USER MOD reduce.3.24.130724 H: found=0, std=0, add=319, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 319 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.14) USER MOD Single : B 8 LYS NZ :NH3+ 151:sc= 1.34 (180deg=1.06) USER MOD Single : B 10 MET CE :methyl -176:sc= 0 (180deg=-0.0308) USER MOD Single : B 11 SER OG : rot 50:sc= 0.233 USER MOD Single : B 13 SER OG : rot 7:sc= 0.961 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot -31:sc= 1.31 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : B 22 HIS : no HE2:sc= 0.431 K(o=0.43,f=-3.6!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 83:sc= 1.58 USER MOD Single : B 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 SER OG : rot -17:sc= 0.613 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 5 -43.602 0.254 52.651 1.00 0.00 N ATOM 69 CA VAL A 5 -43.570 0.637 51.198 1.00 0.00 C ATOM 70 C VAL A 5 -44.951 0.277 50.519 1.00 0.00 C ATOM 71 O VAL A 5 -45.347 -0.890 50.411 1.00 0.00 O ATOM 72 CB VAL A 5 -42.306 0.198 50.368 1.00 0.00 C ATOM 73 CG1 VAL A 5 -42.129 0.953 49.032 1.00 0.00 C ATOM 74 CG2 VAL A 5 -40.942 0.337 51.094 1.00 0.00 C ATOM 0 HA VAL A 5 -43.439 1.719 51.184 1.00 0.00 H new ATOM 0 HB VAL A 5 -42.541 -0.854 50.208 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -41.235 0.590 48.524 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -43.000 0.783 48.400 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -42.026 2.020 49.228 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -40.142 0.007 50.431 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -40.780 1.380 51.368 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -40.944 -0.278 51.994 1.00 0.00 H new ATOM 84 N ARG A 6 -45.713 1.304 50.117 1.00 0.00 N ATOM 85 CA ARG A 6 -47.138 1.163 49.685 1.00 0.00 C ATOM 86 C ARG A 6 -47.531 2.120 48.505 1.00 0.00 C ATOM 87 O ARG A 6 -47.074 3.261 48.408 1.00 0.00 O ATOM 88 CB ARG A 6 -48.045 1.405 50.933 1.00 0.00 C ATOM 89 CG ARG A 6 -49.467 0.797 50.811 1.00 0.00 C ATOM 90 CD ARG A 6 -50.500 1.353 51.818 1.00 0.00 C ATOM 91 NE ARG A 6 -51.058 2.682 51.406 1.00 0.00 N ATOM 92 CZ ARG A 6 -52.001 2.868 50.482 1.00 0.00 C ATOM 93 NH1 ARG A 6 -52.531 1.903 49.789 1.00 0.00 N ATOM 94 NH2 ARG A 6 -52.396 4.074 50.236 1.00 0.00 N ATOM 0 H ARG A 6 -45.371 2.264 50.077 1.00 0.00 H new ATOM 0 HA ARG A 6 -47.280 0.157 49.291 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -47.556 0.984 51.811 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -48.134 2.478 51.101 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -49.836 0.972 49.800 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -49.397 -0.283 50.943 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -51.317 0.639 51.925 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -50.030 1.449 52.797 1.00 0.00 H new ATOM 0 HE ARG A 6 -50.686 3.511 51.870 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -52.228 0.941 49.940 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -53.250 2.109 49.095 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -51.987 4.858 50.744 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -53.116 4.241 49.533 1.00 0.00 H new ATOM 125 N PRO A 8 -50.106 4.767 46.090 1.00 0.00 N ATOM 126 CA PRO A 8 -51.127 5.814 46.389 1.00 0.00 C ATOM 127 C PRO A 8 -52.626 5.325 46.551 1.00 0.00 C ATOM 128 O PRO A 8 -53.130 5.476 47.671 1.00 0.00 O ATOM 129 CB PRO A 8 -50.807 6.906 45.340 1.00 0.00 C ATOM 130 CG PRO A 8 -49.915 6.261 44.275 1.00 0.00 C ATOM 131 CD PRO A 8 -49.181 5.157 45.021 1.00 0.00 C ATOM 0 HA PRO A 8 -51.055 6.211 47.402 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -51.724 7.291 44.893 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -50.300 7.751 45.806 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -50.505 5.860 43.451 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -49.219 6.983 43.847 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -48.954 4.317 44.365 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -48.233 5.512 45.425 1.00 0.00 H new ATOM 139 N PRO A 9 -53.361 4.703 45.574 1.00 0.00 N ATOM 140 CA PRO A 9 -54.718 4.130 45.820 1.00 0.00 C ATOM 141 C PRO A 9 -54.671 2.713 46.513 1.00 0.00 C ATOM 142 O PRO A 9 -54.289 2.616 47.684 1.00 0.00 O ATOM 143 CB PRO A 9 -55.297 4.248 44.387 1.00 0.00 C ATOM 144 CG PRO A 9 -54.111 3.944 43.464 1.00 0.00 C ATOM 145 CD PRO A 9 -52.932 4.610 44.166 1.00 0.00 C ATOM 0 HA PRO A 9 -55.355 4.624 46.553 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -56.113 3.542 44.230 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -55.698 5.245 44.202 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -53.956 2.871 43.350 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -54.265 4.352 42.465 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -52.022 4.019 44.064 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -52.722 5.594 43.747 1.00 0.00 H new ATOM 153 N LYS A 10 -55.052 1.622 45.826 1.00 0.00 N ATOM 154 CA LYS A 10 -54.807 0.219 46.275 1.00 0.00 C ATOM 155 C LYS A 10 -54.833 -0.801 45.078 1.00 0.00 C ATOM 156 O LYS A 10 -55.464 -0.574 44.039 1.00 0.00 O ATOM 157 CB LYS A 10 -55.763 -0.201 47.441 1.00 0.00 C ATOM 158 CG LYS A 10 -57.279 -0.318 47.133 1.00 0.00 C ATOM 159 CD LYS A 10 -58.033 -1.058 48.260 1.00 0.00 C ATOM 160 CE LYS A 10 -59.528 -1.255 47.952 1.00 0.00 C ATOM 161 NZ LYS A 10 -60.127 -2.098 49.022 1.00 0.00 N ATOM 0 H LYS A 10 -55.544 1.678 44.934 1.00 0.00 H new ATOM 0 HA LYS A 10 -53.795 0.190 46.680 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -55.424 -1.165 47.820 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -55.641 0.520 48.249 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -57.703 0.678 47.