USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 115:sc= 0.074 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0.0724 USER MOD Set 2.1: A 23 TYR OH : rot 67:sc=-0.00114 USER MOD Set 2.2: A 57 SER OG : rot -98:sc= 1.52 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -82:sc= 0.604 USER MOD Single : A 33 GLN : amide:sc= 0.867 K(o=0.87,f=-0.29) USER MOD Single : A 37 SER OG : rot 180:sc= 0.504 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.5!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -26:sc= 0.154 USER MOD Single : A 50 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.52) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0.648 (180deg=0.531) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0366) USER MOD Single : A 66 GLN : amide:sc= -0.528 K(o=-0.53,f=-2.2!) USER MOD Single : A 69 GLN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 129:sc= 1.24 (180deg=0.106) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 10.533 -5.017 8.667 1.00 0.00 N ATOM 153 CA TYR A 23 9.731 -4.466 7.587 1.00 0.00 C ATOM 154 C TYR A 23 8.866 -3.297 8.020 1.00 0.00 C ATOM 155 O TYR A 23 8.177 -3.461 9.025 1.00 0.00 O ATOM 156 CB TYR A 23 8.890 -5.599 6.997 1.00 0.00 C ATOM 157 CG TYR A 23 8.075 -5.204 5.787 1.00 0.00 C ATOM 158 CD1 TYR A 23 8.728 -4.690 4.666 1.00 0.00 C ATOM 159 CD2 TYR A 23 6.746 -5.600 5.637 1.00 0.00 C ATOM 160 CE1 TYR A 23 8.101 -4.469 3.432 1.00 0.00 C ATOM 161 CE2 TYR A 23 6.087 -5.470 4.402 1.00 0.00 C ATOM 162 CZ TYR A 23 6.754 -4.895 3.295 1.00 0.00 C ATOM 163 OH TYR A 23 6.031 -4.788 2.147 1.00 0.00 O ATOM 0 HA TYR A 23 10.400 -4.055 6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.551 -6.421 6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.216 -5.975 7.767 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.777 -4.449 4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.215 -6.013 6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.623 -3.992 2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.067 -5.811 4.298 1.00 0.00 H new ATOM 0 HH TYR A 23 6.414 -5.376 1.463 1.00 0.00 H new ATOM 173 N TYR A 24 8.816 -2.202 7.275 1.00 0.00 N ATOM 174 CA TYR A 24 8.108 -1.013 7.699 1.00 0.00 C ATOM 175 C TYR A 24 6.598 -1.239 7.809 1.00 0.00 C ATOM 176 O TYR A 24 5.977 -1.911 6.984 1.00 0.00 O ATOM 177 CB TYR A 24 8.516 0.078 6.710 1.00 0.00 C ATOM 178 CG TYR A 24 7.564 1.233 6.588 1.00 0.00 C ATOM 179 CD1 TYR A 24 7.592 2.302 7.495 1.00 0.00 C ATOM 180 CD2 TYR A 24 6.754 1.356 5.448 1.00 0.00 C ATOM 181 CE1 TYR A 24 6.858 3.466 7.225 1.00 0.00 C ATOM 182 CE2 TYR A 24 5.943 2.476 5.246 1.00 0.00 C ATOM 183 CZ TYR A 24 6.012 3.573 6.122 1.00 0.00 C ATOM 184 OH TYR A 24 5.368 4.705 5.708 1.00 0.00 O ATOM 0 H TYR A 24 9.265 -2.117 6.363 1.00 0.00 H new ATOM 0 HA TYR A 24 8.377 -0.715 8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.492 0.464 7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.637 -0.375 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.178 2.229 8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.758 0.567 4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.951 4.308 7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.258 2.499 4.411 1.00 0.00 H new ATOM 0 HH TYR A 24 4.838 4.506 4.908 1.00 0.00 H new ATOM 194 N LYS A 25 6.004 -0.575 8.792 1.00 0.00 N ATOM 195 CA LYS A 25 4.724 -0.876 9.387 1.00 0.00 C ATOM 196 C LYS A 25 3.445 -0.472 8.653 1.00 0.00 C ATOM 197 O LYS A 25 2.389 -1.084 8.735 1.00 0.00 O ATOM 198 CB LYS A 25 4.662 -0.267 10.794 1.00 0.00 C ATOM 199 CG LYS A 25 5.611 -0.866 11.822 1.00 0.00 C ATOM 200 CD LYS A 25 5.560 -0.213 13.189 1.00 0.00 C ATOM 201 CE LYS A 25 6.527 -1.034 14.035 1.00 0.00 C ATOM 202 NZ LYS A 25 6.363 -0.642 15.443 1.00 0.00 N ATOM 0 H LYS A 25 6.440 0.243 9.218 1.00 0.00 H new ATOM 0 HA LYS A 25 4.712 -1.965 9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.869 0.800 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.643 -0.368 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.383 -1.926 11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.629 -0.797 11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.862 0.833 13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.552 -0.235 13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.328 -2.099 13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.554 -0.862 13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.016 -1.193 16.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.572 0.371 15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.384 -0.826 15.743 1.00 0.00 H new ATOM 216 N ILE A 26 3.477 0.592 7.858 1.00 0.00 N ATOM 217 CA ILE A 26 2.201 1.066 7.364 1.00 0.00 C ATOM 218 C ILE A 26 1.757 0.164 6.228 1.00 0.00 C ATOM 219 O ILE A 26 0.570 -0.154 6.147 1.00 0.00 O ATOM 220 CB ILE A 26 2.317 2.538 6.965 1.00 0.00 C ATOM 221 CG1 ILE A 26 2.492 3.528 8.114 1.00 0.00 C ATOM 222 CG2 ILE A 26 1.065 3.044 6.273 1.00 0.00 C ATOM 223 CD1 ILE A 26 3.615 3.315 9.135 1.00 0.00 C ATOM 0 H ILE A 26 4.307 1.106 7.562 1.00 0.00 H new ATOM 0 HA ILE A 26 1.433 1.019 8.136 1.00 0.00 H new ATOM 0 HB ILE A 26 3.206 2.516 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.634 4.515 7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.552 3.557 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.194 4.094 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.888 2.461 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.212 2.941 6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.588 4.113 9.877 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.479 2.354 9.630 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.578 3.327 8.624 1.00 0.00 H new ATOM 235 N ILE A 27 2.649 -0.027 5.257 1.00 0.00 N ATOM 236 CA ILE A 27 2.316 -0.904 4.149 1.00 0.00 C ATOM 237 C ILE A 27 1.868 -2.295 4.565 1.00 0.00 C ATOM 238 O ILE A 27 0.924 -2.786 3.952 1.00 0.00 O ATOM 239 CB ILE A 27 3.480 -0.857 3.174 1.00 0.00 C ATOM 240 CG1 ILE A 27 4.797 -1.092 3.913 1.00 0.00 C ATOM 241 CG2 ILE A 27 3.550 0.492 2.486 1.00 0.00 C ATOM 242 CD1 ILE A 27 5.969 -1.081 2.941 1.00 0.00 C ATOM 0 H ILE A 27 3.575 0.399 5.218 1.00 0.00 H new ATOM 0 HA ILE A 27 1.419 -0.545 3.643 1.00 0.00 H new ATOM 0 HB ILE A 27 3.323 -1.638 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.938 -0.320 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.761 -2.048 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.391 0.503 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.625 0.669 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.685 1.275 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.897 -1.250 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.835 -1.870 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.015 -0.115 2.438 1.00 0.00 H new ATOM 254 N LYS A 28 2.359 -2.761 5.715 1.00 0.00 N ATOM 255 CA LYS A 28 2.036 -3.985 6.432 1.00 0.00 C ATOM 256 C LYS A 28 0.560 -4.023 6.819 1.00 0.00 C ATOM 257 O LYS A 28 -0.140 -5.016 6.628 1.00 0.00 O ATOM 258 CB LYS A 28 2.963 -4.181 7.617 1.00 0.00 C ATOM 259 CG LYS A 28 2.887 -5.643 8.011 1.00 0.00 C ATOM 260 CD LYS A 28 3.920 -5.832 9.125 1.00 0.00 C ATOM 261 CE LYS A 28 3.822 -7.216 9.746 1.00 0.00 C ATOM 262 NZ LYS A 28 4.803 -7.414 10.813 1.00 0.00 N ATOM 0 H LYS A 28 3.069 -2.228 6.217 1.00 0.00 H new ATOM 0 HA LYS A 28 2.201 -4.831 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.985 -3.906 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.664 -3.543 8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.887 -5.902 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.107 -6.289 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.922 -5.683 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.769 -5.075 9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.819 -7.363 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.971 -7.970 8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.699 -8.371 11.