 O LYS A 74 0.762 -8.691 6.140 1.00 0.00 O ATOM 1165 CB LYS A 74 0.855 -5.721 7.843 1.00 0.00 C ATOM 1166 CG LYS A 74 2.171 -5.489 8.587 1.00 0.00 C ATOM 1167 CD LYS A 74 2.138 -6.224 9.928 1.00 0.00 C ATOM 1168 CE LYS A 74 3.451 -5.983 10.674 1.00 0.00 C ATOM 1169 NZ LYS A 74 3.322 -4.765 11.522 1.00 0.00 N ATOM 0 H LYS A 74 0.863 -4.380 5.708 1.00 0.00 H new ATOM 0 HA LYS A 74 2.195 -6.649 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.326 -4.777 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.205 -6.374 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.008 -5.845 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.326 -4.422 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.298 -5.873 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.990 -7.292 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.694 -6.847 11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.268 -5.860 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.702 -4.960 12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.855 -3.983 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.319 -4.500 11.598 1.00 0.00 H new ATOM 1183 N GLU A 75 -1.005 -7.409 6.299 1.00 0.00 N ATOM 1184 CA GLU A 75 -1.926 -8.568 6.124 1.00 0.00 C ATOM 1185 C GLU A 75 -1.471 -9.404 4.924 1.00 0.00 C ATOM 1186 O GLU A 75 -1.405 -10.615 4.989 1.00 0.00 O ATOM 1187 CB GLU A 75 -3.348 -8.059 5.880 1.00 0.00 C ATOM 1188 CG GLU A 75 -4.280 -8.609 6.962 1.00 0.00 C ATOM 1189 CD GLU A 75 -5.173 -7.484 7.486 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -5.980 -6.988 6.716 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -5.035 -7.136 8.647 1.00 0.00 O ATOM 0 H GLU A 75 -1.464 -6.506 6.420 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.910 -9.183 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.363 -6.969 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.693 -8.371 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.892 -9.414 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.696 -9.034 7.778 1.00 0.00 H new ATOM 1198 N ALA A 76 -1.156 -8.765 3.830 1.00 0.00 N ATOM 1199 CA ALA A 76 -0.706 -9.520 2.627 1.00 0.00 C ATOM 1200 C ALA A 76 0.345 -10.557 3.034 1.00 0.00 C ATOM 1201 O ALA A 76 0.386 -11.607 2.413 1.00 0.00 O ATOM 1202 CB ALA A 76 -0.095 -8.544 1.618 1.00 0.00 C ATOM 1203 OXT ALA A 76 1.091 -10.282 3.959 1.00 0.00 O ATOM 0 H ALA A 76 -1.191 -7.752 3.718 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.558 -10.028 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.236 -9.092 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.842 -7.806 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.757 -8.038 2.071 1.00 0.00 H new TER 1209 ALA A 76