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -57.420 -0.848 46.191 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -57.569 -2.031 48.422 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -57.929 -0.497 49.189 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -60.034 -0.291 47.902 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -59.654 -1.732 46.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -61.139 -2.240 48.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -59.647 -3.020 49.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -60.015 -1.624 49.941 1.00 0.00 H new ATOM 213 N LYS B 1 -31.693 8.827 32.679 1.00 0.00 N ATOM 214 CA LYS B 1 -31.284 7.963 33.834 1.00 0.00 C ATOM 215 C LYS B 1 -32.224 7.928 35.108 1.00 0.00 C ATOM 216 O LYS B 1 -31.701 7.659 36.189 1.00 0.00 O ATOM 217 CB LYS B 1 -29.818 8.371 34.210 1.00 0.00 C ATOM 218 CG LYS B 1 -29.603 9.732 34.955 1.00 0.00 C ATOM 219 CD LYS B 1 -28.577 9.701 36.120 1.00 0.00 C ATOM 220 CE LYS B 1 -28.967 8.929 37.408 1.00 0.00 C ATOM 221 NZ LYS B 1 -30.053 9.603 38.187 1.00 0.00 N ATOM 0 H1 LYS B 1 -30.986 8.750 31.921 1.00 0.00 H new ATOM 0 H2 LYS B 1 -32.618 8.514 32.322 1.00 0.00 H new ATOM 0 H3 LYS B 1 -31.759 9.817 32.992 1.00 0.00 H new ATOM 0 HA LYS B 1 -31.371 6.933 33.488 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -29.400 7.580 34.832 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -29.232 8.397 33.291 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -29.279 10.477 34.228 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -30.563 10.067 35.348 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -27.651 9.270 35.739 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -28.358 10.731 36.401 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -29.291 7.924 37.139 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -28.086 8.821 38.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -30.294 9.025 39.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -29.726 10.539 38.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -30.894 9.713 37.586 1.00 0.00 H new ATOM 237 N LEU B 2 -33.532 8.272 35.036 1.00 0.00 N ATOM 238 CA LEU B 2 -34.353 8.734 36.213 1.00 0.00 C ATOM 239 C LEU B 2 -33.770 9.898 37.125 1.00 0.00 C ATOM 240 O LEU B 2 -32.562 10.166 37.052 1.00 0.00 O ATOM 241 CB LEU B 2 -34.993 7.535 36.981 1.00 0.00 C ATOM 242 CG LEU B 2 -34.136 6.896 38.102 1.00 0.00 C ATOM 243 CD1 LEU B 2 -34.517 7.472 39.460 1.00 0.00 C ATOM 244 CD2 LEU B 2 -34.284 5.367 38.140 1.00 0.00 C ATOM 0 H LEU B 2 -34.061 8.242 34.165 1.00 0.00 H new ATOM 0 HA LEU B 2 -35.168 9.290 35.750 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -35.932 7.873 37.420 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -35.241 6.759 36.257 1.00 0.00 H new ATOM 0 HG LEU B 2 -33.095 7.132 37.879 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -33.905 7.011 40.235 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -34.350 8.549 39.458 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -35.569 7.268 39.660 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -33.666 4.961 38.941 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -35.327 5.107 38.320 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -33.964 4.947 37.186 1.00 0.00 H new ATOM 256 N PRO B 3 -34.541 10.612 38.000 1.00 0.00 N ATOM 257 CA PRO B 3 -33.994 11.750 38.791 1.00 0.00 C ATOM 258 C PRO B 3 -33.098 11.521 40.086 1.00 0.00 C ATOM 259 O PRO B 3 -33.162 10.467 40.744 1.00 0.00 O ATOM 260 CB PRO B 3 -35.250 12.615 39.016 1.00 0.00 C ATOM 261 CG PRO B 3 -36.327 12.097 38.078 1.00 0.00 C ATOM 262 CD PRO B 3 -36.022 10.610 37.984 1.00 0.00 C ATOM 0 HA PRO B 3 -33.180 12.206 38.227 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -35.580 12.551 40.053 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -35.036 13.664 38.813 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -37.326 12.279 38.473 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -36.277 12.580 37.102 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -36.441 10.051 38.821 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -36.422 10.166 37.073 1.00 0.00 H new ATOM 270 N PRO B 4 -32.229 12.500 40.492 1.00 0.00 N ATOM 271 CA