USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 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 8 SER OG : rot 180:sc= -0.325! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -120:sc= -1.47 (180deg=-4.45!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 28 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.37) USER MOD Single : A 30 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.13) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00901 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0233 (180deg=-0.194) USER MOD Single : A 41 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -2.65 X(o=-2.6,f=-2.8!) USER MOD Single : A 73 GLN : amide:sc= -0.865 K(o=-0.87,f=-5.1!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 84:sc= 0.0863 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.669 16.083 -0.950 1.00 0.00 N ATOM 67 CA SER A 8 5.877 15.194 -0.108 1.00 0.00 C ATOM 68 C SER A 8 4.809 14.478 -0.928 1.00 0.00 C ATOM 69 O SER A 8 4.841 13.256 -1.076 1.00 0.00 O ATOM 70 CB SER A 8 5.222 15.983 1.027 1.00 0.00 C ATOM 71 OG SER A 8 4.105 16.719 0.558 1.00 0.00 O ATOM 0 HA SER A 8 6.545 14.445 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.906 15.299 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.950 16.663 1.469 1.00 0.00 H new ATOM 0 HG SER A 8 3.703 17.213 1.303 1.00 0.00 H new ATOM 77 N ILE A 9 3.864 15.247 -1.458 1.00 0.00 N ATOM 78 CA ILE A 9 2.786 14.687 -2.264 1.00 0.00 C ATOM 79 C ILE A 9 3.295 13.557 -3.153 1.00 0.00 C ATOM 80 O ILE A 9 2.805 12.429 -3.083 1.00 0.00 O ATOM 81 CB ILE A 9 2.126 15.762 -3.147 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.214 16.656 -2.303 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.341 15.112 -4.277 1.00 0.00 C ATOM 84 CD1 ILE A 9 0.366 17.602 -3.126 1.00 0.00 C ATOM 0 H ILE A 9 3.823 16.260 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 9 2.044 14.294 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 9 2.908 16.382 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.560 16.027 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.826 17.236 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.881 15.885 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.014 14.514 -4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.565 14.471 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.255 18.204 -2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.013 18.256 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.272 17.028 -3.798 1.00 0.00 H new ATOM 96 N LEU A 10 4.280 13.866 -3.987 1.00 0.00 N ATOM 97 CA LEU A 10 4.857 12.877 -4.890 1.00 0.00 C ATOM 98 C LEU A 10 5.340 11.653 -4.118 1.00 0.00 C ATOM 99 O LEU A 10 5.247 10.523 -4.602 1.00 0.00 O ATOM 100 CB LEU A 10 6.020 13.490 -5.674 1.00 0.00 C ATOM 101 CG LEU A 10 5.641 14.269 -6.934 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.706 15.302 -7.263 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.436 13.321 -8.107 1.00 0.00 C ATOM 0 H LEU A 10 4.697 14.794 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 10 4.082 12.562 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.569 14.157 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.703 12.689 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 10 4.703 14.791 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.419 15.847 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.804 16.000 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.659 14.801 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.167 13.893 -8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.358 12.771 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.636 12.619 -7.872 1.00 0.00 H new ATOM 115 N LYS A 11 5.855 11.883 -2.915 1.00 0.00 N ATOM 116 CA LYS A 11 6.349 10.798 -2.074 1.00 0.00 C ATOM 117 C LYS A 11 5.207 9.888 -1.634 1.00 0.00 C ATOM 118 O LYS A 11 5.406 8.695 -1.406 1.00 0.00 O ATOM 119 CB LYS A 11 7.067 11.365 -0.847 1.00 0.00 C ATOM 120 CG LYS A 11 8.176 10.470 -0.324 1.00 0.00 C ATOM 121 CD LYS A 11 8.756 11.001 0.976 1.00 0.00 C ATOM 122 CE LYS A 11 9.707 12.162 0.729 1.00 0.00 C ATOM 123 NZ LYS A 11 11.100 11.696 0.485 1.00 0.00 N ATOM 0 H LYS A 11 5.941 12.811 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 11 7.054 10.208 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.486 12.339 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.338 11.528 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.788 9.464 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.966 10.394 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.947 11.325 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.284 10.200 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.361 12.738 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.694 12.832 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.717 12.517 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.440 11.168 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.118 11.077 -0.351 1.00 0.00 H new ATOM 137 N ILE A 12 4.013 10.458 -1.518 1.00 0.00 N ATOM 138 CA ILE A 12 2.840 9.697 -1.107 1.00 0.00 C ATOM 139 C ILE A 12 2.046 9.214 -2.317 1.00 0.00 C ATOM 140 O ILE A 12 0.987 8.605 -2.174 1.00 0.00 O ATOM 141 CB ILE A 12 1.917 10.531 -0.200 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.667 10.979 1.055 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.678 9.730 0.174 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.985 12.108 1.796 1.00 0.00 C ATOM 0 H ILE A 12 3.832 11.445 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 12 3.203 8.835 -0.547 1.00 0.00 H new ATOM 0 HB ILE A 12 1.601 11.419 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.776 10.128 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.672 11.294 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.035 10.333 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.135 9.457 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.976 8.826 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.573 12.374 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.900 12.975 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.990 11.790 2.107 1.00 0.00 H new ATOM 156 N GLU A 13 2.568 9.491 -3.508 1.00 0.00 N ATOM 157 CA GLU A 13 1.908 9.083 -4.743 1.00 0.00 C ATOM 158 C GLU A 13 2.259 7.642 -5.097 1.00 0.00 C ATOM 159 O GLU A 13 1.388 6.849 -5.460 1.00 0.00 O ATOM 160 CB GLU A 13 2.307 10.013 -5.891 1.00 0.00 C ATOM 161 CG GLU A 13 1.445 11.261 -5.991 1.00 0.00 C ATOM 162 CD GLU A 13 1.469 11.877 -7.376 1.00 0.00 C ATOM 163 OE1 GLU A 13 0.700 11.415 -8.244 1.00 0.00 O ATOM 164 OE2 GLU A 13 2.257 12.822 -7.591 1.00 0.00 O ATOM 0 H GLU A 13 3.444 9.995 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 13 0.831 9.149 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.348 10.310 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.246 9.464 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.418 11.011 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.791 11.996 -5.264 1.00 0.00 H new ATOM 171 N LYS A 14 3.540 7.306 -4.991 1.00 0.00 N ATOM 172 CA LYS A 14 4.008 5.961 -5.299 1.00 0.00 C ATOM 173 C LYS A 14 3.366 4.935 -4.369 1.00 0.00 C ATOM 174 O LYS A 14 2.950 3.862 -4.805 1.00 0.00 O ATOM 175 CB LYS A 14 5.532 5.889 -5.180 1.00 0.00 C ATOM 176 CG LYS A 14 6.259 6.224 -6.471 1.00 0.00 C ATOM 177 CD LYS A 14 6.443 7.725 -6.633 1.00 0.00 C ATOM 178 CE LYS A 14 7.653 8.048 -7.497 1.00 0.00 C ATOM 179 NZ LYS A 14 7.323 8.010 -8.948 1.00 0.00 N ATOM 0 H LYS A 14 4.274 7.949 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 14 3.718 5.728 -6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.860 6.575 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.816 4.886 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.233 5.734 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.697 5.832 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.548 8.156 -7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.561 8.186 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.032 9.036 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.450 7.335 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.173 8.235 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.985 7.060 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.580 8.708 -9.153 1.00 0.00 H new ATOM 193 N VAL A 15 3.288 5.273 -3.087 1.00 0.00 N ATOM 194 CA VAL A 15 2.694 4.383 -2.096 1.00 0.00 C ATOM 195 C VAL A 15 1.330 3.883 -2.555 1.00 0.00 C ATOM 196 O VAL A 15 0.924 2.767 -2.229 1.00 0.00 O ATOM 197 CB VAL A 15 2.540 5.084 -0.733 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.256 4.067 0.361 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.785 5.895 -0.407 1.00 0.00 C ATOM 0 H VAL A 15 3.629 6.157 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 15 3.370 3.535 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 15 1.693 5.768 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.150 4.581 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.333 3.534 0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.080 