USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 962 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: B 94 SER OG : rot -66:sc= 1.48 USER MOD Set 1.2: B 100 HIS : no HE2:sc= 0.297 K(o=1.8,f=-1.4) USER MOD Set 2.1: B 62 SER OG : rot 2:sc= 1.97 USER MOD Set 2.2: B 64 LYS NZ :NH3+ 151:sc= -0.944! (180deg=-3.65!) USER MOD Set 3.1: B 24 ASN : amide:sc= 0.929 X(o=-1.7,f=-1.2) USER MOD Set 3.2: B 30 GLN : amide:sc= -2.59! C(o=-1.7!,f=-1.2!) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HE2:sc= 0.873 K(o=0.87,f=-5.8!) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0264) USER MOD Single : B 39 HIS :FLIP no HE2:sc= 0.548 F(o=-1.8!,f=0.55) USER MOD Single : B 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 42 THR OG1 : rot -171:sc= 0.921 USER MOD Single : B 46 THR OG1 : rot 180:sc= 0.11 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -4.28! C(o=-4.3!,f=-4!) USER MOD Single : B 52 HIS :FLIP no HD1:sc= -0.595 F(o=-1.5,f=-0.59) USER MOD Single : B 53 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : B 56 GLN :FLIP amide:sc= -0.125 F(o=-1.5,f=-0.13) USER MOD Single : B 57 MET CE :methyl -153:sc= -0.0893 (180deg=-0.541) USER MOD Single : B 77 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 GLN :FLIP amide:sc= -0.25 F(o=-2,f=-0.25) USER MOD Single : B 85 GLN : amide:sc= -0.91 K(o=-0.91,f=-1.6) USER MOD Single : B 102 MET CE :methyl 148:sc= -0.714 (180deg=-2.2!) USER MOD Single : B 103 LYS NZ :NH3+ -170:sc= -0.012 (180deg=-0.154) USER MOD Single : B 104 ASN : amide:sc= 1.17 K(o=1.2,f=-0.073) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -122:sc= 1.18 (180deg=-0.0875) USER MOD Single : B 110 SER OG : rot 180:sc= 0.0407 USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N TRP B 9 -21.419 9.152 5.778 1.00 0.00 N ATOM 127 CA TRP B 9 -21.283 7.913 6.527 1.00 0.00 C ATOM 128 C TRP B 9 -21.383 8.160 8.024 1.00 0.00 C ATOM 129 O TRP B 9 -20.952 9.198 8.532 1.00 0.00 O ATOM 130 CB TRP B 9 -19.954 7.225 6.204 1.00 0.00 C ATOM 131 CG TRP B 9 -19.926 6.571 4.858 1.00 0.00 C ATOM 132 CD1 TRP B 9 -19.577 7.147 3.677 1.00 0.00 C ATOM 133 CD2 TRP B 9 -20.264 5.211 4.558 1.00 0.00 C ATOM 134 NE1 TRP B 9 -19.672 6.230 2.659 1.00 0.00 N ATOM 135 CE2 TRP B 9 -20.094 5.036 3.174 1.00 0.00 C ATOM 136 CE3 TRP B 9 -20.693 4.127 5.323 1.00 0.00 C ATOM 137 CZ2 TRP B 9 -20.338 3.823 2.539 1.00 0.00 C ATOM 138 CZ3 TRP B 9 -20.936 2.921 4.691 1.00 0.00 C ATOM 139 CH2 TRP B 9 -20.757 2.779 3.311 1.00 0.00 C ATOM 0 HA TRP B 9 -22.103 7.260 6.228 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -19.152 7.961 6.257 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -19.749 6.474 6.967 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -19.270 8.175 3.557 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -19.462 6.411 1.677 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -20.833 4.227 6.389 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.201 3.711 1.474 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -21.270 2.075 5.273 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -20.954 1.824 2.847 1.00 0.00 H new ATOM 150 N SER B 10 -21.975 7.205 8.713 1.00 0.00 N ATOM 151 CA SER B 10 -22.072 7.239 10.155 1.00 0.00 C ATOM 152 C SER B 10 -21.446 5.973 10.719 1.00 0.00 C ATOM 153 O SER B 10 -21.384 4.960 10.021 1.00 0.00 O ATOM 154 CB SER B 10 -23.542 7.350 10.569 1.00 0.00 C ATOM 155 OG SER B 10 -24.327 6.369 9.911 1.00 0.00 O ATOM 0 H SER B 10 -22.402 6.383 8.286 1.00 0.00 H new ATOM 0 HA SER B 10 -21.540 8.105 10.549 1.00 0.00 H new ATOM 0 HB2 SER B 10 -23.630 7.229 11.649 1.00 0.00 H new ATOM 0 HB3 SER B 10 -23.918 8.344 10.328 1.00 0.00 H new ATOM 0 HG SER B 10 -25.262 6.457 10.191 1.00 0.00 H new ATOM 161 N PRO B 11 -20.961 6.006 11.974 1.00 0.00 N ATOM 162 CA PRO B 11 -20.355 4.838 12.627 1.00 0.00 C ATOM 163 C PRO B 11 -21.184 3.563 12.462 1.00 0.00 C ATOM 164 O PRO B 11 -20.631 2.472 12.337 1.00 0.00 O ATOM 165 CB PRO B 11 -20.290 5.259 14.093 1.00 0.00 C ATOM 166 CG PRO B 11 -20.127 6.737 14.038 1.00 0.00 C ATOM 167 CD PRO B 11 -20.935 7.194 12.852 1.00 0.00 C ATOM 0 HA PRO B 11 -19.387 4.586 12.194 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -21.196 4.977 14.629 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -19.454 4.784 14.608 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -20.482 7.204 14.957 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -19.078 7.011 13.926 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -21.940 7.499 13.144 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -20.474 8.049 12.357 1.00 0.00 H new ATOM 175 N GLU B 12 -22.509 3.700 12.453 1.00 0.00 N ATOM 176 CA GLU B 12 -23.389 2.558 12.212 1.00 0.00 C ATOM 177 C GLU B 12 -23.172 1.994 10.814 1.00 0.00 C ATOM 178 O GLU B 12 -22.884 0.809 10.645 1.00 0.00 O ATOM 179 CB GLU B 12 -24.859 2.953 12.356 1.00 0.00 C ATOM 180 CG GLU B 12 -25.814 1.843 11.932 1.00 0.00 C ATOM 181 CD GLU B 12 -27.235 2.320 11.717 1.00 0.00 C ATOM 182 OE1 GLU B 12 -27.501 2.964 10.678 1.00 0.00 O ATOM 183 OE2 GLU B 12 -28.096 2.032 12.574 1.00 0.00 O ATOM 0 H GLU B 12 -22.994 4.584 12.609 1.00 0.00 H new ATOM 0 HA GLU B 12 -23.144 1.801 12.957 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -25.058 3.221 13.394 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -25.052 3.841 11.755 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -25.447 1.391 11.010 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -25.812 1.062 12.693 1.00 0.00 H new ATOM 190 N GLU B 13 -23.300 2.857 9.816 1.00 0.00 N ATOM 191 CA GLU B 13 -23.241 2.431 8.428 1.00 0.00 C ATOM 192 C GLU B 13 -21.828 1.976 8.064 1.00 0.00 C ATOM 193 O GLU B 13 -21.651 1.087 7.236 1.00 0.00 O ATOM 194 CB GLU B 13 -23.701 3.567 7.508 1.00 0.00 C ATOM 195 CG GLU B 13 -24.300 3.082 6.197 1.00 0.00 C ATOM 196 CD GLU B 13 -25.508 2.188 6.412 1.00 0.00 C ATOM 197 OE1 GLU B 13 -26.631 2.717 6.572 1.00 0.00 O ATOM 198 OE2 GLU B 13 -25.344 0.952 6.414 1.00 0.00 O ATOM 0 H GLU B 13 -23.446 3.858 9.944 1.00 0.00 H new ATOM 0 HA GLU B 13 -23.913 1.583 8.294 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -24.439 4.173 8.033 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.852 4.215 7.292 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -24.590 3.941 5.592 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -23.543 2.537 5.634 1.00 0.00 H new ATOM 205 N GLU B 14 -20.825 2.574 8.699 1.00 0.00 N ATOM 206 CA GLU B 14 -19.439 2.182 8.466 1.00 0.00 C ATOM 207 C GLU B 14 -19.156 0.812 9.086 1.00 0.00 C ATOM 208 O GLU B 14 -18.384 0.019 8.542 1.00 0.00 O ATOM 209 CB GLU B 14 -18.479 3.239 9.019 1.00 0.00 C ATOM 210 CG GLU B 14 -18.663 4.608 8.381 1.00 0.00 C ATOM 211 CD GLU B 14 -17.610 5.611 8.808 1.00 0.00 