PRO B 4 -31.441 12.417 41.752 1.00 0.00 C ATOM 272 C PRO B 4 -32.319 12.643 43.028 1.00 0.00 C ATOM 273 O PRO B 4 -33.135 13.567 43.095 1.00 0.00 O ATOM 274 CB PRO B 4 -30.383 13.510 41.507 1.00 0.00 C ATOM 275 CG PRO B 4 -31.094 14.592 40.689 1.00 0.00 C ATOM 276 CD PRO B 4 -32.185 13.858 39.906 1.00 0.00 C ATOM 0 HA PRO B 4 -31.007 11.438 41.957 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -30.009 13.912 42.449 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -29.524 13.111 40.967 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -31.522 15.357 41.337 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -30.400 15.096 40.017 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -33.147 14.361 40.003 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -31.951 13.821 38.842 1.00 0.00 H new ATOM 284 N GLY B 5 -32.189 11.742 44.005 1.00 0.00 N ATOM 285 CA GLY B 5 -33.215 11.592 45.076 1.00 0.00 C ATOM 286 C GLY B 5 -34.325 10.536 44.875 1.00 0.00 C ATOM 287 O GLY B 5 -35.375 10.685 45.500 1.00 0.00 O ATOM 0 H GLY B 5 -31.397 11.105 44.089 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -32.696 11.358 46.005 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -33.696 12.560 45.215 1.00 0.00 H new ATOM 291 N TRP B 6 -34.111 9.466 44.092 1.00 0.00 N ATOM 292 CA TRP B 6 -35.068 8.341 43.972 1.00 0.00 C ATOM 293 C TRP B 6 -34.544 6.948 44.444 1.00 0.00 C ATOM 294 O TRP B 6 -33.342 6.744 44.634 1.00 0.00 O ATOM 295 CB TRP B 6 -35.291 8.337 42.440 1.00 0.00 C ATOM 296 CG TRP B 6 -36.450 9.198 41.982 1.00 0.00 C ATOM 297 CD1 TRP B 6 -36.345 10.540 41.599 1.00 0.00 C ATOM 298 CD2 TRP B 6 -37.790 8.910 42.022 1.00 0.00 C ATOM 299 NE1 TRP B 6 -37.605 11.128 41.414 1.00 0.00 N ATOM 300 CE2 TRP B 6 -38.482 10.102 41.698 1.00 0.00 C ATOM 301 CE3 TRP B 6 -38.496 7.725 42.367 1.00 0.00 C ATOM 302 CZ2 TRP B 6 -39.885 10.123 41.694 1.00 0.00 C ATOM 303 CZ3 TRP B 6 -39.886 7.828 42.472 1.00 0.00 C ATOM 304 CH2 TRP B 6 -40.577 8.991 42.118 1.00 0.00 C ATOM 0 H TRP B 6 -33.272 9.351 43.523 1.00 0.00 H new ATOM 0 HA TRP B 6 -35.943 8.483 44.606 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -34.380 8.682 41.950 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -35.462 7.312 42.111 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -35.408 11.060 41.463 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -37.821 12.085 41.136 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -37.983 6.790 42.540 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -40.420 11.003 41.367 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -40.445 6.980 42.839 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -41.655 9.012 42.174 1.00 0.00 H new ATOM 315 N GLU B 7 -35.456 5.952 44.509 1.00 0.00 N ATOM 316 CA GLU B 7 -35.105 4.541 44.239 1.00 0.00 C ATOM 317 C GLU B 7 -36.338 3.667 43.823 1.00 0.00 C ATOM 318 O GLU B 7 -37.418 3.733 44.403 1.00 0.00 O ATOM 319 CB GLU B 7 -34.318 3.932 45.449 1.00 0.00 C ATOM 320 CG GLU B 7 -33.123 3.009 45.104 1.00 0.00 C ATOM 321 CD GLU B 7 -33.464 1.645 44.565 1.00 0.00 C ATOM 322 OE1 GLU B 7 -33.757 0.724 45.357 1.00 0.00 O ATOM 323 OE2 GLU B 7 -33.437 1.474 43.332 1.00 0.00 O ATOM 0 H GLU B 7 -36.437 6.099 44.745 1.00 0.00 H new ATOM 0 HA GLU B 7 -34.447 4.531 43.370 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -33.948 4.753 46.063 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.020 3.366 46.062 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -32.498 3.519 44.371 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -32.520 2.880 46.003 1.00 0.00 H new ATOM 330 N LYS B 8 -36.162 2.814 42.812 1.00 0.00 N ATOM 331 CA LYS B 8 -37.190 1.824 42.358 1.00 0.00 C ATOM 332 C LYS B 8 -37.515 0.680 43.389 1.00 0.00 C ATOM 333 O LYS B 8 -36.589 0.034 43.894 1.00 0.00 O ATOM 334 CB LYS B 8 -36.825 1.360 40.911 1.00 0.00 C ATOM 335 CG LYS B 8 -35.479 0.637 40.657 1.00 0.00 C ATOM 336 CD LYS B 8 -35.514 -0.877 40.970 1.00 0.00 C ATOM 337 CE LYS B 8 -34.138 -1.477 41.340 1.00 0.00 C ATOM 338 NZ LYS B 8 -33.857 -1.078 42.763 1.00 0.00 N ATOM 0 H LYS B 8 -35.300 2.776 42.268 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.161 2.318 42.314 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -37.621 0.697 40.570 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -36.848 2.241 40.270 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -35.194 0.776 39.614 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -34.705 1.106 41.265 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.207 -1.051 41.793 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -35.908 -1.407 40.103 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.150 -2.562 41.238 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.361 -1.103 40.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.257 -1.798 43.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -33.366 -0.161 42.