USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 MET CE :methyl -176:sc= 0 (180deg=-0.0142) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.197) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.113 USER MOD Single : A 19 TYR OH : rot -162:sc= 0.201 USER MOD Single : A 35 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.15) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -68:sc= 1.26 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 117 N ALA A 10 16.500 2.390 -7.147 1.00 54.43 N ATOM 118 CA ALA A 10 17.155 3.099 -8.251 1.00 30.51 C ATOM 119 C ALA A 10 17.704 2.171 -9.345 1.00 43.52 C ATOM 120 O ALA A 10 17.644 2.499 -10.521 1.00 44.21 O ATOM 121 CB ALA A 10 18.278 3.975 -7.699 1.00 44.45 C ATOM 0 HA ALA A 10 16.388 3.709 -8.728 1.00 30.51 H new ATOM 0 HB1 ALA A 10 18.765 4.502 -8.519 1.00 44.45 H new ATOM 0 HB2 ALA A 10 17.863 4.699 -6.998 1.00 44.45 H new ATOM 0 HB3 ALA A 10 19.008 3.350 -7.185 1.00 44.45 H new ATOM 127 N THR A 11 18.256 1.028 -8.966 1.00 30.34 N ATOM 128 CA THR A 11 18.860 0.105 -9.928 1.00 63.05 C ATOM 129 C THR A 11 17.824 -0.466 -10.906 1.00 55.41 C ATOM 130 O THR A 11 18.160 -0.841 -12.007 1.00 33.15 O ATOM 131 CB THR A 11 19.538 -1.064 -9.220 1.00 51.54 C ATOM 132 OG1 THR A 11 19.906 -0.647 -7.907 1.00 41.23 O ATOM 133 CG2 THR A 11 20.788 -1.518 -9.976 1.00 5.41 C ATOM 0 H THR A 11 18.300 0.713 -7.997 1.00 30.34 H new ATOM 0 HA THR A 11 19.597 0.686 -10.482 1.00 63.05 H new ATOM 0 HB THR A 11 18.843 -1.903 -9.179 1.00 51.54 H new ATOM 0 HG1 THR A 11 20.342 -1.389 -7.438 1.00 41.23 H new ATOM 0 HG21 THR A 11 21.250 -2.352 -9.448 1.00 5.41 H new ATOM 0 HG22 THR A 11 20.510 -1.834 -10.981 1.00 5.41 H new ATOM 0 HG23 THR A 11 21.496 -0.691 -10.038 1.00 5.41 H new ATOM 141 N GLU A 12 16.566 -0.532 -10.490 1.00 54.43 N ATOM 142 CA GLU A 12 15.522 -1.085 -11.327 1.00 20.33 C ATOM 143 C GLU A 12 15.412 -0.338 -12.615 1.00 64.41 C ATOM 144 O GLU A 12 15.135 -0.923 -13.663 1.00 11.21 O ATOM 145 CB GLU A 12 14.198 -0.999 -10.600 1.00 54.34 C ATOM 146 CG GLU A 12 14.226 -1.683 -9.254 1.00 64.42 C ATOM 147 CD GLU A 12 12.952 -1.631 -8.480 1.00 31.32 C ATOM 148 OE1 GLU A 12 12.172 -0.659 -8.660 1.00 72.32 O ATOM 149 OE2 GLU A 12 12.792 -2.466 -7.606 1.00 72.03 O ATOM 0 H GLU A 12 16.249 -0.208 -9.576 1.00 54.43 H new ATOM 0 HA GLU A 12 15.774 -2.123 -11.544 1.00 20.33 H new ATOM 0 HB2 GLU A 12 13.930 0.049 -10.465 1.00 54.34 H new ATOM 0 HB3 GLU A 12 13.420 -1.450 -11.216 1.00 54.34 H new ATOM 0 HG2 GLU A 12 14.498 -2.728 -9.403 1.00 64.42 H new ATOM 0 HG3 GLU A 12 15.015 -1.231 -8.653 1.00 64.42 H new ATOM 156 N LYS A 13 15.703 0.972 -12.566 1.00 45.10 N ATOM 157 CA LYS A 13 15.603 1.801 -13.758 1.00 63.30 C ATOM 158 C LYS A 13 16.652 1.443 -14.792 1.00 13.11 C ATOM 159 O LYS A 13 16.433 1.650 -15.964 1.00 53.41 O ATOM 160 CB LYS A 13 15.701 3.254 -13.327 1.00 24.45 C ATOM 161 CG LYS A 13 17.124 3.813 -13.381 1.00 34.20 C ATOM 162 CD LYS A 13 17.202 5.166 -12.719 1.00 71.04 C ATOM 163 CE LYS A 13 18.581 5.795 -12.915 1.00 61.54 C ATOM 164 NZ LYS A 13 18.837 6.162 -14.359 1.00 42.23 N ATOM 0 H LYS A 13 16.004 1.465 -11.725 1.00 45.10 H new ATOM 0 HA LYS A 13 14.645 1.626 -14.247 1.00 63.30 H new ATOM 0 HB2 LYS A 13 15.057 3.858 -13.966 1.00 24.45 H new ATOM 0 HB3 LYS A 13 15.320 3.349 -12.310 1.00 24.45 H new ATOM 0 HG2 LYS A 13 17.808 3.123 -12.887 1.00 34.20 H new ATOM 0 HG3 LYS A 13 17.447 3.893 -14.419 1.00 34.20 H new ATOM 0 HD2 LYS A 13 16.437 5.822 -13.134 1.00 71.04 H new ATOM 0 HD3 LYS A 13 16.992 5.066 -11.654 1.00 71.04 H new ATOM 0 HE2 LYS A 13 18.664 6.687 -12.294 1.00 61.54 H new ATOM 0 HE3 LYS A 13 19.348 5.099 -12.577 1.00 61.54 H new ATOM 0 HZ1 LYS A 13 19.654 6.804 -14.415 1.00 42.23 H new ATOM 0 HZ2 LYS A 13 19.036 5.300 -14.906 1.00 42.23 H new ATOM 0 HZ3 LYS A 13 17.998 6.635 -14.751 1.00 42.23 H new ATOM 178 N VAL A 14 17.826 0.977 -14.359 1.00 0.33 N ATOM 179 CA VAL A 14 18.907 0.705 -15.309 1.00 13.44 C ATOM 180 C VAL A 14 18.526 -0.594 -16.014 1.00 13.21 C ATOM 181 O VAL A 14 18.674 -0.720 -17.215 1.00 2.24 O ATOM 182 CB VAL A 14 20.348 0.632 -14.659 1.00 71.34 C ATOM 183 CG1 VAL A 14 20.511 1.670 -13.532 1.00 45.45 C ATOM 184 CG2 VAL A 14 20.685 -0.728 -14.099 1.00 70.20 C ATOM 0 H VAL A 14 18.050 0.784 -13.383 1.00 0.33 H new ATOM 0 HA VAL A 14 18.997 1.537 -16.008 1.00 13.44 H new ATOM 0 HB VAL A 14 21.036 0.847 -15.477 1.00 71.34 H new ATOM 0 HG11 VAL A 14 21.512 1.592 -13.108 1.00 45.45 H new ATOM 0 HG12 VAL A 14 20.365 2.672 -13.936 1.00 45.45 H new ATOM 0 HG13 VAL A 14 19.771 1.481 -12.754 1.00 45.45 H new ATOM 0 HG21 VAL A 14 21.686 -0.707 -13.669 1.00 70.20 H new ATOM 0 HG22 VAL A 14 19.964 -0.992 -13.326 1.00 70.20 H new ATOM 0 HG23 VAL A 14 20.649 -1.469 -14.897 1.00 70.20 H new ATOM 194 N LEU A 15 17.953 -1.528 -15.266 1.00 3.52 N ATOM 195 CA LEU A 15 17.579 -2.831 -15.790 1.00 54.51 C ATOM 196 C LEU A 15 16.396 -2.651 -16.730 1.00 60.20 C ATOM 197 O LEU A 15 16.370 -3.211 -17.815 1.00 1.52 O ATOM 198 CB LEU A 15 17.191 -3.734 -14.624 1.00 2.53 C ATOM 199 CG LEU A 15 18.280 -3.905 -13.572 1.00 62.44 C ATOM 200 CD1 LEU A 15 17.673 -4.382 -12.294 1.00 11.43 C ATOM 201 CD2 LEU A 15 19.341 -4.873 -13.996 1.00 33.43 C ATOM 0 H LEU A 15 17.735 -1.401 -14.278 1.00 3.52 H new ATOM 0 HA LEU A 15 18.408 -3.284 -16.333 1.00 54.51 H new ATOM 0 HB2 LEU A 15 16.301 -3.326 -14.145 1.00 2.53 H new ATOM 0 HB3 LEU A 15 16.922 -4.716 -15.014 1.00 2.53 H new ATOM 0 HG LEU A 15 18.751 -2.931 -13.438 1.00 62.44 H new ATOM 0 HD11 LEU A 15 18.454 -4.503 -11.543 1.00 11.43 H new ATOM 0 HD12 LEU A 15 16.943 -3.652 -11.943 1.00 11.43 H new ATOM 0 HD13 LEU A 15 17.178 -5.339 -12.461 1.00 11.43 H new ATOM 0 HD21 LEU A 15 20.092 -4.957 -13.210 1.00 33.43 H new ATOM 0 HD22 LEU A 15 18.892 -5.850 -14.175 1.00 33.43 H new ATOM 0 HD23 LEU A 15 19.813 -4.517 -14.912 1.00 33.43 H new ATOM 213 N CYS A 16 15.465 -1.796 -16.337 1.00 60.02 N ATOM 214 CA CYS A 16 14.363 -1.459 -17.174 1.00 74.13 C ATOM 215 C CYS A 16 14.829 -0.890 -18.510 1.00 64.15 C ATOM 216 O CYS A 16 14.168 -1.093 -19.548 1.00 70.11 O ATOM 217 CB CYS A 16 13.508 -0.391 -16.431 1.00 52.43 C ATOM 218 SG CYS A 16 11.914 -0.060 -17.147 1.00 10.53 S ATOM 0 H CYS A 16 15.466 -1.327 -15.431 1.00 60.02 H new ATOM 0 HA CYS A 16 13.783 -2.359 -17.381 1.00 74.13 H new ATOM 0 HB2 CYS A 16 13.364 -0.717 -15.401 1.00 52.43 H new ATOM 0 HB3 CYS A 16 14.072 0.541 -16.395 1.00 52.43 H new ATOM 0 HG CYS A 16 11.299 0.841 -16.440 1.00 10.53 H new ATOM 224 N ALA A 17 15.906 -0.121 -18.529 1.00 20.33 N ATOM 225 CA ALA A 17 16.351 0.484 -19.766 1.00 75.43 C ATOM 226 C ALA A 17 17.003 -0.557 -20.668 1.00 71.32 C ATOM 227 O ALA A 17 16.684 -0.661 -21.835 1.00 55.12 O ATOM 228 CB ALA A 17 17.367 1.602 -19.459 1.00 51.53 C ATOM 0 H ALA A 17 16.478 0.095 -17.713 1.00 20.33 H new ATOM 0 HA ALA A 17 15.485 0.902 -20.279 1.00 75.43 H new ATOM 0 HB1 ALA A 17 17.701 2.056 -20.392 1.00 51.53 H new ATOM 0 HB2 ALA A 17 16.896 2.361 -18.834 1.00 51.53 H new ATOM 0 HB3 ALA A 17 18.224 1.181 -18.934 1.00 51.53 H new ATOM 234 N LEU A 18 17.772 -1.378 -20.028 1.00 64.13 N ATOM 235 CA LEU A 18 18.450 -2.464 -20.664 1.00 23.44 C ATOM 236 C LEU A 18 17.480 -3.484 -21.279 1.00 22.42 C ATOM 237 O LEU A 18 17.702 -3.997 -22.381 1.00 23.43 O ATOM 238 CB LEU A 18 19.310 -3.208 -19.607 1.00 53.24 C ATOM 239 CG LEU A 18 20.861 -2.986 -19.630 1.00 53.24 C ATOM 240 CD1 LEU A 18 21.495 -2.643 -20.958 1.00 34.24 C ATOM 241 CD2 LEU A 18 21.196 -1.934 -18.632 1.00 43.03 C ATOM 0 H LEU A 18 17.951 -1.312 -19.026 1.00 64.13 H new ATOM 0 HA LEU A 18 19.058 -2.041 -21.464 1.00 23.44 H new ATOM 0 HB2 LEU A 18 18.947 -2.922 -18.620 1.00 53.24 H new ATOM 0 HB3 LEU A 18 19.124 -4.276 -19.718 1.00 53.24 H new ATOM 0 HG LEU A 18 21.286 -3.961 -19.392 1.00 53.24 H new ATOM 0 HD11 LEU A 18 22.570 -2.517 -20.826 1.00 34.24 H new ATOM 0 HD12 LEU A 18 21.308 -3.448 -21.669 1.00 34.24 H new ATOM 0 HD13 LEU A 18 21.065 -1.716 -21.338 1.00 34.24 H new ATOM 0 HD21 LEU A 18 22.273 -1.763 -18.631 1.00 43.03 H new ATOM 0 HD22 LEU A 18 20.682 -1.009 -18.892 1.00 43.03 H new ATOM 0 HD23 LEU A 18 20.879 -2.259 -17.641 1.00 43.03 H new ATOM 253 N TYR A 19 16.330 -3.690 -20.645 1.00 63.15 N ATOM 254 CA TYR A 19 15.284 -4.563 -21.208 1.00 23.21 C ATOM 255 C TYR A 19 14.749 -3.933 -22.498 1.00 52.53 C ATOM 256 O TYR A 19 14.615 -4.610 -23.516 1.00 62.25 O ATOM 257 CB TYR A 19 14.109 -4.721 -20.219 1.00 64.53 C ATOM 258 CG TYR A 19 14.271 -5.764 -19.116 1.00 20.23 C ATOM 259 CD1 TYR A 19 15.524 -6.032 -18.516 1.00 61.15 C ATOM 260 CD2 TYR A 19 13.147 -6.487 -18.655 1.00 0.15 C ATOM 261 CE1 TYR A 19 15.642 -6.990 -17.466 1.00 3.24 C ATOM 262 CE2 TYR A 19 13.270 -7.451 -17.610 1.00 63.41 C ATOM 263 CZ TYR A 19 14.511 -7.686 -17.024 1.00 70.02 C ATOM 264 OH TYR A 19 14.609 -8.597 -16.000 1.00 53.24 O ATOM 0 H TYR A 19 16.091 -3.271 -19.746 1.00 63.15 H new ATOM 0 HA TYR A 19 15.720 -5.543 -21.404 1.00 23.21 H new ATOM 0 HB2 TYR A 19 13.929 -3.754 -19.748 1.00 64.53 H new ATOM 0 HB3 TYR A 19 13.215 -4.968 -20.791 1.00 64.53 H new ATOM 0 HD1 TYR A 19 16.402 -5.504 -18.857 1.00 61.15 H new ATOM 0 HD2 TYR A 19 12.180 -6.307 -19.101 1.00 0.15 H new ATOM 0 HE1 TYR A 19 16.604 -7.178 -17.012 1.00 3.24 H new ATOM 0 HE2 TYR A 19 12.401 -7.998 -17.274 1.00 63.41 H new ATOM 0 HH TYR A 19 13.824 -9.184 -16.008 1.00 53.24 H new ATOM 274 N ALA A 20 14.447 -2.640 -22.454 1.00 63.43 N ATOM 275 CA ALA A 20 13.896 -1.940 -23.614 1.00 71.11 C ATOM 276 C ALA A 20 14.864 -1.913 -24.799 1.00 30.31 C ATOM 277 O ALA A 20 14.442 -2.031 -25.936 1.00 31.33 O ATOM 278 CB ALA A 20 13.522 -0.505 -23.207 1.00 70.13 C ATOM 0 H ALA A 20 14.574 -2.054 -21.629 1.00 63.43 H new ATOM 0 HA ALA A 20 13.011 -2.486 -23.941 1.00 71.11 H new ATOM 0 HB1 ALA A 20 13.111 0.022 -24.068 1.00 70.13 H new ATOM 0 HB2 ALA A 20 12.778 -0.535 -22.411 1.00 70.13 H new ATOM 0 HB3 ALA A 20 14.412 0.017 -22.854 1.00 70.13 H new ATOM 284 N GLU A 21 16.159 -1.776 -24.528 1.00 73.23 N ATOM 285 CA GLU A 21 17.176 -1.737 -25.592 1.00 52.21 C ATOM 286 C GLU A 21 17.167 -3.031 -26.391 1.00 34.24 C ATOM 287 O GLU A 21 17.326 -3.033 -27.617 1.00 43.42 O ATOM 288 CB GLU A 21 18.579 -1.614 -25.013 1.00 62.52 C ATOM 289 CG GLU A 21 18.945 -0.261 -24.444 1.00 64.02 C ATOM 290 CD GLU A 21 20.359 -0.263 -23.865 1.00 53.02 C ATOM 291 OE1 GLU A 21 21.091 -1.279 -24.025 1.00 2.21 O ATOM 292 OE2 GLU A 21 20.747 0.745 -23.245 1.00 11.24 O ATOM 0 H GLU A 21 16.536 -1.690 -23.584 1.00 73.23 H new ATOM 0 HA GLU A 21 16.933 -0.877 -26.216 1.00 52.21 H new ATOM 0 HB2 GLU A 21 18.693 -2.360 -24.226 1.00 62.52 H new ATOM 0 HB3 GLU A 21 19.296 -1.864 -25.795 1.00 62.52 H new ATOM 0 HG2 GLU A 21 18.871 0.496 -25.225 1.00 64.02 H new ATOM 0 HG3 GLU A 21 18.232 0.013 -23.666 1.00 64.02 H new ATOM 299 N ILE A 22 17.033 -4.142 -25.685 1.00 3.13 N ATOM 300 CA ILE A 22 17.118 -5.452 -26.297 1.00 4.43 C ATOM 301 C ILE A 22 15.806 -5.865 -26.939 1.00 54.50 C ATOM 302 O ILE A 22 15.801 -6.504 -27.999 1.00 54.12 O ATOM 303 CB ILE A 22 17.548 -6.498 -25.243 1.00 71.11 C ATOM 304 CG1 ILE A 22 18.969 -6.153 -24.780 1.00 65.20 C ATOM 305 CG2 ILE A 22 17.527 -7.941 -25.822 1.00 33.03 C ATOM 306 CD1 ILE A 22 19.505 -7.021 -23.702 1.00 55.24 C ATOM 0 H ILE A 22 16.864 -4.159 -24.679 1.00 3.13 H new ATOM 0 HA ILE A 22 17.866 -5.401 -27.088 1.00 4.43 H new ATOM 0 HB ILE A 22 16.845 -6.469 -24.410 1.00 71.11 H new ATOM 0 HG12 ILE A 22 19.639 -6.210 -25.638 1.00 65.20 H new ATOM 0 HG13 ILE A 22 18.981 -5.120 -24.434 1.00 65.20 H new ATOM 0 HG21 ILE A 22 17.835 -8.647 -25.051 1.00 33.03 H new ATOM 0 HG22 ILE A 22 16.518 -8.185 -26.155 1.00 33.03 H new ATOM 0 HG23 ILE A 22 18.213 -8.004 -26.667 1.00 33.03 H new ATOM 0 HD11 ILE A 22 20.514 -6.699 -23.443 1.00 55.24 H new ATOM 0 HD12 ILE A 22 18.864 -6.948 -22.823 1.00 55.24 H new ATOM 0 HD13 ILE A 22 19.531 -8.055 -24.047 1.00 55.24 H new ATOM 318 N LEU A 23 14.694 -5.495 -26.314 1.00 5.05 N ATOM 319 CA LEU A 23 13.377 -5.868 -26.828 1.00 3.24 C ATOM 320 C LEU A 23 12.929 -4.930 -27.944 1.00 2.11 C ATOM 321 O LEU A 23 12.068 -5.290 -28.735 1.00 1.24 O ATOM 322 CB LEU A 23 12.341 -5.856 -25.695 1.00 53.53 C ATOM 323 CG LEU A 23 12.123 -7.141 -24.875 1.00 15.34 C ATOM 324 CD1 LEU A 23 11.485 -8.211 -25.752 1.00 14.11 C ATOM 325 CD2 LEU A 23 13.385 -7.701 -24.228 1.00 62.50 C ATOM 0 H LEU A 23 14.675 -4.942 -25.457 1.00 5.05 H new ATOM 0 HA LEU A 23 13.455 -6.875 -27.238 1.00 3.24 H new ATOM 0 HB2 LEU A 23 12.621 -5.065 -25.000 1.00 53.53 H new ATOM 0 HB3 LEU A 23 11.381 -5.574 -26.128 1.00 53.53 H new ATOM 0 HG LEU A 23 11.463 -6.859 -24.055 1.00 15.34 H new ATOM 0 HD11 LEU A 23 11.333 -9.118 -25.167 1.00 14.11 H new ATOM 0 HD12 LEU A 23 10.524 -7.853 -26.122 1.00 14.11 H new ATOM 0 HD13 LEU A 23 12.141 -8.429 -26.595 1.00 14.11 H new ATOM 0 HD21 LEU A 23 13.138 -8.605 -23.671 1.00 62.50 H new ATOM 0 HD22 LEU A 23 14.115 -7.939 -25.001 1.00 62.50 H new ATOM 0 HD23 LEU A 23 13.805 -6.960 -23.548 1.00 62.50 H new ATOM 337 N GLY A 24 13.525 -3.744 -28.010 1.00 43.34 N ATOM 338 CA GLY A 24 13.180 -2.789 -29.055 1.00 73.13 C ATOM 339 C GLY A 24 11.819 -2.153 -28.846 1.00 31.22 C ATOM 340 O GLY A 24 11.061 -1.985 -29.795 1.00 23.21 O ATOM 0 H GLY A 24 14.242 -3.424 -27.359 1.00 43.34 H new ATOM 0 HA2 GLY A 24 13.939 -2.008 -29.091 1.00 73.13 H new ATOM 0 HA3 GLY A 24 13.195 -3.294 -30.021 1.00 73.13 H new ATOM 344 N VAL A 25 11.505 -1.814 -27.600 1.00 65.21 N ATOM 345 CA VAL A 25 10.183 -1.269 -27.267 1.00 14.11 C ATOM 346 C VAL A 25 10.197 0.188 -26.835 1.00 21.30 C ATOM 347 O VAL A 25 11.209 0.723 -26.395 1.00 3.23 O ATOM 348 CB VAL A 25 9.509 -2.070 -26.118 1.00 52.10 C ATOM 349 CG1 VAL A 25 9.261 -3.472 -26.526 1.00 55.41 C ATOM 350 CG2 VAL A 25 10.366 -2.068 -24.861 1.00 13.04 C ATOM 0 H VAL A 25 12.139 -1.904 -26.806 1.00 65.21 H new ATOM 0 HA VAL A 25 9.626 -1.354 -28.200 1.00 14.11 H new ATOM 0 HB VAL A 25 8.560 -1.578 -25.902 1.00 52.10 H new ATOM 0 HG11 VAL A 25 8.789 -4.012 -25.705 1.00 55.41 H new ATOM 0 HG12 VAL A 25 8.604 -3.487 -27.396 1.00 55.41 H new ATOM 0 HG13 VAL A 25 10.207 -3.950 -26.778 1.00 55.41 H new ATOM 0 HG21 VAL A 25 9.865 -2.637 -24.078 1.00 13.04 H new ATOM 0 HG22 VAL A 25 11.332 -2.523 -25.079 1.00 13.04 H new ATOM 0 HG23 VAL A 25 10.516 -1.042 -24.525 1.00 13.04 H new ATOM 360 N GLU A 26 9.025 0.791 -26.906 1.00 14.22 N ATOM 361 CA GLU A 26 8.803 2.151 -26.440 1.00 62.33 C ATOM 362 C GLU A 26 8.850 2.247 -24.914 1.00 14.41 C ATOM 363 O GLU A 26 9.171 3.303 -24.359 1.00 