C ATOM 212 OE1 GLU B 14 -17.785 6.265 9.858 1.00 0.00 O ATOM 213 OE2 GLU B 14 -16.605 5.762 8.084 1.00 0.00 O ATOM 0 H GLU B 14 -20.945 3.328 9.375 1.00 0.00 H new ATOM 0 HA GLU B 14 -19.279 2.108 7.390 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -18.624 3.325 10.096 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -17.453 2.907 8.861 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -18.637 4.503 7.296 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -19.649 4.993 8.640 1.00 0.00 H new ATOM 220 N ALA B 15 -19.796 0.529 10.214 1.00 0.00 N ATOM 221 CA ALA B 15 -19.706 -0.792 10.828 1.00 0.00 C ATOM 222 C ALA B 15 -20.434 -1.816 9.966 1.00 0.00 C ATOM 223 O ALA B 15 -20.059 -2.979 9.901 1.00 0.00 O ATOM 224 CB ALA B 15 -20.288 -0.768 12.229 1.00 0.00 C ATOM 0 H ALA B 15 -20.381 1.193 10.721 1.00 0.00 H new ATOM 0 HA ALA B 15 -18.656 -1.075 10.900 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -20.212 -1.761 12.671 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -19.735 -0.055 12.841 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -21.335 -0.470 12.183 1.00 0.00 H new ATOM 230 N HIS B 16 -21.480 -1.352 9.308 1.00 0.00 N ATOM 231 CA HIS B 16 -22.238 -2.144 8.358 1.00 0.00 C ATOM 232 C HIS B 16 -21.430 -2.341 7.075 1.00 0.00 C ATOM 233 O HIS B 16 -21.617 -3.317 6.349 1.00 0.00 O ATOM 234 CB HIS B 16 -23.570 -1.444 8.058 1.00 0.00 C ATOM 235 CG HIS B 16 -24.506 -2.224 7.185 1.00 0.00 C ATOM 236 ND1 HIS B 16 -25.459 -1.624 6.395 1.00 0.00 N ATOM 237 CD2 HIS B 16 -24.651 -3.556 6.999 1.00 0.00 C ATOM 238 CE1 HIS B 16 -26.152 -2.551 5.761 1.00 0.00 C ATOM 239 NE2 HIS B 16 -25.680 -3.731 6.111 1.00 0.00 N ATOM 0 H HIS B 16 -21.832 -0.401 9.420 1.00 0.00 H new ATOM 0 HA HIS B 16 -22.444 -3.126 8.785 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -24.071 -1.227 9.001 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -23.362 -0.487 7.580 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -25.607 -0.618 6.312 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -24.065 -4.336 7.463 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -26.966 -2.373 5.074 1.00 0.00 H new ATOM 248 N LEU B 17 -20.524 -1.411 6.810 1.00 0.00 N ATOM 249 CA LEU B 17 -19.650 -1.508 5.655 1.00 0.00 C ATOM 250 C LEU B 17 -18.672 -2.657 5.848 1.00 0.00 C ATOM 251 O LEU B 17 -18.521 -3.512 4.974 1.00 0.00 O ATOM 252 CB LEU B 17 -18.905 -0.190 5.442 1.00 0.00 C ATOM 253 CG LEU B 17 -18.059 -0.113 4.171 1.00 0.00 C ATOM 254 CD1 LEU B 17 -18.899 -0.446 2.954 1.00 0.00 C ATOM 255 CD2 LEU B 17 -17.457 1.268 4.026 1.00 0.00 C ATOM 0 H LEU B 17 -20.376 -0.580 7.382 1.00 0.00 H new ATOM 0 HA LEU B 17 -20.249 -1.705 4.766 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -19.634 0.621 5.423 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.257 -0.016 6.301 1.00 0.00 H new ATOM 0 HG LEU B 17 -17.253 -0.843 4.247 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.281 -0.386 2.058 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -19.299 -1.455 3.053 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -19.722 0.264 2.875 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -16.857 1.310 3.117 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -18.255 2.008 3.968 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -16.825 1.482 4.888 1.00 0.00 H new ATOM 267 N ARG B 18 -18.021 -2.690 7.006 1.00 0.00 N ATOM 268 CA ARG B 18 -17.171 -3.812 7.346 1.00 0.00 C ATOM 269 C ARG B 18 -18.026 -5.048 7.568 1.00 0.00 C ATOM 270 O ARG B 18 -17.606 -6.154 7.250 1.00 0.00 O ATOM 271 CB ARG B 18 -16.303 -3.512 8.573 1.00 0.00 C ATOM 272 CG ARG B 18 -17.073 -3.071 9.805 1.00 0.00 C ATOM 273 CD ARG B 18 -16.136 -2.629 10.922 1.00 0.00 C ATOM 274 NE ARG B 18 -15.328 -3.734 11.441 1.00 0.00 N ATOM 275 CZ ARG B 18 -14.025 -3.645 11.721 1.00 0.00 C ATOM 276 NH1 ARG B 18 -13.360 -2.525 11.473 1.00 0.00 N ATOM 277 NH2 ARG B 18 -13.386 -4.685 12.246 1.00 0.00 N ATOM 0 H ARG B 18 -18.068 -1.958 7.715 1.00 0.00 H new ATOM 0 HA ARG B 18 -16.490 -3.995 6.515 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -15.728 -4.404 8.821 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -15.586 -2.734 8.312 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -17.741 -2.250 9.543 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.699 -3.891 10.157 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -15.477 -1.844 10.551 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -16.721 -2.197 11.734 1.00 0.00 H new ATOM 0 HE ARG B 18 -15.790 -4.630 11.599 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -13.843 -1.724 11.066 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -12.365 -2.464 11.689 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -13.890 -5.551 12.435 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -12.391 -4.617 12.460 1.00 0.00 H new ATOM 291 N GLU B 19 -19.240 -4.839 8.081 1.00 0.00 N ATOM 292 CA GLU B 19 -20.209 -5.916 8.262 1.00 0.00 C ATOM 293 C GLU B 19 -20.349 -6.725 6.971 1.00 0.00 C ATOM 294 O GLU B 19 -20.295 -7.955 6.975 1.00 0.00 O ATOM 295 CB GLU B 19 -21.569 -5.345 8.670 1.00 0.00 C ATOM 296 CG GLU B 19 -22.676 -6.379 8.825 1.00 0.00 C ATOM 297 CD GLU B 19 -22.393 -7.409 9.901 1.00 0.00 C ATOM 298 OE1 GLU B 19 -22.180 -8.591 9.559 1.00 0.00 O ATOM 299 OE2 GLU B 19 -22.391 -7.043 11.096 1.00 0.00 O ATOM 0 H GLU B 19 -19.576 -3.923 8.380 1.00 0.00 H new ATOM 0 HA GLU B 19 -19.851 -6.574 9.054 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -21.455 -4.812 9.614 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -21.878 -4.612 7.925 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -23.610 -5.868 9.059 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -22.822 -6.890 7.873 1.00 0.00 H new ATOM 306 N LEU B 20 -20.500 -6.003 5.864 1.00 0.00 N ATOM 307 CA LEU B 20 -20.644 -6.607 4.546 1.00 0.00 C ATOM 308 C LEU B 20 -19.373 -7.355 4.131 1.00 0.00 C ATOM 309 O LEU B 20 -19.437 -8.474 3.614 1.00 0.00 O ATOM 310 CB LEU B 20 -20.958 -5.515 3.518 1.00 0.00 C ATOM 311 CG LEU B 20 -22.250 -5.693 2.716 1.00 0.00 C ATOM 312 CD1 LEU B 20 -22.290 -7.056 2.043 1.00 0.00 C ATOM 313 CD2 LEU B 20 -23.469 -5.487 3.600 1.00 0.00 C ATOM 0 H LEU B 20 -20.526 -4.983 5.857 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.460 -7.328 4.588 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -21.007 -4.558 4.038 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -20.125 -5.455 2.817 1.00 0.00 H new ATOM 0 HG LEU B 20 -22.268 -4.933 1.935 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -23.218 -7.157 1.480 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -21.442 -7.152 1.365 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -22.239 -7.838 2.801 