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.753 -0.998 43.285 1.00 0.00 H new ATOM 352 N ARG B 9 -38.800 0.426 43.755 1.00 0.00 N ATOM 353 CA ARG B 9 -39.118 -0.463 44.923 1.00 0.00 C ATOM 354 C ARG B 9 -40.278 -1.413 44.584 1.00 0.00 C ATOM 355 O ARG B 9 -41.399 -0.973 44.342 1.00 0.00 O ATOM 356 CB ARG B 9 -39.417 0.321 46.225 1.00 0.00 C ATOM 357 CG ARG B 9 -38.168 1.029 46.774 1.00 0.00 C ATOM 358 CD ARG B 9 -38.149 1.206 48.309 1.00 0.00 C ATOM 359 NE ARG B 9 -37.063 2.096 48.830 1.00 0.00 N ATOM 360 CZ ARG B 9 -35.756 1.987 48.525 1.00 0.00 C ATOM 361 NH1 ARG B 9 -35.237 0.982 47.875 1.00 0.00 N ATOM 362 NH2 ARG B 9 -34.946 2.926 48.867 1.00 0.00 N ATOM 0 H ARG B 9 -39.617 0.808 43.278 1.00 0.00 H new ATOM 0 HA ARG B 9 -38.219 -1.049 45.115 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -40.196 1.059 46.033 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -39.806 -0.364 46.979 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -37.286 0.463 46.476 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.089 2.011 46.308 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -39.111 1.609 48.625 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -38.047 0.224 48.772 1.00 0.00 H new ATOM 0 HE ARG B 9 -37.335 2.845 49.467 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -35.832 0.214 47.564 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.236 0.964 47.678 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -35.295 3.745 49.365 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -33.954 2.852 48.640 1.00 0.00 H new ATOM 376 N MET B 10 -39.966 -2.703 44.483 1.00 0.00 N ATOM 377 CA MET B 10 -40.542 -3.535 43.391 1.00 0.00 C ATOM 378 C MET B 10 -41.502 -4.680 43.812 1.00 0.00 C ATOM 379 O MET B 10 -41.238 -5.459 44.730 1.00 0.00 O ATOM 380 CB MET B 10 -39.410 -4.093 42.489 1.00 0.00 C ATOM 381 CG MET B 10 -38.648 -3.010 41.710 1.00 0.00 C ATOM 382 SD MET B 10 -37.835 -3.716 40.267 1.00 0.00 S ATOM 383 CE MET B 10 -39.137 -3.365 39.071 1.00 0.00 C ATOM 0 H MET B 10 -39.338 -3.198 45.116 1.00 0.00 H new ATOM 0 HA MET B 10 -41.183 -2.842 42.846 1.00 0.00 H new ATOM 0 HB2 MET B 10 -38.704 -4.647 43.108 1.00 0.00 H new ATOM 0 HB3 MET B 10 -39.838 -4.803 41.781 1.00 0.00 H new ATOM 0 HG2 MET B 10 -39.338 -2.226 41.397 1.00 0.00 H new ATOM 0 HG3 MET B 10 -37.907 -2.542 42.358 1.00 0.00 H new ATOM 0 HE1 MET B 10 -38.867 -3.789 38.104 1.00 0.00 H new ATOM 0 HE2 MET B 10 -40.073 -3.807 39.412 1.00 0.00 H new ATOM 0 HE3 MET B 10 -39.260 -2.286 38.973 1.00 0.00 H new ATOM 393 N SER B 11 -42.551 -4.864 42.994 1.00 0.00 N ATOM 394 CA SER B 11 -43.016 -6.229 42.578 1.00 0.00 C ATOM 395 C SER B 11 -43.484 -7.206 43.710 1.00 0.00 C ATOM 396 O SER B 11 -42.888 -8.261 43.941 1.00 0.00 O ATOM 397 CB SER B 11 -42.031 -6.865 41.557 1.00 0.00 C ATOM 398 OG SER B 11 -40.822 -7.298 42.183 1.00 0.00 O ATOM 0 H SER B 11 -43.101 -4.100 42.601 1.00 0.00 H new ATOM 0 HA SER B 11 -43.965 -6.048 42.073 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.511 -7.713 41.069 1.00 0.00 H new ATOM 0 HB3 SER B 11 -41.797 -6.140 40.778 1.00 0.00 H new ATOM 0 HG SER B 11 -41.037 -7.837 42.973 1.00 0.00 H new ATOM 404 N ARG B 12 -44.579 -6.856 44.399 1.00 0.00 N ATOM 405 CA ARG B 12 -45.122 -7.683 45.528 1.00 0.00 C ATOM 406 C ARG B 12 -46.155 -8.810 45.137 1.00 0.00 C ATOM 407 O ARG B 12 -46.492 -9.645 45.979 1.00 0.00 O ATOM 408 CB ARG B 12 -45.726 -6.723 46.591 1.00 0.00 C ATOM 409 CG ARG B 12 -44.766 -5.669 47.228 1.00 0.00 C ATOM 410 CD ARG B 12 -45.411 -4.688 48.233 1.00 0.00 C ATOM 411 NE ARG B 12 -46.539 -3.965 47.589 1.00 0.00 N ATOM 412 CZ ARG B 12 -47.590 -3.547 48.253 1.00 0.00 C ATOM 413 NH1 ARG B 12 -47.502 -2.691 49.211 1.00 0.00 N ATOM 414 NH2 ARG B 12 -48.765 -3.878 47.842 1.00 0.00 N ATOM 0 H ARG B 12 -45.117 -6.011 44.208 1.00 0.00 H new ATOM 0 HA ARG B 12 -44.276 -8.247 45.920 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -46.557 -6.188 46.130 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -46.144 -7.329 47.395 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -43.960 -6.200 47.735 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -44.311 -5.089 46.425 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -45.769 -5.233 49.106 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -44.666 -3.975 48.586 1.00 0.00 H new ATOM 0 HE ARG B 12 -46.494 -3.786 46.586 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -46.592 -2.314 49.476 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -48.342 -2.390 49.704 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -48.869 -4.458 47.010 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -49.591 -3.560 48.349 1.00 0.00 H new ATOM 428 N SER B 13 -46.689 -8.832 43.902 1.00 0.00 N ATOM 429 CA SER B 13 -47.441 -10.000 43.352 1.00 0.00 C ATOM 430 C SER B 13 -47.128 -10.108 41.818 1.00 0.00 C ATOM 431 O SER B 13 -45.975 -10.362 41.463 1.00 0.00 O ATOM 432 CB SER B 13 -48.934 -9.923 43.782 1.00 0.00 C ATOM 433 OG SER B 13 -49.076 -10.026 45.200 1.00 0.00 O ATOM 0 H SER B 13 -46.618 -8.050 43.251 1.00 