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.762 -7.300 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.646 -6.712 11.564 1.00 0.00 H new ATOM 276 N THR A 29 0.041 -2.873 7.229 1.00 0.00 N ATOM 277 CA THR A 29 -1.299 -2.729 7.761 1.00 0.00 C ATOM 278 C THR A 29 -2.408 -2.409 6.766 1.00 0.00 C ATOM 279 O THR A 29 -3.588 -2.501 7.104 1.00 0.00 O ATOM 280 CB THR A 29 -1.244 -1.745 8.929 1.00 0.00 C ATOM 281 OG1 THR A 29 -0.489 -0.600 8.595 1.00 0.00 O ATOM 282 CG2 THR A 29 -0.539 -2.387 10.118 1.00 0.00 C ATOM 0 H THR A 29 0.558 -1.994 7.198 1.00 0.00 H new ATOM 0 HA THR A 29 -1.605 -3.720 8.097 1.00 0.00 H new ATOM 0 HB THR A 29 -2.273 -1.473 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.465 -0.789 8.718 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.504 -1.679 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.084 -3.279 10.426 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.476 -2.663 9.833 1.00 0.00 H new ATOM 290 N ALA A 30 -2.059 -1.852 5.601 1.00 0.00 N ATOM 291 CA ALA A 30 -2.828 -1.095 4.646 1.00 0.00 C ATOM 292 C ALA A 30 -4.031 -1.868 4.094 1.00 0.00 C ATOM 293 O ALA A 30 -5.164 -1.400 4.211 1.00 0.00 O ATOM 294 CB ALA A 30 -1.930 -0.578 3.528 1.00 0.00 C ATOM 0 H ALA A 30 -1.096 -1.944 5.277 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.246 -0.241 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.527 -0.009 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.157 0.065 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.462 -1.420 3.018 1.00 0.00 H new ATOM 300 N ARG A 31 -3.821 -2.995 3.424 1.00 0.00 N ATOM 301 CA ARG A 31 -4.849 -3.682 2.670 1.00 0.00 C ATOM 302 C ARG A 31 -6.010 -4.046 3.580 1.00 0.00 C ATOM 303 O ARG A 31 -7.111 -3.802 3.120 1.00 0.00 O ATOM 304 CB ARG A 31 -4.267 -4.882 1.920 1.00 0.00 C ATOM 305 CG ARG A 31 -5.090 -5.567 0.835 1.00 0.00 C ATOM 306 CD ARG A 31 -6.490 -6.112 1.091 1.00 0.00 C ATOM 307 NE ARG A 31 -6.564 -7.126 2.139 1.00 0.00 N ATOM 308 CZ ARG A 31 -7.657 -7.663 2.705 1.00 0.00 C ATOM 309 NH1 ARG A 31 -8.889 -7.267 2.389 1.00 0.00 N ATOM 310 NH2 ARG A 31 -7.544 -8.634 3.608 1.00 0.00 N ATOM 0 H ARG A 31 -2.914 -3.461 3.392 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.245 -3.014 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.332 -4.558 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.014 -5.638 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.178 -4.855 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.492 -6.402 0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.145 -5.283 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.876 -6.537 0.164 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.669 -7.471 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.026 -6.532 1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.695 -7.699 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.621 -8.977 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.380 -9.036 4.032 1.00 0.00 H new ATOM 324 N GLU A 32 -5.752 -4.603 4.773 1.00 0.00 N ATOM 325 CA GLU A 32 -6.800 -4.768 5.762 1.00 0.00 C ATOM 326 C GLU A 32 -7.438 -3.510 6.314 1.00 0.00 C ATOM 327 O GLU A 32 -8.626 -3.564 6.627 1.00 0.00 O ATOM 328 CB GLU A 32 -6.141 -5.428 6.966 1.00 0.00 C ATOM 329 CG GLU A 32 -5.647 -6.864 6.870 1.00 0.00 C ATOM 330 CD GLU A 32 -5.372 -7.581 8.187 1.00 0.00 C ATOM 331 OE1 GLU A 32 -5.638 -7.027 9.278 1.00 0.00 O ATOM 332 OE2 GLU A 32 -4.694 -8.626 8.164 1.00 0.00 O ATOM 0 H GLU A 32 -4.834 -4.940 5.064 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.591 -5.318 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.289 -4.810 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.853 -5.384 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.386 -7.442 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.730 -6.870 6.281 1.00 0.00 H new ATOM 339 N GLN A 33 -6.754 -2.375 6.511 1.00 0.00 N ATOM 340 CA GLN A 33 -7.269 -1.179 7.137 1.00 0.00 C ATOM 341 C GLN A 33 -8.242 -0.462 6.208 1.00 0.00 C ATOM 342 O GLN A 33 -8.817 0.572 6.554 1.00 0.00 O ATOM 343 CB GLN A 33 -6.153 -0.301 7.697 1.00 0.00 C ATOM 344 CG GLN A 33 -6.092 -0.413 9.209 1.00 0.00 C ATOM 345 CD GLN A 33 -6.065 -1.824 9.806 1.00 0.00 C ATOM 346 OE1 GLN A 33 -6.780 -2.183 10.733 1.00 0.00 O ATOM 347 NE2 GLN A 33 -5.194 -2.678 9.284 1.00 0.00 N ATOM 0 H GLN A 33 -5.782 -2.275 6.220 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.852 -1.461 8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.197 -0.600 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.321 0.737 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.202 0.116 9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.953 0.112 9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.595 -2.387 8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.124 -3.626 9.655 1.00 0.00 H new ATOM 356 N LEU A 34 -8.450 -1.016 5.030 1.00 0.00 N ATOM 357 CA LEU A 34 -9.322 -0.591 3.952 1.00 0.00 C ATOM 358 C LEU A 34 -10.408 -1.604 3.650 1.00 0.00 C ATOM 359 O LEU A 34 -11.509 -1.180 3.290 1.00 0.00 O ATOM 360 CB LEU A 34 -8.481 -0.276 2.704 1.00 0.00 C ATOM 361 CG LEU A 34 -7.408 0.758 2.940 1.00 0.00 C ATOM 362 CD1 LEU A 34 -6.534 0.634 1.685 1.00 0.00 C ATOM 363 CD2 LEU A 34 -7.905 2.185 3.192 1.00 0.00 C ATOM 0 H LEU A 34 -7.956 -1.872 4.777 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.838 0.314 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.015 -1.195 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.142 0.073 1.910 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.873 0.568 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.710 1.346 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.135 -0.378 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.135 0.846 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.052 2.845 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.476 2.529 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.541 2.198 4.077 1.00 0.00 H new ATOM 375 N GLY A 35 -10.239 -2.861 4.054 1.00 0.00 N ATOM 376 CA GLY A 35 -11.306 -3.847 4.173 1.00 0.00 C ATOM 377 C GLY A 35 -11.718 -4.492 2.857 1.00 0.00 C ATOM 378 O GLY A 35 -12.605 -5.314 2.674 1.00 0.00 O ATOM 0 H GLY A 35 -9.325 -3.231 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.986 -4.629 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.178 -3.368 4.617 1.00 0.00 H new ATOM 382 N ILE A 36 -11.144 -3.906 1.804 1.00 0.00 N ATOM 383 CA