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -24.374 -5.619 3.008 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -23.457 -6.215 4.411 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -23.451 -4.480 4.016 1.00 0.00 H new ATOM 325 N TYR B 21 -18.223 -6.739 4.382 1.00 0.00 N ATOM 326 CA TYR B 21 -16.943 -7.278 3.935 1.00 0.00 C ATOM 327 C TYR B 21 -16.584 -8.529 4.716 1.00 0.00 C ATOM 328 O TYR B 21 -16.203 -9.546 4.142 1.00 0.00 O ATOM 329 CB TYR B 21 -15.839 -6.226 4.095 1.00 0.00 C ATOM 330 CG TYR B 21 -14.449 -6.716 3.727 1.00 0.00 C ATOM 331 CD1 TYR B 21 -13.548 -7.104 4.712 1.00 0.00 C ATOM 332 CD2 TYR B 21 -14.040 -6.797 2.400 1.00 0.00 C ATOM 333 CE1 TYR B 21 -12.280 -7.552 4.387 1.00 0.00 C ATOM 334 CE2 TYR B 21 -12.775 -7.243 2.068 1.00 0.00 C ATOM 335 CZ TYR B 21 -11.900 -7.622 3.062 1.00 0.00 C ATOM 336 OH TYR B 21 -10.639 -8.067 2.730 1.00 0.00 O ATOM 0 H TYR B 21 -18.151 -5.861 4.896 1.00 0.00 H new ATOM 0 HA TYR B 21 -17.033 -7.541 2.881 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -16.083 -5.363 3.475 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -15.828 -5.882 5.129 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -13.843 -7.055 5.750 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -14.723 -6.506 1.616 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -11.591 -7.845 5.166 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -12.473 -7.294 1.032 1.00 0.00 H new ATOM 0 HH TYR B 21 -10.534 -8.056 1.756 1.00 0.00 H new ATOM 346 N LEU B 22 -16.729 -8.445 6.028 1.00 0.00 N ATOM 347 CA LEU B 22 -16.356 -9.533 6.919 1.00 0.00 C ATOM 348 C LEU B 22 -17.215 -10.770 6.666 1.00 0.00 C ATOM 349 O LEU B 22 -16.788 -11.894 6.925 1.00 0.00 O ATOM 350 CB LEU B 22 -16.487 -9.078 8.374 1.00 0.00 C ATOM 351 CG LEU B 22 -15.784 -7.756 8.705 1.00 0.00 C ATOM 352 CD1 LEU B 22 -16.004 -7.378 10.157 1.00 0.00 C ATOM 353 CD2 LEU B 22 -14.298 -7.829 8.397 1.00 0.00 C ATOM 0 H LEU B 22 -17.106 -7.626 6.504 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.319 -9.803 6.721 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -17.546 -8.979 8.614 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.085 -9.858 9.021 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.222 -6.983 8.074 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -15.496 -6.437 10.369 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.072 -7.265 10.346 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -15.603 -8.160 10.801 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -13.828 -6.876 8.642 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -13.842 -8.622 8.990 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.156 -8.041 7.337 1.00 0.00 H new ATOM 365 N ALA B 23 -18.417 -10.560 6.143 1.00 0.00 N ATOM 366 CA ALA B 23 -19.316 -11.662 5.830 1.00 0.00 C ATOM 367 C ALA B 23 -19.001 -12.273 4.463 1.00 0.00 C ATOM 368 O ALA B 23 -18.951 -13.496 4.314 1.00 0.00 O ATOM 369 CB ALA B 23 -20.761 -11.187 5.879 1.00 0.00 C ATOM 0 H ALA B 23 -18.791 -9.636 5.927 1.00 0.00 H new ATOM 0 HA ALA B 23 -19.169 -12.439 6.580 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -21.425 -12.018 5.643 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -20.987 -10.813 6.878 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -20.907 -10.389 5.151 1.00 0.00 H new ATOM 375 N ASN B 24 -18.772 -11.424 3.466 1.00 0.00 N ATOM 376 CA ASN B 24 -18.611 -11.889 2.091 1.00 0.00 C ATOM 377 C ASN B 24 -17.151 -12.142 1.731 1.00 0.00 C ATOM 378 O ASN B 24 -16.831 -12.397 0.576 1.00 0.00 O ATOM 379 CB ASN B 24 -19.233 -10.889 1.117 1.00 0.00 C ATOM 380 CG ASN B 24 -20.745 -10.860 1.222 1.00 0.00 C ATOM 381 OD1 ASN B 24 -21.446 -11.572 0.504 1.00 0.00 O ATOM 382 ND2 ASN B 24 -21.257 -10.044 2.128 1.00 0.00 N ATOM 0 H ASN B 24 -18.694 -10.414 3.583 1.00 0.00 H new ATOM 0 HA ASN B 24 -19.132 -12.843 2.010 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -18.836 -9.894 1.317 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -18.945 -11.148 0.098 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -22.268 -9.989 2.251 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -20.641 -9.470 2.704 1.00 0.00 H new ATOM 389 N LYS B 25 -16.263 -12.066 2.711 1.00 0.00 N ATOM 390 CA LYS B 25 -14.873 -12.457 2.495 1.00 0.00 C ATOM 391 C LYS B 25 -14.733 -13.963 2.688 1.00 0.00 C ATOM 392 O LYS B 25 -13.719 -14.563 2.337 1.00 0.00 O ATOM 393 CB LYS B 25 -13.924 -11.699 3.435 1.00 0.00 C ATOM 394 CG LYS B 25 -14.116 -12.013 4.910 1.00 0.00 C ATOM 395 CD LYS B 25 -13.261 -11.106 5.787 1.00 0.00 C ATOM 396 CE LYS B 25 -11.772 -11.305 5.542 1.00 0.00 C ATOM 397 NZ LYS B 25 -11.295 -12.630 6.016 1.00 0.00 N ATOM 0 H LYS B 25 -16.474 -11.741 3.655 1.00 0.00 H new ATOM 0 HA LYS B 25 -14.594 -12.196 1.474 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -12.896 -11.931 3.158 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -14.061 -10.628 3.283 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -15.166 -11.893 5.175 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -13.856 -13.055 5.099 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -13.523 -10.066 5.595 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -13.484 -11.302 6.836 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -11.565 -11.207 4.476 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -11.214 -10.518 6.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.265 -12.693 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -11.528 -12.743 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -11.758 -13.382 5.467 1.00 0.00 H new ATOM 411 N ASP B 26 -15.777 -14.557 3.255 1.00 0.00 N ATOM 412 CA ASP B 26 -15.805 -15.986 3.544 1.00 0.00 C ATOM 413 C ASP B 26 -16.168 -16.782 2.291 1.00 0.00 C ATOM 414 O ASP B 26 -15.874 -17.971 2.183 1.00 0.00 O ATOM 415 CB ASP B 26 -16.823 -16.258 4.658 1.00 0.00 C ATOM 416 CG ASP B 26 -16.853 -17.706 5.101 1.00 0.00 C ATOM 417 OD1 ASP B 26 -16.079 -18.068 6.012 1.00 0.00 O ATOM 418 OD2 ASP B 26 -17.663 -18.484 4.554 1.00 0.00 O ATOM 0 H ASP B 26 -16.627 -14.062 3.527 1.00 0.00 H new ATOM 0 HA ASP B 26 -14.815 -16.302 3.871 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -16.590 -15.627 5.516 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -17.816 -15.970 4.312 1.00 0.00 H new ATOM 423 N VAL B 27 -16.786 -16.101 1.337 1.00 0.00 N ATOM 424 CA VAL B 27 -17.263 -16.740 0.121 1.00 0.00 C ATOM 425 C VAL B 27 -16.172 -16.726 -0.947 1.00 0.00 C ATOM 426 O VAL B 27 -15.446 -15.741 -1.100 1.00 0.00 O ATOM 427 CB VAL B 27 -18.542 -16.050 -0.416 1.00 0.00 C ATOM 428 CG1 VAL B 27 -18.243 -14.636 -0.856 1.00 0.00 C ATOM 429 CG2 VAL B 27 -19.164 -16.848 -1.552 1.00 0.00 C ATOM 0 H VAL B 27 -16.969 -15.099 1.383 