0.00 H new ATOM 0 HA SER B 13 -47.119 -10.954 43.769 1.00 0.00 H new ATOM 0 HB2 SER B 13 -49.364 -8.982 43.440 1.00 0.00 H new ATOM 0 HB3 SER B 13 -49.494 -10.724 43.300 1.00 0.00 H new ATOM 0 HG SER B 13 -48.190 -10.020 45.619 1.00 0.00 H new ATOM 439 N SER B 14 -48.076 -9.872 40.888 1.00 0.00 N ATOM 440 CA SER B 14 -47.831 -10.062 39.420 1.00 0.00 C ATOM 441 C SER B 14 -47.203 -8.821 38.679 1.00 0.00 C ATOM 442 O SER B 14 -47.755 -8.299 37.704 1.00 0.00 O ATOM 443 CB SER B 14 -49.175 -10.529 38.800 1.00 0.00 C ATOM 444 OG SER B 14 -49.674 -11.733 39.391 1.00 0.00 O ATOM 0 H SER B 14 -49.018 -9.551 41.113 1.00 0.00 H new ATOM 0 HA SER B 14 -47.055 -10.816 39.286 1.00 0.00 H new ATOM 0 HB2 SER B 14 -49.917 -9.739 38.917 1.00 0.00 H new ATOM 0 HB3 SER B 14 -49.041 -10.685 37.730 1.00 0.00 H new ATOM 0 HG SER B 14 -50.521 -11.980 38.965 1.00 0.00 H new ATOM 450 N GLY B 15 -46.037 -8.336 39.145 1.00 0.00 N ATOM 451 CA GLY B 15 -45.361 -7.138 38.576 1.00 0.00 C ATOM 452 C GLY B 15 -46.003 -5.792 38.962 1.00 0.00 C ATOM 453 O GLY B 15 -46.390 -5.029 38.075 1.00 0.00 O ATOM 0 H GLY B 15 -45.532 -8.757 39.925 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -44.321 -7.136 38.902 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -45.354 -7.223 37.489 1.00 0.00 H new ATOM 457 N ARG B 16 -46.196 -5.535 40.269 1.00 0.00 N ATOM 458 CA ARG B 16 -46.777 -4.260 40.763 1.00 0.00 C ATOM 459 C ARG B 16 -45.956 -3.657 41.943 1.00 0.00 C ATOM 460 O ARG B 16 -45.429 -4.360 42.802 1.00 0.00 O ATOM 461 CB ARG B 16 -48.287 -4.365 41.127 1.00 0.00 C ATOM 462 CG ARG B 16 -49.271 -4.360 39.931 1.00 0.00 C ATOM 463 CD ARG B 16 -49.523 -5.777 39.405 1.00 0.00 C ATOM 464 NE ARG B 16 -50.468 -5.790 38.251 1.00 0.00 N ATOM 465 CZ ARG B 16 -50.120 -5.727 36.968 1.00 0.00 C ATOM 466 NH1 ARG B 16 -48.895 -5.566 36.550 1.00 0.00 N ATOM 467 NH2 ARG B 16 -51.054 -5.823 36.077 1.00 0.00 N ATOM 0 H ARG B 16 -45.958 -6.194 41.010 1.00 0.00 H new ATOM 0 HA ARG B 16 -46.710 -3.571 39.921 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -48.441 -5.282 41.696 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -48.541 -3.534 41.786 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -50.216 -3.911 40.238 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -48.869 -3.740 39.130 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -48.576 -6.224 39.102 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -49.925 -6.395 40.208 1.00 0.00 H new ATOM 0 HE ARG B 16 -51.464 -5.852 38.463 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -48.134 -5.480 37.223 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -48.698 -5.526 35.550 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -52.025 -5.943 36.367 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -50.819 -5.778 35.085 1.00 0.00 H new ATOM 481 N VAL B 17 -45.898 -2.328 41.951 1.00 0.00 N ATOM 482 CA VAL B 17 -44.857 -1.515 42.662 1.00 0.00 C ATOM 483 C VAL B 17 -43.436 -1.520 42.005 1.00 0.00 C ATOM 484 O VAL B 17 -43.000 -2.542 41.476 1.00 0.00 O ATOM 485 CB VAL B 17 -45.009 -1.393 44.221 1.00 0.00 C ATOM 486 CG1 VAL B 17 -44.299 -2.461 45.074 1.00 0.00 C ATOM 487 CG2 VAL B 17 -44.648 -0.002 44.789 1.00 0.00 C ATOM 0 H VAL B 17 -46.580 -1.752 41.458 1.00 0.00 H new ATOM 0 HA VAL B 17 -45.116 -0.479 42.443 1.00 0.00 H new ATOM 0 HB VAL B 17 -46.081 -1.568 44.317 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -44.482 -2.264 46.130 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -44.685 -3.448 44.817 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -43.227 -2.429 44.879 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -44.781 -0.005 45.871 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -43.610 0.230 44.551 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -45.299 0.752 44.346 1.00 0.00 H new ATOM 497 N TYR B 18 -42.783 -0.340 41.904 1.00 0.00 N ATOM 498 CA TYR B 18 -41.546 -0.086 41.129 1.00 0.00 C ATOM 499 C TYR B 18 -40.940 1.369 41.297 1.00 0.00 C ATOM 500 O TYR B 18 -39.912 1.638 40.682 1.00 0.00 O ATOM 501 CB TYR B 18 -41.585 -0.619 39.659 1.00 0.00 C ATOM 502 CG TYR B 18 -42.872 -0.361 38.857 1.00 0.00 C ATOM 503 CD1 TYR B 18 -43.218 0.956 38.586 1.00 0.00 C ATOM 504 CD2 TYR B 18 -43.844 -1.362 38.754 1.00 0.00 C ATOM 505 CE1 TYR B 18 -44.543 1.301 38.357 1.00 0.00 C ATOM 506 CE2 TYR B 18 -45.174 -1.020 38.540 1.00 0.00 C ATOM 507 CZ TYR B 18 -45.528 0.314 38.347 1.00 0.00 C ATOM 508 OH TYR B 18 -46.850 0.656 38.255 1.00 0.00 O ATOM 0 H TYR B 18 -43.118 0.497 42.381 1.00 0.00 H new ATOM 0 HA TYR B 18 -40.802 -0.718 41.613 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -40.752 -0.174 39.115 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -41.411 -1.695 39.684 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.452 1.716 38.553 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.561 -2.401 38.841 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -44.811 2.333 38.187 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -45.933 -1.788 38.523 1.00 0.00 H new ATOM 0 HH TYR B 18 -46.992 1.529 38.677 1.00 0.00 H new ATOM 518 N TYR B 19 -41.427 2.258 42.191 1.00 0.00 N ATOM 519 CA TYR B 19 -40.845 3.624 42.439 1.00 0.00 C ATOM 520 C TYR B 19 -40.983 4.084 43.948 1.00 0.00 C ATOM 521 O TYR B 19 -41.933 3.765 44.669 1.00 0.00 O ATOM 522 CB TYR B 19 -41.442 4.664 41.440 1.00 0.00 C ATOM 523 CG TYR B 19 -40.914 4.696 39.994 1.00 0.00 C ATOM 524 CD1 TYR B 19 -39.686 5.288 39.670 1.00 0.00 C ATOM 525 CD2 TYR B 19 -41.709 4.188 38.968 1.00 0.00 C ATOM 526 CE1 TYR B 19 -39.248 5.329 38.347 1.00 0.00 C ATOM 527 CE2 TYR B 19 -41.264 4.207 37.648 1.00 0.00 C ATOM 528 CZ TYR B 19 -40.035 4.782 37.340 1.00 0.00 C ATOM 529 OH TYR B 19 -39.607 4.816 36.041 1.00 0.00 O ATOM 0 H TYR B 19 -42.241 2.060 42.772 1.00 0.00 H new ATOM 0 HA TYR B 19 -39.773 3.562 42.254 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -42.518 4.496 41.394 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -41.292 5.655 41.868 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -39.074 5.716 40.451 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -42.680 3.775 39.199 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -38.299 5.785 38.105 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -41.871 3.776 36.866 1.00 0.00 H new ATOM 0 HH TYR B 19 -40.276 4.390 35.465 1.00 0.00 H new ATOM 539 N PHE B 20 -40.012 4.872 44.426 1.00 0.00 N ATOM 540 CA PHE B 20 -40.014 5.532 45.769 1.00 0.00 C ATOM 541 C PHE B 20 -39.193 6.861 45.662 1.00 0.00 C ATOM 542 O PHE B 20 -38.010 6.830 45.317 1.00 0.00 O ATOM 543 CB PHE B 20 -39.408 4.571 46.843 1.00 0.00 C ATOM 544 CG PHE B 20 -39.359 5.090 48.297 1.00 0.00 C ATOM 545 CD1 PHE B 20 -38.352 5.949 48.715 1.00 0.00 C ATOM 546 CD2 PHE B 20 -40.343 4.725 49.196 1.00 0.00 C ATOM 547 CE1 PHE B 20 -38.363 6.484 49.999 1.00 0.00 C ATOM 548 CE2 PHE B 20 -40.363 5.248 50.485 1.00 0.00 C ATOM 549 CZ PHE B 20 -39.366 6.147 50.943 1.00 0.00 C ATOM 0 H PHE B 20 -39.173 5.084 43.886 1.00 0.00 H new ATOM 0 HA PHE B 20 -41.033 5.763 46.080 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -39.983 3.645 46.833 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -38.392 4.319 46.538 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -37.552 6.205 48.036 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -41.107 4.024 48.894 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -37.585 7.176 50.285 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -41.160 4.962 51.156 1.00 0.00 H new ATOM 0 HZ PHE B 20 -39.371 6.549 51.946 1.00 0.00 H new ATOM 559 N ASN B 21 -39.762 8.027 45.997 1.00 0.00 N ATOM 560 CA ASN B 21 -38.982 9.299 46.068 1.00 0.00 C ATOM 561 C ASN B 21 -38.297 9.450 47.471 1.00 0.00 C ATOM 562 O ASN B 21 -38.983 9.381 48.489 1.00 0.00 O ATOM 563 CB ASN B 21 -39.935 10.485 45.743 1.00 0.00 C ATOM 564 CG ASN B 21 -39.317 11.729 45.086 1.00 0.00 C ATOM 565 OD1 ASN B 21 -39.868 12.307 44.161 1.00 0.00 O ATOM 566 ND2 ASN B 21 -38.177 12.212 45.513 1.00 0.00 N ATOM 0 H ASN B 21 -40.751 8.130 46.224 1.00 0.00 H new ATOM 0 HA ASN B 21 -38.177 9.291 45.333 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -40.723 10.114 45.087 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -40.413 10.797 46.671 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -37.779 13.043 45.075 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -37.687 11.757 46.283 1.00 0.00 H new ATOM 573 N HIS B 22 -36.973 9.665 47.545 1.00 0.00 N ATOM 574 CA HIS B 22 -36.239 9.833 48.843 1.00 0.00 C ATOM 575 C HIS B 22 -36.160 11.288 49.411 1.00 0.00 C ATOM 576 O HIS B 22 -36.405 11.493 50.599 1.00 0.00 O ATOM 577 CB HIS B 22 -34.824 9.180 48.715 1.00 0.00 C ATOM 578 CG HIS B 22 -34.672 7.923 49.555 1.00 0.00 C ATOM 579 ND1 HIS B 22 -34.599 7.935 50.931 1.00 0.00 N ATOM 580 CD2 HIS B 22 -34.764 6.607 49.089 1.00 0.00 C ATOM 581 CE1 HIS B 22 -34.683 6.598 51.193 1.00 0.00 C ATOM 582 NE2 HIS B 22 -34.784 5.707 50.151 1.00 0.00 N ATOM 0 H HIS B 22 -36.372 9.729 46.724 1.00 0.00 H new ATOM 0 HA HIS B 22 -36.839 9.318 49.593 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -34.636 8.937 47.669 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -34.067 9.905 49.015 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -34.508 8.722 51.573 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -34.813 6.327 48.047 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -34.670 6.242 52.213 1.00 0.00 H new ATOM 590 N ILE B 23 -35.818 12.288 48.583 1.00 0.00 N ATOM 591 CA ILE B 23 -35.858 13.743 48.972 1.00 0.00 C ATOM 592 C ILE B 23 -37.260 14.298 49.430 1.00 0.00 C ATOM 593 O ILE B 23 -37.341 15.040 50.409 1.00 0.00 O ATOM 594 CB ILE B 23 -35.161 14.629 47.872 1.00 0.00 C ATOM 595 CG1 ILE B 23 -35.781 14.475 46.448 1.00 0.00 C ATOM 596 CG2 ILE B 23 -33.623 14.418 47.873 1.00 0.00 C ATOM 597 CD1 ILE B 23 -35.206 15.350 45.328 1.00 0.00 C ATOM 0 H ILE B 23 -35.505 12.132 47.625 1.00 0.00 H new ATOM 0 HA ILE B 23 -35.277 