ILE A 36 -11.358 -4.108 0.387 1.00 0.00 C ATOM 384 C ILE A 36 -10.400 -5.154 -0.150 1.00 0.00 C ATOM 385 O ILE A 36 -9.299 -5.351 0.379 1.00 0.00 O ATOM 386 CB ILE A 36 -11.148 -2.722 -0.230 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.779 -2.093 -0.011 1.00 0.00 C ATOM 388 CG2 ILE A 36 -12.295 -1.795 0.186 1.00 0.00 C ATOM 389 CD1 ILE A 36 -9.403 -0.890 -0.878 1.00 0.00 C ATOM 0 H ILE A 36 -10.431 -3.192 1.955 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.349 -4.492 0.147 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.166 -2.871 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.713 -1.788 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.026 -2.866 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.144 -0.809 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.241 -2.207 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.317 -1.708 1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.403 -0.548 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.420 -1.179 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.118 -0.084 -0.712 1.00 0.00 H new ATOM 401 N SER A 37 -10.737 -5.826 -1.260 1.00 0.00 N ATOM 402 CA SER A 37 -9.795 -6.653 -1.995 1.00 0.00 C ATOM 403 C SER A 37 -8.644 -5.903 -2.632 1.00 0.00 C ATOM 404 O SER A 37 -8.693 -4.693 -2.804 1.00 0.00 O ATOM 405 CB SER A 37 -10.600 -7.459 -3.018 1.00 0.00 C ATOM 406 OG SER A 37 -10.935 -6.611 -4.081 1.00 0.00 O ATOM 0 H SER A 37 -11.673 -5.805 -1.666 1.00 0.00 H new ATOM 0 HA SER A 37 -9.291 -7.308 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.016 -8.306 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.501 -7.865 -2.558 1.00 0.00 H new ATOM 0 HG SER A 37 -11.450 -7.111 -4.748 1.00 0.00 H new ATOM 412 N GLN A 38 -7.585 -6.631 -2.983 1.00 0.00 N ATOM 413 CA GLN A 38 -6.511 -6.092 -3.772 1.00 0.00 C ATOM 414 C GLN A 38 -7.014 -5.522 -5.097 1.00 0.00 C ATOM 415 O GLN A 38 -6.450 -4.537 -5.549 1.00 0.00 O ATOM 416 CB GLN A 38 -5.366 -7.108 -3.863 1.00 0.00 C ATOM 417 CG GLN A 38 -4.597 -7.120 -2.543 1.00 0.00 C ATOM 418 CD GLN A 38 -3.560 -8.227 -2.512 1.00 0.00 C ATOM 419 OE1 GLN A 38 -3.550 -9.084 -1.627 1.00 0.00 O ATOM 420 NE2 GLN A 38 -2.596 -8.315 -3.429 1.00 0.00 N ATOM 0 H GLN A 38 -7.460 -7.609 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.079 -5.222 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.762 -8.101 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.698 -6.848 -4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.107 -6.157 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.295 -7.251 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.550 -7.635 -4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.904 -9.063 -3.372 1.00 0.00 H new ATOM 429 N GLN A 39 -8.000 -6.153 -5.744 1.00 0.00 N ATOM 430 CA GLN A 39 -8.674 -5.682 -6.945 1.00 0.00 C ATOM 431 C GLN A 39 -9.479 -4.443 -6.677 1.00 0.00 C ATOM 432 O GLN A 39 -9.415 -3.507 -7.486 1.00 0.00 O ATOM 433 CB GLN A 39 -9.580 -6.774 -7.507 1.00 0.00 C ATOM 434 CG GLN A 39 -8.821 -7.902 -8.213 1.00 0.00 C ATOM 435 CD GLN A 39 -8.062 -7.626 -9.503 1.00 0.00 C ATOM 436 OE1 GLN A 39 -7.905 -6.455 -9.879 1.00 0.00 O ATOM 437 NE2 GLN A 39 -7.707 -8.605 -10.335 1.00 0.00 N ATOM 0 H GLN A 39 -8.363 -7.050 -5.423 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.905 -5.435 -7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.170 -7.198 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.282 -6.325 -8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.105 -8.307 -7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.541 -8.692 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.823 -9.579 -10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.319 -8.380 -11.251 1.00 0.00 H new ATOM 446 N GLN A 40 -10.053 -4.227 -5.495 1.00 0.00 N ATOM 447 CA GLN A 40 -10.656 -2.961 -5.131 1.00 0.00 C ATOM 448 C GLN A 40 -9.633 -1.853 -4.949 1.00 0.00 C ATOM 449 O GLN A 40 -9.946 -0.678 -5.192 1.00 0.00 O ATOM 450 CB GLN A 40 -11.666 -3.170 -4.003 1.00 0.00 C ATOM 451 CG GLN A 40 -13.033 -3.681 -4.428 1.00 0.00 C ATOM 452 CD GLN A 40 -13.951 -3.757 -3.214 1.00 0.00 C ATOM 453 OE1 GLN A 40 -13.622 -4.329 -2.185 1.00 0.00 O ATOM 454 NE2 GLN A 40 -15.126 -3.106 -3.259 1.00 0.00 N ATOM 0 H GLN A 40 -10.109 -4.935 -4.763 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.245 -2.575 -5.963 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.242 -3.874 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.799 -2.223 -3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.462 -3.019 -5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.938 -4.665 -4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.410 -2.625 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.733 -3.093 -2.440 1.00 0.00 H new ATOM 463 N LEU A 41 -8.462 -2.094 -4.357 1.00 0.00 N ATOM 464 CA LEU A 41 -7.380 -1.165 -4.130 1.00 0.00 C ATOM 465 C LEU A 41 -6.810 -0.697 -5.446 1.00 0.00 C ATOM 466 O LEU A 41 -6.387 0.447 -5.632 1.00 0.00 O ATOM 467 CB LEU A 41 -6.324 -1.783 -3.210 1.00 0.00 C ATOM 468 CG LEU A 41 -5.223 -0.855 -2.701 1.00 0.00 C ATOM 469 CD1 LEU A 41 -5.794 0.465 -2.194 1.00 0.00 C ATOM 470 CD2 LEU A 41 -4.437 -1.642 -1.664 1.00 0.00 C ATOM 0 H LEU A 41 -8.239 -3.023 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.761 -0.282 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.834 -2.210 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.852 -2.609 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.545 -0.551 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.982 1.100 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.322 0.968 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.487 0.271 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.634 -1.021 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.101 -1.939 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.011 -2.532 -2.128 1.00 0.00 H new ATOM 482 N ALA A 42 -6.739 -1.633 -6.408 1.00 0.00 N ATOM 483 CA ALA A 42 -6.275 -1.354 -7.752 1.00 0.00 C ATOM 484 C ALA A 42 -7.327 -0.538 -8.474 1.00 0.00 C ATOM 485 O ALA A 42 -6.965 0.228 -9.368 1.00 0.00 O ATOM 486 CB ALA A 42 -5.943 -2.737 -8.305 1.00 0.00 C ATOM 0 H ALA A 42 -7.007 -2.606 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.387 -0.730 -7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.579 -2.642 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.174 -3.201 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.839 -3.358 -8.295 1.00 0.00 H new ATOM 492 N GLN A 43 -8.603 -0.615 -8.091 1.00 0.00 N ATOM 493 CA GLN A 43 -9.582 0.309 -8.641 1.00 0.00 C ATOM 494 C GLN A 43 -9.330 1.771 -8.325 1.00 0.00 C ATOM 495 O GLN A 43 -9.683 2.691 -9.050 1.00 0.00 O ATOM 496 CB GLN A 43 -11.001 -0.149 -8.314 1.00 0.00 C ATOM 497 CG GLN A 43 -11.403 -1.238 -9.301 1.00 0.00 C ATOM 498 CD GLN A 43 -12.791 -1.781 -8.979 1.00 0.00 C ATOM 499 OE1 GLN A 43 -13.809 -1.114 -9.151 1.00 0.00 O ATOM 500 NE2 GLN A 43 -13.003 -3.018 -8.541 1.00 0.00 N ATOM 0 H GLN A 43 -8.971 -1.290 -7.420 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.460 0.271 -9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.050 -0.528 -7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.693 0.691 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.391 -0.838 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.675 -2.049 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.214 -3.641 -8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.955 -3.344 -8.375 1.00 0.00 H new ATOM 509 N LYS A 44 -8.835 2.092 -7.122 1.00 0.00 N ATOM 510 CA LYS A 44 -8.615 3.426 -6.607 1.00 0.00 C ATOM 511 C LYS A 44 -7.515 4.158 -7.377 1.00 0.00 C ATOM 512 O LYS A 44 -7.470 5.389 -7.427 1.00 0.00 O ATOM 513 CB LYS A 44 -8.247 3.306 -5.126 1.00 0.00 C ATOM 514 CG LYS A 44 -9.427 2.821 -4.282 1.00 0.00 C ATOM 515 CD LYS A 44 -9.078 2.561 -2.819 1.00 0.00 C ATOM 516 CE LYS A 44 -10.273 2.574 -1.863 1.00 0.00 C ATOM 517 NZ LYS A 44 -10.340 3.863 -1.155 1.00 0.00 N ATOM 0 H LYS A 44 -8.565 1.373 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.525 4.014 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.412 2.614 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.910 4.274 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.223 3.564 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.821 1.904 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.582 1.593 -2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.360 3.313 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.195 2.407 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.183 1.760 -1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.155 3.862 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.466 4.006 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.447 4.633 -1.846 1.00 0.00 H new ATOM 531 N LEU A 45 -6.696 3.292 -7.983 1.00 0.00 N ATOM 532 CA LEU A 45 -5.290 3.611 -8.098 1.00 0.00 C ATOM 533 C LEU A 45 -4.835 3.333 -9.520 1.00 0.00 C ATOM 534 O LEU A 45 -3.747 3.709 -9.956 1.00 0.00 O ATOM 535 CB LEU A 45 -4.426 2.687 -7.230 1.00 0.00 C ATOM 536 CG LEU A 45 -4.407 3.032 -5.746 1.00 0.00 C ATOM 537 CD1 LEU A 45 -3.475 2.101 -4.956 1.00 0.00 C ATOM 538 CD2 LEU A 45 -3.976 4.486 -5.563 1.00 0.00 C ATOM 0 H LEU A 45 -6.979 2.398 -8.385 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.177 4.652 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.785 1.664 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.403 2.711 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.415 2.895 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.490 2.380 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.814 1.071 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.459 2.191 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.963 4.731 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.978 4.625 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.679 5.141 -6.078 1.00 0.00 H new ATOM 550 N LYS A 46 -5.733 2.764 -10.320 1.00 0.00 N ATOM 551 CA LYS A 46 -5.415 1.929 -11.472 1.00 0.00 C ATOM 552 C LYS A 46 -4.447 0.765 -11.301 1.00 0.00 C ATOM 553 O LYS A 46 -4.823 -0.305 -11.769 1.00 0.00 O ATOM 554 CB LYS A 46 -5.217 2.869 -12.672 1.00 0.00 C ATOM 555 CG LYS A 46 -6.180 4.020 -12.898 1.00 0.00 C ATOM 556 CD LYS A 46 -7.544 3.586 -13.423 1.00 0.00 C ATOM 557 CE LYS A 46 -8.444 4.815 -13.582 1.00 0.00 C ATOM 558 NZ LYS A 46 -9.700 4.362 -14.216 1.00 0.00 N ATOM 0 H LYS A 46 -6.737 2.876 -10.178 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.266 1.274 -11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.217 3.294 -12.590 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.229 2.254 -13.572 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.316 4.557 -11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.735 4.721 -13.605 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.432 3.078 -14.381 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.001 2.874 -12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.646 5.271 -12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.955 5.572 -14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.338 5.173 -14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.489 3.942 -15.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.158 3.651 -13.611 1.00 0.00 H new ATOM 572 N VAL A 47 -3.398 0.883 -10.500 1.00 0.00 N ATOM 573 CA VAL A 47 -2.216 0.054 -10.636 1.00 0.00 C ATOM 574 C VAL A 47 -1.890 -0.675 -9.339 1.00 0.00 C ATOM 575 O VAL A 47 -2.457 -0.261 -8.325 1.00 0.00 O ATOM 576 CB VAL A 47 -1.015 0.920 -10.989 1.00 0.00 C ATOM 577 CG1 VAL A 47 -1.239 1.827 -12.203 1.00 0.00 C ATOM 578 CG2 VAL A 47 -0.576 1.897 -9.895 1.00 0.00 C ATOM 0 H VAL A 47 -3.345 1.558 -9.737 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.423 -0.674 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.262 0.152 -11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.339 2.412 -12.391 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.464 1.216 -13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.074 2.499 -12.006 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.286 2.468 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.395 2.579 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.306 1.341 -8.998 1.00 0.00 H new ATOM 588 N SER A 48 -1.201 -1.813 -9.491 1.00 0.00 N ATOM 589 CA SER A 48 -1.419 -3.094 -8.844 1.00 0.00 C ATOM 590 C SER A 48 -0.205 -3.866 -8.352 1.00 0.00 C ATOM 591 O SER A 48 -0.443 -4.959 -7.837 1.00 0.00 O ATOM 592 CB SER A 48 -2.284 -3.888 -9.810 1.00 0.00 C ATOM 593 OG SER A 48 -1.693 -4.295 -11.022 1.00 0.00 O ATOM 0 H SER A 48 -0.407 -1.854 -10.130 1.00 0.00 H new ATOM 0 HA SER A 48 -1.900 -2.907 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.638 -4.779 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.162 -3.288 -10.048 1.00 0.00 H new ATOM 0 HG SER A 48 -0.967 -3.679 -11.255 1.00 0.00 H new ATOM 599 N GLU A 49 0.979 -3.362 -8.672 1.00 0.00 N ATOM 600 CA GLU A 49 2.197 -4.163 -8.598 1.00 0.00 C ATOM 601 C GLU A 49 2.977 -3.825 -7.339 1.00 0.00 C ATOM 602 O GLU A 49 3.623 -4.760 -6.851 1.00 0.00 O ATOM 603 CB GLU A 49 3.042 -4.031 -9.856 1.00 0.00 C ATOM 604 CG GLU A 49 2.340 -4.438 -11.148 1.00 0.00 C ATOM 605 CD GLU A 49 1.513 -3.448 -11.949 1.00 0.00 C ATOM 606 OE1 GLU A 49 0.846 -2.553 -11.371 1.00 0.00 O ATOM 607 OE2 GLU A 49 1.630 -3.431 -13.189 1.00 0.00 O ATOM 0 H GLU A 49 1.124 -2.402 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 49 1.910 -5.213 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.370 -2.996 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.938 -4.640 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.109 -4.823 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.684 -5.273 -10.902 1.00 0.00 H new ATOM 614 N ASN A 50 2.971 -2.597 -6.814 1.00 0.00 N ATOM 615 CA ASN A 50 3.789 -2.208 -5.689 1.00 0.00 C ATOM 616 C ASN A 50 2.991 -1.750 -4.475 1.00 0.00 C ATOM 617 O ASN A 50 3.365 -2.301 -3.426 1.00 0.00 O ATOM 618 CB ASN A 50 4.760 -1.144 -6.191 1.00 0.00 C ATOM 619 CG ASN A 50 5.839 -0.787 -5.177 1.00 0.00 C ATOM 620 OD1 ASN A 50 5.899 -1.289 -4.063 1.00 0.00 O ATOM 621 ND2 ASN A 50 6.603 0.253 -5.519 1.00 0.00 N ATOM 0 H ASN A 50 2.385 -1.843 -7.172 1.00 0.00 H new ATOM 0 HA ASN A 50 4.331 -3.078 -5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.234 -1.498 -7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.201 -0.244 -6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.258 0.649 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.532 0.652 -6.455 1.00 0.00 H new ATOM 628 N ILE A 51 1.914 -0.956 -4.408 1.00 0.00 N ATOM 629 CA ILE A 51 1.077 -0.196 -5.319 1.00 0.00 C ATOM 630 C ILE A 51 0.691 -0.998 -6.548 1.00 0.00 C ATOM 631 O ILE A 51 0.939 -0.682 -7.712 1.00 0.00 O ATOM 632 CB ILE A 51 1.732 1.145 -5.656 1.00 0.00 C ATOM 633 CG1 ILE A 51 2.578 1.807 -4.576 1.00 0.00 C ATOM 634 CG2 ILE A 51 0.635 2.132 -6.073 1.00 0.00 C ATOM 635 CD1 ILE A 51 3.058 3.232 -4.858 1.00 0.00 C ATOM 0 H ILE A 51 1.533 -0.811 -3.473 1.00 0.00 H new ATOM 0 HA ILE A 51 0.136 0.024 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 51 2.440 0.902 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.001 1.819 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.453 1.182 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.085 3.094 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.110 1.745 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.071 2.259 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.649 3.590 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.671 3.238 -5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.197 3.885 -5.001 1.00 0.00 H new ATOM 647 N VAL A 52 -0.028 -2.108 -6.344 1.00 0.00 N ATOM 648 CA VAL A 52 -0.522 -2.619 -5.082 1.00 0.00 C ATOM 649 C VAL A 52 0.382 -3.633 -4.406 1.00 0.00 C ATOM 650 O VAL A 52 0.625 -3.631 -3.198 1.00 0.00 O ATOM 651 CB VAL A 52 -1.959 -3.151 -5.142 1.00 0.00 C ATOM 652 CG1 VAL A 52 -2.418 -4.021 -3.974 1.00 0.00 C ATOM 653 CG2 VAL A 52 -2.825 -1.900 -5.287 1.00 0.00 C ATOM 0 H VAL A 52 -0.294 -2.710 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.522 -1.727 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.041 -3.850 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.450 -4.333 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.780 -4.902 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.353 -3.450 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.875 -2.188 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.669 -1.248 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.550 -1.371 -6.199 1.00 0.00 H new ATOM 663 N LYS A 53 0.848 -4.629 -5.184 1.00 0.00 N ATOM 664 CA LYS A 53 1.113 -5.937 -4.626 1.00 0.00 C ATOM 665 C LYS A 53 2.090 -6.101 -3.472 1.00 0.00 C ATOM 666 O LYS A 53 1.848 -6.925 -2.594 1.00 0.00 O ATOM 667 CB LYS A 53 1.365 -6.885 -5.792 1.00 0.00 C ATOM 668 CG LYS A 53 0.981 -8.316 -5.425 1.00 0.00 C ATOM 669 CD LYS A 53 1.118 -9.260 -6.627 1.00 0.00 C ATOM 670 CE LYS A 53 0.933 -10.730 -6.265 1.00 0.00 C ATOM 671 NZ LYS A 53 2.049 -11.410 -5.587 1.00 0.00 N ATOM 0 H LYS A 53 1.041 -4.540 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 53 0.215 -6.188 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.790 -6.561 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.417 -6.848 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.615 -8.667 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.046 -8.336 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.382 -8.984 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.102 -9.125 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.053 -10.811 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.713 -11.277 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.895 -12.438 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.940 -11.182 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.101 -11.091 -4.598 1.00 0.00 H new ATOM 685 N ARG A 54 3.223 -5.399 -3.577 1.00 0.00 N ATOM 686 CA ARG A 54 4.458 -5.718 -2.892 1.00 0.00 C ATOM 687 C ARG A 54 4.454 -5.415 -1.399 1.00 0.00 C ATOM 688 O ARG A 54 5.344 -5.963 -0.743 1.00 0.00 O ATOM 689 CB ARG A 54 5.604 -4.982 -3.570 1.00 0.00 C ATOM 690 CG ARG A 54 7.004 -5.591 -3.577 1.00 0.00 C ATOM 691 CD ARG A 54 7.929 -4.624 -4.310 1.00 0.00 C ATOM 692 NE ARG A 54 7.631 -4.616 -5.739 1.00 0.00 N ATOM 693 CZ ARG A 54 7.933 -3.622 -6.596 1.00 0.00 C ATOM 694 NH1 ARG A 54 8.617 -2.525 -6.257 1.00 0.00 N ATOM 695 NH2 ARG A 54 7.596 -3.707 -7.888 1.00 0.00 N ATOM 0 H ARG A 54 3.297 -4.568 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 54 4.581 -6.799 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.316 -4.820 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.680 -4.000 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.354 -5.756 -2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.996 -6.562 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.812 -3.620 -3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.968 -4.914 -4.151 1.00 0.00 H new ATOM 0 HE ARG A 54 7.154 -5.432 -6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.944 -2.404 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.812 -1.809 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.105 -4.531 -8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.830 -2.947 -8.527 1.00 0.00 H new ATOM 709 N PHE A 55 3.474 -4.680 -0.894 1.00 0.00 N ATOM 710 CA PHE A 55 3.271 -4.540 0.539 1.00 0.00 C ATOM 711 C PHE A 55 3.189 -5.863 1.277 1.00 0.00 C ATOM 712 O PHE A 55 3.434 -5.845 2.481 1.00 0.00 O ATOM 713 CB PHE A 55 1.959 -3.823 0.851 1.00 0.00 C ATOM 714 CG PHE A 55 1.588 -2.510 0.221 1.00 0.00 C ATOM 715 CD1 PHE A 55 2.476 -1.827 -0.618 1.00 0.00 C ATOM 716 CD2 PHE A 55 0.269 -2.053 0.350 1.00 0.00 C ATOM 717 CE1 PHE A 55 2.132 -0.559 -1.094 1.00 0.00 C ATOM 718 CE2 PHE A 55 -0.119 -0.860 -0.266 1.00 0.00 C ATOM 719 CZ PHE A 55 0.814 -0.105 -1.001 1.00 0.00 C ATOM 0 H PHE A 55 2.801 -4.167 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 55 4.143 -3.977 0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.157 -4.522 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.936 -3.669 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.418 -2.276 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.447 -2.622 0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.888 0.073 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.139 -0.516 -0.178 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.515 0.812 -1.486 1.00 0.00 H new ATOM 729 N GLU A 56 2.763 -6.994 0.724 1.00 0.00 N ATOM 730 CA GLU A 56 2.919 -8.281 1.369 1.00 0.00 C ATOM 731 C GLU A 56 4.321 -8.626 1.881 1.00 0.00 C ATOM 732 O GLU A 56 4.534 -9.488 2.730 1.00 0.00 O ATOM 733 CB GLU A 56 2.241 -9.369 0.551 1.00 0.00 C ATOM 734 CG GLU A 56 3.109 -9.766 -0.641 1.00 0.00 C ATOM 735 CD GLU A 56 2.561 -10.913 -1.489 1.00 0.00 C ATOM 736 OE1 GLU A 56 2.308 -11.997 -0.919 1.00 0.00 O ATOM 737 OE2 GLU A 56 2.381 -10.686 -2.706 1.00 0.00 O ATOM 0 H GLU A 56 2.301 -7.038 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 56 2.390 -8.205 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.055 -10.241 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.271 -9.016 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.242 -8.893 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.097 -10.046 -0.274 1.00 0.00 H new ATOM 744 N SER A 57 5.360 -8.074 1.268 1.00 0.00 N ATOM 745 CA SER A 57 6.601 -8.816 1.205 1.00 