61.12 O ATOM 364 CB GLU A 26 7.420 2.604 -26.889 1.00 15.21 C ATOM 365 CG GLU A 26 7.283 2.783 -28.395 1.00 55.20 C ATOM 366 CD GLU A 26 5.919 3.350 -28.785 1.00 22.42 C ATOM 367 OE1 GLU A 26 4.974 3.258 -27.966 1.00 31.40 O ATOM 368 OE2 GLU A 26 5.798 3.893 -29.901 1.00 3.34 O ATOM 0 H GLU A 26 8.191 0.348 -27.292 1.00 14.22 H new ATOM 0 HA GLU A 26 9.592 2.777 -26.856 1.00 62.33 H new ATOM 0 HB2 GLU A 26 6.683 1.875 -26.552 1.00 15.21 H new ATOM 0 HB3 GLU A 26 7.182 3.548 -26.399 1.00 15.21 H new ATOM 0 HG2 GLU A 26 8.068 3.449 -28.753 1.00 55.20 H new ATOM 0 HG3 GLU A 26 7.430 1.822 -28.889 1.00 55.20 H new ATOM 375 N ARG A 27 8.468 1.172 -24.229 1.00 30.51 N ATOM 376 CA ARG A 27 8.348 1.210 -22.767 1.00 44.24 C ATOM 377 C ARG A 27 8.439 -0.158 -22.110 1.00 41.42 C ATOM 378 O ARG A 27 7.932 -1.136 -22.637 1.00 73.14 O ATOM 379 CB ARG A 27 6.991 1.834 -22.408 1.00 12.44 C ATOM 380 CG ARG A 27 6.881 2.302 -20.964 1.00 23.14 C ATOM 381 CD ARG A 27 5.526 2.926 -20.699 1.00 51.13 C ATOM 382 NE ARG A 27 5.479 3.530 -19.359 1.00 52.11 N ATOM 383 CZ ARG A 27 5.825 4.779 -19.069 1.00 32.11 C ATOM 384 NH1 ARG A 27 6.241 5.625 -19.983 1.00 64.34 N ATOM 385 NH2 ARG A 27 5.750 5.189 -17.832 1.00 4.15 N ATOM 0 H ARG A 27 8.238 0.273 -24.652 1.00 30.51 H new ATOM 0 HA ARG A 27 9.187 1.797 -22.393 1.00 44.24 H new ATOM 0 HB2 ARG A 27 6.808 2.682 -23.068 1.00 12.44 H new ATOM 0 HB3 ARG A 27 6.205 1.104 -22.602 1.00 12.44 H new ATOM 0 HG2 ARG A 27 7.035 1.458 -20.291 1.00 23.14 H new ATOM 0 HG3 ARG A 27 7.667 3.026 -20.752 1.00 23.14 H new ATOM 0 HD2 ARG A 27 5.318 3.686 -21.452 1.00 51.13 H new ATOM 0 HD3 ARG A 27 4.748 2.167 -20.788 1.00 51.13 H new ATOM 0 HE ARG A 27 5.155 2.943 -18.591 1.00 52.11 H new ATOM 0 HH11 ARG A 27 6.308 5.331 -20.957 1.00 64.34 H new ATOM 0 HH12 ARG A 27 6.497 6.576 -19.719 1.00 64.34 H new ATOM 0 HH21 ARG A 27 5.429 4.553 -17.102 1.00 4.15 H new ATOM 0 HH22 ARG A 27 6.013 6.146 -17.595 1.00 4.15 H new ATOM 399 N VAL A 28 9.022 -0.183 -20.920 1.00 22.43 N ATOM 400 CA VAL A 28 9.054 -1.365 -20.058 1.00 13.42 C ATOM 401 C VAL A 28 8.687 -0.837 -18.667 1.00 51.54 C ATOM 402 O VAL A 28 9.059 0.288 -18.319 1.00 40.53 O ATOM 403 CB VAL A 28 10.485 -2.025 -20.037 1.00 53.33 C ATOM 404 CG1 VAL A 28 10.574 -3.176 -19.027 1.00 65.24 C ATOM 405 CG2 VAL A 28 10.840 -2.553 -21.408 1.00 31.10 C ATOM 0 H VAL A 28 9.494 0.626 -20.517 1.00 22.43 H new ATOM 0 HA VAL A 28 8.371 -2.139 -20.408 1.00 13.42 H new ATOM 0 HB VAL A 28 11.188 -1.247 -19.738 1.00 53.33 H new ATOM 0 HG11 VAL A 28 11.578 -3.601 -19.047 1.00 65.24 H new ATOM 0 HG12 VAL A 28 10.359 -2.800 -18.027 1.00 65.24 H new ATOM 0 HG13 VAL A 28 9.849 -3.946 -19.289 1.00 65.24 H new ATOM 0 HG21 VAL A 28 11.831 -3.006 -21.378 1.00 31.10 H new ATOM 0 HG22 VAL A 28 10.108 -3.302 -21.710 1.00 31.10 H new ATOM 0 HG23 VAL A 28 10.838 -1.733 -22.126 1.00 31.10 H new ATOM 415 N GLY A 29 7.958 -1.626 -17.888 1.00 41.25 N ATOM 416 CA GLY A 29 7.679 -1.307 -16.496 1.00 64.11 C ATOM 417 C GLY A 29 8.559 -2.186 -15.623 1.00 44.35 C ATOM 418 O GLY A 29 9.064 -3.197 -16.082 1.00 71.21 O ATOM 0 H GLY A 29 7.545 -2.503 -18.204 1.00 41.25 H new ATOM 0 HA2 GLY A 29 7.880 -0.254 -16.300 1.00 64.11 H new ATOM 0 HA3 GLY A 29 6.627 -1.479 -16.270 1.00 64.11 H new ATOM 422 N VAL A 30 8.762 -1.823 -14.363 1.00 24.21 N ATOM 423 CA VAL A 30 9.659 -2.606 -13.493 1.00 42.24 C ATOM 424 C VAL A 30 9.057 -3.926 -13.036 1.00 60.30 C ATOM 425 O VAL A 30 9.743 -4.754 -12.431 1.00 62.24 O ATOM 426 CB VAL A 30 10.106 -1.796 -12.259 1.00 20.45 C ATOM 427 CG1 VAL A 30 11.004 -0.663 -12.698 1.00 41.13 C ATOM 428 CG2 VAL A 30 8.888 -1.263 -11.466 1.00 74.13 C ATOM 0 H VAL A 30 8.333 -1.011 -13.919 1.00 24.21 H new ATOM 0 HA VAL A 30 10.526 -2.835 -14.113 1.00 42.24 H new ATOM 0 HB VAL A 30 10.663 -2.453 -11.591 1.00 20.45 H new ATOM 0 HG11 VAL A 30 11.320 -0.090 -11.826 1.00 41.13 H new ATOM 0 HG12 VAL A 30 11.881 -1.068 -13.203 1.00 41.13 H new ATOM 0 HG13 VAL A 30 10.460 -0.012 -13.382 1.00 41.13 H new ATOM 0 HG21 VAL A 30 9.236 -0.696 -10.602 1.00 74.13 H new ATOM 0 HG22 VAL A 30 8.291 -0.616 -12.108 1.00 74.13 H new ATOM 0 HG23 VAL A 30 8.279 -2.101 -11.128 1.00 74.13 H new ATOM 438 N ASP A 31 7.795 -4.127 -13.359 1.00 5.43 N ATOM 439 CA ASP A 31 7.063 -5.345 -13.044 1.00 73.51 C ATOM 440 C ASP A 31 6.758 -6.137 -14.324 1.00 23.22 C ATOM 441 O ASP A 31 6.163 -7.209 -14.273 1.00 21.32 O ATOM 442 CB ASP A 31 5.760 -5.000 -12.333 1.00 45.11 C ATOM 443 CG ASP A 31 4.841 -4.127 -13.181 1.00 51.52 C ATOM 444 OD1 ASP A 31 5.299 -3.070 -13.685 1.00 71.40 O ATOM 445 OD2 ASP A 31 3.635 -4.446 -13.282 1.00 64.01 O ATOM 0 H ASP A 31 7.235 -3.436 -13.858 1.00 5.43 H new ATOM 0 HA ASP A 31 7.681 -5.959 -12.389 1.00 73.51 H new ATOM 0 HB2 ASP A 31 5.239 -5.921 -12.070 1.00 45.11 H new ATOM 0 HB3 ASP A 31 5.986 -4.484 -11.400 1.00 45.11 H new ATOM 450 N ASP A 32 7.207 -5.625 -15.448 1.00 30.10 N ATOM 451 CA ASP A 32 7.036 -6.308 -16.740 1.00 31.34 C ATOM 452 C ASP A 32 8.085 -7.396 -16.771 1.00 20.21 C ATOM 453 O ASP A 32 9.277 -7.134 -16.583 1.00 52.32 O ATOM 454 CB ASP A 32 7.265 -5.372 -17.941 1.00 70.01 C ATOM 455 CG ASP A 32 6.201 -4.278 -18.063 1.00 72.53 C ATOM 456 OD1 ASP A 32 5.379 -4.051 -17.143 1.00 72.02 O ATOM 457 OD2 ASP A 32 6.300 -3.542 -19.062 1.00 54.11 O ATOM 0 H ASP A 32 7.698 -4.733 -15.508 1.00 30.10 H new ATOM 0 HA ASP A 32 6.016 -6.683 -16.823 1.00 31.34 H new ATOM 0 HB2 ASP A 32 8.247 -4.907 -17.849 1.00 70.01 H new ATOM 0 HB3 ASP A 32 7.277 -5.963 -18.857 1.00 70.01 H new ATOM 462 N ALA A 33 7.650 -8.631 -16.954 1.00 22.42 N ATOM 463 CA ALA A 33 8.577 -9.740 -16.973 1.00 51.14 C ATOM 464 C ALA A 33 9.216 -9.830 -18.353 1.00 71.23 C ATOM 465 O ALA A 33 8.582 -9.540 -19.351 1.00 75.52 O ATOM 466 CB ALA A 33 7.836 -11.014 -16.626 1.00 12.10 C ATOM 0 H ALA A 33 6.672 -8.885 -17.090 1.00 22.42 H new ATOM 0 HA ALA A 33 9.367 -9.592 -16.236 1.00 51.14 H new ATOM 0 HB1 ALA A 33 8.531 -11.854 -16.639 1.00 12.10 H new ATOM 0 HB2 ALA A 33 7.398 -10.921 -15.632 1.00 12.10 H new ATOM 0 HB3 ALA A 33 7.046 -11.186 -17.357 1.00 12.10 H new ATOM 472 N PHE A 34 10.449 -10.297 -18.409 1.00 51.12 N ATOM 473 CA PHE A 34 11.146 -10.464 -19.673 1.00 54.14 C ATOM 474 C PHE A 34 10.360 -11.415 -20.588 1.00 53.43 C ATOM 475 O PHE A 34 10.318 -11.236 -21.797 1.00 15.50 O ATOM 476 CB PHE A 34 12.549 -10.999 -19.404 1.00 13.24 C ATOM 477 CG PHE A 34 13.517 -10.799 -20.549 1.00 40.22 C ATOM 478 CD1 PHE A 34 14.240 -9.599 -20.660 1.00 63.12 C ATOM 479 CD2 PHE A 34 13.712 -11.806 -21.521 1.00 2.11 C ATOM 480 CE1 PHE A 34 15.156 -9.396 -21.712 1.00 71.30 C ATOM 481 CE2 PHE A 34 14.635 -11.610 -22.584 1.00 61.35 C ATOM 482 CZ PHE A 34 15.361 -10.400 -22.672 1.00 53.03 C ATOM 0 H PHE A 34 10.992 -10.569 -17.590 1.00 51.12 H new ATOM 0 HA PHE A 34 11.227 -9.502 -20.180 1.00 54.14 H new ATOM 0 HB2 PHE A 34 12.948 -10.510 -18.515 1.00 13.24 H new ATOM 0 HB3 PHE A 34 12.483 -12.064 -19.180 1.00 13.24 H new ATOM 0 HD1 PHE A 34 14.091 -8.820 -19.927 1.00 63.12 H new ATOM 0 HD2 PHE A 34 13.157 -12.730 -21.456 1.00 2.11 H new ATOM 0 HE1 PHE A 34 15.701 -8.466 -21.780 1.00 71.30 H new ATOM 0 HE2 PHE A 34 14.781 -12.384 -23.323 1.00 61.35 H new ATOM 0 HZ PHE A 34 16.069 -10.249 -23.473 1.00 53.03 H