13.813 49.892 1.00 0.00 H new ATOM 0 HB ILE B 23 -35.357 15.665 48.149 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -35.678 13.432 46.147 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -36.849 14.681 46.522 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -33.170 15.043 47.103 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -33.219 14.692 48.847 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -33.399 13.371 47.669 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -35.730 15.139 44.396 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -35.334 16.401 45.586 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -34.145 15.133 45.205 1.00 0.00 H new ATOM 609 N THR B 24 -38.356 13.900 48.765 1.00 0.00 N ATOM 610 CA THR B 24 -39.741 13.986 49.328 1.00 0.00 C ATOM 611 C THR B 24 -40.060 12.959 50.483 1.00 0.00 C ATOM 612 O THR B 24 -40.701 13.330 51.466 1.00 0.00 O ATOM 613 CB THR B 24 -40.721 13.857 48.115 1.00 0.00 C ATOM 614 OG1 THR B 24 -40.572 14.954 47.221 1.00 0.00 O ATOM 615 CG2 THR B 24 -42.212 13.811 48.463 1.00 0.00 C ATOM 0 H THR B 24 -38.323 13.509 47.824 1.00 0.00 H new ATOM 0 HA THR B 24 -39.858 14.943 49.836 1.00 0.00 H new ATOM 0 HB THR B 24 -40.439 12.898 47.679 1.00 0.00 H new ATOM 0 HG1 THR B 24 -41.193 14.851 46.470 1.00 0.00 H new ATOM 0 HG21 THR B 24 -42.797 13.721 47.548 1.00 0.00 H new ATOM 0 HG22 THR B 24 -42.409 12.953 49.106 1.00 0.00 H new ATOM 0 HG23 THR B 24 -42.492 14.726 48.984 1.00 0.00 H new ATOM 623 N ASN B 25 -39.685 11.676 50.315 1.00 0.00 N ATOM 624 CA ASN B 25 -40.081 10.526 51.187 1.00 0.00 C ATOM 625 C ASN B 25 -41.533 10.010 50.874 1.00 0.00 C ATOM 626 O ASN B 25 -42.450 10.144 51.691 1.00 0.00 O ATOM 627 CB ASN B 25 -39.710 10.736 52.685 1.00 0.00 C ATOM 628 CG ASN B 25 -39.664 9.456 53.517 1.00 0.00 C ATOM 629 OD1 ASN B 25 -38.667 8.747 53.571 1.00 0.00 O ATOM 630 ND2 ASN B 25 -40.738 9.097 54.168 1.00 0.00 N ATOM 0 H ASN B 25 -39.078 11.390 49.547 1.00 0.00 H new ATOM 0 HA ASN B 25 -39.457 9.673 50.920 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -38.737 11.223 52.739 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -40.433 11.418 53.132 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -40.740 8.235 54.713 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -41.575 9.679 54.131 1.00 0.00 H new ATOM 637 N ALA B 26 -41.730 9.412 49.682 1.00 0.00 N ATOM 638 CA ALA B 26 -43.053 8.914 49.226 1.00 0.00 C ATOM 639 C ALA B 26 -42.922 7.575 48.431 1.00 0.00 C ATOM 640 O ALA B 26 -42.239 7.507 47.404 1.00 0.00 O ATOM 641 CB ALA B 26 -43.697 10.026 48.372 1.00 0.00 C ATOM 0 H ALA B 26 -40.981 9.259 49.006 1.00 0.00 H new ATOM 0 HA ALA B 26 -43.686 8.688 50.084 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -44.673 9.694 48.019 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -43.816 10.926 48.976 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -43.057 10.245 47.517 1.00 0.00 H new ATOM 647 N SER B 27 -43.606 6.515 48.886 1.00 0.00 N ATOM 648 CA SER B 27 -43.748 5.248 48.116 1.00 0.00 C ATOM 649 C SER B 27 -44.856 5.297 47.026 1.00 0.00 C ATOM 650 O SER B 27 -45.970 5.771 47.278 1.00 0.00 O ATOM 651 CB SER B 27 -44.013 4.106 49.119 1.00 0.00 C ATOM 652 OG SER B 27 -45.197 4.303 49.896 1.00 0.00 O ATOM 0 H SER B 27 -44.077 6.501 49.791 1.00 0.00 H new ATOM 0 HA SER B 27 -42.821 5.081 47.568 1.00 0.00 H new ATOM 0 HB2 SER B 27 -44.095 3.165 48.575 1.00 0.00 H new ATOM 0 HB3 SER B 27 -43.158 4.013 49.789 1.00 0.00 H new ATOM 0 HG SER B 27 -45.977 3.999 49.387 1.00 0.00 H new ATOM 658 N GLN B 28 -44.552 4.814 45.805 1.00 0.00 N ATOM 659 CA GLN B 28 -45.541 4.834 44.695 1.00 0.00 C ATOM 660 C GLN B 28 -45.365 3.741 43.596 1.00 0.00 C ATOM 661 O GLN B 28 -44.341 3.072 43.451 1.00 0.00 O ATOM 662 CB GLN B 28 -45.721 6.280 44.138 1.00 0.00 C ATOM 663 CG GLN B 28 -44.600 6.789 43.205 1.00 0.00 C ATOM 664 CD GLN B 28 -44.832 8.225 42.749 1.00 0.00 C ATOM 665 OE1 GLN B 28 -44.390 9.192 43.357 1.00 0.00 O ATOM 666 NE2 GLN B 28 -45.591 8.398 41.700 1.00 0.00 N ATOM 0 H GLN B 28 -43.648 4.411 45.559 1.00 0.00 H new ATOM 0 HA GLN B 28 -46.486 4.530 45.144 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -46.666 6.325 43.596 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -45.804 6.966 44.981 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -43.643 6.725 43.723 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -44.534 6.139 42.332 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -45.957 7.590 41.196 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -45.818 9.341 41.384 1.00 0.00 H new ATOM 675 N TRP B 29 -46.414 3.634 42.774 1.00 0.00 N ATOM 676 CA TRP B 29 -46.381 2.815 41.524 1.00 0.00 C ATOM 677 C TRP B 29 -46.480 3.638 40.188 1.00 0.00 C ATOM 678 O TRP B 29 -47.047 3.165 39.201 1.00 0.00 O ATOM 679 CB TRP B 29 -47.367 1.622 41.704 1.00 0.00 C ATOM 680 CG TRP B 29 -48.886 1.784 41.631 1.00 0.00 C ATOM 681 CD1 TRP B 29 -49.641 2.967 41.518 1.00 0.00 C ATOM 682 CD2 TRP B 29 -49.809 0.768 41.832 1.00 0.00 C ATOM 683 NE1 TRP B 29 -51.013 2.712 41.632 1.00 0.00 N ATOM 684 CE2 TRP B 29 -51.099 1.345 41.824 1.00 0.00 C ATOM 685 CE3 TRP B 29 -49.640 -0.609 42.144 1.00 0.00 C ATOM 686 CZ2 TRP B 29 -52.235 0.552 42.109 1.00 0.00 C ATOM 687 CZ3 TRP B 29 -50.775 -1.373 42.420 1.00 0.00 C ATOM 688 CH2 TRP B 29 -52.054 -0.803 42.395 1.00 0.00 C ATOM 0 H TRP B 29 -47.306 4.100 42.939 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.387 2.392 41.383 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.098 0.881 40.952 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.148 1.183 42.677 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -49.216 3.947 41.363 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -51.778 3.384 41.584 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -48.656 -1.053 42.167 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -53.224 0.986 42.106 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -50.665 -2.421 42.657 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -52.915 -1.422 42.600 1.00 0.00 H new ATOM 699 N GLU B 30 -45.858 4.834 40.133 1.00 0.00 N ATOM 700 CA GLU B 30 -45.628 5.601 38.889 1.00 0.00 C ATOM 701 C GLU B 30 -44.299 6.435 38.967 1.00 0.00 C ATOM 702 O GLU B 30 -43.725 6.775 40.004 1.00 0.00 O ATOM 703 CB GLU B 30 -46.908 6.437 38.578 1.00 0.00 C ATOM 704 CG GLU B 30 -46.929 7.344 37.310 1.00 0.00 C ATOM 705 CD GLU B 30 -46.597 6.791 35.922 1.00 0.00 C ATOM 706 OE1 GLU B 30 -45.745 5.890 35.800 1.00 0.00 O ATOM 707 OE2 GLU B 30 -47.080 7.347 34.915 1.00 0.00 O ATOM 0 H GLU B 30 -45.496 5.302 40.964 1.00 0.00 H new ATOM 0 HA GLU B 30 -45.469 4.931 38.044 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -47.744 5.742 38.499 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.103 7.073 39.441 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -47.927 7.777 37.247 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -46.237 8.165 37.497 1.00 0.00 H new ATOM 714 N ARG B 31 -43.827 6.729 37.771 1.00 0.00 N ATOM 715 CA ARG B 31 -42.663 7.590 37.454 1.00 0.00 C ATOM 716 C ARG B 31 -42.851 9.131 37.750 1.00 0.00 C ATOM 717 O ARG B 31 -43.964 9.639 37.577 1.00 0.00 O ATOM 718 CB ARG B 31 -42.600 7.282 35.928 1.00 0.00 C ATOM 719 CG ARG B 31 -41.527 7.886 34.997 1.00 0.00 C ATOM 720 CD ARG B 31 -41.816 7.601 33.490 1.00 0.00 C ATOM 721 NE ARG B 31 -43.088 8.231 32.985 1.00 0.00 N ATOM 722 CZ ARG B 31 -44.309 7.703 33.091 1.00 0.00 C ATOM 723 NH1 ARG B 31 -44.538 6.443 33.303 1.00 0.00 N ATOM 724 NH2 ARG B 31 -45.330 8.491 33.057 1.00 0.00 N ATOM 0 H ARG B 31 -44.263 6.357 36.927 1.00 0.00 H new ATOM 0 HA ARG B 31 -41.773 7.388 38.050 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -42.520 6.199 35.833 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -43.567 7.567 35.514 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -41.476 8.963 35.157 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -40.551 7.478 35.260 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -40.979 7.966 32.894 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -41.870 6.523 33.338 1.00 0.00 H new ATOM 0 HE ARG B 31 -43.009 9.137 32.523 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -43.759 5.792 33.399 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -45.497 6.104 33.374 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -45.195 9.496 32.951 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -46.272 8.109 33.136 1.00 0.00 H new ATOM 738 N PRO B 32 -41.795 9.943 38.076 1.00 0.00 N ATOM 739 CA PRO B 32 -41.905 11.443 38.107 1.00 0.00 C ATOM 740 C PRO B 32 -42.368 12.153 36.786 1.00 0.00 C ATOM 741 O PRO B 32 -43.081 13.156 36.831 1.00 0.00 O ATOM 742 CB PRO B 32 -40.492 11.904 38.537 1.00 0.00 C ATOM 743 CG PRO B 32 -39.586 10.696 38.323 1.00 0.00 C ATOM 744 CD PRO B 32 -40.439 9.435 38.327 1.00 0.00 C ATOM 0 HA PRO B 32 -42.708 11.730 38.786 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -40.159 12.755 37.942 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -40.483 12.221 39.580 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -39.052 10.788 37.377 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -38.833 10.645 39.110 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -40.123 8.733 37.555 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -40.376 8.910 39.280 1.00 0.00 H new ATOM 752 N SER B 33 -41.946 11.622 35.622 1.00 0.00 N ATOM 753 CA SER B 33 -42.515 11.955 34.279 1.00 0.00 C ATOM 754 C SER B 33 -42.198 13.348 33.631 1.00 0.00 C ATOM 755 O SER B 33 -41.966 13.407 32.422 1.00 0.00 O ATOM 756 CB SER B 33 -44.009 11.540 34.197 1.00 0.00 C ATOM 757 OG SER B 33 -44.394 11.264 32.848 1.00 0.00 O ATOM 0 H SER B 33 -41.190 10.939 35.576 1.00 0.00 H new ATOM 0 HA SER B 33 -41.923 11.335 33.606 1.00 0.00 H new ATOM 0 HB2 SER B 33 -44.179 10.658 34.814 1.00 0.00 H new ATOM 0 HB3 SER B 33 -44.634 12.337 34.601 1.00 0.00 H new ATOM 0 HG SER B 33 -43.738 11.655 32.234 1.00 0.00 H new