USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 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 15 LYS NZ :NH3+ 149:sc=-0.000435 (180deg=-0.0195) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.515 USER MOD Single : A 27 TYR OH : rot 75:sc= -1.76! USER MOD Single : A 28 SER OG : rot 44:sc= 0.571 USER MOD Single : A 29 THR OG1 : rot 153:sc= -1.32! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0472 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -36:sc= 1.07 USER MOD Single : A 36 THR OG1 : rot -123:sc= -1.08! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.0017) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.157 USER MOD Single : A 59 THR OG1 : rot -152:sc= 0.602 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -107:sc= -1.73 (180deg=-4.31!) USER MOD Single : A 66 CYS SG : rot 64:sc= -10.8! USER MOD Single : A 68 ASN : amide:sc= -1.89! X(o=-1.9!,f=-2.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.899 USER MOD Single : A 75 TYR OH : rot 100:sc= 1.23 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.281 -10.015 7.694 1.00 0.00 N ATOM 103 CA PHE A 13 4.139 -9.757 6.271 1.00 0.00 C ATOM 104 C PHE A 13 5.186 -10.530 5.467 1.00 0.00 C ATOM 105 O PHE A 13 4.851 -11.219 4.505 1.00 0.00 O ATOM 106 CB PHE A 13 4.359 -8.257 6.064 1.00 0.00 C ATOM 107 CG PHE A 13 5.077 -7.908 4.759 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.436 -7.947 4.699 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.358 -7.558 3.659 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.102 -7.623 3.488 1.00 0.00 C ATOM 111 CE2 PHE A 13 5.025 -7.233 2.449 1.00 0.00 C ATOM 112 CZ PHE A 13 6.383 -7.273 2.389 1.00 0.00 C ATOM 0 HA PHE A 13 3.153 -10.074 5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.393 -7.753 6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.938 -7.866 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.008 -8.224 5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.279 -7.527 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.180 -7.655 3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.454 -6.954 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.890 -7.027 1.468 1.00 0.00 H new ATOM 122 N ARG A 14 6.434 -10.388 5.890 1.00 0.00 N ATOM 123 CA ARG A 14 7.532 -11.065 5.221 1.00 0.00 C ATOM 124 C ARG A 14 7.307 -12.578 5.227 1.00 0.00 C ATOM 125 O ARG A 14 7.637 -13.262 4.259 1.00 0.00 O ATOM 126 CB ARG A 14 8.867 -10.753 5.901 1.00 0.00 C ATOM 127 CG ARG A 14 9.884 -11.868 5.652 1.00 0.00 C ATOM 128 CD ARG A 14 11.313 -11.322 5.667 1.00 0.00 C ATOM 129 NE ARG A 14 11.431 -10.242 6.672 1.00 0.00 N ATOM 130 CZ ARG A 14 12.366 -9.270 6.633 1.00 0.00 C ATOM 131 NH1 ARG A 14 13.275 -9.234 5.635 1.00 0.00 N ATOM 132 NH2 ARG A 14 12.380 -8.355 7.584 1.00 0.00 N ATOM 0 H ARG A 14 6.709 -9.814 6.687 1.00 0.00 H new ATOM 0 HA ARG A 14 7.566 -10.704 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.259 -9.808 5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.713 -10.629 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.778 -12.639 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.682 -12.341 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.015 -12.123 5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.576 -10.942 4.680 1.00 0.00 H new ATOM 0 HE ARG A 14 10.763 -10.232 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.258 -9.945 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.979 -8.496 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.690 -8.389 8.335 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.081 -7.614 7.568 1.00 0.00 H new ATOM 146 N LYS A 15 6.745 -13.056 6.327 1.00 0.00 N ATOM 147 CA LYS A 15 6.471 -14.476 6.471 1.00 0.00 C ATOM 148 C LYS A 15 5.690 -14.966 5.251 1.00 0.00 C ATOM 149 O LYS A 15 6.125 -15.886 4.559 1.00 0.00 O ATOM 150 CB LYS A 15 5.770 -14.754 7.803 1.00 0.00 C ATOM 151 CG LYS A 15 4.481 -13.939 7.924 1.00 0.00 C ATOM 152 CD LYS A 15 3.263 -14.779 7.535 1.00 0.00 C ATOM 153 CE LYS A 15 2.751 -15.589 8.729 1.00 0.00 C ATOM 154 NZ LYS A 15 3.002 -17.033 8.521 1.00 0.00 N ATOM 0 H LYS A 15 6.472 -12.486 7.127 1.00 0.00 H new ATOM 0 HA LYS A 15 7.402 -15.043 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.542 -15.817 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.439 -14.509 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.368 -13.580 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.541 -13.060 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.471 -14.128 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.527 -15.453 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.246 -15.255 9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.683 -15.415 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.158 -17.494 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.180 -17.464 8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.845 -17.156 7.924 1.00 0.00 H new ATOM 168 N LYS A 16 4.549 -14.331 5.024 1.00 0.00 N ATOM 169 CA LYS A 16 3.703 -14.692 3.899 1.00 0.00 C ATOM 170 C LYS A 16 4.223 -14.004 2.635 1.00 0.00 C ATOM 171 O LYS A 16 4.147 -14.565 1.542 1.00 0.00 O ATOM 172 CB LYS A 16 2.238 -14.382 4.210 1.00 0.00 C ATOM 173 CG LYS A 16 1.303 -15.288 3.406 1.00 0.00 C ATOM 174 CD LYS A 16 1.084 -16.622 4.123 1.00 0.00 C ATOM 175 CE LYS A 16 2.195 -17.617 3.781 1.00 0.00 C ATOM 176 NZ LYS A 16 1.669 -19.001 3.780 1.00 0.00 N ATOM 0 H LYS A 16 4.191 -13.569 5.600 1.00 0.00 H new ATOM 0 HA LYS A 16 3.746 -15.766 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.053 -14.516 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.026 -13.338 3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.345 -14.789 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.725 -15.467 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.055 -16.459 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.118 -17.038 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.615 -17.380 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.005 -17.530 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.436 -19.664 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.290 -19.229 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.912 -19.084 3.072 1.00 0.00 H new ATOM 190 N PHE A 17 4.739 -12.798 2.825 1.00 0.00 N ATOM 191 CA PHE A 17 5.270 -12.028 1.713 1.00 0.00 C ATOM 192 C PHE A 17 6.740 -12.371 1.462 1.00 0.00 C ATOM 193 O PHE A 17 7.507 -11.530 0.997 1.00 0.00 O ATOM 194 CB PHE A 17 5.163 -10.552 2.100 1.00 0.00 C ATOM 195 CG PHE A 17 3.740 -9.994 2.036 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.766 -10.522 2.825 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.449 -8.969 1.191 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.445 -10.004 2.765 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.128 -8.451 1.131 1.00 0.00 C ATOM 200 CZ PHE A 17 1.154 -8.979 1.920 1.00 0.00 C ATOM 0 H PHE A 17 4.801 -12.336 3.732 1.00 0.00 H new ATOM 0 HA PHE A 17 4.711 -12.252 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.548 -10.423 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.802 -9.966 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.997 -11.335 3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.223 -8.549 0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.671 -10.424 3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.897 -7.638 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.150 -8.584 1.875 1.00 0.00 H new ATOM 210 N LYS A 18 7.088 -13.610 1.780 1.00 0.00 N ATOM 211 CA LYS A 18 8.452 -14.075 1.594 1.00 0.00 C ATOM 212 C LYS A 18 9.038 -13.433 0.334 1.00 0.00 C ATOM 213 O LYS A 18 10.127 -13.799 -0.104 1.00 0.00 O ATOM 214 CB LYS A 18 8.500 -15.604 1.585 1.00 0.00 C ATOM 215 CG LYS A 18 9.212 -16.137 2.830 1.00 0.00 C ATOM 216 CD LYS A 18 10.705 -15.806 2.793 1.00 0.00 C ATOM 217 CE LYS A 18 11.498 -16.749 3.700 1.00 0.00 C ATOM 218 NZ LYS A 18 12.794 -16.138 4.075 1.00 0.00 N ATOM 0 H LYS A 18 6.449 -14.305 2.165 1.00 0.00 H new ATOM 0 HA LYS A 18 9.078 -13.765 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.487 -16.003 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.017 -15.950 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.762 -15.704 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.077 -17.217 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.073 -15.884 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.861 -14.775 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.921 -16.971 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.670 -17.696 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.320 -16.790 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.350 -15.948 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.624 -15.246 4.582 1.00 0.00 H new ATOM 232 N TYR A 19 8.288 -12.488 -0.213 1.00 0.00 N ATOM 233 CA TYR A 19 8.720 -11.792 -1.413 1.00 0.00 C ATOM 234 C TYR A 19 9.999 -10.993 -1.155 1.00 0.00 C ATOM 235 O TYR A 19 10.028 -10.126 -0.282 1.00 0.00 O ATOM 236 