1.00 0.00 H new ATOM 0 HA VAL B 27 -17.514 -17.773 0.363 1.00 0.00 H new ATOM 0 HB VAL B 27 -19.266 -16.010 0.398 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -19.155 -14.171 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -17.864 -14.064 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -17.494 -14.652 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -20.059 -16.338 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -18.448 -16.936 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -19.431 -17.843 -1.195 1.00 0.00 H new ATOM 439 N GLU B 28 -16.039 -17.830 -1.660 1.00 0.00 N ATOM 440 CA GLU B 28 -15.047 -17.932 -2.713 1.00 0.00 C ATOM 441 C GLU B 28 -15.715 -18.073 -4.071 1.00 0.00 C ATOM 442 O GLU B 28 -16.731 -18.756 -4.206 1.00 0.00 O ATOM 443 CB GLU B 28 -14.114 -19.110 -2.456 1.00 0.00 C ATOM 444 CG GLU B 28 -13.293 -18.960 -1.189 1.00 0.00 C ATOM 445 CD GLU B 28 -12.321 -20.104 -1.000 1.00 0.00 C ATOM 446 OE1 GLU B 28 -11.285 -20.128 -1.700 1.00 0.00 O ATOM 447 OE2 GLU B 28 -12.586 -20.982 -0.153 1.00 0.00 O ATOM 0 H GLU B 28 -16.606 -18.668 -1.528 1.00 0.00 H new ATOM 0 HA GLU B 28 -14.457 -17.015 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -14.704 -20.024 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -13.441 -19.223 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -12.743 -18.020 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -13.961 -18.907 -0.329 1.00 0.00 H new ATOM 454 N GLY B 29 -15.149 -17.411 -5.069 1.00 0.00 N ATOM 455 CA GLY B 29 -15.728 -17.427 -6.397 1.00 0.00 C ATOM 456 C GLY B 29 -16.688 -16.275 -6.592 1.00 0.00 C ATOM 457 O GLY B 29 -17.370 -16.181 -7.611 1.00 0.00 O ATOM 0 H GLY B 29 -14.295 -16.860 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -14.935 -17.372 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -16.251 -18.370 -6.557 1.00 0.00 H new ATOM 461 N GLN B 30 -16.732 -15.393 -5.606 1.00 0.00 N ATOM 462 CA GLN B 30 -17.631 -14.256 -5.628 1.00 0.00 C ATOM 463 C GLN B 30 -16.873 -12.953 -5.389 1.00 0.00 C ATOM 464 O GLN B 30 -15.852 -12.925 -4.702 1.00 0.00 O ATOM 465 CB GLN B 30 -18.721 -14.431 -4.567 1.00 0.00 C ATOM 466 CG GLN B 30 -19.381 -13.122 -4.166 1.00 0.00 C ATOM 467 CD GLN B 30 -20.449 -13.277 -3.110 1.00 0.00 C ATOM 468 OE1 GLN B 30 -21.201 -14.250 -3.095 1.00 0.00 O ATOM 469 NE2 GLN B 30 -20.471 -12.344 -2.176 1.00 0.00 N ATOM 0 H GLN B 30 -16.147 -15.447 -4.772 1.00 0.00 H new ATOM 0 HA GLN B 30 -18.093 -14.205 -6.614 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -19.482 -15.113 -4.946 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -18.287 -14.898 -3.683 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -18.616 -12.438 -3.798 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -19.822 -12.662 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -19.828 -11.554 -2.229 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -21.131 -12.413 -1.401 1.00 0.00 H new ATOM 478 N ASP B 31 -17.375 -11.885 -5.989 1.00 0.00 N ATOM 479 CA ASP B 31 -16.873 -10.541 -5.750 1.00 0.00 C ATOM 480 C ASP B 31 -17.217 -10.093 -4.344 1.00 0.00 C ATOM 481 O ASP B 31 -18.387 -9.887 -4.039 1.00 0.00 O ATOM 482 CB ASP B 31 -17.525 -9.561 -6.717 1.00 0.00 C ATOM 483 CG ASP B 31 -17.172 -9.827 -8.164 1.00 0.00 C ATOM 484 OD1 ASP B 31 -17.854 -10.651 -8.806 1.00 0.00 O ATOM 485 OD2 ASP B 31 -16.211 -9.211 -8.665 1.00 0.00 O ATOM 0 H ASP B 31 -18.144 -11.926 -6.657 1.00 0.00 H new ATOM 0 HA ASP B 31 -15.792 -10.557 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -18.607 -9.610 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -17.222 -8.547 -6.456 1.00 0.00 H new ATOM 490 N VAL B 32 -16.223 -9.937 -3.484 1.00 0.00 N ATOM 491 CA VAL B 32 -16.493 -9.400 -2.159 1.00 0.00 C ATOM 492 C VAL B 32 -16.861 -7.923 -2.275 1.00 0.00 C ATOM 493 O VAL B 32 -17.807 -7.461 -1.650 1.00 0.00 O ATOM 494 CB VAL B 32 -15.302 -9.567 -1.182 1.00 0.00 C ATOM 495 CG1 VAL B 32 -14.143 -8.655 -1.556 1.00 0.00 C ATOM 496 CG2 VAL B 32 -15.753 -9.305 0.247 1.00 0.00 C ATOM 0 H VAL B 32 -15.247 -10.167 -3.671 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.323 -9.971 -1.744 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.947 -10.595 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.325 -8.798 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.800 -8.896 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.472 -7.616 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -14.907 -9.426 0.923 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -16.139 -8.289 0.326 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.537 -10.013 0.517 1.00 0.00 H new ATOM 506 N VAL B 33 -16.118 -7.211 -3.119 1.00 0.00 N ATOM 507 CA VAL B 33 -16.316 -5.792 -3.341 1.00 0.00 C ATOM 508 C VAL B 33 -17.724 -5.520 -3.804 1.00 0.00 C ATOM 509 O VAL B 33 -18.482 -4.810 -3.151 1.00 0.00 O ATOM 510 CB VAL B 33 -15.367 -5.270 -4.431 1.00 0.00 C ATOM 511 CG1 VAL B 33 -15.307 -3.754 -4.416 1.00 0.00 C ATOM 512 CG2 VAL B 33 -13.989 -5.893 -4.301 1.00 0.00 C ATOM 0 H VAL B 33 -15.358 -7.611 -3.669 1.00 0.00 H new ATOM 0 HA VAL B 33 -16.118 -5.289 -2.394 1.00 0.00 H new ATOM 0 HB VAL B 33 -15.764 -5.570 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -14.629 -3.409 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -16.303 -3.349 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -14.946 -3.414 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -13.339 -5.505 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -13.569 -5.646 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -14.069 -6.976 -4.398 1.00 0.00 H new ATOM 522 N GLU B 34 -18.067 -6.120 -4.932 1.00 0.00 N ATOM 523 CA GLU B 34 -19.340 -5.875 -5.566 1.00 0.00 C ATOM 524 C GLU B 34 -20.473 -6.433 -4.718 1.00 0.00 C ATOM 525 O GLU B 34 -21.604 -5.975 -4.815 1.00 0.00 O ATOM 526 CB GLU B 34 -19.348 -6.468 -6.970 1.00 0.00 C ATOM 527 CG GLU B 34 -20.403 -5.859 -7.865 1.00 0.00 C ATOM 528 CD GLU B 34 -20.304 -6.354 -9.288 1.00 0.00 C ATOM 529 OE1 GLU B 34 -19.571 -5.734 -10.084 1.00 0.00 O ATOM 530 OE2 GLU B 34 -20.958 -7.363 -9.618 1.00 0.00 O ATOM 0 H GLU B 34 -17.472 -6.785 -5.426 1.00 0.00 H new ATOM 0 HA GLU B 34 -19.493 -4.799 -5.654 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.368 -6.324 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.514 -7.543 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -21.391 -6.093 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -20.304 -4.774 -7.853 1.00 0.00 H new ATOM 537 N ALA B 35 -20.155 -7.401 -3.865 1.00 0.00 N ATOM 538 CA ALA B 35 -21.116 -7.895 -2.892 1.00 0.00 C ATOM 539 C ALA B 35 -21.493 -6.763 -1.959 1.00 0.00 C ATOM 540 O ALA B 35 -22.667 -6.466 -1.744 1.00 0.00 O ATOM 541 CB ALA B 35 -20.529 -9.043 -2.091 1.00 0.00 C ATOM 0 H ALA B 35 -19.243 -7.856 -3.829 1.00 0.00 H new ATOM 0 HA ALA B 35 -21.999 -8.261 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -21.265 -9.397 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -20.261 -9.857 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.639 -8.701 -1.563 1.00 0.00 H new ATOM 547 N ILE B 36 -20.468 -6.120 -1.433 1.00 0.00 N ATOM 548 CA ILE B 36 -20.638 -4.997 -0.538 1.00 0.00 C ATOM 549 C ILE B 36 -21.375 -3.866 -1.231 1.00 0.00 C ATOM 550 O ILE B 36 -22.420 -3.419 -0.758 1.00 0.00 O ATOM 551 CB ILE B 36 -19.277 -4.486 -0.049 1.00 0.00 C ATOM 552 CG1 ILE B 36 -18.459 -5.637 0.517 1.00 0.00 C ATOM 553 CG2 ILE B 36 -19.467 -3.405 0.993 1.00 0.00 C ATOM 554 CD1 ILE B 36 -17.077 -5.232 0.952 1.00 0.00 C ATOM 0 H ILE B 36 -19.494 -6.363 -1.616 1.00 0.00 H new ATOM 0 HA ILE B 36 -21.224 -5.338 0.316 1.00 0.00 H new ATOM 0 HB ILE B 36 -18.736 -4.059 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -18.989 -6.065 1.368 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -18.379 -6.421 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -18.493 -3.051 1.332 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -20.024 -2.575 0.559 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -20.021 -3.810 1.840 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -16.550 -6.101 1.345 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -16.530 -4.831 0.099 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -17.149 -4.470 1.728 1.00 0.00 H new ATOM 566 N LEU B 37 -20.842 -3.438 -2.375 1.00 0.00 N ATOM 567 CA LEU B 37 -21.427 -2.322 -3.133 1.00 0.00 C ATOM 568 C LEU B 37 -22.914 -2.569 -3.417 1.00 0.00 C ATOM 569 O LEU B 37 -23.707 -1.633 -3.532 1.00 0.00 O ATOM 570 CB LEU B 37 -20.717 -2.137 -4.482 1.00 0.00 C ATOM 571 CG LEU B 37 -19.205 -2.375 -4.511 1.00 0.00 C ATOM 572 CD1 LEU B 37 -18.691 -2.350 -5.938 1.00 0.00 C ATOM 573 CD2 LEU B 37 -18.476 -1.339 -3.693 1.00 0.00 C ATOM 0 H LEU B 37 -20.008 -3.843 -2.800 1.00 0.00 H new ATOM 0 HA LEU B 37 -21.305 -1.429 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -21.180 -2.811 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -20.906 -1.121 -4.828 1.00 0.00 H new ATOM 0 HG LEU B 37 -19.016 -3.357 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -17.614 -2.521 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -19.184 -3.132 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -18.905 -1.379 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -17.404 -1.533 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -18.680 -0.347 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -18.816 -1.387 -2.659 1.00 0.00 H new ATOM 585 N ALA B 38 -23.272 -3.840 -3.537 1.00 0.00 N ATOM 586 CA ALA B 38 -24.606 -4.240 -3.970 1.00 0.00 C ATOM 587 C ALA B 38 -25.589 -4.382 -2.815 1.00 0.00 C ATOM 588 O ALA B 38 -26.743 -3.966 -2.921 1.00 0.00 O ATOM 589 CB ALA B 38 -24.520 -5.555 -4.710 1.00 0.00 C ATOM 0 H ALA B 38 -22.648 -4.622 -3.338 1.00 0.00 H new ATOM 0 HA ALA B 38 -24.981 -3.449 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -25.516 -5.856 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -23.874 -5.441 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -24.108 -6.318 -4.050 1.00 0.00 H new ATOM 595 N HIS B 39 -25.138 -4.973 -1.713 1.00 0.00 N ATOM 596 CA HIS B 39 -26.039 -5.276 -0.603 1.00 0.00 C ATOM 597 C HIS B 39 -26.390 -4.009 0.152 1.00 0.00 C ATOM 598 O HIS B 39 -27.474 -3.892 0.728 1.00 0.00 O ATOM 599 CB HIS B 39 -25.416 -6.287 0.366 1.00 0.00 C ATOM 600 CG HIS B 39 -25.460 -7.715 -0.097 1.00 0.00 C ATOM 601 ND1 HIS B 39 -24.627 -8.416 -0.903 1.00 0.00 N flip ATOM 602 CD2 HIS B 39 -26.426 -8.610 0.311 1.00 0.00 C flip ATOM 603 CE1 HIS B 39 -25.098 -9.702 -0.963 1.00 0.00 C flip ATOM 604 NE2 HIS B 39 -26.184 -9.792 -0.224 1.00 0.00 N flip ATOM 0 H HIS B 39 -24.168 -5.249 -1.564 1.00 0.00 H new ATOM 0 HA HIS B 39 -26.943 -5.714 -1.026 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -24.377 -6.009 0.540 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -25.930 -6.215 1.324 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -23.801 -8.053 -1.378 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -27.253 -8.380 0.967 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -24.651 -10.509 -1.525 1.00 0.00 H new ATOM 613 N LEU B 40 -25.473 -3.058 0.135 1.00 0.00 N ATOM 614 CA LEU B 40 -25.690 -1.785 0.789 1.00 0.00 C ATOM 615 C LEU B 40 -26.551 -0.884 -0.076 1.00 0.00 C ATOM 616 O LEU B 40 -26.042 -0.025 -0.794 1.00 0.00 O ATOM 617 CB LEU B 40 -24.366 -1.089 1.060 1.00 0.00 C ATOM 618 CG LEU B 40 -23.347 -1.897 1.845 1.00 0.00 C ATOM 619 CD1 LEU B 40 -21.960 -1.374 1.552 1.00 0.00 C ATOM 620 CD2 LEU B 40 -23.637 -1.828 3.333 1.00 0.00 C ATOM 0 H LEU B 40 -24.568 -3.146 -0.327 1.00 0.00 H new ATOM 0 HA LEU B 40 -26.198 -1.978 1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -23.922 -0.808 0.105 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -24.566 -0.165 1.603 1.00 0.00 H new ATOM 0 HG LEU B 40 -23.410 -2.941 1.540 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -21.227 -1.952 2.114 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -21.754 -1.466 0.486 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -21.897 -0.326 1.845 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -22.895 -2.414 3.876 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -23.594 -0.791 3.664 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -24.631 -2.230 3.529 1.00 0.00 H new ATOM 632 N ASN B 41 -27.854 -1.080 -0.016 1.00 0.00 N ATOM 633 CA ASN B 41 -28.773 -0.209 -0.729 1.00 0.00 C ATOM 634 C ASN B 41 -29.128 0.973 0.161 1.00 0.00 C ATOM 635 O ASN B 41 -30.249 1.475 0.150 1.00 0.00 O ATOM 636 CB ASN B 41 -30.033 -0.981 -1.138 1.00 0.00 C ATOM 637 CG ASN B 41 -29.758 -2.018 -2.216 1.00 0.00 C ATOM 638 OD1 ASN B 41 -29.826 -1.723 -3.409 1.00 0.00 O ATOM 639 ND2 ASN B 41 -29.463 -3.243 -1.808 1.00 0.00 N ATOM 0 H ASN B 41 -28.299 -1.829 0.515 1.00 0.00 H new ATOM 0 HA ASN B 41 -28.298 0.158 -1.639 1.00 0.00 H new ATOM 0 HB2 ASN B 41 -30.452 -1.475 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN B 41 -30.785 -0.278 -1.498 1.00 0.00 H new ATOM 0 HD21 ASN B 41 -29.283 -3.979 -2.491 1.00 0.00 H new ATOM 0 HD22 ASN B 41 -29.416 -3.451 -0.811 1.00 0.00 H new ATOM 646 N THR B 42 -28.136 1.414 0.920 1.00 0.00 N ATOM 647 CA THR B 42 -28.266 2.562 1.796 1.00 0.00 C ATOM 648 C THR B 42 -27.460 3.744 1.247 1.00 0.00 C ATOM 649 O THR B 42 -27.833 4.905 1.420 1.00 0.00 O ATOM 650 CB THR B 42 -27.811 2.208 3.237 1.00 0.00 C ATOM 651 OG1 THR B 42 -27.867 3.363 4.090 1.00 0.00 O ATOM 652 CG2 THR B 42 -26.400 1.627 3.240 1.00 0.00 C ATOM 0 H THR B 42 -27.213 