3.356 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.658 6.383 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.650 5.233 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.939 6.650 -1.178 1.00 0.00 H new ATOM 209 N LEU A 16 0.625 4.715 -3.314 1.00 0.00 N ATOM 210 CA LEU A 16 -0.695 4.357 -3.819 1.00 0.00 C ATOM 211 C LEU A 16 -0.597 3.741 -5.212 1.00 0.00 C ATOM 212 O LEU A 16 -1.181 2.692 -5.481 1.00 0.00 O ATOM 213 CB LEU A 16 -1.600 5.589 -3.857 1.00 0.00 C ATOM 214 CG LEU A 16 -2.028 6.150 -2.501 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.710 7.499 -2.670 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.947 5.172 -1.784 1.00 0.00 C ATOM 0 H LEU A 16 0.946 5.642 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.126 3.618 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.085 6.376 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.497 5.339 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.135 6.292 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.007 7.881 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.019 8.200 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.593 7.384 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.241 5.589 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.836 4.997 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.423 4.229 -1.627 1.00 0.00 H new ATOM 228 N LYS A 17 0.148 4.400 -6.093 1.00 0.00 N ATOM 229 CA LYS A 17 0.326 3.918 -7.456 1.00 0.00 C ATOM 230 C LYS A 17 0.616 2.420 -7.470 1.00 0.00 C ATOM 231 O LYS A 17 -0.195 1.626 -7.945 1.00 0.00 O ATOM 232 CB LYS A 17 1.466 4.675 -8.143 1.00 0.00 C ATOM 233 CG LYS A 17 1.026 5.974 -8.797 1.00 0.00 C ATOM 234 CD LYS A 17 2.066 6.482 -9.781 1.00 0.00 C ATOM 235 CE LYS A 17 1.956 7.985 -9.981 1.00 0.00 C ATOM 236 NZ LYS A 17 2.451 8.404 -11.321 1.00 0.00 N ATOM 0 H LYS A 17 0.638 5.270 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.601 4.096 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.241 4.892 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.915 4.031 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.079 5.820 -9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.851 6.728 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.063 6.234 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.940 5.976 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.916 8.291 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.527 8.497 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.359 9.435 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.450 8.134 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.890 7.935 -12.061 1.00 0.00 H new ATOM 250 N ARG A 18 1.777 2.043 -6.946 1.00 0.00 N ATOM 251 CA ARG A 18 2.174 0.640 -6.898 1.00 0.00 C ATOM 252 C ARG A 18 1.098 -0.206 -6.224 1.00 0.00 C ATOM 253 O ARG A 18 0.681 -1.236 -6.755 1.00 0.00 O ATOM 254 CB ARG A 18 3.499 0.489 -6.149 1.00 0.00 C ATOM 255 CG ARG A 18 4.118 -0.894 -6.280 1.00 0.00 C ATOM 256 CD ARG A 18 4.951 -1.013 -7.547 1.00 0.00 C ATOM 257 NE ARG A 18 6.260 -0.380 -7.403 1.00 0.00 N ATOM 258 CZ ARG A 18 7.223 -0.470 -8.313 1.00 0.00 C ATOM 259 NH1 ARG A 18 7.026 -1.162 -9.427 1.00 0.00 N ATOM 260 NH2 ARG A 18 8.387 0.135 -8.110 1.00 0.00 N ATOM 0 H ARG A 18 2.460 2.689 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 18 2.301 0.288 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.205 1.231 -6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.337 0.707 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.744 -1.098 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.330 -1.647 -6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.083 -2.066 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.415 -0.553 -8.378 1.00 0.00 H new ATOM 0 HE ARG A 18 6.444 0.160 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.133 -1.627 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.768 -1.229 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.542 0.669 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.127 0.066 -8.809 1.00 0.00 H new ATOM 274 N MET A 19 0.653 0.234 -5.052 1.00 0.00 N ATOM 275 CA MET A 19 -0.375 -0.482 -4.306 1.00 0.00 C ATOM 276 C MET A 19 -1.447 -1.027 -5.245 1.00 0.00 C ATOM 277 O MET A 19 -1.863 -2.180 -5.125 1.00 0.00 O ATOM 278 CB MET A 19 -1.015 0.438 -3.264 1.00 0.00 C ATOM 279 CG MET A 19 -2.157 -0.211 -2.500 1.00 0.00 C ATOM 280 SD MET A 19 -3.720 -0.142 -3.395 1.00 0.00 S ATOM 281 CE MET A 19 -4.115 1.599 -3.252 1.00 0.00 C ATOM 0 H MET A 19 0.988 1.084 -4.598 1.00 0.00 H new ATOM 0 HA MET A 19 0.100 -1.321 -3.797 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.251 0.758 -2.556 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.385 1.335 -3.761 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.906 -1.252 -2.295 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.272 0.285 -1.536 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.067 1.715 -2.734 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.331 2.105 -2.688 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.187 2.039 -4.247 1.00 0.00 H new ATOM 291 N ARG A 20 -1.889 -0.192 -6.180 1.00 0.00 N ATOM 292 CA ARG A 20 -2.913 -0.592 -7.138 1.00 0.00 C ATOM 293 C ARG A 20 -2.410 -1.720 -8.033 1.00 0.00 C ATOM 294 O ARG A 20 -2.922 -2.838 -7.985 1.00 0.00 O ATOM 295 CB ARG A 20 -3.334 0.604 -7.994 1.00 0.00 C ATOM 296 CG ARG A 20 -4.091 1.671 -7.221 1.00 0.00 C ATOM 297 CD ARG A 20 -5.502 1.215 -6.880 1.00 0.00 C ATOM 298 NE ARG A 20 -6.443 1.492 -7.962 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.762 1.399 -7.831 1.00 0.00 C ATOM 300 NH1 ARG A 20 -8.292 1.039 -6.670 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.553 1.667 -8.861 1.00 0.00 N ATOM 0 H ARG A 20 -1.554 0.765 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.777 -0.953 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.446 1.052 -8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.958 0.251 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.552 1.909 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.136 2.587 -7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.496 0.146 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.836 1.717 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.067 1.772 -8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.687 0.833 -5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.305 0.968 -6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.149 1.945 -9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.565 1.595 -8.759 1.00 0.00 H new ATOM 315 N GLU A 21 -1.405 -1.417 -8.850 1.00 0.00 N ATOM 316 CA GLU A 21 -0.834 -2.406 -9.756 1.00 0.00 C ATOM 317 C GLU A 21 -0.727 -3.769 -9.078 1.00 0.00 C ATOM 318 O GLU A 21 -1.143 -4.786 -9.634 1.00 0.00 O ATOM 319 CB GLU A 21 0.546 -1.954 -10.236 1.00 0.00 C ATOM 320 CG GLU A 21 0.509 -0.720 -11.121 1.00 0.00 C ATOM 321 CD GLU A 21 1.844 -0.431 -11.778 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.411 -1.355 -12.398 1.00 0.00 O ATOM 323 OE2 GLU A 21 2.323 0.717 -11.673 1.00 0.00 O ATOM 0 H GLU A 21 -0.971 -0.496 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.498 -2.498 -10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.174 -1.750 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.016 -2.770 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.249 -0.854 -11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.208 0.141 -10.524 1.00 0.00 H new ATOM 330 N ILE A 22 -0.167 -3.781 -7.873 1.00 0.00 N ATOM 331 CA ILE A 22 -0.006 -5.018 -7.118 1.00 0.00 C ATOM 332 C ILE A 22 -1.320 -5.786 -7.034 1.00 0.00 C ATOM 333 O ILE A 22 -1.345 -7.011 -7.155 1.00 0.00 O ATOM 334 CB ILE A 22 0.509 -4.745 -5.693 1.00 0.00 C ATOM 335 CG1 ILE A 22 1.929 -4.177 -5.739 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.469 -6.018 -4.863 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.377 -3.562 -4.433 1.00 0.00 C ATOM 0 H ILE A 22 0.183 -2.949 -7.399 1.00 0.00 H new ATOM 0 HA ILE A 22 0.730 -5.620 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.141 -4.007 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.621 -4.973 -6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.985 -3.423 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.836 -5.809 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.556 -6.383 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.099 -6.776 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.392 -3.180 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.708 -2.744 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.354 -4.318 -3.648 1.00 0.00 H new ATOM 349 N LYS A 23 -2.412 -5.058 -6.828 1.00 0.00 N ATOM 350 CA LYS A 23 -3.732 -5.668 -6.730 1.00 0.00 C ATOM 351 C LYS A 23 -4.095 -6.390 -8.023 1.00 0.00 C ATOM 352 O LYS A 23 -4.070 -7.618 -8.088 1.00 0.00 O ATOM 353 CB LYS A 23 -4.787 -4.605 -6.414 1.00 0.00 C ATOM 354 CG LYS A 23 -6.178 -5.174 -6.196 1.00 0.00 C ATOM 355 CD LYS A 23 -6.272 -5.929 -4.882 1.00 0.00 C ATOM 356 CE LYS A 23 -7.655 -6.531 -4.683 1.00 0.00 C ATOM 357 NZ LYS A 23 -7.804 -7.146 -3.335 1.00 0.00 N ATOM 0 H LYS A 23 -2.408 -4.043 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.707 -6.398 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.483 -4.058 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.822 -3.886 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.908 -4.365 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.432 -5.842 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.523 -6.721 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.045 -5.254 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.410 -5.756 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.836 -7.286 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.760 -7.545 -3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.100 -7.903 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.657 -6.421 -2.604 1.00 0.00 H new ATOM 371 N ASN A 24 -4.430 -5.618 -9.053 1.00 0.00 N ATOM 372 CA ASN A 24 -4.797 -6.184 -10.346 1.00 0.00 C ATOM 373 C ASN A 24 -3.985 -7.443 -10.639 1.00 0.00 C ATOM 374 O ASN A 24 -4.515 -8.431 -11.143 1.00 0.00 O ATOM 375 CB ASN A 24 -4.581 -5.154 -11.457 1.00 0.00 C ATOM 376 CG ASN A 24 -5.394 -5.466 -12.699 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.617 -5.591 -12.640 1.00 0.00 O ATOM 378 ND2 ASN A 24 -4.714 -5.593 -13.833 1.00 0.00 N ATOM 0 H ASN A 24 -4.455 -4.599 -9.017 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.852 -6.454 -10.310 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.850 -4.164 -11.089 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.523 -5.120 -11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.206 -5.802 -14.702 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.700 -5.481 -13.835 1.00 0.00 H new ATOM 385 N GLU A 25 -2.696 -7.396 -10.318 1.00 0.00 N ATOM 386 CA GLU A 25 -1.810 -8.532 -10.547 1.00 0.00 C ATOM 387 C GLU A 25 -2.287 -9.757 -9.772 1.00 0.00 C ATOM 388 O GLU A 25 -2.512 -10.823 -10.348 1.00 0.00 O ATOM 389 CB GLU A 25 -0.379 -8.182 -10.139 1.00 0.00 C ATOM 390 CG GLU A 25 0.674 -9.050 -10.807 1.00 0.00 C ATOM 391 CD GLU A 25 2.077 -8.496 -10.645 1.00 0.00 C ATOM 392 OE1 GLU A 25 2.683 -8.720 -9.577 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.567 -7.837 -11.586 1.00 0.00 O ATOM 0 H GLU A 25 -2.242 -6.584 -9.899 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.828 -8.766 -11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.186 -7.138 -10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.285 -8.279 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.633 -10.054 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.444 -9.141 -11.869 1.00 0.00 H new ATOM 400 N LEU A 26 -2.437 -9.599 -8.461 1.00 0.00 N ATOM 401 CA LEU A 26 -2.885 -10.691 -7.604 1.00 0.00 C ATOM 402 C LEU A 26 -4.215 -11.257 -8.095 1.00 0.00 C ATOM 403 O LEU A 26 -4.419 -12.471 -8.106 1.00 0.00 O ATOM 404 CB LEU A 26 -3.024 -10.210 -6.160 1.00 0.00 C ATOM 405 CG LEU A 26 -4.048 -10.951 -5.300 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.563 -12.358 -4.988 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.323 -10.183 -4.016 1.00 0.00 C ATOM 0 H LEU A 26 -2.255 -8.725 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.137 -11.482 -7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.050 -10.288 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.289 -9.153 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.980 -11.025 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.304 -12.871 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.418 -12.908 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.618 -12.306 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.054 -10.726 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.397 -10.077 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.715 -9.195 -4.260 1.00 0.00 H new ATOM 419 N LEU A 27 -5.115 -10.369 -8.500 1.00 0.00 N ATOM 420 CA LEU A 27 -6.425 -10.779 -8.994 1.00 0.00 C ATOM 421 C LEU A 27 -6.295 -11.574 -10.288 1.00 0.00 C ATOM 422 O LEU A 27 -7.045 -12.520 -10.525 1.00 0.00 O ATOM 423 CB LEU A 27 -7.312 -9.554 -9.221 1.00 0.00 C ATOM 424 CG LEU A 27 -7.803 -8.837 -7.963 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.299 -7.440 -8.303 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.899 -9.643 -7.282 1.00 0.00 C ATOM 0 H LEU A 27 -4.962 -9.361 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.886 -11.419 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.760 -8.839 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.181 -9.863 -9.801 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.965 -8.744 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.644 -6.946 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.486 -6.863 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.122 -7.509 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.236 -9.117 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.737 -9.768 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.510 -10.622 -7.002 1.00 0.00 H new ATOM 438 N GLN A 28 -5.337 -11.183 -11.123 1.00 0.00 N ATOM 439 CA GLN A 28 -5.107 -11.861 -12.393 1.00 0.00 C ATOM 440 C GLN A 28 -4.581 -13.275 -12.169 1.00 0.00 C ATOM 441 O GLN A 28 -5.159 -14.246 -12.652 1.00 0.00 O ATOM 442 CB GLN A 28 -4.120 -11.066 -13.249 1.00 0.00 C ATOM 443 CG GLN A 28 -4.777 -9.989 -14.096 1.00 0.00 C ATOM 444 CD GLN A 28 -5.377 -10.537 -15.376 1.00 0.00 C ATOM 445 OE1 GLN A 28 -4.740 -11.312 -16.091 1.00 0.00 O ATOM 446 NE2 GLN A 28 -6.608 -10.137 -15.673 1.00 0.00 N ATOM 0 H GLN A 28 -4.708 -10.400 -10.943 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.060 -11.927 -12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.379 -10.602 -12.598 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.584 -11.754 -13.903 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.558 -9.500 -13.513 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.039 -9.226 -14.343 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.099 -9.494 -15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.062 -10.473 -16.522 1.00 0.00 H new ATOM 455 N ALA A 29 -3.479 -13.380 -11.434 1.00 0.00 N ATOM 456 CA ALA A 29 -2.876 -14.675 -11.143 1.00 0.00 C ATOM 457 C ALA A 29 -3.929 -15.685 -10.700 1.00 0.00 C ATOM 458 O ALA A 29 -4.824 -15.359 -9.922 1.00 0.00 O ATOM 459 CB ALA A 29 -1.800 -14.529 -10.077 1.00 0.00 C ATOM 0 H ALA A 29 -2.986 -12.584 -11.029 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.417 -15.047 -12.059 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.358 -15.504 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.026 -13.848 -10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.243 -14.130 -9.165 1.00 0.00 H new ATOM 465 N GLN A 30 -3.815 -16.910 -11.203 1.00 0.00 N ATOM 466 CA GLN A 30 -4.759 -17.967 -10.858 1.00 0.00 C ATOM 467 C GLN A 30 -4.327 -18.690 -9.587 1.00 0.00 C ATOM 468 O GLN A 30 -5.161 -19.105 -8.783 1.00 0.00 O ATOM 469 CB GLN A 30 -4.882 -18.965 -12.011 1.00 0.00 C ATOM 470 CG GLN A 30 -5.289 -18.326 -13.329 1.00 0.00 C ATOM 471 CD GLN A 30 -6.609 -17.585 -13.234 1.00 0.00 C ATOM 472 OE1 GLN A 30 -7.608 -18.129 -12.763 1.00 0.00 O ATOM 473 NE2 GLN A 30 -6.619 -16.335 -13.681 1.00 0.00 N ATOM 0 H GLN A 30 -3.080 -17.195 -11.850 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.731 -17.508 -10.679 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.927 -19.474 -12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.615 -19.727 -11.745 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.510 -17.634 -13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.364 -19.098 -14.095 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.768 -15.923 -14.064 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.478 -15.786 -13.642 1.00 0.00 H new ATOM 482 N ASN A 31 -3.018 -18.838 -9.412 1.00 0.00 N ATOM 483 CA ASN A 31 -2.475 -19.512 -8.238 1.00 0.00 C ATOM 484 C ASN A 31 -1.664 -18.545 -7.382 1.00 0.00 C ATOM 485 O ASN A 31 -0.444 -18.657 -7.261 1.00 0.00 O ATOM 486 CB ASN A 31 -1.598 -20.693 -8.663 1.00 0.00 C ATOM 487 CG ASN A 31 -2.413 -21.852 -9.204 1.00 0.00 C ATOM 488 OD1 ASN A 31 -3.622 -21.736 -9.405 1.00 0.00 O ATOM 489 ND2 ASN A 31 -1.752 -22.979 -9.442 1.00 0.00 N ATOM 0 H ASN A 31 -2.314 -18.500 -10.068 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.310 -19.883 -7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.892 -20.362 -9.424 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.011 -21.032 -7.809 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.247 -23.793 -9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.750 -23.030 -9.261 1.00 0.00 H new ATOM 496 N PRO A 32 -2.357 -17.572 -6.772 1.00 0.00 N ATOM 497 CA PRO A 32 -1.722 -16.566 -5.914 1.00 0.00 C ATOM 498 C PRO A 32 -1.213 -17.160 -4.604 1.00 0.00 C ATOM 499 O PRO A 32 -0.697 -16.443 -3.746 1.00 0.00 O ATOM 500 CB PRO A 32 -2.849 -15.567 -5.646 1.00 0.00 C ATOM 501 CG PRO A 32 -4.102 -16.356 -5.807 1.00 0.00 C ATOM 502 CD PRO A 32 -3.813 -17.378 -6.871 1.00 0.00 C ATOM 0 HA PRO A 32 -0.845 -16.123 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.773 -15.145 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.814 -14.733 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.384 -16.837 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.933 -15.714 -6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.355 -18.307 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.105 -17.023 -7.859 1.00 0.00 H new ATOM 510 N SER A 33 -1.360 -18.472 -4.457 1.00 0.00 N ATOM 511 CA SER A 33 -0.918 -19.162 -3.251 1.00 0.00 C ATOM 512 C SER A 33 0.556 -18.879 -2.973 1.00 0.00 C ATOM 513 O SER A 33 1.044 -19.105 -1.867 1.00 0.00 O ATOM 514 CB SER A 33 -1.144 -20.669 -3.387 1.00 0.00 C ATOM 515 OG SER A 33 -2.526 -20.972 -3.466 1.00 0.00 O ATOM 0 H SER A 33 -1.782 -19.080 -5.159 1.00 0.00 H new ATOM 0 HA SER A 33 -1.506 -18.789 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.636 -21.037 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.704 -21.185 -2.534 1.00 0.00 H new ATOM 0 HG SER A 33 -2.644 -21.941 -3.554 1.00 0.00 H new ATOM 521 N GLU A 34 1.258 -18.385 -3.988 1.00 0.00 N ATOM 522 CA GLU A 34 2.676 -18.073 -3.854 1.00 0.00 C ATOM 523 C GLU A 34 2.906 -16.565 -3.883 1.00 0.00 C ATOM 524 O GLU A 34 3.831 -16.054 -3.249 1.00 0.00 O ATOM 525 CB GLU A 34 3.477 -18.744 -4.972 1.00 0.00 C ATOM 526 CG GLU A 34 3.461 -20.262 -4.905 1.00 0.00 C ATOM 527 CD GLU A 34 4.382 -20.900 -5.928 1.00 0.00 C ATOM 528 OE1 GLU A 34 4.339 -20.484 -7.105 1.00 0.00 O ATOM 529 OE2 GLU A 34 5.143 -21.815 -5.552 1.00 0.00 O ATOM 0 H GLU A 34 0.868 -18.192 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 34 3.017 -18.457 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.077 -18.427 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.509 -18.397 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.757 -20.581 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.443 -20.619 -5.065 1.00 0.00 H new ATOM 536 N LEU A 35 2.060 -15.858 -4.624 1.00 0.00 N ATOM 537 CA LEU A 35 2.170 -14.407 -4.736 1.00 0.00 C ATOM 538 C LEU A 35 1.915 -13.735 -3.392 1.00 0.00 C ATOM 539 O LEU A 35 2.491 -12.690 -3.089 1.00 0.00 O ATOM 540 CB LEU A 35 1.182 -13.880 -5.779 1.00 0.00 C ATOM 541 CG LEU A 35 1.537 -14.158 -7.241 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.547 -13.472 -8.169 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.957 -13.702 -7.540 1.00 0.00 C ATOM 0 H LEU A 35 1.291 -16.265 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 35 3.185 -14.168 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.203 -14.314 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.087 -12.802 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 35 1.479 -15.233 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.815 -13.680 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.457 -13.847 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.573 -12.396 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.193 -13.907 -8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.043 -12.632 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.655 -14.240 -6.898 1.00 0.00 H new ATOM 555 N TYR A 36 1.050 -14.343 -2.587 1.00 0.00 N ATOM 556 CA TYR A 36 0.718 -13.803 -1.274 1.00 0.00 C ATOM 557 C TYR A 36 1.953 -13.215 -0.599 1.00 0.00 C ATOM 558 O TYR A 36 1.971 -12.042 -0.222 1.00 0.00 O ATOM 559 CB TYR A 36 0.109 -14.893 -0.390 1.00 0.00 C ATOM 560 CG TYR A 36 -1.297 -15.280 -0.788 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.250 -14.311 -1.074 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.672 -16.615 -0.878 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.537 -14.659 -1.437 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.956 -16.973 -1.241 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.885 -15.991 -1.519 1.00 0.00 C ATOM 566 OH TYR A 36 -5.165 -16.343 -1.881 1.00 0.00 O ATOM 0 H TYR A 36 0.566 -15.210 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.013 -13.006 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.745 -15.777 -0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.103 -14.549 0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.980 -13.267 -1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.947 -17.386 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.266 -13.893 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.231 -18.015 -1.307 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.245 -17.320 -1.892 1.00 0.00 H new ATOM 576 N LEU A 37 2.985 -14.038 -0.449 1.00 0.00 N ATOM 577 CA LEU A 37 4.227 -13.601 0.181 1.00 0.00 C ATOM 578 C LEU A 37 4.712 -12.288 -0.425 1.00 0.00 C ATOM 579 O LEU A 37 4.952 -11.315 0.289 1.00 0.00 O ATOM 580 CB LEU A 37 5.305 -14.676 0.027 1.00 0.00 C ATOM 581 CG LEU A 37 4.915 -16.086 0.472 1.00 0.00 C ATOM 582 CD1 LEU A 37 5.736 -17.127 -0.273 1.00 0.00 C ATOM 583 CD2 LEU A 37 5.094 -16.239 1.976 1.00 0.00 C ATOM 0 H LEU A 37 2.987 -15.011 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 37 4.031 -13.440 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.602 -14.717 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.182 -14.367 0.595 1.00 0.00 H new ATOM 0 HG LEU A 37 3.863 -16.244 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.445 -18.124 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.558 -17.032 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.795 -16.971 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.812 -17.248 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.137 -16.061 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.462 -15.517 2.493 1.00 0.00 H new ATOM 595 N SER A 38 4.852 -12.268 -1.747 1.00 0.00 N ATOM 596 CA SER A 38 5.310 -11.074 -2.449 1.00 0.00 C ATOM 597 C SER A 38 4.336 -9.917 -2.245 1.00 0.00 C ATOM 598 O SER A 38 4.668 -8.918 -1.608 1.00 0.00 O ATOM 599 CB SER A 38 5.469 -11.365 -3.942 1.00 0.00 C ATOM 600 OG SER A 38 6.526 -12.281 -4.174 1.00 0.00 O ATOM 0 H SER A 38 4.655 -13.064 -2.353 1.00 0.00 H new ATOM 0 HA SER A 38 6.278 -10.788 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.538 -11.771 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.664 -10.436 -4.478 1.00 0.00 H new ATOM 0 HG SER A 38 6.606 -12.452 -5.136 1.00 0.00 H new ATOM 606 N SER A 39 3.133 -10.061 -2.791 1.00 0.00 N ATOM 607 CA SER A 39 2.112 -9.027 -2.673 1.00 0.00 C ATOM 608 C SER A 39 2.165 -8.366 -1.299 1.00 0.00 C ATOM 609 O SER A 39 2.084 -7.143 -1.183 1.00 0.00 O ATOM 610 CB SER A 39 0.724 -9.623 -2.912 1.00 0.00 C ATOM 611 OG SER A 39 0.698 -10.399 -4.098 1.00 0.00 O ATOM 0 H SER A 39 2.842 -10.883 -3.319 1.00 0.00 H new ATOM 0 HA SER A 39 2.309 -8.268 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.440 -10.243 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.012 -8.822 -2.982 1.00 0.00 H new ATOM 0 HG SER A 39 -0.200 -10.770 -4.227 1.00 0.00 H new ATOM 617 N LYS A 40 2.300 -9.183 -0.261 1.00 0.00 N ATOM 618 CA LYS A 40 2.364 -8.680 1.106 1.00 0.00 C ATOM 619 C LYS A 40 3.666 -7.923 1.346 1.00 0.00 C ATOM 620 O LYS A 40 3.658 -6.724 1.626 1.00 0.00 O ATOM 621 CB LYS A 40 2.242 -9.836 2.103 1.00 0.00 C ATOM 622 CG LYS A 40 1.739 -9.408 3.470 1.00 0.00 C ATOM 623 CD LYS A 40 1.256 -10.598 4.284 1.00 0.00 C ATOM 624 CE LYS A 40 1.329 -10.317 5.777 1.00 0.00 C ATOM 625 NZ LYS A 40 2.733 -10.297 6.270 1.00 0.00 N ATOM 0 H LYS A 40 2.367 -10.198 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 40 1.532 -7.992 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.566 -10.587 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.216 -10.312 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.537 -8.897 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.925 -8.692 3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.229 -10.837 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.862 -11.473 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.856 -9.358 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.765 -11.077 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.739 -10.392 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.261 -11.087 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.182 -9.398 6.002 1.00 0.00 H new ATOM 639 N THR A 41 4.786 -8.631 1.234 1.00 0.00 N ATOM 640 CA THR A 41 6.096 -8.026 1.439 1.00 0.00 C ATOM 641 C THR A 41 6.174 -6.650 0.789 1.00 0.00 C ATOM 642 O THR A 41 6.272 -5.634 1.476 1.00 0.00 O ATOM 643 CB THR A 41 7.220 -8.914 0.872 1.00 0.00 C ATOM 644 OG1 THR A 41 7.131 -10.231 1.426 1.00 0.00 O ATOM 645 CG2 THR A 41 8.587 -8.319 1.179 1.00 0.00 C ATOM 0 H THR A 41 4.812 -9.624 1.002 1.00 0.00 H new ATOM 0 HA THR A 41 6.232 -7.924 2.516 1.00 0.00 H new ATOM 0 HB THR A 41 7.100 -8.968 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.522 -10.774 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.365 -8.963 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.662 -7.329 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.715 -8.238 2.258 1.00 0.00 H new ATOM 653 N GLU A 42 6.129 -6.625 -0.540 1.00 0.00 N ATOM 654 CA GLU A 42 6.194 -5.372 -1.282 1.00 0.00 C ATOM 655 C GLU A 42 5.337 -4.299 -0.616 1.00 0.00 C ATOM 656 