0.00 C ATOM 746 C SER A 57 7.455 -8.953 2.463 1.00 0.00 C ATOM 747 O SER A 57 8.223 -9.907 2.528 1.00 0.00 O ATOM 748 CB SER A 57 7.465 -8.186 0.106 1.00 0.00 C ATOM 749 OG SER A 57 7.573 -6.781 0.318 1.00 0.00 O ATOM 0 H SER A 57 5.368 -7.155 0.826 1.00 0.00 H new ATOM 0 HA SER A 57 6.275 -9.840 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.456 -8.640 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.025 -8.382 -0.872 1.00 0.00 H new ATOM 0 HG SER A 57 6.928 -6.314 -0.253 1.00 0.00 H new ATOM 755 N GLY A 58 7.456 -8.048 3.447 1.00 0.00 N ATOM 756 CA GLY A 58 8.428 -8.184 4.512 1.00 0.00 C ATOM 757 C GLY A 58 9.841 -7.714 4.182 1.00 0.00 C ATOM 758 O GLY A 58 10.802 -8.203 4.779 1.00 0.00 O ATOM 0 H GLY A 58 6.823 -7.252 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.072 -7.625 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.473 -9.233 4.806 1.00 0.00 H new ATOM 762 N LYS A 59 9.953 -6.882 3.148 1.00 0.00 N ATOM 763 CA LYS A 59 11.235 -6.677 2.505 1.00 0.00 C ATOM 764 C LYS A 59 11.854 -5.297 2.404 1.00 0.00 C ATOM 765 O LYS A 59 12.887 -5.129 1.766 1.00 0.00 O ATOM 766 CB LYS A 59 11.137 -7.366 1.138 1.00 0.00 C ATOM 767 CG LYS A 59 11.433 -8.834 1.448 1.00 0.00 C ATOM 768 CD LYS A 59 11.324 -9.632 0.145 1.00 0.00 C ATOM 769 CE LYS A 59 11.759 -11.093 0.329 1.00 0.00 C ATOM 770 NZ LYS A 59 11.483 -11.975 -0.809 1.00 0.00 N ATOM 0 H LYS A 59 9.181 -6.350 2.748 1.00 0.00 H new ATOM 0 HA LYS A 59 11.961 -7.106 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.148 -7.242 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.856 -6.954 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.431 -8.938 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.729 -9.216 2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.295 -9.602 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.942 -9.163 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.830 -11.114 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.259 -11.496 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.812 -12.937 -0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.460 -11.992 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.982 -11.622 -1.651 1.00 0.00 H new ATOM 784 N LEU A 60 11.244 -4.269 2.997 1.00 0.00 N ATOM 785 CA LEU A 60 11.549 -2.873 2.807 1.00 0.00 C ATOM 786 C LEU A 60 11.418 -1.940 3.990 1.00 0.00 C ATOM 787 O LEU A 60 10.540 -2.026 4.844 1.00 0.00 O ATOM 788 CB LEU A 60 10.630 -2.223 1.761 1.00 0.00 C ATOM 789 CG LEU A 60 10.884 -0.832 1.192 1.00 0.00 C ATOM 790 CD1 LEU A 60 12.197 -0.760 0.418 1.00 0.00 C ATOM 791 CD2 LEU A 60 9.711 -0.538 0.248 1.00 0.00 C ATOM 0 H LEU A 60 10.481 -4.410 3.659 1.00 0.00 H new ATOM 0 HA LEU A 60 12.601 -2.957 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.595 -2.905 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.630 -2.203 2.195 1.00 0.00 H new ATOM 0 HG LEU A 60 10.960 -0.105 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.336 0.249 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.025 -1.012 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.169 -1.466 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.838 0.451 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.684 -1.287 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.777 -0.569 0.808 1.00 0.00 H new ATOM 803 N LYS A 61 12.351 -0.968 4.095 1.00 0.00 N ATOM 804 CA LYS A 61 12.176 0.291 4.785 1.00 0.00 C ATOM 805 C LYS A 61 12.242 1.434 3.790 1.00 0.00 C ATOM 806 O LYS A 61 13.299 1.711 3.222 1.00 0.00 O ATOM 807 CB LYS A 61 13.398 0.471 5.684 1.00 0.00 C ATOM 808 CG LYS A 61 13.402 -0.630 6.749 1.00 0.00 C ATOM 809 CD LYS A 61 14.547 -0.362 7.713 1.00 0.00 C ATOM 810 CE LYS A 61 14.462 -1.168 8.993 1.00 0.00 C ATOM 811 NZ LYS A 61 13.327 -0.835 9.872 1.00 0.00 N ATOM 0 H LYS A 61 13.277 -1.061 3.678 1.00 0.00 H new ATOM 0 HA LYS A 61 11.227 0.290 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.311 0.424 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.375 1.452 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.452 -0.644 7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.520 -1.608 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.490 -0.585 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.561 0.699 7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.402 -2.225 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.387 -1.029 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.402 -1.377 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.341 0.182 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.435 -1.075 9.394 1.00 0.00 H new ATOM 825 N PRO A 62 11.170 2.153 3.452 1.00 0.00 N ATOM 826 CA PRO A 62 11.128 3.083 2.325 1.00 0.00 C ATOM 827 C PRO A 62 11.818 4.410 2.649 1.00 0.00 C ATOM 828 O PRO A 62 12.375 4.584 3.729 1.00 0.00 O ATOM 829 CB PRO A 62 9.657 3.264 1.959 1.00 0.00 C ATOM 830 CG PRO A 62 8.975 3.084 3.320 1.00 0.00 C ATOM 831 CD PRO A 62 9.817 1.991 3.952 1.00 0.00 C ATOM 0 HA PRO A 62 11.682 2.683 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.460 4.246 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.322 2.524 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.989 4.002 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.931 2.787 3.217 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.796 2.068 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.426 1.006 3.695 1.00 0.00 H new ATOM 839 N THR A 63 11.793 5.339 1.700 1.00 0.00 N ATOM 840 CA THR A 63 12.120 6.734 1.917 1.00 0.00 C ATOM 841 C THR A 63 10.984 7.560 2.498 1.00 0.00 C ATOM 842 O THR A 63 9.874 7.081 2.695 1.00 0.00 O ATOM 843 CB THR A 63 12.658 7.422 0.672 1.00 0.00 C ATOM 844 OG1 THR A 63 11.629 7.544 -0.293 1.00 0.00 O ATOM 845 CG2 THR A 63 13.894 6.774 0.047 1.00 0.00 C ATOM 0 H THR A 63 11.537 5.132 0.735 1.00 0.00 H new ATOM 0 HA THR A 63 12.911 6.692 2.666 1.00 0.00 H new ATOM 0 HB THR A 63 12.996 8.402 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.427 8.492 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 63 14.196 7.341 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 63 14.708 6.769 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 63 13.660 5.750 -0.244 1.00 0.00 H new ATOM 853 N ILE A 64 11.381 8.782 2.863 1.00 0.00 N ATOM 854 CA ILE A 64 10.536 9.765 3.487 1.00 0.00 C ATOM 855 C ILE A 64 9.478 10.271 2.500 1.00 0.00 C ATOM 856 O ILE A 64 8.301 10.330 2.865 1.00 0.00 O ATOM 857 CB ILE A 64 11.350 10.866 4.148 1.00 0.00 C ATOM 858 CG1 ILE A 64 10.483 11.752 5.051 1.00 0.00 C ATOM 859 CG2 ILE A 64 12.059 11.783 3.163 1.00 0.00 C ATOM 860 CD1 ILE A 64 9.895 10.958 6.201 1.00 0.00 C ATOM 0 H ILE A 64 12.336 9.111 2.721 1.00 0.00 H new ATOM 0 HA ILE A 64 9.987 9.294 4.303 1.00 0.00 H new ATOM 0 HB ILE A 64 12.098 10.328 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.083 12.573 5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.679 12.196 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 64 12.618 12.542 3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.745 11.198 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.322 12.267 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.286 11.614 