0.980 0.943 1.00 0.00 H new ATOM 0 HA THR B 42 -29.317 2.849 1.835 1.00 0.00 H new ATOM 0 HB THR B 42 -28.497 1.454 3.622 1.00 0.00 H new ATOM 0 HG1 THR B 42 -27.446 3.155 4.950 1.00 0.00 H new ATOM 0 HG21 THR B 42 -26.107 1.388 4.262 1.00 0.00 H new ATOM 0 HG22 THR B 42 -26.379 0.720 2.635 1.00 0.00 H new ATOM 0 HG23 THR B 42 -25.705 2.357 2.825 1.00 0.00 H new ATOM 660 N VAL B 43 -26.371 3.437 0.546 1.00 0.00 N ATOM 661 CA VAL B 43 -25.446 4.460 0.074 1.00 0.00 C ATOM 662 C VAL B 43 -25.244 4.395 -1.439 1.00 0.00 C ATOM 663 O VAL B 43 -24.555 3.513 -1.945 1.00 0.00 O ATOM 664 CB VAL B 43 -24.066 4.345 0.768 1.00 0.00 C ATOM 665 CG1 VAL B 43 -24.109 4.926 2.167 1.00 0.00 C ATOM 666 CG2 VAL B 43 -23.596 2.896 0.816 1.00 0.00 C ATOM 0 H VAL B 43 -26.109 2.484 0.293 1.00 0.00 H new ATOM 0 HA VAL B 43 -25.900 5.417 0.329 1.00 0.00 H new ATOM 0 HB VAL B 43 -23.353 4.920 0.177 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -23.127 4.832 2.630 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -24.386 5.979 2.115 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -24.845 4.386 2.763 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -22.625 2.845 1.308 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -24.317 2.298 1.373 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -23.509 2.508 -0.199 1.00 0.00 H new ATOM 676 N PRO B 44 -25.857 5.319 -2.189 1.00 0.00 N ATOM 677 CA PRO B 44 -25.601 5.456 -3.620 1.00 0.00 C ATOM 678 C PRO B 44 -24.236 6.093 -3.875 1.00 0.00 C ATOM 679 O PRO B 44 -24.109 7.317 -3.933 1.00 0.00 O ATOM 680 CB PRO B 44 -26.727 6.377 -4.118 1.00 0.00 C ATOM 681 CG PRO B 44 -27.670 6.524 -2.966 1.00 0.00 C ATOM 682 CD PRO B 44 -26.861 6.277 -1.725 1.00 0.00 C ATOM 0 HA PRO B 44 -25.586 4.493 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -26.333 7.345 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -27.231 5.947 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -28.112 7.520 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -28.492 5.812 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -26.405 7.193 -1.348 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -27.470 5.869 -0.918 1.00 0.00 H new ATOM 690 N ARG B 45 -23.212 5.256 -3.979 1.00 0.00 N ATOM 691 CA ARG B 45 -21.845 5.724 -4.171 1.00 0.00 C ATOM 692 C ARG B 45 -21.181 4.913 -5.272 1.00 0.00 C ATOM 693 O ARG B 45 -21.780 3.975 -5.799 1.00 0.00 O ATOM 694 CB ARG B 45 -21.042 5.589 -2.871 1.00 0.00 C ATOM 695 CG ARG B 45 -21.796 6.073 -1.645 1.00 0.00 C ATOM 696 CD ARG B 45 -20.965 5.958 -0.377 1.00 0.00 C ATOM 697 NE ARG B 45 -19.943 7.000 -0.298 1.00 0.00 N ATOM 698 CZ ARG B 45 -20.143 8.194 0.272 1.00 0.00 C ATOM 699 NH1 ARG B 45 -21.297 8.450 0.877 1.00 0.00 N ATOM 700 NH2 ARG B 45 -19.191 9.119 0.252 1.00 0.00 N ATOM 0 H ARG B 45 -23.304 4.241 -3.933 1.00 0.00 H new ATOM 0 HA ARG B 45 -21.870 6.776 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -20.766 4.544 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -20.115 6.154 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -22.093 7.112 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -22.712 5.493 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -21.619 6.024 0.493 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -20.488 4.978 -0.343 1.00 0.00 H new ATOM 0 HE ARG B 45 -19.026 6.806 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -22.027 7.738 0.906 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -21.454 9.359 1.313 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -18.298 8.922 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -19.352 10.026 0.689 1.00 0.00 H new ATOM 714 N THR B 46 -19.955 5.263 -5.626 1.00 0.00 N ATOM 715 CA THR B 46 -19.248 4.516 -6.651 1.00 0.00 C ATOM 716 C THR B 46 -18.524 3.323 -6.026 1.00 0.00 C ATOM 717 O THR B 46 -18.504 3.168 -4.800 1.00 0.00 O ATOM 718 CB THR B 46 -18.251 5.393 -7.444 1.00 0.00 C ATOM 719 OG1 THR B 46 -17.886 4.737 -8.666 1.00 0.00 O ATOM 720 CG2 THR B 46 -16.993 5.673 -6.641 1.00 0.00 C ATOM 0 H THR B 46 -19.437 6.046 -5.227 1.00 0.00 H new ATOM 0 HA THR B 46 -19.994 4.160 -7.362 1.00 0.00 H new ATOM 0 HB THR B 46 -18.745 6.341 -7.658 1.00 0.00 H new ATOM 0 HG1 THR B 46 -17.256 5.299 -9.163 1.00 0.00 H new ATOM 0 HG21 THR B 46 -16.316 6.292 -7.230 1.00 0.00 H new ATOM 0 HG22 THR B 46 -17.257 6.197 -5.722 1.00 0.00 H new ATOM 0 HG23 THR B 46 -16.502 4.732 -6.394 1.00 0.00 H new ATOM 728 N ARG B 47 -17.915 2.504 -6.869 1.00 0.00 N ATOM 729 CA ARG B 47 -17.301 1.255 -6.429 1.00 0.00 C ATOM 730 C ARG B 47 -16.117 1.543 -5.507 1.00 0.00 C ATOM 731 O ARG B 47 -15.934 0.889 -4.480 1.00 0.00 O ATOM 732 CB ARG B 47 -16.838 0.433 -7.644 1.00 0.00 C ATOM 733 CG ARG B 47 -17.817 0.443 -8.819 1.00 0.00 C ATOM 734 CD ARG B 47 -19.235 0.087 -8.391 1.00 0.00 C ATOM 735 NE ARG B 47 -20.202 0.291 -9.466 1.00 0.00 N ATOM 736 CZ ARG B 47 -21.490 0.576 -9.270 1.00 0.00 C ATOM 737 NH1 ARG B 47 -21.971 0.712 -8.036 1.00 0.00 N ATOM 738 NH2 ARG B 47 -22.295 0.731 -10.311 1.00 0.00 N ATOM 0 H ARG B 47 -17.831 2.681 -7.870 1.00 0.00 H new ATOM 0 HA ARG B 47 -18.043 0.678 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -15.877 0.818 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -16.675 -0.598 -7.330 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -17.816 1.430 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -17.480 -0.264 -9.576 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -19.265 -0.954 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -19.517 0.694 -7.531 1.00 0.00 H new ATOM 0 HE ARG B 47 -19.871 0.210 -10.428 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -21.353 0.598 -7.232 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -22.957 0.930 -7.894 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -21.929 0.632 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -23.281 0.949 -10.165 1.00 0.00 H new ATOM 752 N LYS B 48 -15.336 2.543 -5.888 1.00 0.00 N ATOM 753 CA LYS B 48 -14.174 2.986 -5.122 1.00 0.00 C ATOM 754 C LYS B 48 -14.540 3.409 -3.698 1.00 0.00 C ATOM 755 O LYS B 48 -13.761 3.206 -2.763 1.00 0.00 O ATOM 756 CB LYS B 48 -13.511 4.155 -5.858 1.00 0.00 C ATOM 757 CG LYS B 48 -12.719 5.091 -4.956 1.00 0.00 C ATOM 758 CD LYS B 48 -11.992 6.146 -5.754 1.00 0.00 C ATOM 759 CE LYS B 48 -12.969 7.147 -6.316 1.00 0.00 C ATOM 760 NZ LYS B 48 -12.316 8.104 -7.246 1.00 0.00 N ATOM 0 H LYS B 48 -15.490 3.076 -6.744 1.00 0.00 H new ATOM 0 HA LYS B 48 -13.486 2.145 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.845 3.757 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -14.281 4.730 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.393 5.571 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -12.000 4.515 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.265 6.654 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.435 5.678 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.766 6.620 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.434 7.697 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.024 8.774 -7.