new ATOM 492 N HIS A 35 9.683 -12.394 -19.996 1.00 41.13 N ATOM 493 CA HIS A 35 8.832 -13.298 -20.775 1.00 15.12 C ATOM 494 C HIS A 35 7.486 -12.675 -21.178 1.00 41.31 C ATOM 495 O HIS A 35 6.862 -13.143 -22.121 1.00 45.43 O ATOM 496 CB HIS A 35 8.594 -14.614 -20.013 1.00 14.53 C ATOM 497 CG HIS A 35 7.818 -14.455 -18.738 1.00 22.32 C ATOM 498 ND1 HIS A 35 6.482 -14.140 -18.667 1.00 32.31 N ATOM 499 CD2 HIS A 35 8.211 -14.609 -17.442 1.00 43.34 C ATOM 500 CE1 HIS A 35 6.133 -14.098 -17.385 1.00 1.22 C ATOM 501 NE2 HIS A 35 7.151 -14.376 -16.593 1.00 74.42 N ATOM 0 H HIS A 35 9.703 -12.583 -18.994 1.00 41.13 H new ATOM 0 HA HIS A 35 9.375 -13.500 -21.698 1.00 15.12 H new ATOM 0 HB2 HIS A 35 8.062 -15.307 -20.665 1.00 14.53 H new ATOM 0 HB3 HIS A 35 9.558 -15.068 -19.784 1.00 14.53 H new ATOM 0 HD2 HIS A 35 9.209 -14.875 -17.126 1.00 43.34 H new ATOM 0 HE1 HIS A 35 5.138 -13.865 -17.035 1.00 1.22 H new ATOM 0 HE2 HIS A 35 7.153 -14.411 -15.574 1.00 74.42 H new ATOM 509 N ASP A 36 7.032 -11.645 -20.468 1.00 70.15 N ATOM 510 CA ASP A 36 5.755 -11.001 -20.792 1.00 31.32 C ATOM 511 C ASP A 36 5.977 -10.114 -22.007 1.00 3.34 C ATOM 512 O ASP A 36 5.125 -9.971 -22.870 1.00 15.02 O ATOM 513 CB ASP A 36 5.273 -10.173 -19.603 1.00 53.54 C ATOM 514 CG ASP A 36 3.797 -9.855 -19.677 1.00 41.04 C ATOM 515 OD1 ASP A 36 3.002 -10.790 -19.908 1.00 30.10 O ATOM 516 OD2 ASP A 36 3.426 -8.699 -19.394 1.00 41.10 O ATOM 0 H ASP A 36 7.522 -11.239 -19.671 1.00 70.15 H new ATOM 0 HA ASP A 36 4.992 -11.748 -21.010 1.00 31.32 H new ATOM 0 HB2 ASP A 36 5.478 -10.715 -18.680 1.00 53.54 H new ATOM 0 HB3 ASP A 36 5.840 -9.243 -19.559 1.00 53.54 H new ATOM 521 N LEU A 37 7.195 -9.596 -22.095 1.00 73.33 N ATOM 522 CA LEU A 37 7.633 -8.782 -23.230 1.00 53.44 C ATOM 523 C LEU A 37 7.916 -9.646 -24.466 1.00 72.12 C ATOM 524 O LEU A 37 8.315 -9.136 -25.505 1.00 13.54 O ATOM 525 CB LEU A 37 8.914 -8.025 -22.849 1.00 43.33 C ATOM 526 CG LEU A 37 8.806 -6.988 -21.718 1.00 0.50 C ATOM 527 CD1 LEU A 37 10.204 -6.574 -21.253 1.00 35.11 C ATOM 528 CD2 LEU A 37 8.037 -5.752 -22.181 1.00 70.32 C ATOM 0 H LEU A 37 7.912 -9.727 -21.381 1.00 73.33 H new ATOM 0 HA LEU A 37 6.832 -8.084 -23.473 1.00 53.44 H new ATOM 0 HB2 LEU A 37 9.668 -8.759 -22.564 1.00 43.33 H new ATOM 0 HB3 LEU A 37 9.284 -7.517 -23.739 1.00 43.33 H new ATOM 0 HG LEU A 37 8.264 -7.445 -20.890 1.00 0.50 H new ATOM 0 HD11 LEU A 37 10.118 -5.840 -20.452 1.00 35.11 H new ATOM 0 HD12 LEU A 37 10.740 -7.450 -20.887 1.00 35.11 H new ATOM 0 HD13 LEU A 37 10.751 -6.137 -22.089 1.00 35.11 H new ATOM 0 HD21 LEU A 37 7.975 -5.035 -21.363 1.00 70.32 H new ATOM 0 HD22 LEU A 37 8.555 -5.296 -23.025 1.00 70.32 H new ATOM 0 HD23 LEU A 37 7.032 -6.042 -22.486 1.00 70.32 H new ATOM 540 N GLY A 38 7.737 -10.956 -24.341 1.00 44.55 N ATOM 541 CA GLY A 38 7.996 -11.862 -25.453 1.00 51.11 C ATOM 542 C GLY A 38 9.476 -12.123 -25.685 1.00 11.13 C ATOM 543 O GLY A 38 9.888 -12.532 -26.774 1.00 54.35 O ATOM 0 H GLY A 38 7.416 -11.412 -23.487 1.00 44.55 H new ATOM 0 HA2 GLY A 38 7.492 -12.810 -25.265 1.00 51.11 H new ATOM 0 HA3 GLY A 38 7.561 -11.445 -26.361 1.00 51.11 H new ATOM 547 N GLY A 39 10.289 -11.877 -24.668 1.00 51.21 N ATOM 548 CA GLY A 39 11.727 -12.058 -24.798 1.00 55.21 C ATOM 549 C GLY A 39 12.124 -13.511 -24.981 1.00 13.22 C ATOM 550 O GLY A 39 11.520 -14.414 -24.408 1.00 14.31 O ATOM 0 H GLY A 39 9.981 -11.554 -23.751 1.00 51.21 H new ATOM 0 HA2 GLY A 39 12.086 -11.478 -25.649 1.00 55.21 H new ATOM 0 HA3 GLY A 39 12.220 -11.661 -23.911 1.00 55.21 H new ATOM 554 N SER A 40 13.140 -13.753 -25.799 1.00 45.24 N ATOM 555 CA SER A 40 13.566 -15.120 -26.109 1.00 73.52 C ATOM 556 C SER A 40 14.846 -15.447 -25.358 1.00 44.24 C ATOM 557 O SER A 40 15.534 -14.546 -24.891 1.00 54.25 O ATOM 558 CB SER A 40 13.804 -15.266 -27.610 1.00 72.54 C ATOM 559 OG SER A 40 12.662 -14.880 -28.346 1.00 53.24 O ATOM 0 H SER A 40 13.686 -13.026 -26.261 1.00 45.24 H new ATOM 0 HA SER A 40 12.781 -15.811 -25.801 1.00 73.52 H new ATOM 0 HB2 SER A 40 14.656 -14.654 -27.907 1.00 72.54 H new ATOM 0 HB3 SER A 40 14.058 -16.300 -27.842 1.00 72.54 H new ATOM 0 HG SER A 40 12.841 -14.981 -29.304 1.00 53.24 H new ATOM 565 N SER A 41 15.201 -16.725 -25.279 1.00 3.32 N ATOM 566 CA SER A 41 16.416 -17.151 -24.565 1.00 33.52 C ATOM 567 C SER A 41 17.672 -16.453 -25.083 1.00 13.31 C ATOM 568 O SER A 41 18.527 -16.036 -24.311 1.00 32.32 O ATOM 569 CB SER A 41 16.593 -18.666 -24.690 1.00 35.42 C ATOM 570 OG SER A 41 17.748 -19.096 -23.993 1.00 60.33 O ATOM 0 H SER A 41 14.670 -17.489 -25.698 1.00 3.32 H new ATOM 0 HA SER A 41 16.286 -16.870 -23.520 1.00 33.52 H new ATOM 0 HB2 SER A 41 15.714 -19.173 -24.294 1.00 35.42 H new ATOM 0 HB3 SER A 41 16.673 -18.942 -25.741 1.00 35.42 H new ATOM 0 HG SER A 41 17.842 -20.067 -24.084 1.00 60.33 H new ATOM 576 N ALA A 42 17.767 -16.280 -26.392 1.00 31.50 N ATOM 577 CA ALA A 42 18.921 -15.605 -26.974 1.00 61.10 C ATOM 578 C ALA A 42 19.026 -14.147 -26.486 1.00 44.11 C ATOM 579 O ALA A 42 20.109 -13.663 -26.180 1.00 44.52 O ATOM 580 CB ALA A 42 18.844 -15.658 -28.501 1.00 41.23 C ATOM 0 H ALA A 42 17.069 -16.593 -27.067 1.00 31.50 H new ATOM 0 HA ALA A 42 19.820 -16.126 -26.646 1.00 61.10 H new ATOM 0 HB1 ALA A 42 19.710 -15.151 -28.927 1.00 41.23 H new ATOM 0 HB2 ALA A 42 18.834 -16.697 -28.829 1.00 41.23 H new ATOM 0 HB3 ALA A 42 17.933 -15.163 -28.837 1.00 41.23 H new ATOM 586 N LEU A 43 17.897 -13.460 -26.406 1.00 13.14 N ATOM 587 CA LEU A 43 17.857 -12.078 -25.946 1.00 1.45 C ATOM 588 C LEU A 43 18.223 -12.050 -24.458 1.00 15.12 C ATOM 589 O LEU A 43 18.952 -11.172 -24.000 1.00 71.44 O ATOM 590 CB LEU A 43 16.456 -11.494 -26.168 1.00 30.10 C ATOM 591 CG LEU A 43 16.083 -10.937 -27.558 1.00 24.23 C ATOM 592 CD1 LEU A 43 16.105 -11.998 -28.627 1.00 54.33 C ATOM 593 CD2 LEU A 43 14.699 -10.301 -27.463 1.00 1.02 C ATOM 0 H LEU A 43 16.985 -13.842 -26.657 1.00 13.14 H new ATOM 0 HA LEU A 43 18.569 -11.473 -26.508 1.00 1.45 H new ATOM 0 HB2 LEU A 43 15.734 -12.272 -25.922 1.00 30.10 H new ATOM 0 HB3 LEU A 43 16.317 -10.690 -25.445 1.00 30.10 H new ATOM 0 HG LEU A 43 16.827 -10.195 -27.848 1.00 24.23 H new ATOM 0 HD11 LEU A 43 15.835 -11.554 -29.585 1.00 54.33 H new ATOM 0 HD12 LEU A 43 17.105 -12.426 -28.694 1.00 54.33 H new ATOM 0 HD13 LEU A 43 15.390 -12.782 -28.376 1.00 54.33 H new ATOM 0 HD21 LEU A 43 14.415 -9.900 -28.436 1.00 1.02 H new ATOM 0 HD22 LEU A 43 13.973 -11.053 -27.155 1.00 1.02 H new ATOM 0 HD23 LEU A 43 14.719 -9.494 -26.730 1.00 1.02 H new ATOM 605 N ALA A 44 17.729 -13.027 -23.714 1.00 15.24 N ATOM 606 CA ALA A 44 17.987 -13.091 -22.276 1.00 71.01 C ATOM 607 C ALA A 44 19.458 -13.276 -21.935 1.00 23.42 C ATOM 608 O ALA A 44 19.982 -12.636 -21.052 1.00 32.22 O ATOM 609 CB ALA A 44 17.151 -14.221 -21.643 1.00 74.50 C ATOM 0 H ALA A 44 17.150 -13.785 -24.075 1.00 15.24 H new ATOM 0 HA ALA A 44 17.692 -12.127 -21.862 1.00 71.01 H new ATOM 0 HB1 ALA A 44 17.348 -14.263 -20.572 1.00 74.50 H new ATOM 0 HB2 ALA A 44 16.091 -14.027 -21.810 1.00 74.50 H new ATOM 0 HB3 ALA A 44 17.422 -15.173 -22.099 1.00 74.50 H new ATOM 615 N MET A 45 20.169 -14.104 -22.684 1.00 2.01 N ATOM 616 CA MET A 45 21.596 -14.279 -22.463 1.00 33.23 C ATOM 617 C MET A 45 22.354 -12.992 -22.819 