O GLU A 42 5.848 -3.272 -0.166 1.00 0.00 O ATOM 657 CB GLU A 42 5.734 -5.584 -2.726 1.00 0.00 C ATOM 658 CG GLU A 42 5.815 -4.330 -3.581 1.00 0.00 C ATOM 659 CD GLU A 42 7.242 -3.916 -3.876 1.00 0.00 C ATOM 660 OE1 GLU A 42 7.885 -3.322 -2.985 1.00 0.00 O ATOM 661 OE2 GLU A 42 7.717 -4.186 -4.999 1.00 0.00 O ATOM 0 H GLU A 42 6.048 -7.458 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 42 7.230 -5.035 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.344 -6.364 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.705 -5.945 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.289 -4.501 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.302 -3.514 -3.072 1.00 0.00 H new ATOM 668 N LEU A 43 4.033 -4.544 -0.556 1.00 0.00 N ATOM 669 CA LEU A 43 3.104 -3.600 0.055 1.00 0.00 C ATOM 670 C LEU A 43 3.744 -2.904 1.252 1.00 0.00 C ATOM 671 O LEU A 43 3.687 -1.681 1.374 1.00 0.00 O ATOM 672 CB LEU A 43 1.828 -4.320 0.491 1.00 0.00 C ATOM 673 CG LEU A 43 0.813 -4.617 -0.613 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.256 -5.575 -0.112 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.183 -3.328 -1.119 1.00 0.00 C ATOM 0 H LEU A 43 3.595 -5.389 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 43 2.851 -2.844 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.109 -5.262 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.337 -3.717 1.255 1.00 0.00 H new ATOM 0 HG LEU A 43 1.336 -5.092 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.969 -5.775 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.210 -6.510 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.776 -5.129 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.537 -3.559 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.326 -2.825 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.960 -2.676 -1.519 1.00 0.00 H new ATOM 687 N GLN A 44 4.355 -3.692 2.131 1.00 0.00 N ATOM 688 CA GLN A 44 5.007 -3.151 3.318 1.00 0.00 C ATOM 689 C GLN A 44 5.988 -2.046 2.943 1.00 0.00 C ATOM 690 O GLN A 44 5.789 -0.881 3.286 1.00 0.00 O ATOM 691 CB GLN A 44 5.734 -4.261 4.077 1.00 0.00 C ATOM 692 CG GLN A 44 4.825 -5.402 4.506 1.00 0.00 C ATOM 693 CD GLN A 44 5.394 -6.197 5.665 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.553 -6.614 5.637 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.580 -6.412 6.691 1.00 0.00 N ATOM 0 H GLN A 44 4.412 -4.707 2.044 1.00 0.00 H new ATOM 0 HA GLN A 44 4.238 -2.725 3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.530 -4.659 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.209 -3.834 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.852 -5.000 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.660 -6.068 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.627 -6.048 6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.907 -6.941 7.499 1.00 0.00 H new ATOM 704 N GLY A 45 7.051 -2.420 2.237 1.00 0.00 N ATOM 705 CA GLY A 45 8.049 -1.449 1.827 1.00 0.00 C ATOM 706 C GLY A 45 7.445 -0.098 1.501 1.00 0.00 C ATOM 707 O GLY A 45 7.875 0.928 2.031 1.00 0.00 O ATOM 0 H GLY A 45 7.239 -3.378 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.785 -1.332 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.581 -1.826 0.953 1.00 0.00 H new ATOM 711 N LEU A 46 6.445 -0.095 0.625 1.00 0.00 N ATOM 712 CA LEU A 46 5.780 1.141 0.227 1.00 0.00 C ATOM 713 C LEU A 46 5.439 1.993 1.445 1.00 0.00 C ATOM 714 O LEU A 46 5.882 3.136 1.560 1.00 0.00 O ATOM 715 CB LEU A 46 4.509 0.827 -0.563 1.00 0.00 C ATOM 716 CG LEU A 46 4.697 0.004 -1.838 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.368 -0.576 -2.299 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.319 0.855 -2.935 1.00 0.00 C ATOM 0 H LEU A 46 6.077 -0.935 0.177 1.00 0.00 H new ATOM 0 HA LEU A 46 6.464 1.705 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.821 0.293 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.029 1.769 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 46 5.374 -0.822 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.521 -1.159 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.962 -1.220 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.668 0.235 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.445 0.253 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.667 1.701 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.291 1.222 -2.604 1.00 0.00 H new ATOM 730 N ILE A 47 4.651 1.428 2.354 1.00 0.00 N ATOM 731 CA ILE A 47 4.254 2.134 3.565 1.00 0.00 C ATOM 732 C ILE A 47 5.396 2.992 4.101 1.00 0.00 C ATOM 733 O ILE A 47 5.168 4.034 4.714 1.00 0.00 O ATOM 734 CB ILE A 47 3.800 1.156 4.665 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.608 0.329 4.182 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.446 1.914 5.935 1.00 0.00 C ATOM 737 CD1 ILE A 47 2.082 -0.638 5.220 1.00 0.00 C ATOM 0 H ILE A 47 4.275 0.483 2.274 1.00 0.00 H new ATOM 0 HA ILE A 47 3.416 2.777 3.295 1.00 0.00 H new ATOM 0 HB ILE A 47 4.623 0.477 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.805 1.003 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.900 -0.229 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.127 1.209 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.320 2.463 6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.637 2.614 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.237 -1.190 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.871 -1.336 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.758 -0.085 6.102 1.00 0.00 H new ATOM 749 N GLY A 48 6.625 2.545 3.864 1.00 0.00 N ATOM 750 CA GLY A 48 7.785 3.283 4.329 1.00 0.00 C ATOM 751 C GLY A 48 7.740 4.745 3.927 1.00 0.00 C ATOM 752 O GLY A 48 7.951 5.629 4.758 1.00 0.00 O ATOM 0 H GLY A 48 6.838 1.685 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.848 3.209 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.689 2.826 3.926 1.00 0.00 H new ATOM 756 N GLN A 49 7.469 4.998 2.652 1.00 0.00 N ATOM 757 CA GLN A 49 7.400 6.362 2.142 1.00 0.00 C ATOM 758 C GLN A 49 6.518 7.232 3.032 1.00 0.00 C ATOM 759 O GLN A 49 6.657 8.456 3.056 1.00 0.00 O ATOM 760 CB GLN A 49 6.863 6.368 0.709 1.00 0.00 C ATOM 761 CG GLN A 49 7.816 5.749 -0.300 1.00 0.00 C ATOM 762 CD GLN A 49 7.421 6.045 -1.733 1.00 0.00 C ATOM 763 OE1 GLN A 49 7.209 7.199 -2.106 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.320 5.000 -2.547 1.00 0.00 N ATOM 0 H GLN A 49 7.293 4.277 1.953 1.00 0.00 H new ATOM 0 HA GLN A 49 8.409 6.775 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.917 5.827 0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.651 7.396 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.824 6.124 -0.120 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.846 4.670 -0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.505 4.060 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.058 5.137 -3.523 1.00 0.00 H new ATOM 773 N LEU A 50 5.609 6.593 3.761 1.00 0.00 N ATOM 774 CA LEU A 50 4.703 7.309 4.652 1.00 0.00 C ATOM 775 C LEU A 50 5.361 7.568 6.004 1.00 0.00 C ATOM 776 O LEU A 50 4.698 7.556 7.041 1.00 0.00 O ATOM 777 CB LEU A 50 3.411 6.514 4.845 1.00 0.00 C ATOM 778 CG LEU A 50 2.588 6.253 3.583 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.555 5.166 3.834 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.914 7.535 3.113 1.00 0.00 C ATOM 0 H LEU A 50 5.480 5.581 3.752 1.00 0.00 H new ATOM 0 HA LEU A 50 4.466 8.269 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.663 5.554 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.784 7.047 5.560 1.00 0.00 H new ATOM 0 HG LEU A 50 3.261 5.910 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.979 4.994 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.060 4.244 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.884 5.479 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.332 7.332 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.253 7.907 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.673 8.285 2.892 1.00 0.00 H new ATOM 792 N ASP A 51 6.669 7.803 5.985 1.00 0.00 N ATOM 793 CA ASP A 51 7.416 8.068 7.208 1.00 0.00 C ATOM 794 C ASP A 51 8.016 9.471 7.186 1.00 0.00 C ATOM 795 O ASP A 51 8.710 9.843 6.241 1.00 0.00 O ATOM 796 CB ASP A 51 8.523 7.029 7.390 1.00 0.00 C ATOM 797 CG ASP A 51 9.265 7.197 8.702 1.00 0.00 C ATOM 798 OD1 ASP A 51 10.171 8.055 8.766 1.00 0.00 O ATOM 799 OD2 ASP A 51 8.940 6.470 9.663 1.00 0.00 O ATOM 0 H ASP A 51 7.233 7.815 5.135 1.00 0.00 H new ATOM 0 HA ASP A 51 6.725 8.002 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.090 6.030 7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.230 7.107 6.564 1.00 0.00 H new ATOM 804 N GLU A 52 7.740 10.243 8.233 1.00 0.00 N ATOM 805 CA GLU A 52 8.251 11.605 8.331 1.00 0.00 C ATOM 806 C GLU A 52 7.532 12.529 7.351 1.00 0.00 C ATOM 807 O GLU A 52 8.088 13.533 6.905 1.00 0.00 O ATOM 808 CB GLU A 52 9.757 11.630 8.059 1.00 0.00 C ATOM 809 CG GLU A 52 10.482 12.769 8.755 1.00 0.00 C ATOM 810 CD GLU A 52 11.988 12.590 8.750 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.623 12.926 7.729 