CB TYR A 19 7.590 -10.823 -1.768 1.00 0.00 C ATOM 237 CG TYR A 19 8.073 -9.483 -2.328 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.859 -9.452 -3.461 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.722 -8.306 -1.699 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.313 -8.191 -3.988 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.176 -7.045 -2.226 1.00 0.00 C ATOM 242 CZ TYR A 19 8.949 -7.050 -3.345 1.00 0.00 C ATOM 243 OH TYR A 19 9.378 -5.859 -3.842 1.00 0.00 O ATOM 0 H TYR A 19 7.384 -12.188 0.152 1.00 0.00 H new ATOM 0 HA TYR A 19 8.930 -12.502 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.936 -11.296 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.990 -10.638 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.134 -10.373 -3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.107 -8.330 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.929 -8.153 -4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.909 -6.116 -1.744 1.00 0.00 H new ATOM 0 HH TYR A 19 9.040 -5.130 -3.281 1.00 0.00 H new ATOM 253 N ASP A 20 11.025 -11.314 -1.929 1.00 0.00 N ATOM 254 CA ASP A 20 12.304 -10.637 -1.794 1.00 0.00 C ATOM 255 C ASP A 20 12.420 -9.556 -2.871 1.00 0.00 C ATOM 256 O ASP A 20 12.769 -9.848 -4.013 1.00 0.00 O ATOM 257 CB ASP A 20 13.467 -11.614 -1.979 1.00 0.00 C ATOM 258 CG ASP A 20 13.865 -12.390 -0.722 1.00 0.00 C ATOM 259 OD1 ASP A 20 14.221 -11.718 0.270 1.00 0.00 O ATOM 260 OD2 ASP A 20 13.806 -13.637 -0.782 1.00 0.00 O ATOM 0 H ASP A 20 10.997 -12.033 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 20 12.352 -10.204 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.202 -12.327 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.335 -11.059 -2.335 1.00 0.00 H new ATOM 265 N GLY A 21 12.119 -8.330 -2.468 1.00 0.00 N ATOM 266 CA GLY A 21 12.185 -7.204 -3.383 1.00 0.00 C ATOM 267 C GLY A 21 12.569 -5.919 -2.646 1.00 0.00 C ATOM 268 O GLY A 21 12.958 -5.961 -1.480 1.00 0.00 O ATOM 0 H GLY A 21 11.829 -8.092 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.915 -7.410 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.220 -7.072 -3.873 1.00 0.00 H new ATOM 272 N GLU A 22 12.446 -4.808 -3.357 1.00 0.00 N ATOM 273 CA GLU A 22 12.775 -3.513 -2.784 1.00 0.00 C ATOM 274 C GLU A 22 11.498 -2.759 -2.409 1.00 0.00 C ATOM 275 O GLU A 22 10.924 -2.054 -3.237 1.00 0.00 O ATOM 276 CB GLU A 22 13.635 -2.691 -3.746 1.00 0.00 C ATOM 277 CG GLU A 22 14.085 -1.381 -3.097 1.00 0.00 C ATOM 278 CD GLU A 22 14.397 -0.322 -4.156 1.00 0.00 C ATOM 279 OE1 GLU A 22 13.832 -0.446 -5.265 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.192 0.586 -3.834 1.00 0.00 O ATOM 0 H GLU A 22 12.123 -4.777 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 22 13.357 -3.676 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.508 -3.271 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.069 -2.476 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.304 -1.015 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.969 -1.559 -2.485 1.00 0.00 H new ATOM 287 N ILE A 23 11.092 -2.932 -1.160 1.00 0.00 N ATOM 288 CA ILE A 23 9.893 -2.277 -0.665 1.00 0.00 C ATOM 289 C ILE A 23 10.155 -0.775 -0.537 1.00 0.00 C ATOM 290 O ILE A 23 10.907 -0.344 0.336 1.00 0.00 O ATOM 291 CB ILE A 23 9.422 -2.932 0.635 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.159 -3.764 0.403 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.226 -1.887 1.735 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.931 -4.746 1.554 1.00 0.00 C ATOM 0 H ILE A 23 11.572 -3.516 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 23 9.072 -2.400 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 23 10.200 -3.616 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.297 -3.104 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.247 -4.312 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.891 -2.379 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.170 -1.376 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.477 -1.161 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.027 -5.325 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.784 -5.420 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.819 -4.193 2.487 1.00 0.00 H new ATOM 306 N ARG A 24 9.520 -0.018 -1.421 1.00 0.00 N ATOM 307 CA ARG A 24 9.675 1.426 -1.418 1.00 0.00 C ATOM 308 C ARG A 24 8.429 2.095 -2.002 1.00 0.00 C ATOM 309 O ARG A 24 8.116 1.913 -3.177 1.00 0.00 O ATOM 310 CB ARG A 24 10.901 1.851 -2.229 1.00 0.00 C ATOM 311 CG ARG A 24 11.015 3.375 -2.292 1.00 0.00 C ATOM 312 CD ARG A 24 11.485 3.946 -0.952 1.00 0.00 C ATOM 313 NE ARG A 24 11.842 5.373 -1.107 1.00 0.00 N ATOM 314 CZ ARG A 24 10.948 6.384 -1.083 1.00 0.00 C ATOM 315 NH1 ARG A 24 9.633 6.132 -0.910 1.00 0.00 N ATOM 316 NH2 ARG A 24 11.379 7.623 -1.232 1.00 0.00 N ATOM 0 H ARG A 24 8.897 -0.379 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 24 9.811 1.742 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.802 1.434 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.832 1.446 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.715 3.659 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.049 3.805 -2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.698 3.839 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.346 3.384 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 24 12.826 5.608 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.308 5.172 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.964 6.902 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.374 7.805 -1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.717 8.399 -1.216 1.00 0.00 H new ATOM 330 N VAL A 25 7.751 2.855 -1.154 1.00 0.00 N ATOM 331 CA VAL A 25 6.546 3.551 -1.571 1.00 0.00 C ATOM 332 C VAL A 25 6.910 4.613 -2.610 1.00 0.00 C ATOM 333 O VAL A 25 7.363 5.702 -2.258 1.00 0.00 O ATOM 334 CB VAL A 25 5.827 4.130 -0.351 1.00 0.00 C ATOM 335 CG1 VAL A 25 4.494 4.765 -0.751 1.00 0.00 C ATOM 336 CG2 VAL A 25 5.625 3.061 0.725 1.00 0.00 C ATOM 0 H VAL A 25 8.014 3.004 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 25 5.849 2.859 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 25 6.458 4.913 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.003 5.169 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.674 5.569 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.854 4.010 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.112 3.499 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.025 2.246 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.594 2.675 1.041 1.00 0.00 H new ATOM 346 N LEU A 26 6.699 4.260 -3.870 1.00 0.00 N ATOM 347 CA LEU A 26 7.000 5.170 -4.962 1.00 0.00 C ATOM 348 C LEU A 26 5.751 5.988 -5.297 1.00 0.00 C ATOM 349 O LEU A 26 5.820 7.211 -5.415 1.00 0.00 O ATOM 350 CB LEU A 26 7.569 4.402 -6.157 1.00 0.00 C ATOM 351 CG LEU A 26 8.546 5.174 -7.046 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.484 4.676 -8.491 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.302 6.681 -6.949 1.00 0.00 C ATOM 0 H LEU A 26 6.323 3.357 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 26 7.776 5.877 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.074 3.511 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.738 4.062 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 26 9.557 4.987 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.188 5.242 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.744 3.618 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.475 4.813 -8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.010 7.206 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.285 6.906 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.437 7.006 -5.917 1.00 0.00 H new ATOM 365 N TYR A 27 4.639 5.282 -5.439 1.00 0.00 N ATOM 366 CA TYR A 27 3.378 5.928 -5.757 1.00 0.00 C ATOM 367 C TYR A 27 2.282 5.505 -4.775 1.00 0.00 C ATOM 368 O TYR A 27 1.553 4.548 -5.029 1.00 0.00 O ATOM 369 CB TYR A 27 3.001 5.449 -7.160 1.00 0.00 C ATOM 370 CG TYR A 27 2.653 3.961 -7.238 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.659 3.016 -7.228 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.334 3.564 -7.318 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.332 1.616 -7.300 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.007 2.164 -7.390 1.00 0.00 C ATOM 375 CZ TYR A 27 2.022 1.259 -7.378 1.00 0.00 C ATOM 376 OH TYR A 27 1.713 -0.064 -7.447 1.00 0.00 O ATOM 0 H TYR A 27 4.586 4.268 -5.340 1.00 0.00 H new ATOM 0 HA TYR A 27 3.476 7.012 -5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.149 6.030 -7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.830 5.654 -7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.691 3.327 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.547 4.304 -7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.109 0.866 -7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.021 1.840 -7.452 1.00 0.00 H new ATOM 0 HH TYR A 27 1.829 -0.474 -6.564 1.00 0.00 H