1.00 64.30 C ATOM 618 O MET A 45 23.303 -12.610 -22.139 1.00 24.31 O ATOM 619 CB MET A 45 22.115 -15.449 -23.293 1.00 44.40 C ATOM 620 CG MET A 45 21.559 -16.794 -22.805 1.00 44.43 C ATOM 621 SD MET A 45 22.280 -18.207 -23.681 1.00 72.12 S ATOM 622 CE MET A 45 21.438 -18.121 -25.267 1.00 52.44 C ATOM 0 H MET A 45 19.784 -14.662 -23.446 1.00 2.01 H new ATOM 0 HA MET A 45 21.763 -14.497 -21.408 1.00 33.23 H new ATOM 0 HB2 MET A 45 21.841 -15.302 -24.338 1.00 44.40 H new ATOM 0 HB3 MET A 45 23.204 -15.470 -23.249 1.00 44.40 H new ATOM 0 HG2 MET A 45 21.752 -16.897 -21.737 1.00 44.43 H new ATOM 0 HG3 MET A 45 20.477 -16.804 -22.936 1.00 44.43 H new ATOM 0 HE1 MET A 45 21.731 -18.972 -25.881 1.00 52.44 H new ATOM 0 HE2 MET A 45 20.360 -18.143 -25.108 1.00 52.44 H new ATOM 0 HE3 MET A 45 21.712 -17.196 -25.774 1.00 52.44 H new ATOM 632 N ARG A 46 21.899 -12.276 -23.840 1.00 33.51 N ATOM 633 CA ARG A 46 22.509 -10.985 -24.188 1.00 24.20 C ATOM 634 C ARG A 46 22.207 -9.948 -23.112 1.00 75.11 C ATOM 635 O ARG A 46 23.001 -9.062 -22.868 1.00 43.42 O ATOM 636 CB ARG A 46 22.046 -10.477 -25.550 1.00 24.44 C ATOM 637 CG ARG A 46 22.609 -11.275 -26.714 1.00 53.40 C ATOM 638 CD ARG A 46 22.447 -10.541 -28.046 1.00 54.31 C ATOM 639 NE ARG A 46 21.036 -10.409 -28.458 1.00 73.20 N ATOM 640 CZ ARG A 46 20.336 -9.274 -28.465 1.00 73.31 C ATOM 641 NH1 ARG A 46 20.833 -8.128 -28.069 1.00 52.41 N ATOM 642 NH2 ARG A 46 19.109 -9.296 -28.897 1.00 44.11 N ATOM 0 H ARG A 46 21.121 -12.556 -24.438 1.00 33.51 H new ATOM 0 HA ARG A 46 23.586 -11.143 -24.247 1.00 24.20 H new ATOM 0 HB2 ARG A 46 20.957 -10.508 -25.590 1.00 24.44 H new ATOM 0 HB3 ARG A 46 22.339 -9.433 -25.659 1.00 24.44 H new ATOM 0 HG2 ARG A 46 23.666 -11.476 -26.538 1.00 53.40 H new ATOM 0 HG3 ARG A 46 22.105 -12.240 -26.769 1.00 53.40 H new ATOM 0 HD2 ARG A 46 22.892 -9.549 -27.965 1.00 54.31 H new ATOM 0 HD3 ARG A 46 22.998 -11.076 -28.820 1.00 54.31 H new ATOM 0 HE ARG A 46 20.556 -11.256 -28.763 1.00 73.20 H new ATOM 0 HH11 ARG A 46 21.796 -8.077 -27.736 1.00 52.41 H new ATOM 0 HH12 ARG A 46 20.257 -7.287 -28.093 1.00 52.41 H new ATOM 0 HH21 ARG A 46 18.699 -10.171 -29.223 1.00 44.11 H new ATOM 0 HH22 ARG A 46 18.557 -8.438 -28.910 1.00 44.11 H new ATOM 656 N LEU A 47 21.052 -10.074 -22.471 1.00 11.21 N ATOM 657 CA LEU A 47 20.654 -9.178 -21.392 1.00 53.30 C ATOM 658 C LEU A 47 21.620 -9.310 -20.218 1.00 45.55 C ATOM 659 O LEU A 47 22.036 -8.305 -19.652 1.00 41.42 O ATOM 660 CB LEU A 47 19.188 -9.481 -21.010 1.00 74.51 C ATOM 661 CG LEU A 47 18.408 -8.661 -19.957 1.00 13.44 C ATOM 662 CD1 LEU A 47 18.561 -9.312 -18.605 1.00 34.42 C ATOM 663 CD2 LEU A 47 18.810 -7.192 -19.877 1.00 62.12 C ATOM 0 H LEU A 47 20.366 -10.798 -22.683 1.00 11.21 H new ATOM 0 HA LEU A 47 20.704 -8.137 -21.713 1.00 53.30 H new ATOM 0 HB2 LEU A 47 18.610 -9.429 -21.933 1.00 74.51 H new ATOM 0 HB3 LEU A 47 19.163 -10.518 -20.676 1.00 74.51 H new ATOM 0 HG LEU A 47 17.366 -8.662 -20.278 1.00 13.44 H new ATOM 0 HD11 LEU A 47 18.012 -8.736 -17.860 1.00 34.42 H new ATOM 0 HD12 LEU A 47 18.165 -10.327 -18.643 1.00 34.42 H new ATOM 0 HD13 LEU A 47 19.616 -9.344 -18.334 1.00 34.42 H new ATOM 0 HD21 LEU A 47 18.213 -6.693 -19.114 1.00 62.12 H new ATOM 0 HD22 LEU A 47 19.866 -7.117 -19.618 1.00 62.12 H new ATOM 0 HD23 LEU A 47 18.638 -6.715 -20.842 1.00 62.12 H new ATOM 675 N ILE A 48 22.047 -10.524 -19.907 1.00 75.30 N ATOM 676 CA ILE A 48 23.021 -10.721 -18.830 1.00 53.42 C ATOM 677 C ILE A 48 24.317 -9.995 -19.197 1.00 71.34 C ATOM 678 O ILE A 48 24.886 -9.265 -18.386 1.00 32.25 O ATOM 679 CB ILE A 48 23.338 -12.232 -18.560 1.00 21.34 C ATOM 680 CG1 ILE A 48 22.020 -13.004 -18.336 1.00 52.33 C ATOM 681 CG2 ILE A 48 24.283 -12.354 -17.322 1.00 22.13 C ATOM 682 CD1 ILE A 48 22.190 -14.491 -17.996 1.00 33.03 C ATOM 0 H ILE A 48 21.744 -11.379 -20.373 1.00 75.30 H new ATOM 0 HA ILE A 48 22.584 -10.317 -17.917 1.00 53.42 H new ATOM 0 HB ILE A 48 23.846 -12.666 -19.421 1.00 21.34 H new ATOM 0 HG12 ILE A 48 21.467 -12.523 -17.529 1.00 52.33 H new ATOM 0 HG13 ILE A 48 21.410 -12.920 -19.235 1.00 52.33 H new ATOM 0 HG21 ILE A 48 24.503 -13.405 -17.135 1.00 22.13 H new ATOM 0 HG22 ILE A 48 25.212 -11.818 -17.519 1.00 22.13 H new ATOM 0 HG23 ILE A 48 23.794 -11.924 -16.448 1.00 22.13 H new ATOM 0 HD11 ILE A 48 21.210 -14.947 -17.857 1.00 33.03 H new ATOM 0 HD12 ILE A 48 22.711 -14.993 -18.811 1.00 33.03 H new ATOM 0 HD13 ILE A 48 22.770 -14.590 -17.078 1.00 33.03 H new ATOM 694 N ALA A 49 24.760 -10.171 -20.433 1.00 34.32 N ATOM 695 CA ALA A 49 25.991 -9.551 -20.901 1.00 62.54 C ATOM 696 C ALA A 49 25.901 -8.026 -20.894 1.00 51.22 C ATOM 697 O ALA A 49 26.804 -7.349 -20.419 1.00 5.20 O ATOM 698 CB ALA A 49 26.320 -10.066 -22.304 1.00 33.20 C ATOM 0 H ALA A 49 24.283 -10.740 -21.132 1.00 34.32 H new ATOM 0 HA ALA A 49 26.792 -9.825 -20.215 1.00 62.54 H new ATOM 0 HB1 ALA A 49 27.242 -9.602 -22.655 1.00 33.20 H new ATOM 0 HB2 ALA A 49 26.447 -11.148 -22.274 1.00 33.20 H new ATOM 0 HB3 ALA A 49 25.506 -9.815 -22.984 1.00 33.20 H new ATOM 704 N ARG A 50 24.800 -7.466 -21.378 1.00 52.42 N ATOM 705 CA ARG A 50 24.658 -5.999 -21.418 1.00 54.14 C ATOM 706 C ARG A 50 24.654 -5.410 -20.028 1.00 65.34 C ATOM 707 O ARG A 50 25.301 -4.405 -19.794 1.00 32.02 O ATOM 708 CB ARG A 50 23.329 -5.609 -22.100 1.00 72.31 C ATOM 709 CG ARG A 50 23.307 -5.744 -23.617 1.00 41.52 C ATOM 710 CD ARG A 50 24.133 -4.653 -24.326 1.00 62.41 C ATOM 711 NE ARG A 50 23.658 -3.279 -24.035 1.00 35.12 N ATOM 712 CZ ARG A 50 24.420 -2.277 -23.604 1.00 21.10 C ATOM 713 NH1 ARG A 50 25.706 -2.407 -23.390 1.00 44.34 N ATOM 714 NH2 ARG A 50 23.877 -1.124 -23.376 1.00 74.40 N ATOM 0 H ARG A 50 24.002 -7.985 -21.744 1.00 52.42 H new ATOM 0 HA ARG A 50 25.508 -5.609 -21.978 1.00 54.14 H new ATOM 0 HB2 ARG A 50 22.533 -6.228 -21.686 1.00 72.31 H new ATOM 0 HB3 ARG A 50 23.097 -4.576 -21.841 1.00 72.31 H new ATOM 0 HG2 ARG A 50 23.694 -6.724 -23.896 1.00 41.52 H new ATOM 0 HG3 ARG A 50 22.276 -5.697 -23.966 1.00 41.52 H new ATOM 0 HD2 ARG A 50 25.176 -4.742 -24.023 1.00 62.41 H new ATOM 0 HD3 ARG A 50 24.098 -4.822 -25.402 1.00 62.41 H new ATOM 0 HE ARG A 50 22.666 -3.086 -24.177 1.00 35.12 H new ATOM 0 HH11 ARG A 50 26.162 -3.304 -23.554 1.00 44.34 H new ATOM 0 HH12 ARG A 50 26.251 -1.611 -23.059 1.00 44.34 H new ATOM 0 HH21 ARG A 50 22.877 -0.992 -23.527 1.00 74.40 H new ATOM 0 HH22 ARG A 50 24.449 -0.347 -23.045 1.00 74.40 H new ATOM 728 N ILE A 51 23.985 -6.066 -19.095 1.00 1.11 N ATOM 729 CA ILE A 51 23.997 -5.609 -17.706 1.00 43.22 C ATOM 730 C ILE A 51 25.436 -5.662 -17.172 1.00 60.10 C ATOM 731 O ILE A 51 25.875 -4.747 -16.478 1.00 71.41 O ATOM 732 CB ILE A 51 23.047 -6.461 -16.813 1.00 22.52 C ATOM 733 CG1 ILE A 51 21.574 -6.170 -17.187 1.00 61.25 C ATOM 734 CG2 ILE A 51 23.257 -6.142 -15.319 1.00 24.24 C ATOM 735 CD1 ILE A 51 20.566 -7.185 -16.627 1.00 2.51 C ATOM 0 H ILE A 51 23.432 -6.906 -19.265 1.00 1.11 H new ATOM 0 HA ILE A 51 23.631 -4.583 -17.673 1.00 43.22 H new ATOM 0 HB ILE A 51 23.277 -7.513 -16.985 1.00 22.52 H new ATOM 0 HG12 ILE A 51 21.309 -5.176 -16.826 1.00 61.25 H new ATOM 0 HG13 ILE A 51 21.485 -6.149 -18.273 1.00 61.25 H new ATOM 0 HG21 ILE A 51 22.581 -6.751 -14.718 1.00 24.24 H new ATOM 0 HG22 ILE A 