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.532 12.116 9.771 1.00 0.00 O ATOM 0 H GLU A 52 7.167 9.949 9.024 1.00 0.00 H new ATOM 0 HA GLU A 52 8.065 11.962 9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.192 10.684 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.922 11.708 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.230 13.709 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.132 12.843 9.785 1.00 0.00 H new ATOM 819 N VAL A 53 6.294 12.180 7.019 1.00 0.00 N ATOM 820 CA VAL A 53 5.498 12.976 6.092 1.00 0.00 C ATOM 821 C VAL A 53 4.394 13.730 6.825 1.00 0.00 C ATOM 822 O VAL A 53 3.208 13.493 6.596 1.00 0.00 O ATOM 823 CB VAL A 53 4.864 12.097 4.998 1.00 0.00 C ATOM 824 CG1 VAL A 53 5.936 11.315 4.254 1.00 0.00 C ATOM 825 CG2 VAL A 53 3.830 11.157 5.601 1.00 0.00 C ATOM 0 H VAL A 53 5.820 11.351 7.378 1.00 0.00 H new ATOM 0 HA VAL A 53 6.176 13.691 5.625 1.00 0.00 H new ATOM 0 HB VAL A 53 4.358 12.746 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.469 10.699 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.636 12.009 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.472 10.675 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.393 10.544 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.310 10.513 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.046 11.740 6.084 1.00 0.00 H new ATOM 941 N ILE A 61 -1.879 16.073 2.633 1.00 0.00 N ATOM 942 CA ILE A 61 -1.034 15.233 3.472 1.00 0.00 C ATOM 943 C ILE A 61 -1.831 14.625 4.622 1.00 0.00 C ATOM 944 O ILE A 61 -1.741 13.427 4.888 1.00 0.00 O ATOM 945 CB ILE A 61 0.153 16.027 4.050 1.00 0.00 C ATOM 946 CG1 ILE A 61 1.140 16.393 2.938 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.848 15.224 5.139 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.679 17.548 2.078 1.00 0.00 C ATOM 0 HA ILE A 61 -0.652 14.435 2.835 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.226 16.949 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.102 16.645 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.301 15.521 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.684 15.799 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.141 15.009 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.218 14.288 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.427 17.752 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.268 17.292 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.545 18.434 2.699 1.00 0.00 H new ATOM 960 N ARG A 62 -2.613 15.461 5.298 1.00 0.00 N ATOM 961 CA ARG A 62 -3.429 15.006 6.418 1.00 0.00 C ATOM 962 C ARG A 62 -4.343 13.860 5.995 1.00 0.00 C ATOM 963 O ARG A 62 -4.867 13.128 6.836 1.00 0.00 O ATOM 964 CB ARG A 62 -4.263 16.162 6.971 1.00 0.00 C ATOM 965 CG ARG A 62 -5.357 16.630 6.026 1.00 0.00 C ATOM 966 CD ARG A 62 -6.437 17.406 6.764 1.00 0.00 C ATOM 967 NE ARG A 62 -7.295 18.154 5.849 1.00 0.00 N ATOM 968 CZ ARG A 62 -8.057 19.176 6.226 1.00 0.00 C ATOM 969 NH1 ARG A 62 -8.066 19.568 7.492 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.811 19.806 5.334 1.00 0.00 N ATOM 0 H ARG A 62 -2.699 16.456 5.090 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.760 14.644 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.716 15.854 7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.603 17.001 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.923 17.258 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.802 15.769 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.045 16.715 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.971 18.095 7.469 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.310 17.877 4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.487 19.085 8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.651 20.352 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.806 19.506 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.396 20.590 5.623 1.00 0.00 H new ATOM 984 N GLU A 63 -4.531 13.711 4.688 1.00 0.00 N ATOM 985 CA GLU A 63 -5.384 12.656 4.154 1.00 0.00 C ATOM 986 C GLU A 63 -4.546 11.531 3.553 1.00 0.00 C ATOM 987 O GLU A 63 -4.534 10.411 4.063 1.00 0.00 O ATOM 988 CB GLU A 63 -6.333 13.221 3.095 1.00 0.00 C ATOM 989 CG GLU A 63 -7.389 12.232 2.632 1.00 0.00 C ATOM 990 CD GLU A 63 -8.583 12.911 1.991 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.014 13.963 2.507 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.087 12.390 0.975 1.00 0.00 O ATOM 0 H GLU A 63 -4.104 14.308 3.979 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.972 12.249 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.827 14.105 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.750 13.546 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.944 11.539 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.726 11.641 3.484 1.00 0.00 H new ATOM 999 N ALA A 64 -3.847 11.838 2.465 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.005 10.855 1.794 1.00 0.00 C ATOM 1001 C ALA A 64 -2.270 9.981 2.805 1.00 0.00 C ATOM 1002 O ALA A 64 -2.219 8.760 2.664 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.013 11.549 0.874 1.00 0.00 C ATOM 0 H ALA A 64 -3.847 12.760 2.029 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.649 10.210 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.391 10.802 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.554 12.125 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.381 12.218 1.458 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.700 10.617 3.825 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.966 9.897 4.859 1.00 0.00 C ATOM 1011 C ARG A 65 -1.812 8.771 5.443 1.00 0.00 C ATOM 1012 O ARG A 65 -1.467 7.594 5.323 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.536 10.855 5.970 1.00 0.00 C ATOM 1014 CG ARG A 65 0.195 10.173 7.114 1.00 0.00 C ATOM 1015 CD ARG A 65 0.828 11.187 8.055 1.00 0.00 C ATOM 1016 NE ARG A 65 0.915 10.685 9.423 1.00 0.00 N ATOM 1017 CZ ARG A 65 -0.130 10.591 10.238 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -1.334 10.963 9.825 1.00 0.00 N ATOM 1019 NH2 ARG A 65 0.029 10.124 11.471 1.00 0.00 N ATOM 0 H ARG A 65 -1.733 11.628 3.957 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.078 9.461 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.109 11.624 5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.418 11.360 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.502 9.545 7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.967 9.516 6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.826 11.439 7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.243 12.107 8.043 1.00 0.00 H new ATOM 0 HE ARG A 65 1.827 10.391 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.460 11.323 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.134 10.889 10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.954 9.837 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.773 10.052 12.096 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.921 9.138 6.076 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.816 8.159 6.681 1.00 0.00 C ATOM 1035 C ARG A 66 -4.424 7.249 5.618 1.00 0.00 C ATOM 1036 O ARG A 66 -4.188 6.041 5.613 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.928 8.865 7.460 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.457 8.057 8.634 1.00 0.00 C ATOM 1039 CD ARG A 66 -4.470 8.041 9.791 1.00 0.00 C ATOM 1040 NE ARG A 66 -5.117 7.712 11.058 1.00 0.00 N ATOM 1041 CZ ARG A 66 -5.396 6.471 11.440 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -5.086 5.447 10.658 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -5.987 6.253 12.609 1.00 0.00 N ATOM 0 H ARG A 66 -3.222 10.107 6.183 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.233 7.547 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.553 9.820 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.752 9.086 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.405 8.478 8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.658 7.035 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.683 7.315 9.586 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.990 9.016 9.872 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.368 8.477 11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.632 5.611 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.302 4.495 10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.227 7.039 13.214 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.201 5.300 12.902 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.209 7.837 4.721 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.852 7.080 3.656 1.00 0.00 C ATOM 1059 C ARG A 67 -4.925 5.988 3.127 1.00 0.00 C ATOM 1060 O ARG A 67 -5.283 4.811 3.108 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.262 8.012 2.514 1.00 0.00 C ATOM 1062 CG ARG A 67 -6.948 7.297 1.361 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.560 8.285 0.379 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.901 8.699 0.783 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.768 9.282 -0.037 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.437 9.518 -1.298 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.970 9.630 0.406 1.00 0.00 N ATOM 0 H ARG A 67 -5.414 8.836 4.712 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.743 6.607 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.931 8.779 2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.376 8.523 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.227 6.666 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.726 6.640 1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.918 9.162 0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.604 7.832 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.187 8.531 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.514 9.252 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.105 9.966 -1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.228 9.450 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.636 10.078 -0.224 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.732 6.389 2.701 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.754 5.446 2.174 1.00 0.00 C ATOM 1083 C ALA A 68 -2.566 4.264 3.119 1.00 0.00 C ATOM 1084 O ALA A 68 -2.767 3.112 2.738 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.425 6.145 1.930 1.00 0.00 C ATOM 0 H ALA A 68 -3.420 7.360 2.711 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.130 5.063 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.704 5.429 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.565 6.952 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.053 6.556 2.868 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.178 4.558 4.357 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.963 3.520 5.357 1.00 0.00 C ATOM 1093 C VAL A 69 -2.986 2.399 5.215 1.00 0.00 C ATOM 1094 O VAL A 69 -2.631 1.219 5.202 1.00 0.00 O ATOM 1095 CB VAL A 69 -2.040 4.093 6.785 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.755 3.006 7.812 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.074 5.256 6.946 1.00 0.00 C ATOM 0 H VAL A 69 -2.006 5.507 4.690 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.964 3.119 5.187 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.051 4.465 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.814 3.429 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.491 2.208 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.756 2.602 7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.142 5.648 7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.057 4.913 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.329 6.042 6.236 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.256 2.774 5.107 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.330 1.800 4.964 1.00 0.00 C ATOM 1109 C ILE A 70 -5.321 1.172 3.575 1.00 0.00 C ATOM 1110 O ILE A 70 -5.440 -0.044 3.432 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.708 2.440 5.217 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.733 3.127 6.584 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.805 1.390 5.125 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -6.212 4.547 6.556 1.00 0.00 C ATOM 0 H ILE A 70 -4.566 3.746 5.116 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.155 1.026 5.711 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.888 3.193 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.756 3.131 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.137 2.544 7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.773 1.858 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.798 0.943 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.631 0.616 5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.259 4.972 7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.179 4.549 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.822 5.145 5.880 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.178 2.011 2.553 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.152 1.537 1.174 1.00 0.00 C ATOM 1128 C GLU A 71 -4.057 0.493 0.978 1.00 0.00 C ATOM 1129 O GLU A 71 -4.050 -0.238 -0.012 1.00 0.00 O ATOM 1130 CB GLU A 71 -4.933 2.707 0.213 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.207 3.464 -0.125 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.045 2.755 -1.171 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.840 1.868 -0.795 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -6.906 3.087 -2.367 1.00 0.00 O ATOM 0 H GLU A 71 -5.079 3.021 2.654 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.115 1.074 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.215 3.399 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.488 2.331 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.798 3.596 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.949 4.460 -0.485 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.131 0.428 1.931 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.031 -0.526 1.864 1.00 0.00 C ATOM 1143 C VAL A 72 -2.138 -1.565 2.975 1.00 0.00 C ATOM 1144 O VAL A 72 -1.726 -2.713 2.805 1.00 0.00 O ATOM 1145 CB VAL A 72 -0.667 0.182 1.968 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.462 -0.837 1.999 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.484 1.157 0.815 1.00 0.00 C ATOM 0 H VAL A 72 -3.122 1.025 2.758 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.101 -1.023 0.897 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.640 0.747 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.418 -0.319 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.337 -1.492 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.441 -1.431 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.485 1.648 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.531 0.616 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.275 1.907 0.843 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.693 -1.156 4.110 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.854 -2.052 5.249 1.00 0.00 C ATOM 1159 C GLN A 73 -4.040 -2.988 5.042 1.00 0.00 C ATOM 1160 O GLN A 73 -4.174 -4.001 5.729 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.042 -1.248 6.536 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.743 -0.701 7.107 1.00 0.00 C ATOM 1163 CD GLN A 73 -0.850 -1.789 7.668 1.00 0.00 C ATOM 1164 OE1 GLN A 73 0.164 -2.146 7.066 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -1.220 -2.324 8.825 1.00 0.00 N ATOM 0 H GLN A 73 -3.039 -0.209 4.266 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.950 -2.654 5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.721 -0.418 6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.520 -1.881 7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.206 -0.162 6.327 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.971 0.019 7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.068 -1.998 9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.657 -3.061 9.249 1.00 0.00 H new ATOM 1174 N THR A 74 -4.901 -2.643 4.089 1.00 0.00 N ATOM 1175 CA THR A 74 -6.077 -3.450 3.793 1.00 0.00 C ATOM 1176 C THR A 74 -5.697 -4.719 3.037 1.00 0.00 C ATOM 1177 O THR A 74 -6.262 -5.788 3.275 1.00 0.00 O ATOM 1178 CB THR A 74 -7.105 -2.660 2.961 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.414 -3.210 3.150 1.00 0.00 O ATOM 1180 CG2 THR A 74 -6.746 -2.692 1.484 1.00 0.00 C ATOM 0 H THR A 74 -4.805 -1.809 3.509 1.00 0.00 H new ATOM 0 HA THR A 74 -6.524 -3.720 4.750 1.00 0.00 H new ATOM 0 HB THR A 74 -7.093 -1.624 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.062 -2.702 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.486 -2.128 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.762 -2.247 1.339 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.732 -3.725 1.135 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.736 -4.595 2.128 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.280 -5.732 1.338 1.00 0.00 C ATOM 1190 C LEU A 75 -3.457 -6.693 2.191 1.00 0.00 C ATOM 1191 O LEU A 75 -3.575 -7.912 2.060 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.449 -5.252 0.147 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.189 -4.407 -0.890 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.215 -3.851 -1.919 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.275 -5.227 -1.569 1.00 0.00 C ATOM 0 H LEU A 75 -4.258 -3.718 1.920 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.159 -6.262 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.608 -4.671 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.032 -6.125 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.662 -3.569 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.760 -3.252 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.474 -3.228 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.713 -4.674 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.791 -4.609 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.825 -6.085 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.989 -5.575 -0.822 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.628 -6.136 3.068 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.791 -6.944 3.945 