new ATOM 386 N SER A 28 2.202 6.240 -3.676 1.00 0.00 N ATOM 387 CA SER A 28 1.209 5.953 -2.655 1.00 0.00 C ATOM 388 C SER A 28 -0.182 6.353 -3.152 1.00 0.00 C ATOM 389 O SER A 28 -0.484 7.539 -3.276 1.00 0.00 O ATOM 390 CB SER A 28 1.535 6.681 -1.349 1.00 0.00 C ATOM 391 OG SER A 28 1.601 8.093 -1.527 1.00 0.00 O ATOM 0 H SER A 28 2.809 7.034 -3.470 1.00 0.00 H new ATOM 0 HA SER A 28 1.223 4.882 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.776 6.445 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.487 6.320 -0.960 1.00 0.00 H new ATOM 0 HG SER A 28 0.853 8.387 -2.088 1.00 0.00 H new ATOM 397 N THR A 29 -0.993 5.340 -3.423 1.00 0.00 N ATOM 398 CA THR A 29 -2.344 5.571 -3.903 1.00 0.00 C ATOM 399 C THR A 29 -3.299 5.784 -2.727 1.00 0.00 C ATOM 400 O THR A 29 -3.000 5.390 -1.601 1.00 0.00 O ATOM 401 CB THR A 29 -2.736 4.394 -4.798 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.721 4.935 -5.673 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.479 3.298 -4.032 1.00 0.00 C ATOM 0 H THR A 29 -0.740 4.357 -3.319 1.00 0.00 H new ATOM 0 HA THR A 29 -2.402 6.483 -4.497 1.00 0.00 H new ATOM 0 HB THR A 29 -1.841 3.973 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.720 4.435 -6.516 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.734 2.487 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.842 2.915 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.391 3.710 -3.601 1.00 0.00 H new ATOM 411 N LYS A 30 -4.429 6.407 -3.029 1.00 0.00 N ATOM 412 CA LYS A 30 -5.430 6.677 -2.011 1.00 0.00 C ATOM 413 C LYS A 30 -6.563 5.657 -2.132 1.00 0.00 C ATOM 414 O LYS A 30 -7.009 5.348 -3.236 1.00 0.00 O ATOM 415 CB LYS A 30 -5.900 8.131 -2.094 1.00 0.00 C ATOM 416 CG LYS A 30 -7.002 8.410 -1.069 1.00 0.00 C ATOM 417 CD LYS A 30 -8.027 9.401 -1.624 1.00 0.00 C ATOM 418 CE LYS A 30 -9.425 8.779 -1.662 1.00 0.00 C ATOM 419 NZ LYS A 30 -10.435 9.796 -2.030 1.00 0.00 N ATOM 0 H LYS A 30 -4.673 6.732 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.001 6.561 -1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.057 8.800 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.270 8.341 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.500 7.478 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.562 8.810 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.041 10.299 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.734 9.709 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.446 7.960 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.667 8.354 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.378 9.357 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.426 10.564 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.212 10.183 -2.969 1.00 0.00 H new ATOM 433 N VAL A 31 -6.997 5.161 -0.982 1.00 0.00 N ATOM 434 CA VAL A 31 -8.069 4.182 -0.946 1.00 0.00 C ATOM 435 C VAL A 31 -9.388 4.862 -1.321 1.00 0.00 C ATOM 436 O VAL A 31 -9.805 5.818 -0.668 1.00 0.00 O ATOM 437 CB VAL A 31 -8.114 3.506 0.426 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.727 2.107 0.327 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.721 3.451 1.056 1.00 0.00 C ATOM 0 H VAL A 31 -6.625 5.420 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.891 3.393 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.751 4.106 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.747 1.648 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.743 2.182 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.127 1.494 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.781 2.966 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.051 2.884 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.337 4.464 1.178 1.00 0.00 H new ATOM 449 N THR A 32 -10.007 4.343 -2.371 1.00 0.00 N ATOM 450 CA THR A 32 -11.269 4.888 -2.840 1.00 0.00 C ATOM 451 C THR A 32 -12.413 4.451 -1.923 1.00 0.00 C ATOM 452 O THR A 32 -12.195 3.717 -0.960 1.00 0.00 O ATOM 453 CB THR A 32 -11.459 4.457 -4.296 1.00 0.00 C ATOM 454 OG1 THR A 32 -12.545 5.255 -4.756 1.00 0.00 O ATOM 455 CG2 THR A 32 -11.973 3.021 -4.419 1.00 0.00 C ATOM 0 H THR A 32 -9.658 3.551 -2.910 1.00 0.00 H new ATOM 0 HA THR A 32 -11.265 5.977 -2.806 1.00 0.00 H new ATOM 0 HB THR A 32 -10.512 4.551 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.734 5.041 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.090 2.766 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.260 2.338 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.936 2.935 -3.915 1.00 0.00 H new ATOM 463 N THR A 33 -13.607 4.919 -2.255 1.00 0.00 N ATOM 464 CA THR A 33 -14.786 4.586 -1.473 1.00 0.00 C ATOM 465 C THR A 33 -15.301 3.196 -1.851 1.00 0.00 C ATOM 466 O THR A 33 -16.053 2.582 -1.096 1.00 0.00 O ATOM 467 CB THR A 33 -15.820 5.694 -1.680 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.877 5.354 -0.787 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.469 5.638 -3.064 1.00 0.00 C ATOM 0 H THR A 33 -13.784 5.526 -3.055 1.00 0.00 H new ATOM 0 HA THR A 33 -14.553 4.534 -0.409 1.00 0.00 H new ATOM 0 HB THR A 33 -15.344 6.665 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.591 6.022 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.195 6.446 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.702 5.748 -3.830 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.974 4.680 -3.191 1.00 0.00 H new ATOM 477 N SER A 34 -14.875 2.740 -3.020 1.00 0.00 N ATOM 478 CA SER A 34 -15.283 1.434 -3.508 1.00 0.00 C ATOM 479 C SER A 34 -14.255 0.377 -3.099 1.00 0.00 C ATOM 480 O SER A 34 -14.272 -0.741 -3.611 1.00 0.00 O ATOM 481 CB SER A 34 -15.459 1.443 -5.028 1.00 0.00 C ATOM 482 OG SER A 34 -15.848 0.167 -5.529 1.00 0.00 O ATOM 0 H SER A 34 -14.251 3.252 -3.643 1.00 0.00 H new ATOM 0 HA SER A 34 -16.246 1.188 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.210 2.184 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.525 1.748 -5.499 1.00 0.00 H new ATOM 0 HG SER A 34 -15.398 -0.537 -5.017 1.00 0.00 H new ATOM 488 N ILE A 35 -13.385 0.769 -2.181 1.00 0.00 N ATOM 489 CA ILE A 35 -12.351 -0.130 -1.697 1.00 0.00 C ATOM 490 C ILE A 35 -12.992 -1.220 -0.836 1.00 0.00 C ATOM 491 O ILE A 35 -14.179 -1.150 -0.521 1.00 0.00 O ATOM 492 CB ILE A 35 -11.251 0.654 -0.979 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.875 0.331 -1.564 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.303 0.413 0.531 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.091 -0.602 -0.639 1.00 0.00 C ATOM 0 H ILE A 35 -13.374 1.698 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.860 -0.630 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.428 1.717 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.992 -0.135 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.315 1.254 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.511 0.982 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.270 0.734 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.165 -0.649 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.117 -0.816 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.955 -0.123 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.642 -1.533 -0.509 1.00 0.00 H new ATOM 507 N THR A 36 -12.177 -2.203 -0.478 1.00 0.00 N ATOM 508 CA THR A 36 -12.650 -3.306 0.340 1.00 0.00 C ATOM 509 C THR A 36 -12.915 -2.833 1.771 1.00 0.00 C ATOM 510 O THR A 36 -12.001 -2.380 2.458 1.00 0.00 O ATOM 511 CB THR A 36 -11.620 -4.434 0.254 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.013 -5.343 1.279 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.220 -3.982 0.674 1.00 0.00 C ATOM 0 H THR A 36 -11.193 -2.258 -0.740 1.00 0.00 H new ATOM 0 HA THR A 36 -13.603 -3.688 -0.025 1.00 0.00 H new ATOM 0 HB THR A 36 -11.587 -4.818 -0.766 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.268 -5.476 1.902 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.528 -4.820 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.888 -3.174 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.246 -3.629 1.705 1.00 0.00 H new ATOM 521 N SER A 37 -14.170 -2.955 2.178 1.00 0.00 N ATOM 522 CA SER A 37 -14.566 -2.546 3.514 1.00 0.00 C ATOM 523 C SER A 37 -15.112 -3.747 4.289 1.00 0.00 C ATOM 524 O SER A 37 -15.032 -3.787 5.516 1.00 0.00 O ATOM 525 CB SER A 37 -15.611 -1.429 3.461 1.00 0.00 C ATOM 526 OG SER A 37 -16.813 -1.790 4.137 1.00 0.00 O ATOM 0 H SER A 37 -14.926 -3.331 1.606 1.00 0.00 H new ATOM 0 HA SER A 37 -13.686 -2.160 4.028 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.199 -0.526 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.837 -1.193 2.421 1.00 0.00 H new ATOM 0 HG SER A 37 -17.454 -1.051 4.082 1.00 0.00 H new ATOM 532 N LYS A 38 -15.654 -4.696 3.541 1.00 0.00 N ATOM 533 CA LYS A 38 -16.213 -5.895 4.142 1.00 0.00 C ATOM 534 C LYS A 38 -15.252 -7.066 3.924 1.00 0.00 C ATOM 535 O LYS A 38 -14.938 -7.798 4.861 1.00 0.00 O ATOM 536 CB LYS A 38 -17.625 -6.153 3.612 1.00 0.00 C ATOM 537 CG LYS A 38 -17.590 -7.047 2.371 1.00 0.00 C ATOM 538 CD LYS A 38 -19.005 -7.424 1.928 