51 24.288 -6.363 -15.041 1.00 24.24 H new ATOM 0 HG23 ILE A 51 23.051 -5.087 -15.140 1.00 24.24 H new ATOM 0 HD11 ILE A 51 19.559 -6.906 -16.936 1.00 2.51 H new ATOM 0 HD12 ILE A 51 20.801 -8.179 -17.008 1.00 2.51 H new ATOM 0 HD13 ILE A 51 20.622 -7.191 -15.538 1.00 2.51 H new ATOM 747 N ARG A 52 26.186 -6.701 -17.507 1.00 72.13 N ATOM 748 CA ARG A 52 27.571 -6.801 -17.045 1.00 41.24 C ATOM 749 C ARG A 52 28.418 -5.698 -17.663 1.00 42.44 C ATOM 750 O ARG A 52 29.215 -5.078 -16.980 1.00 24.23 O ATOM 751 CB ARG A 52 28.149 -8.180 -17.383 1.00 73.30 C ATOM 752 CG ARG A 52 29.288 -8.650 -16.452 1.00 34.23 C ATOM 753 CD ARG A 52 30.632 -7.927 -16.645 1.00 32.42 C ATOM 754 NE ARG A 52 31.098 -7.924 -18.043 1.00 1.13 N ATOM 755 CZ ARG A 52 32.369 -7.943 -18.432 1.00 52.34 C ATOM 756 NH1 ARG A 52 33.369 -7.986 -17.586 1.00 30.21 N ATOM 757 NH2 ARG A 52 32.632 -7.911 -19.707 1.00 52.25 N ATOM 0 H ARG A 52 25.870 -7.478 -18.088 1.00 72.13 H new ATOM 0 HA ARG A 52 27.586 -6.679 -15.962 1.00 41.24 H new ATOM 0 HB2 ARG A 52 27.344 -8.914 -17.349 1.00 73.30 H new ATOM 0 HB3 ARG A 52 28.520 -8.162 -18.408 1.00 73.30 H new ATOM 0 HG2 ARG A 52 28.968 -8.519 -15.418 1.00 34.23 H new ATOM 0 HG3 ARG A 52 29.443 -9.718 -16.605 1.00 34.23 H new ATOM 0 HD2 ARG A 52 30.536 -6.898 -16.299 1.00 32.42 H new ATOM 0 HD3 ARG A 52 31.386 -8.404 -16.019 1.00 32.42 H new ATOM 0 HE ARG A 52 30.386 -7.906 -18.773 1.00 1.13 H new ATOM 0 HH11 ARG A 52 33.188 -8.006 -16.582 1.00 30.21 H new ATOM 0 HH12 ARG A 52 34.329 -7.999 -17.931 1.00 30.21 H new ATOM 0 HH21 ARG A 52 31.870 -7.872 -20.384 1.00 52.25 H new ATOM 0 HH22 ARG A 52 33.600 -7.925 -20.029 1.00 52.25 H new ATOM 771 N GLU A 53 28.234 -5.443 -18.943 1.00 61.53 N ATOM 772 CA GLU A 53 29.008 -4.430 -19.648 1.00 21.42 C ATOM 773 C GLU A 53 28.747 -3.022 -19.129 1.00 0.42 C ATOM 774 O GLU A 53 29.665 -2.205 -19.073 1.00 64.03 O ATOM 775 CB GLU A 53 28.672 -4.483 -21.145 1.00 13.03 C ATOM 776 CG GLU A 53 29.646 -5.326 -21.977 1.00 11.01 C ATOM 777 CD GLU A 53 29.513 -6.833 -21.729 1.00 52.13 C ATOM 778 OE1 GLU A 53 30.092 -7.327 -20.723 1.00 2.34 O ATOM 779 OE2 GLU A 53 28.926 -7.534 -22.572 1.00 41.25 O ATOM 0 H GLU A 53 27.549 -5.926 -19.524 1.00 61.53 H new ATOM 0 HA GLU A 53 30.061 -4.652 -19.476 1.00 21.42 H new ATOM 0 HB2 GLU A 53 27.666 -4.885 -21.266 1.00 13.03 H new ATOM 0 HB3 GLU A 53 28.659 -3.467 -21.540 1.00 13.03 H new ATOM 0 HG2 GLU A 53 29.478 -5.123 -23.035 1.00 11.01 H new ATOM 0 HG3 GLU A 53 30.667 -5.017 -21.751 1.00 11.01 H new ATOM 786 N GLU A 54 27.509 -2.731 -18.760 1.00 44.14 N ATOM 787 CA GLU A 54 27.138 -1.383 -18.304 1.00 70.32 C ATOM 788 C GLU A 54 27.291 -1.157 -16.799 1.00 3.44 C ATOM 789 O GLU A 54 27.692 -0.087 -16.368 1.00 34.55 O ATOM 790 CB GLU A 54 25.655 -1.121 -18.658 1.00 42.34 C ATOM 791 CG GLU A 54 25.361 -1.080 -20.154 1.00 23.12 C ATOM 792 CD GLU A 54 25.956 0.120 -20.872 1.00 11.21 C ATOM 793 OE1 GLU A 54 26.005 1.220 -20.282 1.00 3.33 O ATOM 794 OE2 GLU A 54 26.312 -0.026 -22.061 1.00 72.33 O ATOM 0 H GLU A 54 26.740 -3.402 -18.764 1.00 44.14 H new ATOM 0 HA GLU A 54 27.825 -0.704 -18.808 1.00 70.32 H new ATOM 0 HB2 GLU A 54 25.042 -1.898 -18.201 1.00 42.34 H new ATOM 0 HB3 GLU A 54 25.350 -0.173 -18.214 1.00 42.34 H new ATOM 0 HG2 GLU A 54 25.744 -1.991 -20.613 1.00 23.12 H new ATOM 0 HG3 GLU A 54 24.281 -1.079 -20.301 1.00 23.12 H new ATOM 801 N LEU A 55 26.913 -2.141 -15.990 1.00 71.11 N ATOM 802 CA LEU A 55 26.891 -1.976 -14.532 1.00 41.53 C ATOM 803 C LEU A 55 28.040 -2.718 -13.829 1.00 42.30 C ATOM 804 O LEU A 55 28.292 -2.495 -12.651 1.00 4.24 O ATOM 805 CB LEU A 55 25.560 -2.493 -13.977 1.00 53.32 C ATOM 806 CG LEU A 55 24.439 -1.469 -13.777 1.00 3.42 C ATOM 807 CD1 LEU A 55 24.739 -0.560 -12.580 1.00 3.14 C ATOM 808 CD2 LEU A 55 24.174 -0.611 -15.020 1.00 14.13 C ATOM 0 H LEU A 55 26.617 -3.062 -16.314 1.00 71.11 H new ATOM 0 HA LEU A 55 27.013 -0.911 -14.333 1.00 41.53 H new ATOM 0 HB2 LEU A 55 25.193 -3.269 -14.649 1.00 53.32 H new ATOM 0 HB3 LEU A 55 25.757 -2.970 -13.017 1.00 53.32 H new ATOM 0 HG LEU A 55 23.536 -2.048 -13.585 1.00 3.42 H new ATOM 0 HD11 LEU A 55 23.929 0.159 -12.457 1.00 3.14 H new ATOM 0 HD12 LEU A 55 24.827 -1.164 -11.677 1.00 3.14 H new ATOM 0 HD13 LEU A 55 25.674 -0.027 -12.753 1.00 3.14 H new ATOM 0 HD21 LEU A 55 23.369 0.093 -14.811 1.00 14.13 H new ATOM 0 HD22 LEU A 55 25.078 -0.061 -15.282 1.00 14.13 H new ATOM 0 HD23 LEU A 55 23.887 -1.254 -15.852 1.00 14.13 H new ATOM 820 N GLY A 56 28.715 -3.608 -14.545 1.00 3.11 N ATOM 821 CA GLY A 56 29.833 -4.349 -13.976 1.00 63.34 C ATOM 822 C GLY A 56 29.398 -5.493 -13.076 1.00 61.54 C ATOM 823 O GLY A 56 30.179 -5.978 -12.254 1.00 73.42 O ATOM 0 H GLY A 56 28.509 -3.834 -15.518 1.00 3.11 H new ATOM 0 HA2 GLY A 56 30.447 -4.745 -14.785 1.00 63.34 H new ATOM 0 HA3 GLY A 56 30.461 -3.665 -13.405 1.00 63.34 H new ATOM 827 N VAL A 57 28.145 -5.915 -13.205 1.00 63.34 N ATOM 828 CA VAL A 57 27.592 -6.925 -12.299 1.00 54.23 C ATOM 829 C VAL A 57 27.094 -8.162 -13.075 1.00 63.44 C ATOM 830 O VAL A 57 26.685 -8.064 -14.238 1.00 23.31 O ATOM 831 CB VAL A 57 26.383 -6.320 -11.482 1.00 24.03 C ATOM 832 CG1 VAL A 57 26.928 -5.169 -10.589 1.00 10.23 C ATOM 833 CG2 VAL A 57 25.280 -5.853 -12.393 1.00 62.03 C ATOM 0 H VAL A 57 27.497 -5.581 -13.918 1.00 63.34 H new ATOM 0 HA VAL A 57 28.390 -7.229 -11.621 1.00 54.23 H new ATOM 0 HB VAL A 57 25.941 -7.090 -10.849 1.00 24.03 H new ATOM 0 HG11 VAL A 57 26.109 -4.735 -10.015 1.00 10.23 H new ATOM 0 HG12 VAL A 57 27.681 -5.563 -9.907 1.00 10.23 H new ATOM 0 HG13 VAL A 57 27.376 -4.401 -11.219 1.00 10.23 H new ATOM 0 HG21 VAL A 57 24.465 -5.443 -11.797 1.00 62.03 H new ATOM 0 HG22 VAL A 57 25.663 -5.083 -13.063 1.00 62.03 H new ATOM 0 HG23 VAL A 57 24.912 -6.695 -12.980 1.00 62.03 H new ATOM 843 N ASP A 58 27.152 -9.314 -12.447 1.00 62.25 N ATOM 844 CA ASP A 58 26.723 -10.577 -13.061 1.00 73.42 C ATOM 845 C ASP A 58 25.595 -11.187 -12.248 1.00 23.13 C ATOM 846 O ASP A 58 25.589 -11.114 -11.013 1.00 71.51 O ATOM 847 CB ASP A 58 27.888 -11.568 -13.113 1.00 24.13 C ATOM 848 CG ASP A 58 27.422 -13.016 -13.186 1.00 71.53 C ATOM 849 OD1 ASP A 58 26.901 -13.435 -14.241 1.00 45.11 O ATOM 850 OD2 ASP A 58 27.490 -13.707 -12.140 1.00 64.42 O ATOM 0 H ASP A 58 27.497 -9.416 -11.493 1.00 62.25 H new ATOM 0 HA ASP A 58 26.381 -10.368 -14.075 1.00 73.42 H new ATOM 0 HB2 ASP A 58 28.510 -11.346 -13.980 1.00 24.13 H new ATOM 0 HB3 ASP A 58 28.513 -11.435 -12.230 1.00 24.13 H new ATOM 855 N LEU A 59 24.660 -11.819 -12.936 1.00 52.41 N ATOM 856 CA LEU A 59 23.557 -12.530 -12.311 1.00 72.14 C ATOM 857 C LEU A 59 23.266 -13.759 -13.170 1.00 45.13 C ATOM 858 O LEU A 59 23.007 -13.632 -14.366 1.00 52.41 O ATOM 859 CB LEU A 59 22.318 -11.627 -12.232 1.00 3.33 C ATOM 860 CG LEU A 59 21.123 -12.270 -11.516 1.00 12.53 C ATOM 861 CD1 LEU A 59 20.737 -11.432 -10.299 1.00 3.24 C ATOM 862 CD2 LEU A 59 19.941 -12.410 -12.462 1.00 52.55 C ATOM 0 H LEU A 59 24.645 -11.854 -13.955 1.00 52.41 H new ATOM 0 HA LEU A 59 23.815 -12.825 -11.294 1.00 72.14 H new ATOM 0 HB2 LEU A 59 22.585 -10.705 -11.715 1.00 3.33 H new ATOM 0 HB3 LEU A 59 22.017 -11.350 -13.243 1.00 3.33 H new ATOM 0 HG LEU A 59 21.409 -13.268 -11.183 1.00 12.53 H new ATOM 0 HD11 