1.00 0.00 C ATOM 1209 C ILE A 76 -2.636 -7.858 4.825 1.00 0.00 C ATOM 1210 O ILE A 76 -2.279 -9.013 5.064 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.902 -6.062 4.844 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.016 -5.156 3.988 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.054 -6.928 5.762 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.606 -4.013 4.762 1.00 0.00 C ATOM 0 H ILE A 76 -2.519 -5.129 3.190 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.155 -7.551 3.301 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.544 -5.433 5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.777 -5.755 3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.610 -4.749 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.568 -6.291 6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.704 -7.536 6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.582 -7.579 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.221 -3.412 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.181 -3.391 5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.227 -4.412 5.564 1.00 0.00 H new ATOM 1226 N THR A 77 -3.760 -7.335 5.305 1.00 0.00 N ATOM 1227 CA THR A 77 -4.658 -8.103 6.158 1.00 0.00 C ATOM 1228 C THR A 77 -5.408 -9.160 5.355 1.00 0.00 C ATOM 1229 O THR A 77 -5.585 -10.290 5.812 1.00 0.00 O ATOM 1230 CB THR A 77 -5.678 -7.191 6.865 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.004 -6.315 7.775 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.710 -8.017 7.619 1.00 0.00 C ATOM 0 H THR A 77 -4.070 -6.382 5.117 1.00 0.00 H new ATOM 0 HA THR A 77 -4.039 -8.593 6.909 1.00 0.00 H new ATOM 0 HB THR A 77 -6.192 -6.600 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.675 -5.529 7.290 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.420 -7.352 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.242 -8.662 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.209 -8.630 8.368 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.846 -8.787 4.159 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.580 -9.703 3.293 1.00 0.00 C ATOM 1242 C TYR A 78 -5.703 -10.883 2.883 1.00 0.00 C ATOM 1243 O TYR A 78 -6.168 -12.021 2.817 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.082 -8.969 2.049 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.472 -9.894 0.918 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.532 -10.783 1.054 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.782 -9.878 -0.288 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.891 -11.629 0.023 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -7.134 -10.721 -1.325 1.00 0.00 C ATOM 1250 CZ TYR A 78 -8.190 -11.595 -1.164 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.545 -12.436 -2.193 1.00 0.00 O ATOM 0 H TYR A 78 -5.706 -7.856 3.766 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.435 -10.085 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.942 -8.357 2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.305 -8.289 1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.084 -10.813 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.956 -9.195 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.717 -12.314 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.586 -10.696 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.952 -12.285 -2.958 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.434 -10.602 2.610 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.493 -11.640 2.208 1.00 0.00 C ATOM 1263 C ILE A 79 -3.068 -12.489 3.401 1.00 0.00 C ATOM 1264 O ILE A 79 -2.708 -13.656 3.248 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.238 -11.037 1.549 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.619 -10.267 0.283 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.231 -12.131 1.226 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.543 -9.321 -0.198 1.00 0.00 C ATOM 0 H ILE A 79 -4.034 -9.665 2.660 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.008 -12.269 1.482 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.777 -10.341 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.846 -10.979 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.531 -9.700 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.350 -11.689 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.939 -12.640 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.681 -12.849 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.884 -8.810 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.332 -8.585 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.637 -9.884 -0.421 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.114 -11.896 4.589 1.00 0.00 N ATOM 1281 CA ASP A 80 -2.738 -12.598 5.809 1.00 0.00 C ATOM 1282 C ASP A 80 -3.765 -13.672 6.158 1.00 0.00 C ATOM 1283 O ASP A 80 -3.407 -14.795 6.513 1.00 0.00 O ATOM 1284 CB ASP A 80 -2.599 -11.612 6.969 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.564 -12.304 8.318 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -1.940 -13.382 8.416 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.158 -11.767 9.275 1.00 0.00 O ATOM 0 H ASP A 80 -3.408 -10.930 4.732 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.777 -13.082 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.687 -11.030 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.432 -10.909 6.946 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.041 -13.317 6.056 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.121 -14.249 6.362 1.00 0.00 C ATOM 1294 C LEU A 81 -6.126 -15.417 5.381 1.00 0.00 C ATOM 1295 O LEU A 81 -6.040 -16.578 5.780 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.469 -13.529 6.321 1.00 0.00 C ATOM 1297 CG LEU A 81 -7.616 -12.325 7.253 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -8.647 -11.350 6.707 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -7.994 -12.778 8.656 1.00 0.00 C ATOM 0 H LEU A 81 -5.353 -12.391 5.764 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.956 -14.641 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.649 -13.196 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.250 -14.249 6.564 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.656 -11.812 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.738 -10.500 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.332 -11.000 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.612 -11.850 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.094 -11.908 9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.941 -13.316 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.218 -13.435 9.048 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.223 -15.102 4.094 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.236 -16.123 3.054 1.00 0.00 C ATOM 1313 C LYS A 82 -5.066 -17.087 3.224 1.00 0.00 C ATOM 1314 O LYS A 82 -5.236 -18.303 3.140 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.176 -15.472 1.670 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.543 -15.161 1.085 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.218 -16.412 0.549 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.454 -16.071 -0.269 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.473 -17.156 -0.212 1.00 0.00 N ATOM 0 H LYS A 82 -6.294 -14.146 3.746 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.165 -16.686 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.600 -14.549 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.641 -16.134 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.172 -14.706 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.439 -14.431 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.514 -16.970 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.497 -17.060 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.890 -15.143 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.167 -15.897 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.300 -16.886 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.065 -18.035 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.766 -17.305 0.775 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.881 -16.536 3.467 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.684 -17.350 3.650 1.00 0.00 C ATOM 1335 C GLU A 83 -2.960 -18.518 4.593 1.00 0.00 C ATOM 1336 O GLU A 83 -2.794 -19.679 4.223 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.540 -16.496 4.198 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.707 -15.826 3.118 1.00 0.00 C ATOM 1339 CD GLU A 83 0.454 -16.687 2.660 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.205 -17.725 2.012 1.00 0.00 O ATOM 1341 OE2 GLU A 83 1.614 -16.322 2.949 1.00 0.00 O ATOM 0 H GLU A 83 -3.724 -15.531 3.542 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.395 -17.751 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.952 -15.730 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.891 -17.123 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.343 -15.596 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.325 -14.877 3.495 1.00 0.00 H new