1.00 0.00 C ATOM 539 CE LYS A 38 -19.254 -7.009 0.476 1.00 0.00 C ATOM 540 NZ LYS A 38 -20.330 -7.831 -0.121 1.00 0.00 N ATOM 0 H LYS A 38 -15.718 -4.659 2.524 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.320 -5.765 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.228 -6.625 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.105 -5.205 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.077 -6.530 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.019 -7.950 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.148 -8.500 2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.734 -6.941 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.528 -5.955 0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.338 -7.123 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.486 -7.536 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.054 -8.833 -0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.207 -7.702 0.422 1.00 0.00 H new ATOM 554 N LYS A 39 -14.812 -7.205 2.682 1.00 0.00 N ATOM 555 CA LYS A 39 -13.892 -8.273 2.330 1.00 0.00 C ATOM 556 C LYS A 39 -12.541 -8.020 3.001 1.00 0.00 C ATOM 557 O LYS A 39 -11.946 -6.959 2.825 1.00 0.00 O ATOM 558 CB LYS A 39 -13.805 -8.425 0.810 1.00 0.00 C ATOM 559 CG LYS A 39 -13.884 -9.897 0.400 1.00 0.00 C ATOM 560 CD LYS A 39 -15.327 -10.306 0.101 1.00 0.00 C ATOM 561 CE LYS A 39 -15.845 -9.610 -1.159 1.00 0.00 C ATOM 562 NZ LYS A 39 -16.098 -10.599 -2.231 1.00 0.00 N ATOM 0 H LYS A 39 -15.075 -6.596 1.907 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.258 -9.229 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.615 -7.869 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.871 -7.994 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.264 -10.067 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.483 -10.522 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.383 -11.387 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.964 -10.052 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.763 -9.069 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.117 -8.874 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.449 -10.110 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.214 -11.097 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.809 -11.286 -1.909 1.00 0.00 H new ATOM 576 N TRP A 40 -12.096 -9.014 3.756 1.00 0.00 N ATOM 577 CA TRP A 40 -10.827 -8.913 4.455 1.00 0.00 C ATOM 578 C TRP A 40 -10.171 -10.295 4.448 1.00 0.00 C ATOM 579 O TRP A 40 -10.802 -11.287 4.810 1.00 0.00 O ATOM 580 CB TRP A 40 -11.020 -8.350 5.865 1.00 0.00 C ATOM 581 CG TRP A 40 -11.487 -6.893 5.895 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.430 -6.345 6.673 1.00 0.00 C ATOM 583 CD2 TRP A 40 -10.992 -5.814 5.075 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.578 -4.998 6.416 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.675 -4.664 5.413 1.00 0.00 C ATOM 586 CE3 TRP A 40 -9.998 -5.810 4.080 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.440 -3.425 4.805 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.775 -4.564 3.482 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.455 -3.397 3.811 1.00 0.00 C ATOM 0 H TRP A 40 -12.592 -9.894 3.899 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.164 -8.211 3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.748 -8.965 6.394 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.079 -8.430 6.409 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.003 -6.890 7.409 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.230 -4.363 6.877 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.450 -6.698 3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.989 -2.539 5.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.021 -4.505 2.711 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.224 -2.473 3.302 1.00 0.00 H new ATOM 600 N GLY A 41 -8.913 -10.316 4.032 1.00 0.00 N ATOM 601 CA GLY A 41 -8.166 -11.561 3.973 1.00 0.00 C ATOM 602 C GLY A 41 -6.949 -11.514 4.899 1.00 0.00 C ATOM 603 O GLY A 41 -6.494 -10.436 5.278 1.00 0.00 O ATOM 0 H GLY A 41 -8.393 -9.491 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.812 -12.391 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.842 -11.747 2.949 1.00 0.00 H new ATOM 607 N THR A 42 -6.456 -12.696 5.236 1.00 0.00 N ATOM 608 CA THR A 42 -5.300 -12.804 6.110 1.00 0.00 C ATOM 609 C THR A 42 -4.117 -12.027 5.529 1.00 0.00 C ATOM 610 O THR A 42 -3.336 -11.432 6.269 1.00 0.00 O ATOM 611 CB THR A 42 -5.005 -14.290 6.324 1.00 0.00 C ATOM 612 OG1 THR A 42 -4.014 -14.304 7.347 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.308 -14.927 5.121 1.00 0.00 C ATOM 0 H THR A 42 -6.836 -13.588 4.920 1.00 0.00 H new ATOM 0 HA THR A 42 -5.497 -12.354 7.083 1.00 0.00 H new ATOM 0 HB THR A 42 -5.936 -14.819 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.766 -15.230 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.122 -15.981 5.325 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.944 -14.835 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.361 -14.420 4.939 1.00 0.00 H new ATOM 621 N ARG A 43 -4.022 -12.058 4.207 1.00 0.00 N ATOM 622 CA ARG A 43 -2.948 -11.364 3.518 1.00 0.00 C ATOM 623 C ARG A 43 -3.423 -9.990 3.042 1.00 0.00 C ATOM 624 O ARG A 43 -2.705 -9.295 2.324 1.00 0.00 O ATOM 625 CB ARG A 43 -2.455 -12.170 2.315 1.00 0.00 C ATOM 626 CG ARG A 43 -1.127 -12.864 2.626 1.00 0.00 C ATOM 627 CD ARG A 43 -0.415 -13.288 1.340 1.00 0.00 C ATOM 628 NE ARG A 43 -1.262 -14.233 0.580 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.928 -14.752 -0.621 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.241 -14.420 -1.209 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.762 -15.589 -1.211 1.00 0.00 N ATOM 0 H ARG A 43 -4.671 -12.553 3.596 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.125 -11.244 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.203 -12.914 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.332 -11.510 1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.486 -12.191 3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.307 -13.738 3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.196 -12.412 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.540 -13.755 1.581 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.154 -14.510 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.879 -13.773 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.486 -14.816 -2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.643 -15.834 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.525 -15.990 -2.118 1.00 0.00 H new ATOM 645 N ASP A 44 -4.629 -9.638 3.462 1.00 0.00 N ATOM 646 CA ASP A 44 -5.208 -8.359 3.088 1.00 0.00 C ATOM 647 C ASP A 44 -5.133 -7.402 4.280 1.00 0.00 C ATOM 648 O ASP A 44 -4.932 -7.832 5.415 1.00 0.00 O ATOM 649 CB ASP A 44 -6.679 -8.513 2.698 1.00 0.00 C ATOM 650 CG ASP A 44 -7.062 -7.883 1.357 1.00 0.00 C ATOM 651 OD1 ASP A 44 -7.351 -6.667 1.363 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.056 -8.632 0.356 1.00 0.00 O ATOM 0 H ASP A 44 -5.221 -10.216 4.058 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.648 -7.972 2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.921 -9.575 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.295 -8.069 3.480 1.00 0.00 H new ATOM 657 N LEU A 45 -5.300 -6.122 3.982 1.00 0.00 N ATOM 658 CA LEU A 45 -5.254 -5.100 5.014 1.00 0.00 C ATOM 659 C LEU A 45 -6.681 -4.729 5.422 1.00 0.00 C ATOM 660 O LEU A 45 -7.611 -4.862 4.629 1.00 0.00 O ATOM 661 CB LEU A 45 -4.417 -3.907 4.550 1.00 0.00 C ATOM 662 CG LEU A 45 -3.654 -3.157 5.644 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.539 -4.025 6.229 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.125 -1.818 5.124 1.00 0.00 C ATOM 0 H LEU A 45 -5.468 -5.769 3.040 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.756 -5.481 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.699 -4.259 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.076 -3.201 4.045 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.349 -2.936 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.013 -3.468 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.970 -4.928 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.839 -4.298 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.587 -1.305 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.451 -1.994 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.960 -1.200 4.794 1.00 0.00 H new ATOM 676 N GLN A 46 -6.808 -4.273 6.660 1.00 0.00 N ATOM 677 CA GLN A 46 -8.106 -3.882 7.183 1.00 0.00 C ATOM 678 C GLN A 46 -8.383 -2.410 6.869 1.00 0.00 C ATOM 679 O GLN A 46 -9.071 -1.729 7.628 1.00 0.00 O ATOM 680 CB GLN A 46 -8.194 -4.148 8.687 1.00 0.00 C ATOM 681 CG GLN A 46 -9.473 -3.550 9.276 1.00 0.00 C ATOM 682 CD GLN A 46 -9.964 -4.372 10.469 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.025 -3.906 11.595 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.309 -5.619 10.161 1.00 0.00 N ATOM 0 H GLN A 46 -6.034 -4.166 7.315 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.870 -4.487 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.172 -5.222 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.325 -3.721 9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.287 -2.523 9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.248 -3.515 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.234 -5.946 9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.649 -6.248 10.888 1.00 0.00 H new ATOM 693 N VAL A 47 -7.834 -1.963 5.750 1.00 0.00 N ATOM 694 CA VAL A 47 -8.014 -0.584 5.327 1.00 0.00 C ATOM 695 C VAL A 47 -9.493 -0.336 5.028 1.00 0.00 C ATOM 696 O VAL A 47 -10.255 -1.278 4.817 1.00 0.00 O ATOM 697 CB VAL A 47 -7.104 -0.280 4.134 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.640 -0.568 4.474 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.544 -1.063 2.896 1.00 0.00 C ATOM 0 H VAL A 47 -7.264 -2.531 5.123 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.724 0.101 6.124 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.192 0.782 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.015 -0.344 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.333 0.053 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.528 -1.619 4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.881 -0.829 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.499 -2.132 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.566 -0.787 2.635 1.00 0.00 H new ATOM 709 N LYS A 48 -9.856 0.939 5.020 1.00 0.00 N ATOM 710 CA LYS A 48 -11.232 1.323 4.751 1.00 0.00 C ATOM 711 C LYS A 48 -11.290 2.108 3.439 1.00 0.00 C ATOM 712 O LYS A 48 -10.294 2.695 3.018 1.00 0.00 O ATOM 713 CB LYS A 48 -11.820 2.077 5.945 1.00 0.00 C ATOM 714 CG LYS A 48 -10.788 3.025 6.559 1.00 0.00 C ATOM 715 CD LYS A 48 -10.033 2.347 7.704 1.00 0.00 C ATOM 716 CE LYS A 48 -10.942 2.146 8.917 1.00 0.00 C ATOM 717 NZ LYS A 48 -10.144 1.782 10.109 1.00 0.00 N ATOM 0 H LYS A 48 -9.222 1.718 5.195 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.857 0.439 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.695 2.644 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.158 1.365 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.082 3.345 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.287 3.921 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.648 1.384 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.173 2.954 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.503 3.059 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.671 1.363 8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.777 1.649 10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.628 0.898 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.466 2.542 10.318 1.00 0.00 H new ATOM 731 N PRO A 49 -12.497 2.092 2.813 1.00 0.00 N ATOM 732 CA PRO A 49 -12.698 2.795 1.557 1.00 0.00 C ATOM 733 C PRO A 49 -12.797 4.305 1.784 1.00 0.00 C ATOM 734 O PRO A 49 -13.623 4.766 2.571 1.00 0.00 O ATOM 735 CB PRO A 49 -13.967 2.198 0.971 1.00 0.00 C ATOM 736 CG PRO A 49 -14.681 1.519 2.129 1.00 0.00 C ATOM 737 CD PRO A 49 -13.698 1.407 3.282 1.00 0.00 C ATOM 0 HA PRO A 49 -11.862 2.674 0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.593 2.971 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.734 1.483 0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.556 2.096 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.036 0.532 1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.092 1.873 4.185 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.490 0.365 3.525 1.00 0.00 H new ATOM 745 N GLY A 50 -11.942 5.034 1.081 1.00 0.00 N ATOM 746 CA GLY A 50 -11.923 6.482 1.195 1.00 0.00 C ATOM 747 C GLY A 50 -10.771 6.946 2.090 1.00 0.00 C ATOM 748 O GLY A 50 -10.699 8.118 2.457 1.00 0.00 O ATOM 0 H GLY A 50 -11.258 4.648 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.821 6.927 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.871 6.831 1.606 1.00 0.00 H new ATOM 752 N GLU A 51 -9.899 6.003 2.414 1.00 0.00 N ATOM 753 CA GLU A 51 -8.755 6.300 3.259 1.00 0.00 C ATOM 754 C GLU A 51 -7.480 6.380 2.416 1.00 0.00 C ATOM 755 O GLU A 51 -7.495 6.059 1.229 1.00 0.00 O ATOM 756 CB GLU A 51 -8.611 5.261 4.373 1.00 0.00 C ATOM 757 CG GLU A 51 -9.075 5.830 5.716 1.00 0.00 C ATOM 758 CD GLU A 51 -8.086 5.480 6.830 1.00 0.00 C ATOM 759 OE1 GLU A 51 -7.455 4.407 6.713 1.00 0.00 O ATOM 760 OE2 GLU A 51 -7.983 6.294 7.773 1.00 0.00 O ATOM 0 H GLU A 51 -9.962 5.032 2.107 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.918 7.269 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.197 4.375 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.571 4.944 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.176 6.913 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.060 5.434 5.962 1.00 0.00 H new ATOM 767 N SER A 52 -6.407 6.810 3.063 1.00 0.00 N ATOM 768 CA SER A 52 -5.127 6.937 2.389 1.00 0.00 C ATOM 769 C SER A 52 -4.167 5.852 2.880 1.00 0.00 C ATOM 770 O SER A 52 -4.023 5.644 4.083 1.00 0.00 O ATOM 771 CB SER A 52 -4.520 8.323 2.614 1.00 0.00 C ATOM 772 OG SER A 52 -3.650 8.348 3.742 1.00 0.00 O ATOM 0 H SER A 52 -6.398 7.075 4.048 1.00 0.00 H new ATOM 0 HA SER A 52 -5.291 6.812 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.968 8.626 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.319 9.050 2.757 1.00 0.00 H new ATOM 0 HG SER A 52 -3.282 9.250 3.851 1.00 0.00 H new ATOM 778 N LEU A 53 -3.535 5.188 1.923 1.00 0.00 N ATOM 779 CA LEU A 53 -2.593 4.129 2.243 1.00 0.00 C ATOM 780 C LEU A 53 -1.405 4.202 1.282 1.00 0.00 C ATOM 781 O LEU A 53 -1.542 4.671 0.153 1.00 0.00 O ATOM 782 CB LEU A 53 -3.296 2.770 2.248 1.00 0.00 C ATOM 783 CG LEU A 53 -2.967 1.840 1.078 1.00 0.00 C ATOM 784 CD1 LEU A 53 -3.936 0.657 1.028 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.934 2.610 -0.243 1.00 0.00 C ATOM 0 H LEU A 53 -3.657 5.363 0.926 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.198 4.262 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.045 2.257 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.373 2.940 2.259 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.969 1.432 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.680 0.012 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.865 0.089 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.954 1.026 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.698 1.925 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.908 3.066 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.173 3.388 -0.191 1.00 0.00 H new ATOM 797 N GLU A 54 -0.264 3.733 1.766 1.00 0.00 N ATOM 798 CA GLU A 54 0.948 3.739 0.965 1.00 0.00 C ATOM 799 C GLU A 54 0.944 2.564 -0.014 1.00 0.00 C ATOM 800 O GLU A 54 0.613 1.440 0.362 1.00 0.00 O ATOM 801 CB GLU A 54 2.193 3.708 1.854 1.00 0.00 C ATOM 802 CG GLU A 54 2.849 5.088 1.927 1.00 0.00 C ATOM 803 CD GLU A 54 2.207 5.943 3.022 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.146 5.447 4.167 1.00 0.00 O ATOM 805 OE2 GLU A 54 1.790 7.074 2.687 1.00 0.00 O ATOM 0 H GLU A 54 -0.154 3.346 2.703 1.00 0.00 H new ATOM 0 HA GLU A 54 0.975 4.665 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.920 3.378 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.906 2.983 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.915 4.978 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.754 5.591 0.965 1.00 0.00 H new ATOM 812 N VAL A 55 1.315 2.863 -1.250 1.00 0.00 N ATOM 813 CA VAL A 55 1.358 1.845 -2.286 1.00 0.00 C ATOM 814 C VAL A 55 2.814 1.468 -2.564 1.00 0.00 C ATOM 815 O VAL A 55 3.639 2.334 -2.854 1.00 0.00 O ATOM 816 CB VAL A 55 0.618 2.335 -3.532 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.183 1.684 -4.796 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.886 2.083 -3.411 1.00 0.00 C ATOM 0 H VAL A 55 1.589 3.796 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 55 0.846 0.941 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 55 0.772 3.411 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.640 2.049 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.239 1.937 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.074 0.602 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.388 2.441 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.068 1.015 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.275 2.614 -2.542 1.00 0.00 H new ATOM 828 N ILE A 56 3.087 0.175 -2.467 1.00 0.00 N ATOM 829 CA ILE A 56 4.430 -0.327 -2.705 1.00 0.00 C ATOM 830 C ILE A 56 4.571 -0.715 -4.178 1.00 0.00 C ATOM 831 O ILE A 56 4.127 0.017 -5.062 1.00 0.00 O ATOM 832 CB ILE A 56 4.756 -1.464 -1.735 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.408 -1.075 -0.297 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.216 -1.900 -1.874 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.095 -2.006 0.704 1.00 0.00 C ATOM 0 H ILE A 56 2.401 -0.540 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 56 5.168 0.450 