LEU A 59 19.888 -11.893 -9.794 1.00 3.24 H new ATOM 0 HD12 LEU A 59 21.582 -11.377 -9.612 1.00 3.24 H new ATOM 0 HD13 LEU A 59 20.466 -10.427 -10.621 1.00 3.24 H new ATOM 0 HD21 LEU A 59 19.105 -12.868 -11.934 1.00 52.55 H new ATOM 0 HD22 LEU A 59 19.646 -11.425 -12.824 1.00 52.55 H new ATOM 0 HD23 LEU A 59 20.224 -13.037 -13.307 1.00 52.55 H new ATOM 874 N PRO A 60 23.341 -14.975 -12.593 1.00 25.34 N ATOM 875 CA PRO A 60 23.135 -16.121 -13.488 1.00 52.45 C ATOM 876 C PRO A 60 21.696 -16.271 -13.962 1.00 20.42 C ATOM 877 O PRO A 60 20.752 -15.877 -13.277 1.00 12.51 O ATOM 878 CB PRO A 60 23.553 -17.310 -12.623 1.00 32.35 C ATOM 879 CG PRO A 60 23.237 -16.880 -11.241 1.00 41.34 C ATOM 880 CD PRO A 60 23.623 -15.419 -11.214 1.00 33.44 C ATOM 0 HA PRO A 60 23.704 -16.018 -14.412 1.00 52.45 H new ATOM 0 HB2 PRO A 60 23.006 -18.213 -12.895 1.00 32.35 H new ATOM 0 HB3 PRO A 60 24.614 -17.534 -12.738 1.00 32.35 H new ATOM 0 HG2 PRO A 60 22.180 -17.018 -11.012 1.00 41.34 H new ATOM 0 HG3 PRO A 60 23.800 -17.455 -10.506 1.00 41.34 H new ATOM 0 HD2 PRO A 60 23.038 -14.861 -10.483 1.00 33.44 H new ATOM 0 HD3 PRO A 60 24.673 -15.284 -10.953 1.00 33.44 H new ATOM 888 N ILE A 61 21.525 -16.919 -15.107 1.00 34.50 N ATOM 889 CA ILE A 61 20.193 -17.166 -15.681 1.00 42.02 C ATOM 890 C ILE A 61 19.299 -17.962 -14.713 1.00 3.43 C ATOM 891 O ILE A 61 18.085 -17.830 -14.720 1.00 44.12 O ATOM 892 CB ILE A 61 20.332 -17.897 -17.073 1.00 43.30 C ATOM 893 CG1 ILE A 61 19.013 -17.855 -17.874 1.00 71.20 C ATOM 894 CG2 ILE A 61 20.789 -19.371 -16.900 1.00 4.54 C ATOM 895 CD1 ILE A 61 18.632 -16.463 -18.415 1.00 3.34 C ATOM 0 H ILE A 61 22.294 -17.289 -15.666 1.00 34.50 H new ATOM 0 HA ILE A 61 19.705 -16.205 -15.843 1.00 42.02 H new ATOM 0 HB ILE A 61 21.096 -17.356 -17.632 1.00 43.30 H new ATOM 0 HG12 ILE A 61 19.091 -18.547 -18.713 1.00 71.20 H new ATOM 0 HG13 ILE A 61 18.205 -18.216 -17.237 1.00 71.20 H new ATOM 0 HG21 ILE A 61 20.874 -19.843 -17.879 1.00 4.54 H new ATOM 0 HG22 ILE A 61 21.757 -19.395 -16.400 1.00 4.54 H new ATOM 0 HG23 ILE A 61 20.057 -19.911 -16.299 1.00 4.54 H new ATOM 0 HD11 ILE A 61 17.693 -16.531 -18.964 1.00 3.34 H new ATOM 0 HD12 ILE A 61 18.517 -15.768 -17.583 1.00 3.34 H new ATOM 0 HD13 ILE A 61 19.416 -16.104 -19.081 1.00 3.34 H new ATOM 907 N ARG A 62 19.924 -18.715 -13.813 1.00 73.14 N ATOM 908 CA ARG A 62 19.189 -19.470 -12.796 1.00 51.22 C ATOM 909 C ARG A 62 18.411 -18.551 -11.862 1.00 43.14 C ATOM 910 O ARG A 62 17.313 -18.876 -11.455 1.00 74.32 O ATOM 911 CB ARG A 62 20.161 -20.329 -11.966 1.00 63.31 C ATOM 912 CG ARG A 62 20.858 -21.416 -12.775 1.00 13.12 C ATOM 913 CD ARG A 62 21.717 -22.331 -11.886 1.00 70.23 C ATOM 914 NE ARG A 62 22.915 -21.648 -11.360 1.00 32.11 N ATOM 915 CZ ARG A 62 23.158 -21.374 -10.080 1.00 33.20 C ATOM 916 NH1 ARG A 62 22.323 -21.683 -9.116 1.00 4.42 N ATOM 917 NH2 ARG A 62 24.279 -20.785 -9.760 1.00 3.43 N ATOM 0 H ARG A 62 20.937 -18.821 -13.765 1.00 73.14 H new ATOM 0 HA ARG A 62 18.478 -20.110 -13.318 1.00 51.22 H new ATOM 0 HB2 ARG A 62 20.915 -19.681 -11.519 1.00 63.31 H new ATOM 0 HB3 ARG A 62 19.613 -20.793 -11.146 1.00 63.31 H new ATOM 0 HG2 ARG A 62 20.112 -22.014 -13.298 1.00 13.12 H new ATOM 0 HG3 ARG A 62 21.487 -20.955 -13.536 1.00 13.12 H new ATOM 0 HD2 ARG A 62 21.114 -22.692 -11.053 1.00 70.23 H new ATOM 0 HD3 ARG A 62 22.024 -23.205 -12.460 1.00 70.23 H new ATOM 0 HE ARG A 62 23.620 -21.360 -12.038 1.00 32.11 H new ATOM 0 HH11 ARG A 62 21.444 -22.153 -9.334 1.00 4.42 H new ATOM 0 HH12 ARG A 62 22.553 -21.453 -8.149 1.00 4.42 H new ATOM 0 HH21 ARG A 62 24.953 -20.542 -10.486 1.00 3.43 H new ATOM 0 HH22 ARG A 62 24.481 -20.568 -8.784 1.00 3.43 H new ATOM 931 N GLN A 63 18.983 -17.401 -11.550 1.00 32.10 N ATOM 932 CA GLN A 63 18.316 -16.415 -10.714 1.00 33.42 C ATOM 933 C GLN A 63 17.309 -15.636 -11.540 1.00 2.11 C ATOM 934 O GLN A 63 16.221 -15.336 -11.071 1.00 52.02 O ATOM 935 CB GLN A 63 19.326 -15.453 -10.094 1.00 63.33 C ATOM 936 CG GLN A 63 20.000 -16.014 -8.853 1.00 31.31 C ATOM 937 CD GLN A 63 19.030 -16.119 -7.688 1.00 50.50 C ATOM 938 OE1 GLN A 63 18.444 -15.143 -7.279 1.00 21.01 O ATOM 939 NE2 GLN A 63 18.846 -17.312 -7.176 1.00 34.21 N ATOM 0 H GLN A 63 19.913 -17.125 -11.865 1.00 32.10 H new ATOM 0 HA GLN A 63 17.801 -16.940 -9.910 1.00 33.42 H new ATOM 0 HB2 GLN A 63 20.088 -15.208 -10.834 1.00 63.33 H new ATOM 0 HB3 GLN A 63 18.821 -14.522 -9.836 1.00 63.33 H new ATOM 0 HG2 GLN A 63 20.411 -16.999 -9.075 1.00 31.31 H new ATOM 0 HG3 GLN A 63 20.838 -15.375 -8.573 1.00 31.31 H new ATOM 0 HE21 GLN A 63 19.359 -18.111 -7.548 1.00 34.21 H new ATOM 0 HE22 GLN A 63 18.190 -17.441 -6.406 1.00 34.21 H new ATOM 948 N LEU A 64 17.662 -15.337 -12.779 1.00 12.32 N ATOM 949 CA LEU A 64 16.792 -14.575 -13.681 1.00 42.50 C ATOM 950 C LEU A 64 15.457 -15.282 -13.915 1.00 14.53 C ATOM 951 O LEU A 64 14.430 -14.638 -14.034 1.00 22.15 O ATOM 952 CB LEU A 64 17.514 -14.342 -15.006 1.00 45.41 C ATOM 953 CG LEU A 64 17.600 -12.873 -15.452 1.00 72.24 C ATOM 954 CD1 LEU A 64 18.598 -12.746 -16.593 1.00 10.31 C ATOM 955 CD2 LEU A 64 16.249 -12.333 -15.903 1.00 51.41 C ATOM 0 H LEU A 64 18.553 -15.610 -13.193 1.00 12.32 H new ATOM 0 HA LEU A 64 16.569 -13.617 -13.212 1.00 42.50 H new ATOM 0 HB2 LEU A 64 18.525 -14.741 -14.926 1.00 45.41 H new ATOM 0 HB3 LEU A 64 17.007 -14.913 -15.784 1.00 45.41 H new ATOM 0 HG LEU A 64 17.926 -12.286 -14.594 1.00 72.24 H new ATOM 0 HD11 LEU A 64 18.659 -11.705 -16.909 1.00 10.31 H new ATOM 0 HD12 LEU A 64 19.579 -13.081 -16.257 1.00 10.31 H new ATOM 0 HD13 LEU A 64 18.272 -13.361 -17.432 1.00 10.31 H new ATOM 0 HD21 LEU A 64 16.357 -11.292 -16.209 1.00 51.41 H new ATOM 0 HD22 LEU A 64 15.884 -12.923 -16.744 1.00 51.41 H new ATOM 0 HD23 LEU A 64 15.538 -12.397 -15.079 1.00 51.41 H new ATOM 967 N PHE A 65 15.463 -16.606 -13.930 1.00 73.54 N ATOM 968 CA PHE A 65 14.221 -17.368 -14.093 1.00 5.20 C ATOM 969 C PHE A 65 13.273 -17.138 -12.909 1.00 42.13 C ATOM 970 O PHE A 65 12.060 -17.137 -13.070 1.00 73.21 O ATOM 971 CB PHE A 65 14.532 -18.863 -14.225 1.00 64.20 C ATOM 972 CG PHE A 65 14.660 -19.338 -15.655 1.00 35.13 C ATOM 973 CD1 PHE A 65 15.484 -18.660 -16.578 1.00 45.24 C ATOM 974 CD2 PHE A 65 13.941 -20.469 -16.090 1.00 43.11 C ATOM 975 CE1 PHE A 65 15.588 -19.106 -17.921 1.00 44.42 C ATOM 976 CE2 PHE A 65 14.042 -20.924 -17.428 1.00 25.14 C ATOM 977 CZ PHE A 65 14.867 -20.240 -18.342 1.00 52.44 C ATOM 0 H PHE A 65 16.303 -17.177 -13.833 1.00 73.54 H new ATOM 0 HA PHE A 65 13.729 -17.020 -15.001 1.00 5.20 H new ATOM 0 HB2 PHE A 65 15.460 -19.079 -13.696 1.00 64.20 H new ATOM 0 HB3 PHE A 65 13.744 -19.433 -13.732 1.00 64.20 H new ATOM 0 HD1 PHE A 65 16.042 -17.792 -16.259 1.00 45.24 H new ATOM 0 HD2 PHE A 65 13.305 -20.996 -15.394 1.00 43.11 H new ATOM 0 HE1 PHE A 65 16.219 -18.577 -18.619 1.00 44.42 H new ATOM 0 HE2 PHE A 65 13.487 -21.794 -17.747 1.00 25.14 H new ATOM 0 HZ PHE A 65 14.946 -20.584 -19.363 1.00 52.44 H new ATOM 987 N SER A 66 13.833 -16.918 -11.729 1.00 3.00 N ATOM 988 CA SER A 66 13.042 -16.649 -10.524 1.00 33.52 C ATOM 989 C SER A 66 12.775 -15.153 -10.344 1.00 61.03 C ATOM 990 O SER A 66 12.050 -14.743 -9.438 1.00 72.43 O ATOM 991 CB SER A 66 13.797 -17.157 -9.299 1.00 22.02 C ATOM 992 