6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.275 10.153 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 64 10.701 10.535 6.801 1.00 0.00 H new ATOM 872 N SER A 65 9.811 10.614 1.257 1.00 0.00 N ATOM 873 CA SER A 65 8.754 10.857 0.302 1.00 0.00 C ATOM 874 C SER A 65 7.825 9.654 0.162 1.00 0.00 C ATOM 875 O SER A 65 6.612 9.829 0.112 1.00 0.00 O ATOM 876 CB SER A 65 9.384 11.117 -1.064 1.00 0.00 C ATOM 877 OG SER A 65 10.313 10.155 -1.471 1.00 0.00 O ATOM 0 H SER A 65 10.763 10.724 0.906 1.00 0.00 H new ATOM 0 HA SER A 65 8.173 11.709 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.591 11.175 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.874 12.090 -1.044 1.00 0.00 H new ATOM 0 HG SER A 65 10.667 10.394 -2.353 1.00 0.00 H new ATOM 883 N GLN A 66 8.312 8.419 0.271 1.00 0.00 N ATOM 884 CA GLN A 66 7.540 7.231 -0.054 1.00 0.00 C ATOM 885 C GLN A 66 6.621 6.999 1.141 1.00 0.00 C ATOM 886 O GLN A 66 5.415 6.931 0.912 1.00 0.00 O ATOM 887 CB GLN A 66 8.450 6.066 -0.418 1.00 0.00 C ATOM 888 CG GLN A 66 9.061 6.430 -1.762 1.00 0.00 C ATOM 889 CD GLN A 66 8.069 6.294 -2.898 1.00 0.00 C ATOM 890 OE1 GLN A 66 7.024 5.664 -2.736 1.00 0.00 O ATOM 891 NE2 GLN A 66 8.131 6.976 -4.038 1.00 0.00 N ATOM 0 H GLN A 66 9.260 8.218 0.590 1.00 0.00 H new ATOM 0 HA GLN A 66 6.927 7.347 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.222 5.921 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.888 5.134 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.430 7.455 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.921 5.788 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.960 7.528 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.349 6.947 -4.693 1.00 0.00 H new ATOM 900 N ALA A 67 7.183 6.993 2.349 1.00 0.00 N ATOM 901 CA ALA A 67 6.409 6.919 3.570 1.00 0.00 C ATOM 902 C ALA A 67 5.299 7.956 3.674 1.00 0.00 C ATOM 903 O ALA A 67 4.153 7.598 3.975 1.00 0.00 O ATOM 904 CB ALA A 67 7.366 7.060 4.753 1.00 0.00 C ATOM 0 H ALA A 67 8.191 7.040 2.500 1.00 0.00 H new ATOM 0 HA ALA A 67 5.903 5.953 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.803 7.007 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.099 6.254 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.879 8.020 4.693 1.00 0.00 H new ATOM 910 N ARG A 68 5.568 9.192 3.243 1.00 0.00 N ATOM 911 CA ARG A 68 4.493 10.172 3.160 1.00 0.00 C ATOM 912 C ARG A 68 3.430 9.828 2.136 1.00 0.00 C ATOM 913 O ARG A 68 2.242 9.927 2.409 1.00 0.00 O ATOM 914 CB ARG A 68 5.218 11.492 2.931 1.00 0.00 C ATOM 915 CG ARG A 68 5.888 12.024 4.202 1.00 0.00 C ATOM 916 CD ARG A 68 6.637 13.341 3.977 1.00 0.00 C ATOM 917 NE ARG A 68 7.044 13.776 5.318 1.00 0.00 N ATOM 918 CZ ARG A 68 8.180 14.345 5.755 1.00 0.00 C ATOM 919 NH1 ARG A 68 9.054 14.968 4.959 1.00 0.00 N ATOM 920 NH2 ARG A 68 8.457 14.460 7.054 1.00 0.00 N ATOM 0 H ARG A 68 6.488 9.526 2.956 1.00 0.00 H new ATOM 0 HA ARG A 68 3.889 10.211 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.972 11.358 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.509 12.233 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.130 12.170 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.585 11.276 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.501 13.198 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.998 14.083 3.498 1.00 0.00 H new ATOM 0 HE ARG A 68 6.344 13.619 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.876 15.031 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.899 15.380 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.797 14.111 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.329 14.897 7.353 1.00 0.00 H new ATOM 934 N GLN A 69 3.763 9.422 0.904 1.00 0.00 N ATOM 935 CA GLN A 69 2.844 9.038 -0.145 1.00 0.00 C ATOM 936 C GLN A 69 2.038 7.795 0.201 1.00 0.00 C ATOM 937 O GLN A 69 1.107 7.514 -0.553 1.00 0.00 O ATOM 938 CB GLN A 69 3.698 8.755 -1.368 1.00 0.00 C ATOM 939 CG GLN A 69 4.128 9.964 -2.202 1.00 0.00 C ATOM 940 CD GLN A 69 5.210 9.620 -3.208 1.00 0.00 C ATOM 941 OE1 GLN A 69 4.899 9.161 -4.312 1.00 0.00 O ATOM 942 NE2 GLN A 69 6.459 9.897 -2.831 1.00 0.00 N ATOM 0 H GLN A 69 4.737 9.353 0.609 1.00 0.00 H new ATOM 0 HA GLN A 69 2.120 9.837 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.596 8.230 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.148 8.073 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.262 10.365 -2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.490 10.749 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.639 10.275 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.234 9.731 -3.473 1.00 0.00 H new ATOM 951 N LEU A 70 2.572 6.900 1.049 1.00 0.00 N ATOM 952 CA LEU A 70 2.055 5.566 1.259 1.00 0.00 C ATOM 953 C LEU A 70 1.043 5.647 2.393 1.00 0.00 C ATOM 954 O LEU A 70 0.001 5.004 2.353 1.00 0.00 O ATOM 955 CB LEU A 70 3.180 4.614 1.663 1.00 0.00 C ATOM 956 CG LEU A 70 3.992 4.128 0.466 1.00 0.00 C ATOM 957 CD1 LEU A 70 5.274 3.489 1.005 1.00 0.00 C ATOM 958 CD2 LEU A 70 3.147 3.188 -0.394 1.00 0.00 C ATOM 0 H LEU A 70 3.396 7.104 1.615 1.00 0.00 H new ATOM 0 HA LEU A 70 1.600 5.192 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.842 5.118 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.756 3.755 2.183 1.00 0.00 H new ATOM 0 HG LEU A 70 4.276 4.948 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.879 3.130 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.839 4.229 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.018 2.652 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.735 2.847 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.838 2.329 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.264 3.717 -0.752 1.00 0.00 H new ATOM 970 N GLU A 71 1.272 6.566 3.332 1.00 0.00 N ATOM 971 CA GLU A 71 0.161 7.194 4.027 1.00 0.00 C ATOM 972 C GLU A 71 -0.850 7.719 3.026 1.00 0.00 C ATOM 973 O GLU A 71 -2.060 7.659 3.249 1.00 0.00 O ATOM 974 CB GLU A 71 0.641 8.344 4.896 1.00 0.00 C ATOM 975 CG GLU A 71 1.155 7.933 6.262 1.00 0.00 C ATOM 976 CD GLU A 71 0.316 8.447 7.435 1.00 0.00 C ATOM 977 OE1 GLU A 71 0.500 9.643 7.753 1.00 0.00 O ATOM 978 OE2 GLU A 71 -0.563 7.801 8.037 1.00 0.00 O ATOM 0 H GLU A 71 2.198 6.883 3.620 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.304 6.441 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.434 8.874 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.180 9.049 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.195 6.845 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.177 8.295 6.376 1.00 0.00 H new ATOM 985 N LYS A 72 -0.385 8.136 1.851 1.00 0.00 N ATOM 986 CA LYS A 72 -1.260 8.999 1.070 1.00 0.00 C ATOM 987 C LYS A 72 -2.384 8.304 0.315 1.00 0.00 C ATOM 988 O LYS A 72 -3.511 8.789 0.164 1.00 0.00 O ATOM 989 CB LYS A 72 -0.493 9.985 0.184 1.00 0.00 C ATOM 990 CG LYS A 72 -1.153 11.332 -0.074 1.00 0.00 C ATOM 991 CD LYS A 72 -0.366 11.956 -1.224 1.00 0.00 C ATOM 992 CE LYS A 72 -0.836 13.367 -1.560 1.00 0.00 C ATOM 993 NZ LYS A 72 -2.028 13.396 -2.423 1.00 0.00 N ATOM 0 H LYS A 72 0.523 7.912 1.443 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.777 9.576 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.480 