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 56 4.137 -2.323 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.714 -0.046 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.328 -1.117 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.422 -2.709 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.397 -2.246 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.870 -1.056 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.831 -1.708 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.768 -3.031 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.176 -1.943 0.577 1.00 0.00 H new ATOM 847 N GLN A 57 5.190 -1.866 -4.397 1.00 0.00 N ATOM 848 CA GLN A 57 5.395 -2.360 -5.748 1.00 0.00 C ATOM 849 C GLN A 57 4.261 -3.307 -6.144 1.00 0.00 C ATOM 850 O GLN A 57 3.633 -3.923 -5.285 1.00 0.00 O ATOM 851 CB GLN A 57 6.755 -3.048 -5.880 1.00 0.00 C ATOM 852 CG GLN A 57 7.456 -2.634 -7.175 1.00 0.00 C ATOM 853 CD GLN A 57 8.688 -1.775 -6.882 1.00 0.00 C ATOM 854 OE1 GLN A 57 8.676 -0.562 -7.012 1.00 0.00 O ATOM 855 NE2 GLN A 57 9.748 -2.469 -6.481 1.00 0.00 N ATOM 0 H GLN A 57 5.556 -2.471 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 57 5.387 -1.510 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.381 -2.791 -5.025 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.622 -4.130 -5.864 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.752 -3.523 -7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.763 -2.078 -7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.690 -3.484 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.620 -1.987 -6.261 1.00 0.00 H new ATOM 864 N THR A 58 4.033 -3.394 -7.447 1.00 0.00 N ATOM 865 CA THR A 58 2.985 -4.256 -7.967 1.00 0.00 C ATOM 866 C THR A 58 3.336 -5.726 -7.727 1.00 0.00 C ATOM 867 O THR A 58 4.370 -6.204 -8.190 1.00 0.00 O ATOM 868 CB THR A 58 2.782 -3.913 -9.444 1.00 0.00 C ATOM 869 OG1 THR A 58 4.099 -3.670 -9.930 1.00 0.00 O ATOM 870 CG2 THR A 58 2.060 -2.578 -9.642 1.00 0.00 C ATOM 0 H THR A 58 4.556 -2.882 -8.157 1.00 0.00 H new ATOM 0 HA THR A 58 2.041 -4.091 -7.447 1.00 0.00 H new ATOM 0 HB THR A 58 2.213 -4.709 -9.925 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.694 -4.391 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.942 -2.383 -10.708 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.078 -2.622 -9.170 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.645 -1.777 -9.189 1.00 0.00 H new ATOM 878 N THR A 59 2.454 -6.401 -7.005 1.00 0.00 N ATOM 879 CA THR A 59 2.657 -7.806 -6.698 1.00 0.00 C ATOM 880 C THR A 59 2.882 -8.606 -7.983 1.00 0.00 C ATOM 881 O THR A 59 4.008 -8.996 -8.286 1.00 0.00 O ATOM 882 CB THR A 59 1.456 -8.291 -5.883 1.00 0.00 C ATOM 883 OG1 THR A 59 1.783 -7.940 -4.541 1.00 0.00 O ATOM 884 CG2 THR A 59 1.346 -9.817 -5.853 1.00 0.00 C ATOM 0 H THR A 59 1.597 -6.001 -6.624 1.00 0.00 H new ATOM 0 HA THR A 59 3.556 -7.954 -6.099 1.00 0.00 H new ATOM 0 HB THR A 59 0.541 -7.870 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.348 -8.565 -3.924 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.478 -10.108 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.235 -10.194 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.247 -10.238 -5.406 1.00 0.00 H new ATOM 892 N ASP A 60 1.792 -8.826 -8.703 1.00 0.00 N ATOM 893 CA ASP A 60 1.856 -9.572 -9.948 1.00 0.00 C ATOM 894 C ASP A 60 1.713 -8.605 -11.125 1.00 0.00 C ATOM 895 O ASP A 60 2.703 -8.060 -11.610 1.00 0.00 O ATOM 896 CB ASP A 60 0.722 -10.595 -10.037 1.00 0.00 C ATOM 897 CG ASP A 60 0.437 -11.125 -11.443 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.213 -11.997 -11.889 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.551 -10.646 -12.041 1.00 0.00 O ATOM 0 H ASP A 60 0.859 -8.501 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 60 2.814 -10.092 -9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.962 -11.438 -9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.188 -10.141 -9.645 1.00 0.00 H new ATOM 904 N ASP A 61 0.472 -8.421 -11.551 1.00 0.00 N ATOM 905 CA ASP A 61 0.186 -7.529 -12.662 1.00 0.00 C ATOM 906 C ASP A 61 -0.697 -6.379 -12.173 1.00 0.00 C ATOM 907 O ASP A 61 -0.331 -5.212 -12.305 1.00 0.00 O ATOM 908 CB ASP A 61 -0.565 -8.260 -13.776 1.00 0.00 C ATOM 909 CG ASP A 61 0.324 -8.996 -14.780 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.348 -8.398 -15.177 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.039 -10.140 -15.128 1.00 0.00 O ATOM 0 H ASP A 61 -0.347 -8.875 -11.147 1.00 0.00 H new ATOM 0 HA ASP A 61 1.135 -7.158 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.247 -8.979 -13.322 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.176 -7.537 -14.316 1.00 0.00 H new ATOM 916 N THR A 62 -1.842 -6.748 -11.618 1.00 0.00 N ATOM 917 CA THR A 62 -2.779 -5.762 -11.109 1.00 0.00 C ATOM 918 C THR A 62 -2.975 -5.940 -9.602 1.00 0.00 C ATOM 919 O THR A 62 -4.048 -6.341 -9.154 1.00 0.00 O ATOM 920 CB THR A 62 -4.077 -5.886 -11.909 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.670 -6.472 -13.142 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.649 -4.526 -12.312 1.00 0.00 C ATOM 0 H THR A 62 -2.142 -7.717 -11.510 1.00 0.00 H new ATOM 0 HA THR A 62 -2.396 -4.750 -11.238 1.00 0.00 H new ATOM 0 HB THR A 62 -4.816 -6.429 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.451 -6.590 -13.722 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.570 -4.671 -12.877 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.861 -3.941 -11.417 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.924 -3.995 -12.929 1.00 0.00 H new ATOM 930 N LYS A 63 -1.920 -5.634 -8.860 1.00 0.00 N ATOM 931 CA LYS A 63 -1.962 -5.756 -7.413 1.00 0.00 C ATOM 932 C LYS A 63 -0.933 -4.807 -6.796 1.00 0.00 C ATOM 933 O LYS A 63 0.229 -4.796 -7.201 1.00 0.00 O ATOM 934 CB LYS A 63 -1.782 -7.216 -6.992 1.00 0.00 C ATOM 935 CG LYS A 63 -1.632 -7.335 -5.474 1.00 0.00 C ATOM 936 CD LYS A 63 -2.996 -7.298 -4.783 1.00 0.00 C ATOM 937 CE LYS A 63 -3.485 -8.712 -4.460 1.00 0.00 C ATOM 938 NZ LYS A 63 -4.002 -8.777 -3.075 1.00 0.00 N ATOM 0 H LYS A 63 -1.031 -5.302 -9.234 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.940 -5.458 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.639 -7.802 -7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.902 -7.633 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.121 -8.266 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.010 -6.521 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.927 -6.715 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.720 -6.797 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.268 -9.001 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.668 -9.423 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.328 -9.296 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.124 -7.813 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.919 -9.268 -3.069 1.00 0.00 H new ATOM 952 N VAL A 64 -1.396 -4.033 -5.825 1.00 0.00 N ATOM 953 CA VAL A 64 -0.530 -3.082 -5.148 1.00 0.00 C ATOM 954 C VAL A 64 -0.469 -3.426 -3.659 1.00 0.00 C ATOM 955 O VAL A 64 -1.503 -3.602 -3.016 1.00 0.00 O ATOM 956 CB VAL A 64 -1.012 -1.655 -5.413 1.00 0.00 C ATOM 957 CG1 VAL A 64 -0.937 -1.318 -6.904 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.428 -1.445 -4.874 1.00 0.00 C ATOM 0 H VAL A 64 -2.360 -4.045 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 64 0.486 -3.145 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.347 -0.974 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.285 -0.298 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.094 -1.407 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.566 -2.009 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.746 -0.422 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.110 -2.140 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.438 -1.623 -3.799 1.00 0.00 H new ATOM 968 N LEU A 65 0.753 -3.512 -3.153 1.00 0.00 N ATOM 969 CA LEU A 65 0.962 -3.832 -1.751 1.00 0.00 C ATOM 970 C LEU A 65 0.923 -2.543 -0.928 1.00 0.00 C ATOM 971 O LEU A 65 1.669 -1.604 -1.203 1.00 0.00 O ATOM 972 CB LEU A 65 2.250 -4.638 -1.572 1.00 0.00 C ATOM 973 CG LEU A 65 3.071 -4.320 -0.321 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.292 -4.664 0.949 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.432 -5.019 -0.367 1.00 0.00 C ATOM 0 H LEU A 65 1.608 -3.366 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 65 0.160 -4.471 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.993 -5.697 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.880 -4.477 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 65 3.260 -3.247 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.899 -4.428 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.371 -4.083 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.051 -5.727 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.996 -4.777 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.285 -6.098 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.985 -4.681 -1.243 1.00 0.00 H new ATOM 987 N CYS A 66 0.047 -2.539 0.066 1.00 0.00 N ATOM 988 CA CYS A 66 -0.098 -1.381 0.931 1.00 0.00 C ATOM 989 C CYS A 66 0.864 -1.539 2.110 1.00 0.00 C ATOM 990 O CYS A 66 1.290 -2.649 2.424 1.00 0.00 O ATOM 991 CB CYS A 66 -1.545 -1.200 1.395 1.00 0.00 C ATOM 992 SG CYS A 66 -1.579 -0.392 3.037 1.00 0.00 S ATOM 0 H CYS A 66 -0.570 -3.320 0.291 1.00 0.00 H new ATOM 0 HA CYS A 66 0.153 -0.476 0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.095 -0.597 0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.043 -2.168 1.447 1.00 0.00 H new ATOM 0 HG CYS A 66 -1.081 0.805 2.942 1.00 0.00 H new ATOM 998 N ARG A 67 1.178 -0.411 2.731 1.00 0.00 N ATOM 999 CA ARG A 67 2.082 -0.410 3.869 1.00 0.00 C ATOM 1000 C ARG A 67 1.516 0.457 4.996 1.00 0.00 C ATOM 1001 O ARG A 67 0.885 1.480 4.739 1.00 0.00 O ATOM 1002 CB ARG A 67 3.463 0.116 3.474 1.00 0.00 C ATOM 1003 CG ARG A 67 4.567 -0.605 4.251 1.00 0.00 C ATOM 1004 CD ARG A 67 5.936 0.013 3.960 1.00 0.00 C ATOM 1005 NE ARG A 67 6.102 0.211 2.503 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.223 0.697 1.928 1.00 0.00 C ATOM 1007 NH1 ARG A 67 8.287 1.040 2.684 1.00 0.00 N ATOM 1008 NH2 ARG A 67 7.262 0.832 0.615 1.00 0.00 N ATOM 0 H ARG A 67 0.823 0.508 2.468 1.00 0.00 H new ATOM 0 HA ARG A 67 2.183 -1.439 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.617 -0.023 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.517 1.187 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.359 -0.551 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.576 -1.661 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.031 0.967 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.725 -0.636 4.340 1.00 0.00 H new ATOM 0 HE ARG A 67 5.321 -0.035 1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.248 0.933 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.130 1.406 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.453 0.571 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.101 1.198 0.165 1.00 0.00 H new ATOM 1022 N ASN A 68 1.763 0.015 6.220 1.00 0.00 N ATOM 1023 CA ASN A 68 1.286 0.738 7.387 1.00 0.00 C ATOM 1024 C ASN A 68 2.483 1.178 8.233 1.00 0.00 C ATOM 1025 O ASN A 68 3.361 0.373 8.539 1.00 0.00 O ATOM 1026 CB ASN A 68 0.393 -0.149 8.257 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.330 0.678 9.322 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -0.448 1.889 9.230 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -0.804 -0.041 10.335 1.00 0.00 N ATOM 0 H ASN A 68 2.287 -0.835 6.429 1.00 0.00 H new ATOM 0 HA ASN A 68 0.713 1.598 7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.338 -0.661 7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.997 -0.919 8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.302 0.418 11.098 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.670 -1.052 10.349 1.00 0.00 H new ATOM 1036 N GLU A 69 2.479 2.455 8.586 1.00 0.00 N ATOM 1037 CA GLU A 69 3.553 3.012 9.391 1.00 0.00 C ATOM 1038 C GLU A 69 3.736 2.195 10.671 1.00 0.00 C ATOM 1039 O GLU A 69 4.765 2.299 11.337 1.00 0.00 O ATOM 1040 CB GLU A 69 3.290 4.484 9.712 1.00 0.00 C ATOM 1041 CG GLU A 69 3.779 5.389 8.579 1.00 0.00 C ATOM 1042 CD GLU A 69 5.083 6.091 8.962 1.00 0.00 C ATOM 1043 OE1 GLU A 69 6.107 5.379 9.050 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.028 7.324 9.158 1.00 0.00 O ATOM 0 H GLU A 69 1.749 3.120 8.329 1.00 0.00 H new ATOM 0 HA GLU A 69 4.477 2.959 8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.223 4.640 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.794 4.753 10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.932 4.797 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.016 6.132 8.347 1.00 0.00 H new ATOM 1051 N GLU A 70 2.721 1.400 10.978 1.00 0.00 N ATOM 1052 CA GLU A 70 2.757 0.565 12.167 1.00 0.00 C ATOM 1053 C GLU A 70 3.748 -0.585 11.978 1.00 0.00 C ATOM 1054 O GLU A 70 4.002 -1.349 12.909 1.00 0.00 O ATOM 1055 CB GLU A 70 1.362 0.037 12.508 1.00 0.00 C ATOM 1056 CG GLU A 70 1.393 -0.808 13.783 1.00 0.00 C ATOM 1057 CD GLU A 70 -0.013 -0.973 14.365 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.821 -1.666 13.710 1.00 0.00 O ATOM 1059 OE2 GLU A 70 -0.247 -0.402 15.452 1.00 0.00 O ATOM 0 H GLU A 70 1.869 1.317 10.424 1.00 0.00 H new ATOM 0 HA GLU A 70 3.094 1.174 13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.674 0.873 12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.983 -0.562 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.817 -1.788 13.564 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.043 -0.337 14.520 1.00 0.00 H new ATOM 1066 N GLY A 71 4.281 -0.672 10.769 1.00 0.00 N ATOM 1067 CA GLY A 71 5.239 -1.716 10.447 1.00 0.00 C ATOM 1068 C GLY A 71 4.528 -2.983 9.968 1.00 0.00 C ATOM 1069 O GLY A 71 5.130 -4.055 9.916 1.00 0.00 O ATOM 0 H GLY A 71 4.068 -0.037 10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.921 -1.363 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.843 -1.944 11.325 1.00 0.00 H new ATOM 1073 N LYS A 72 3.258 -2.819 9.629 1.00 0.00 N ATOM 1074 CA LYS A 72 2.459 -3.936 9.156 1.00 0.00 C ATOM 1075 C LYS A 72 2.015 -3.666 7.717 1.00 0.00 C ATOM 1076 O LYS A 72 1.385 -2.647 7.439 1.00 0.00 O ATOM 1077 CB LYS A 72 1.300 -4.211 10.116 1.00 0.00 C ATOM 1078 CG LYS A 72 0.351 -5.265 9.543 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.990 -5.255 10.281 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.642 -3.873 10.215 1.00 0.00 C ATOM 1081 NZ LYS A 72 -3.114 -3.989 10.312 1.00 0.00 N ATOM 0 H LYS A 72 2.762 -1.929 9.673 1.00 0.00 H new ATOM 0 HA LYS A 72 3.053 -4.850 9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.691 -4.551 11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.752 -3.288 10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.188 -5.074 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.807 -6.252 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.657 -5.997 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.838 -5.540 11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.266 -3.248 11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.371 -3.381 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.541 -3.042 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.469 -4.568 9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.368 -4.439 11.214 1.00 0.00 H new ATOM 1095 N TYR A 73 2.360 -4.598 6.841 1.00 0.00 N ATOM 1096 CA TYR A 73 2.004 -4.474 5.437 1.00 0.00 C ATOM 1097 C TYR A 73 0.713 -5.234 5.129 1.00 0.00 C ATOM 1098 O TYR A 73 0.259 -6.046 5.934 1.00 0.00 O ATOM 1099 CB TYR A 73 3.155 -5.108 4.653 1.00 0.00 C ATOM 1100 CG TYR A 73 4.471 -4.333 4.742 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.076 -4.140 5.968 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.052 -3.826 3.598 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.315 -3.411 6.052 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.291 -3.096 3.683 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.861 -2.925 4.905 1.00 0.00 C ATOM 1106 OH TYR A 73 8.031 -2.236 4.985 1.00 0.00 O ATOM 0 H TYR A 73 2.882 -5.442 7.076 1.00 0.00 H new ATOM 0 HA TYR A 73 1.844 -3.429 5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.317 -6.121 5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.865 -5.192 3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.620 -4.536 6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.578 -3.976 2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.800 -3.254 7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.757 -2.694 2.796 1.00 0.00 H new ATOM 0 HH TYR A 73 8.783 -2.858 4.896 1.00 0.00 H new ATOM 1116 N GLY A 74 0.157 -4.944 3.962 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.074 -5.590 3.538 1.00 0.00 C ATOM 1118 C GLY A 74 -1.214 -5.555 2.015 1.00 0.00 C ATOM 1119 O GLY A 74 -0.599 -4.723 1.350 1.00 0.00 O ATOM 0 H GLY A 74 0.536 -4.270 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.085 -6.623 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.928 -5.091 3.997 1.00 0.00 H new ATOM 1123 N TYR A 75 -2.028 -6.469 1.506 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.257 -6.553 0.074 1.00 0.00 C ATOM 1125 C TYR A 75 -3.628 -5.983 -0.296 1.00 0.00 C ATOM 1126 O TYR A 75 -4.553 -6.005 0.515 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.227 -8.043 -0.271 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.833 -8.576 -0.606 1.00 0.00 C ATOM 1129 CD1 TYR A 75 -0.003 -7.860 -1.445 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.404 -9.773 -0.070 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.309 -8.361 -1.761 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.908 -10.275 -0.385 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.700 -9.544 -1.215 1.00 0.00 C ATOM 1134 OH TYR A 75 2.940 -10.018 -1.513 1.00 0.00 O ATOM 0 H TYR A 75 -2.537 -7.158 2.060 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.504 -5.983 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.628 -8.608 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.887 -8.222 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.338 -6.923 -1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.053 -10.334 0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.968 -7.810 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.255 -11.210 0.028 1.00 0.00 H new ATOM 0 HH TYR A 75 3.555 -9.809 -0.779 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.716 -5.487 -1.521 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.959 -4.912 -2.009 1.00 0.00 C ATOM 1146 C VAL A 76 -5.135 -5.269 -3.486 1.00 0.00 C ATOM 1147 O VAL A 76 -4.252 -5.007 -4.301 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.975 -3.404 -1.751 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.406 -2.862 -1.755 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.262 -3.064 -0.441 1.00 0.00 C ATOM 0 H VAL A 76 -2.947 -5.471 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.810 -5.328 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.432 -2.919 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.389 -1.788 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.866 -3.055 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.984 -3.356 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.288 -1.986 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.763 -3.565 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.226 -3.398 -0.493 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.282 -5.860 -3.786 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.586 -6.255 -5.151 1.00 0.00 C ATOM 1162 C LEU A 77 -7.025 -5.025 -5.948 1.00 0.00 C ATOM 1163 O LEU A 77 -7.724 -4.159 -5.424 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.608 -7.394 -5.165 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.386 -8.482 -6.218 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.675 -9.264 -6.477 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.807 -7.889 -7.504 1.00 0.00 C ATOM 0 H LEU A 77 -7.012 -6.075 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.696 -6.651 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.612 -7.864 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.598 -6.965 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.653 -9.189 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.490 -10.031 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.007 -9.735 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.448 -8.584 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.659 -8.683 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.498 -7.149 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.851 -7.413 -7.287 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.597 -4.987 -7.201 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.938 -3.878 -8.075 1.00 0.00 C ATOM 1181 C ARG A 78 -8.457 -3.730 -8.177 1.00 0.00 C ATOM 1182 O ARG A 78 -8.958 -2.666 -8.539 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.357 -4.082 -9.476 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.188 -5.089 -10.273 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.882 -4.413 -11.456 1.00 0.00 C ATOM 1186 NE ARG A 78 -8.759 -3.323 -10.973 1.00 0.00 N ATOM 1187 CZ ARG A 78 -8.423 -2.016 -10.991 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -7.223 -1.624 -11.470 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -9.285 -1.127 -10.534 1.00 0.00 N ATOM 0 H ARG A 78 -6.017 -5.707 -7.632 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.510 -2.973 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.329 -3.129 -10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.328 -4.434 -9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.545 -5.891 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.933 -5.546 -9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.138 -4.014 -12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.469 -5.145 -12.010 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.675 -3.576 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.563 -2.318 -11.822 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.977 -0.634 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.190 -1.432 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.047 -0.135 -10.541 1.00 0.00 H new ATOM 1203 N SER A 79 -9.149 -4.812 -7.852 1.00 0.00 N ATOM 1204 CA SER A 79 -10.601 -4.816 -7.903 1.00 0.00 C ATOM 1205 C SER A 79 -11.154 -3.609 -7.141 1.00 0.00 C ATOM 1206 O SER A 79 -11.847 -2.772 -7.717 1.00 0.00 O ATOM 1207 CB SER A 79 -11.169 -6.114 -7.325 1.00 0.00 C ATOM 1208 OG SER A 79 -12.264 -6.605 -8.093 1.00 0.00 O ATOM 0 H SER A 79 -8.731 -5.693 -7.552 1.00 0.00 H new ATOM 0 HA SER A 79 -10.907 -4.751 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.384 -6.869 -7.289 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.494 -5.943 -6.299 1.00 0.00 H new ATOM 0 HG SER A 79 -12.598 -7.435 -7.693 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.828 -3.559 -5.858 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.283 -2.469 -5.012 1.00 0.00 C ATOM 1216 C TYR A 80 -10.101 -1.652 -4.487 1.00 0.00 C ATOM 1217 O TYR A 80 -9.632 -1.877 -3.373 1.00 0.00 O ATOM 1218 CB TYR A 80 -12.000 -3.124 -3.830 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.220 -4.274 -3.189 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.226 -4.006 -2.269 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.509 -5.579 -3.531 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.492 -5.088 -1.666 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.775 -6.662 -2.928 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.803 -6.362 -2.025 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.110 -7.384 -1.456 1.00 0.00 O ATOM 0 H TYR A 80 -10.254 -4.256 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.930 -1.793 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.197 -2.366 -3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.967 -3.498 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.999 -2.985 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.286 -5.789 -4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.712 -4.892 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.991 -7.688 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 80 -9.440 -8.238 -1.806 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.655 -0.718 -5.315 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.537 0.134 -4.949 1.00 0.00 C ATOM 1237 C LEU A 81 -8.466 1.319 -5.915 1.00 0.00 C ATOM 1238 O LEU A 81 -9.235 1.390 -6.872 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.243 -0.680 -4.878 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.014 -0.044 -5.530 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.273 0.859 -4.541 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.097 -1.112 -6.129 1.00 0.00 C ATOM 0 H LEU A 81 -10.048 -0.533 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.683 0.545 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.015 -0.872 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.419 -1.647 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.352 0.588 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.404 1.298 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.939 1.653 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.948 0.270 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.231 -0.633 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.764 -1.789 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.642 -1.676 -6.886 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.536 2.219 -5.630 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.355 3.396 -6.461 1.00 0.00 C ATOM 1256 C ALA A 82 -6.571 3.012 -7.718 1.00 0.00 C ATOM 1257 O ALA A 82 -6.092 1.885 -7.835 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.658 4.491 -5.651 1.00 0.00 C ATOM 0 H ALA A 82 -6.900 2.156 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.319 3.791 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.522 5.374 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.269 4.748 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.686 4.131 -5.314 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.464 3.971 -8.626 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.746 3.747 -9.869 1.00 0.00 C ATOM 1266 C ASP A 83 -4.309 3.327 -9.555 1.00 0.00 C ATOM 1267 O ASP A 83 -3.875 3.397 -8.406 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.691 5.024 -10.711 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.719 5.097 -11.843 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.894 5.381 -11.525 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -6.306 4.866 -13.000 1.00 0.00 O ATOM 0 H ASP A 83 -6.862 4.905 -8.526 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.270 2.970 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.835 5.881 -10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.693 5.116 -11.140 1.00 0.00 H new