OG SER A 66 14.161 -18.516 -9.466 1.00 21.23 O ATOM 0 H SER A 66 14.841 -16.919 -11.574 1.00 3.00 H new ATOM 0 HA SER A 66 12.086 -17.162 -10.634 1.00 33.52 H new ATOM 0 HB2 SER A 66 14.690 -16.553 -9.139 1.00 22.02 H new ATOM 0 HB3 SER A 66 13.175 -17.048 -8.411 1.00 22.02 H new ATOM 0 HG SER A 66 14.646 -18.825 -8.672 1.00 21.23 H new ATOM 998 N SER A 67 13.383 -14.341 -11.194 1.00 71.14 N ATOM 999 CA SER A 67 13.256 -12.886 -11.124 1.00 61.03 C ATOM 1000 C SER A 67 13.233 -12.275 -12.532 1.00 74.15 C ATOM 1001 O SER A 67 14.127 -11.537 -12.912 1.00 4.35 O ATOM 1002 CB SER A 67 14.413 -12.310 -10.306 1.00 43.54 C ATOM 1003 OG SER A 67 15.677 -12.720 -10.805 1.00 11.12 O ATOM 0 H SER A 67 13.980 -14.668 -11.954 1.00 71.14 H new ATOM 0 HA SER A 67 12.315 -12.635 -10.635 1.00 61.03 H new ATOM 0 HB2 SER A 67 14.356 -11.222 -10.315 1.00 43.54 H new ATOM 0 HB3 SER A 67 14.314 -12.626 -9.267 1.00 43.54 H new ATOM 0 HG SER A 67 15.789 -13.683 -10.661 1.00 11.12 H new ATOM 1009 N PRO A 68 12.196 -12.587 -13.331 1.00 71.35 N ATOM 1010 CA PRO A 68 12.211 -12.083 -14.709 1.00 20.12 C ATOM 1011 C PRO A 68 11.887 -10.600 -14.892 1.00 42.44 C ATOM 1012 O PRO A 68 11.893 -10.125 -16.012 1.00 50.14 O ATOM 1013 CB PRO A 68 11.143 -12.946 -15.384 1.00 23.11 C ATOM 1014 CG PRO A 68 10.156 -13.182 -14.306 1.00 11.34 C ATOM 1015 CD PRO A 68 11.013 -13.436 -13.093 1.00 64.10 C ATOM 0 HA PRO A 68 13.217 -12.151 -15.123 1.00 20.12 H new ATOM 0 HB2 PRO A 68 10.693 -12.435 -16.235 1.00 23.11 H new ATOM 0 HB3 PRO A 68 11.560 -13.881 -15.758 1.00 23.11 H new ATOM 0 HG2 PRO A 68 9.504 -12.320 -14.163 1.00 11.34 H new ATOM 0 HG3 PRO A 68 9.514 -14.034 -14.529 1.00 11.34 H new ATOM 0 HD2 PRO A 68 10.499 -13.161 -12.172 1.00 64.10 H new ATOM 0 HD3 PRO A 68 11.284 -14.488 -13.005 1.00 64.10 H new ATOM 1023 N THR A 69 11.584 -9.878 -13.821 1.00 24.12 N ATOM 1024 CA THR A 69 11.258 -8.451 -13.928 1.00 34.11 C ATOM 1025 C THR A 69 12.458 -7.601 -13.511 1.00 51.41 C ATOM 1026 O THR A 69 13.271 -8.055 -12.691 1.00 12.14 O ATOM 1027 CB THR A 69 10.094 -8.069 -12.980 1.00 13.23 C ATOM 1028 OG1 THR A 69 10.458 -8.342 -11.624 1.00 71.14 O ATOM 1029 CG2 THR A 69 8.847 -8.867 -13.277 1.00 61.02 C ATOM 0 H THR A 69 11.556 -10.249 -12.871 1.00 24.12 H new ATOM 0 HA THR A 69 10.981 -8.267 -14.966 1.00 34.11 H new ATOM 0 HB THR A 69 9.896 -7.008 -13.133 1.00 13.23 H new ATOM 0 HG1 THR A 69 9.718 -8.096 -11.031 1.00 71.14 H new ATOM 0 HG21 THR A 69 8.053 -8.570 -12.591 1.00 61.02 H new ATOM 0 HG22 THR A 69 8.530 -8.678 -14.303 1.00 61.02 H new ATOM 0 HG23 THR A 69 9.056 -9.929 -13.152 1.00 61.02 H new ATOM 1037 N PRO A 70 12.555 -6.345 -14.016 1.00 60.44 N ATOM 1038 CA PRO A 70 13.632 -5.495 -13.497 1.00 20.04 C ATOM 1039 C PRO A 70 13.687 -5.375 -11.972 1.00 23.41 C ATOM 1040 O PRO A 70 14.759 -5.332 -11.387 1.00 61.13 O ATOM 1041 CB PRO A 70 13.343 -4.131 -14.107 1.00 3.01 C ATOM 1042 CG PRO A 70 12.643 -4.477 -15.360 1.00 54.12 C ATOM 1043 CD PRO A 70 11.757 -5.631 -15.006 1.00 42.11 C ATOM 0 HA PRO A 70 14.598 -5.925 -13.760 1.00 20.04 H new ATOM 0 HB2 PRO A 70 12.723 -3.518 -13.453 1.00 3.01 H new ATOM 0 HB3 PRO A 70 14.258 -3.570 -14.296 1.00 3.01 H new ATOM 0 HG2 PRO A 70 12.062 -3.634 -15.733 1.00 54.12 H new ATOM 0 HG3 PRO A 70 13.350 -4.749 -16.144 1.00 54.12 H new ATOM 0 HD2 PRO A 70 10.803 -5.300 -14.597 1.00 42.11 H new ATOM 0 HD3 PRO A 70 11.534 -6.253 -15.873 1.00 42.11 H new ATOM 1051 N ALA A 71 12.533 -5.272 -11.331 1.00 44.33 N ATOM 1052 CA ALA A 71 12.523 -5.127 -9.901 1.00 63.25 C ATOM 1053 C ALA A 71 13.056 -6.382 -9.219 1.00 53.12 C ATOM 1054 O ALA A 71 13.795 -6.321 -8.229 1.00 31.40 O ATOM 1055 CB ALA A 71 11.068 -4.872 -9.421 1.00 42.33 C ATOM 0 H ALA A 71 11.615 -5.287 -11.775 1.00 44.33 H new ATOM 0 HA ALA A 71 13.165 -4.286 -9.637 1.00 63.25 H new ATOM 0 HB1 ALA A 71 11.057 -4.762 -8.337 1.00 42.33 H new ATOM 0 HB2 ALA A 71 10.687 -3.961 -9.883 1.00 42.33 H new ATOM 0 HB3 ALA A 71 10.438 -5.714 -9.706 1.00 42.33 H new ATOM 1061 N GLY A 72 12.773 -7.536 -9.827 1.00 52.11 N ATOM 1062 CA GLY A 72 13.235 -8.805 -9.278 1.00 4.04 C ATOM 1063 C GLY A 72 14.736 -8.926 -9.340 1.00 75.52 C ATOM 1064 O GLY A 72 15.367 -9.363 -8.379 1.00 22.44 O ATOM 0 H GLY A 72 12.233 -7.615 -10.689 1.00 52.11 H new ATOM 0 HA2 GLY A 72 12.905 -8.895 -8.243 1.00 4.04 H new ATOM 0 HA3 GLY A 72 12.781 -9.627 -9.830 1.00 4.04 H new ATOM 1068 N VAL A 73 15.309 -8.547 -10.467 1.00 44.30 N ATOM 1069 CA VAL A 73 16.754 -8.641 -10.657 1.00 3.22 C ATOM 1070 C VAL A 73 17.474 -7.663 -9.717 1.00 11.31 C ATOM 1071 O VAL A 73 18.505 -8.007 -9.145 1.00 64.24 O ATOM 1072 CB VAL A 73 17.139 -8.359 -12.142 1.00 53.44 C ATOM 1073 CG1 VAL A 73 18.663 -8.358 -12.342 1.00 61.51 C ATOM 1074 CG2 VAL A 73 16.512 -9.410 -13.059 1.00 32.54 C ATOM 0 H VAL A 73 14.801 -8.171 -11.267 1.00 44.30 H new ATOM 0 HA VAL A 73 17.069 -9.656 -10.415 1.00 3.22 H new ATOM 0 HB VAL A 73 16.757 -7.370 -12.395 1.00 53.44 H new ATOM 0 HG11 VAL A 73 18.892 -8.158 -13.389 1.00 61.51 H new ATOM 0 HG12 VAL A 73 19.111 -7.585 -11.718 1.00 61.51 H new ATOM 0 HG13 VAL A 73 19.067 -9.330 -12.061 1.00 61.51 H new ATOM 0 HG21 VAL A 73 16.788 -9.202 -14.093 1.00 32.54 H new ATOM 0 HG22 VAL A 73 16.873 -10.399 -12.779 1.00 32.54 H new ATOM 0 HG23 VAL A 73 15.427 -9.379 -12.960 1.00 32.54 H new ATOM 1084 N ALA A 74 16.938 -6.463 -9.527 1.00 33.45 N ATOM 1085 CA ALA A 74 17.592 -5.476 -8.667 1.00 21.01 C ATOM 1086 C ALA A 74 17.744 -5.957 -7.222 1.00 52.33 C ATOM 1087 O ALA A 74 18.809 -5.796 -6.622 1.00 14.34 O ATOM 1088 CB ALA A 74 16.817 -4.167 -8.691 1.00 73.34 C ATOM 0 H ALA A 74 16.064 -6.150 -9.949 1.00 33.45 H new ATOM 0 HA ALA A 74 18.595 -5.326 -9.066 1.00 21.01 H new ATOM 0 HB1 ALA A 74 17.312 -3.439 -8.048 1.00 73.34 H new ATOM 0 HB2 ALA A 74 16.781 -3.784 -9.711 1.00 73.34 H new ATOM 0 HB3 ALA A 74 15.802 -4.338 -8.331 1.00 73.34 H new ATOM 1094 N ARG A 75 16.694 -6.535 -6.650 1.00 25.21 N ATOM 1095 CA ARG A 75 16.765 -6.986 -5.256 1.00 64.42 C ATOM 1096 C ARG A 75 17.669 -8.205 -5.130 1.00 24.43 C ATOM 1097 O ARG A 75 18.380 -8.354 -4.144 1.00 30.34 O ATOM 1098 CB ARG A 75 15.363 -7.239 -4.703 1.00 4.14 C ATOM 1099 CG ARG A 75 14.552 -8.275 -5.444 1.00 3.51 C ATOM 1100 CD ARG A 75 13.126 -8.333 -4.927 1.00 12.01 C ATOM 1101 NE ARG A 75 12.362 -9.394 -5.606 1.00 32.32 N ATOM 1102 CZ ARG A 75 11.036 -9.481 -5.647 1.00 14.45 C ATOM 1103 NH1 ARG A 75 10.257 -8.587 -5.077 1.00 14.43 N ATOM 1104 NH2 ARG A 75 10.484 -10.481 -6.278 1.00 11.31 N ATOM 0 H ARG A 75 15.801 -6.702 -7.113 1.00 25.21 H new ATOM 0 HA ARG A 75 17.211 -6.197 -4.650 1.00 64.42 H new ATOM 0 HB2 ARG A 75 15.452 -7.548 -3.662 1.00 4.14 H new ATOM 0 HB3 ARG A 75 14.813 -6.298 -4.710 1.00 4.14 H new ATOM 0 HG2 ARG A 75 14.546 -8.042 -6.509 1.00 3.51 H new ATOM 0 HG3 ARG A 75 15.021 -9.253 -5.335 1.00 3.51 H new ATOM 0 HD2 ARG A 75 13.132 -8.515 -3.852 1.00 12.01 H new ATOM 0 HD3 ARG A 75 12.639 -7.371 -5.085 1.00 12.01 H new ATOM 0 HE ARG A 75 12.894 -10.121 -6.084 1.00 32.32 H new ATOM 0 HH11 ARG A 75 10.667 -7.794 -4.583 1.00 14.43 H new ATOM 0 HH12 ARG A 75 9.243 -8.687 -5.129 1.00 14.43 H new ATOM 0 HH21 ARG A 75 11.069 -11.183 -6.732 1.00 11.31 H new ATOM 0 HH22 ARG A 75 9.468 -10.561 -6.318 1.00 11.31 H new