10.165 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.310 9.506 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.204 11.211 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.118 11.963 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.692 11.982 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.461 11.326 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.054 13.900 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.026 13.904 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.295 14.383 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.818 12.915 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.814 12.911 -1.946 1.00 0.00 H new ATOM 1007 N ILE A 73 -2.221 7.020 -0.039 1.00 0.00 N ATOM 1008 CA ILE A 73 -3.272 6.150 -0.521 1.00 0.00 C ATOM 1009 C ILE A 73 -4.453 6.004 0.433 1.00 0.00 C ATOM 1010 O ILE A 73 -5.589 6.096 -0.035 1.00 0.00 O ATOM 1011 CB ILE A 73 -2.711 4.887 -1.147 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -1.795 4.106 -0.199 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -1.935 5.217 -2.427 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -1.511 2.670 -0.604 1.00 0.00 C ATOM 0 H ILE A 73 -1.315 6.554 0.009 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.764 6.650 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.570 4.257 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.847 4.637 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.245 4.104 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.541 4.298 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.601 5.699 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.110 5.889 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.854 2.207 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.447 2.114 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.027 2.656 -1.581 1.00 0.00 H new ATOM 1026 N LEU A 74 -4.270 5.840 1.737 1.00 0.00 N ATOM 1027 CA LEU A 74 -5.271 5.429 2.706 1.00 0.00 C ATOM 1028 C LEU A 74 -6.491 6.333 2.855 1.00 0.00 C ATOM 1029 O LEU A 74 -7.609 5.849 3.051 1.00 0.00 O ATOM 1030 CB LEU A 74 -4.585 5.162 4.038 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.211 4.497 4.079 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -2.759 4.496 5.538 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -3.211 3.022 3.676 1.00 0.00 C ATOM 0 H LEU A 74 -3.361 6.001 2.170 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.715 4.517 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.495 6.119 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.260 4.544 4.630 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.580 5.051 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.778 4.028 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.701 5.522 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.475 3.937 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.196 2.629 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.856 2.460 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.581 2.924 2.655 1.00 0.00 H new ATOM 1045 N GLY A 75 -6.261 7.638 2.709 1.00 0.00 N ATOM 1046 CA GLY A 75 -7.331 8.541 3.058 1.00 0.00 C ATOM 1047 C GLY A 75 -7.599 8.635 4.555 1.00 0.00 C ATOM 1048 O GLY A 75 -8.365 9.497 4.983 1.00 0.00 O ATOM 0 H GLY A 75 -5.397 8.064 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.092 9.535 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.243 8.219 2.556 1.00 0.00 H new ATOM 1052 N ILE A 76 -6.903 7.791 5.326 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.741 7.920 6.756 1.00 0.00 C ATOM 1054 C ILE A 76 -5.292 8.182 7.174 1.00 0.00 C ATOM 1055 O ILE A 76 -4.503 8.550 6.311 1.00 0.00 O ATOM 1056 CB ILE A 76 -7.227 6.637 7.419 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -6.634 5.318 6.929 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.752 6.606 7.308 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -7.041 4.037 7.651 1.00 0.00 C ATOM 0 H ILE A 76 -6.425 6.974 4.945 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.326 8.782 7.075 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.868 6.689 8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.895 5.205 5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.548 5.400 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.132 5.697 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.171 7.476 7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.041 6.622 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.540 3.185 7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.753 4.104 8.700 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.121 3.906 7.578 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.930 7.975 8.442 1.00 0.00 N ATOM 1072 CA LYS A 77 -3.581 7.974 8.954 1.00 0.00 C ATOM 1073 C LYS A 77 -3.173 6.654 9.604 1.00 0.00 C ATOM 1074 O LYS A 77 -4.078 6.058 10.169 1.00 0.00 O ATOM 1075 CB LYS A 77 -3.343 9.057 10.005 1.00 0.00 C ATOM 1076 CG LYS A 77 -3.913 10.421 9.627 1.00 0.00 C ATOM 1077 CD LYS A 77 -3.219 11.138 8.480 1.00 0.00 C ATOM 1078 CE LYS A 77 -1.863 11.653 8.991 1.00 0.00 C ATOM 1079 NZ LYS A 77 -1.050 11.937 7.792 1.00 0.00 N ATOM 0 H LYS A 77 -5.620 7.794 9.172 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.980 8.156 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.786 8.738 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.271 9.156 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.964 10.294 9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.877 11.064 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.076 10.461 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.831 11.966 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.991 12.551 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.378 10.909 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.658 12.898 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.272 11.249 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.646 11.864 6.943 1.00 0.00 H new ATOM 1093 N LEU A 78 -1.895 6.260 9.587 1.00 0.00 N ATOM 1094 CA LEU A 78 -1.356 5.082 10.237 1.00 0.00 C ATOM 1095 C LEU A 78 0.083 5.145 10.720 1.00 0.00 C ATOM 1096 O LEU A 78 0.840 5.946 10.182 1.00 0.00 O ATOM 1097 CB LEU A 78 -1.552 3.818 9.405 1.00 0.00 C ATOM 1098 CG LEU A 78 -2.986 3.363 9.267 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -2.986 2.131 8.375 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -3.664 2.951 10.572 1.00 0.00 C ATOM 0 H LEU A 78 -1.179 6.789 9.090 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.957 5.047 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.143 3.989 8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.972 3.012 9.854 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.539 4.216 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.008 1.771 8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.571 2.387 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.380 1.350 8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.689 2.641 10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.117 2.122 11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.671 3.796 11.261 1.00 0.00 H new