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.572 8.626 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.894 7.583 -8.041 1.00 0.00 H new ATOM 774 N GLN B 49 -15.720 3.988 -3.539 1.00 0.00 N ATOM 775 CA GLN B 49 -16.124 4.562 -2.263 1.00 0.00 C ATOM 776 C GLN B 49 -16.146 3.521 -1.147 1.00 0.00 C ATOM 777 O GLN B 49 -15.597 3.753 -0.065 1.00 0.00 O ATOM 778 CB GLN B 49 -17.482 5.244 -2.395 1.00 0.00 C ATOM 779 CG GLN B 49 -17.377 6.756 -2.405 1.00 0.00 C ATOM 780 CD GLN B 49 -16.708 7.322 -3.636 1.00 0.00 C ATOM 781 OE1 GLN B 49 -15.482 7.369 -3.727 1.00 0.00 O ATOM 782 NE2 GLN B 49 -17.506 7.819 -4.562 1.00 0.00 N ATOM 0 H GLN B 49 -16.417 4.073 -4.279 1.00 0.00 H new ATOM 0 HA GLN B 49 -15.379 5.309 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -17.964 4.911 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -18.122 4.933 -1.569 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -18.378 7.179 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -16.822 7.076 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -18.518 7.760 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -17.111 8.262 -5.391 1.00 0.00 H new ATOM 791 N ILE B 50 -16.768 2.381 -1.408 1.00 0.00 N ATOM 792 CA ILE B 50 -16.779 1.286 -0.445 1.00 0.00 C ATOM 793 C ILE B 50 -15.357 0.806 -0.174 1.00 0.00 C ATOM 794 O ILE B 50 -14.931 0.692 0.981 1.00 0.00 O ATOM 795 CB ILE B 50 -17.639 0.098 -0.943 1.00 0.00 C ATOM 796 CG1 ILE B 50 -19.132 0.355 -0.683 1.00 0.00 C ATOM 797 CG2 ILE B 50 -17.194 -1.221 -0.317 1.00 0.00 C ATOM 798 CD1 ILE B 50 -19.823 1.164 -1.766 1.00 0.00 C ATOM 0 H ILE B 50 -17.270 2.189 -2.275 1.00 0.00 H new ATOM 0 HA ILE B 50 -17.220 1.665 0.477 1.00 0.00 H new ATOM 0 HB ILE B 50 -17.490 0.014 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -19.641 -0.603 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -19.239 0.876 0.268 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -17.821 -2.031 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -16.154 -1.416 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -17.289 -1.159 0.767 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -20.873 1.300 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -19.342 2.138 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -19.751 0.636 -2.717 1.00 0.00 H new ATOM 810 N ILE B 51 -14.627 0.565 -1.259 1.00 0.00 N ATOM 811 CA ILE B 51 -13.262 0.047 -1.195 1.00 0.00 C ATOM 812 C ILE B 51 -12.388 0.896 -0.283 1.00 0.00 C ATOM 813 O ILE B 51 -11.631 0.380 0.543 1.00 0.00 O ATOM 814 CB ILE B 51 -12.620 0.015 -2.599 1.00 0.00 C ATOM 815 CG1 ILE B 51 -13.418 -0.901 -3.527 1.00 0.00 C ATOM 816 CG2 ILE B 51 -11.165 -0.433 -2.520 1.00 0.00 C ATOM 817 CD1 ILE B 51 -12.901 -0.929 -4.948 1.00 0.00 C ATOM 0 H ILE B 51 -14.964 0.723 -2.209 1.00 0.00 H new ATOM 0 HA ILE B 51 -13.325 -0.964 -0.794 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.639 1.025 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.402 -1.914 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.459 -0.577 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.734 -0.448 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -10.604 0.261 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -11.115 -1.433 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.517 -1.600 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -12.943 0.075 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -11.870 -1.282 -4.953 1.00 0.00 H new ATOM 829 N HIS B 52 -12.512 2.203 -0.433 1.00 0.00 N ATOM 830 CA HIS B 52 -11.669 3.137 0.287 1.00 0.00 C ATOM 831 C HIS B 52 -11.848 3.040 1.792 1.00 0.00 C ATOM 832 O HIS B 52 -10.866 2.975 2.518 1.00 0.00 O ATOM 833 CB HIS B 52 -11.917 4.561 -0.194 1.00 0.00 C ATOM 834 CG HIS B 52 -10.970 4.968 -1.270 1.00 0.00 C ATOM 835 ND1 HIS B 52 -10.553 4.313 -2.380 1.00 0.00 N flip ATOM 836 CD2 HIS B 52 -10.304 6.171 -1.262 1.00 0.00 C flip ATOM 837 CE1 HIS B 52 -9.649 5.124 -3.010 1.00 0.00 C flip ATOM 838 NE2 HIS B 52 -9.515 6.237 -2.315 1.00 0.00 N flip ATOM 0 H HIS B 52 -13.194 2.642 -1.052 1.00 0.00 H new ATOM 0 HA HIS B 52 -10.635 2.865 0.073 1.00 0.00 H new ATOM 0 HB2 HIS B 52 -12.939 4.645 -0.562 1.00 0.00 H new ATOM 0 HB3 HIS B 52 -11.824 5.248 0.647 1.00 0.00 H new ATOM 0 HD2 HIS B 52 -10.411 6.940 -0.511 1.00 0.00 H new ATOM 0 HE1 HIS B 52 -9.129 4.891 -3.928 1.00 0.00 H new ATOM 0 HE2 HIS B 52 -8.903 7.018 -2.553 1.00 0.00 H new ATOM 847 N HIS B 53 -13.086 3.010 2.266 1.00 0.00 N ATOM 848 CA HIS B 53 -13.328 2.971 3.710 1.00 0.00 C ATOM 849 C HIS B 53 -12.851 1.657 4.316 1.00 0.00 C ATOM 850 O HIS B 53 -12.559 1.584 5.503 1.00 0.00 O ATOM 851 CB HIS B 53 -14.804 3.167 4.035 1.00 0.00 C ATOM 852 CG HIS B 53 -15.331 4.511 3.673 1.00 0.00 C ATOM 853 ND1 HIS B 53 -14.829 5.681 4.193 1.00 0.00 N ATOM 854 CD2 HIS B 53 -16.325 4.867 2.831 1.00 0.00 C ATOM 855 CE1 HIS B 53 -15.482 6.702 3.683 1.00 0.00 C ATOM 856 NE2 HIS B 53 -16.399 6.239 2.853 1.00 0.00 N ATOM 0 H HIS B 53 -13.927 3.012 1.688 1.00 0.00 H new ATOM 0 HA HIS B 53 -12.759 3.792 4.145 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.385 2.407 3.511 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -14.955 3.004 5.102 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -16.945 4.200 2.250 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -15.299 7.743 3.905 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -17.055 6.807 2.316 1.00 0.00 H new ATOM 865 N LEU B 54 -12.758 0.628 3.490 1.00 0.00 N ATOM 866 CA LEU B 54 -12.366 -0.695 3.959 1.00 0.00 C ATOM 867 C LEU B 54 -10.866 -0.753 4.213 1.00 0.00 C ATOM 868 O LEU B 54 -10.417 -1.127 5.300 1.00 0.00 O ATOM 869 CB LEU B 54 -12.772 -1.768 2.943 1.00 0.00 C ATOM 870 CG LEU B 54 -14.278 -2.018 2.818 1.00 0.00 C ATOM 871 CD1 LEU B 54 -14.554 -2.956 1.655 1.00 0.00 C ATOM 872 CD2 LEU B 54 -14.841 -2.599 4.112 1.00 0.00 C ATOM 0 H LEU B 54 -12.949 0.681 2.489 1.00 0.00 H new ATOM 0 HA LEU B 54 -12.884 -0.890 4.898 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.386 -1.482 1.965 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.287 -2.705 3.216 1.00 0.00 H new ATOM 0 HG LEU B 54 -14.772 -1.065 2.631 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -15.627 -3.128 1.573 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.187 -2.508 0.731 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.046 -3.905 1.825 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -15.912 -2.768 3.999 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -14.346 -3.545 4.332 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.668 -1.900 4.930 1.00 0.00 H new ATOM 884 N VAL B 55 -10.090 -0.355 3.217 1.00 0.00 N ATOM 885 CA VAL B 55 -8.638 -0.395 3.324 1.00 0.00 C ATOM 886 C VAL B 55 -8.139 0.704 4.254 1.00 0.00 C ATOM 887 O VAL B 55 -7.073 0.590 4.856 1.00 0.00 O ATOM 888 CB VAL B 55 -7.964 -0.275 1.939 1.00 0.00 C ATOM 889 CG1 VAL B 55 -8.621 -1.223 0.953 1.00 0.00 C ATOM 890 CG2 VAL B 55 -8.004 1.149 1.409 1.00 0.00 C ATOM 0 H VAL B 55 -10.439 -0.001 2.326 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.365 -1.363 3.745 1.00 0.00 H new ATOM 0 HB VAL B 55 -6.916 -0.549 2.058 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -8.137 -1.129 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -8.520 -2.248 1.311 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -9.678 -0.974 0.858 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.519 1.188 0.433 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -9.040 1.472 1.312 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -7.481 1.809 2.101 1.00 0.00 H new ATOM 900 N GLN B 56 -8.937 1.756 4.382 1.00 0.00 N ATOM 901 CA GLN B 56 -8.618 2.861 5.271 1.00 0.00 C ATOM 902 C GLN B 56 -8.994 2.530 6.712 1.00 0.00 C ATOM 903 O GLN B 56 -8.503 3.159 7.649 1.00 0.00 O ATOM 904 CB GLN B 56 -9.338 4.133 4.815 1.00 0.00 C ATOM 905 CG GLN B 56 -8.655 4.852 3.654 1.00 0.00 C ATOM 906 CD GLN B 56 -9.344 6.151 3.287 1.00 0.00 C ATOM 907 OE1 GLN B 56 -10.330 6.061 2.412 1.00 0.00 O flip ATOM 908 NE2 GLN B 56 -8.999 7.223 3.790 1.00 0.00 N flip ATOM 0 H GLN B 56 -9.816 1.866 3.876 1.00 0.00 H new ATOM 0 HA GLN B 56 -7.542 3.029 5.231 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -10.356 3.876 4.521 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -9.413 4.818 5.659 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -7.618 5.057 3.918 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -8.638 4.195 2.784 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -8.232 7.248 4.462 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -9.481 8.085 3.534 1.00 0.00 H new ATOM 917 N MET B 57 -9.857 1.535 6.894 1.00 0.00 N ATOM 918 CA MET B 57 -10.279 1.148 8.236 1.00 0.00 C ATOM 919 C MET B 57 -9.328 0.106 8.811 1.00 0.00 C ATOM 920 O MET B 57 -9.476 -0.330 9.951 1.00 0.00 O ATOM 921 CB MET B 57 -11.710 0.602 8.229 1.00 0.00 C ATOM 922 CG MET B 57 -12.391 0.651 9.591 1.00 0.00 C ATOM 923 SD MET B 57 -13.997 -0.177 9.610 1.00 0.00 S ATOM 924 CE MET B 57 -14.826 0.617 8.234 1.00 0.00 C ATOM 0 H MET B 57 -10.273 0.988 6.140 1.00 0.00 H new ATOM 0 HA MET B 57 -10.255 2.038 8.864 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.304 1.173 7.515 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.694 -0.430 7.878 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.741 0.187 10.333 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.522 1.692 9.888 1.00 0.00 H new ATOM 0 HE1 MET B 57 -15.904 0.595 8.396 1.00 0.00 H new ATOM 0 HE2 MET B 57 -14.492 1.652 8.156 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.587 0.088 7.311 1.00 0.00 H new ATOM 934 N GLY B 58 -8.354 -0.299 8.007 1.00 0.00 N ATOM 935 CA GLY B 58 -7.349 -1.236 8.468 1.00 0.00 C ATOM 936 C GLY B 58 -7.830 -2.672 8.463 1.00 0.00 C ATOM 937 O GLY B 58 -7.136 -3.565 8.947 1.00 0.00 O ATOM 0 H GLY B 58 -8.242 0.006 7.040 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -6.465 -1.153 7.835 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -7.044 -0.965 9.479 1.00 0.00 H new ATOM 941 N LEU B 59 -9.019 -2.897 7.924 1.00 0.00 N ATOM 942 CA LEU B 59 -9.567 -4.242 7.834 1.00 0.00 C ATOM 943 C LEU B 59 -9.201 -4.867 6.496 1.00 0.00 C ATOM 944 O LEU B 59 -9.227 -6.086 6.334 1.00 0.00 O ATOM 945 CB LEU B 59 -11.084 -4.223 8.050 1.00 0.00 C ATOM 946 CG LEU B 59 -11.874 -3.290 7.133 1.00 0.00 C ATOM 947 CD1 LEU B 59 -12.183 -3.956 5.807 1.00 0.00 C ATOM 948 CD2 LEU B 59 -13.151 -2.849 7.809 1.00 0.00 C ATOM 0 H LEU B 59 -9.622 -2.167 7.543 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.132 -4.855 8.623 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.463 -5.237 7.920 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -11.281 -3.939 9.084 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.258 -2.413 6.933 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -12.746 -3.268 5.176 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.251 -4.225 5.309 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -12.775 -4.855 5.980 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -13.704 -2.185 7.145 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -13.761 -3.722 8.039 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -12.911 -2.321 8.732 1.00 0.00 H new ATOM 960 N ALA B 60 -8.867 -4.016 5.538 1.00 0.00 N ATOM 961 CA ALA B 60 -8.378 -4.474 4.250 1.00 0.00 C ATOM 962 C ALA B 60 -6.939 -4.033 4.067 1.00 0.00 C ATOM 963 O ALA B 60 -6.469 -3.133 4.766 1.00 0.00 O ATOM 964 CB ALA B 60 -9.241 -3.943 3.119 1.00 0.00 C ATOM 0 H ALA B 60 -8.927 -3.002 5.630 1.00 0.00 H new ATOM 0 HA ALA B 60 -8.428 -5.563 4.225 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -8.852 -4.301 2.166 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -10.265 -4.293 3.248 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -9.226 -2.853 3.130 1.00 0.00 H new ATOM 970 N ASP B 61 -6.246 -4.664 3.136 1.00 0.00 N ATOM 971 CA ASP B 61 -4.851 -4.342 2.887 1.00 0.00 C ATOM 972 C ASP B 61 -4.734 -3.064 2.076 1.00 0.00 C ATOM 973 O ASP B 61 -4.213 -2.057 2.558 1.00 0.00 O ATOM 974 CB ASP B 61 -4.155 -5.483 2.152 1.00 0.00 C ATOM 975 CG ASP B 61 -2.670 -5.232 1.976 1.00 0.00 C ATOM 976 OD1 ASP B 61 -2.271 -4.693 0.922 1.00 0.00 O ATOM 977 OD2 ASP B 61 -1.893 -5.576 2.892 1.00 0.00 O ATOM 0 H ASP B 61 -6.625 -5.401 2.541 1.00 0.00 H new ATOM 0 HA ASP B 61 -4.364 -4.196 3.851 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -4.302 -6.411 2.704 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -4.617 -5.618 1.174 1.00 0.00 H new ATOM 982 N SER B 62 -5.224 -3.099 0.847 1.00 0.00 N ATOM 983 CA SER B 62 -5.136 -1.948 -0.022 1.00 0.00 C ATOM 984 C SER B 62 -6.203 -1.984 -1.101 1.00 0.00 C ATOM 985 O SER B 62 -6.953 -2.952 -1.220 1.00 0.00 O ATOM 986 CB SER B 62 -3.769 -1.895 -0.680 1.00 0.00 C ATOM 987 OG SER B 62 -3.526 -3.074 -1.430 1.00 0.00 O ATOM 0 H SER B 62 -5.684 -3.911 0.435 1.00 0.00 H new ATOM 0 HA SER B 62 -5.290 -1.060 0.592 1.00 0.00 H new ATOM 0 HB2 SER B 62 -3.708 -1.024 -1.333 1.00 0.00 H new ATOM 0 HB3 SER B 62 -2.998 -1.777 0.081 1.00 0.00 H new ATOM 0 HG SER B 62 -4.313 -3.656 -1.388 1.00 0.00 H new ATOM 993 N VAL B 63 -6.245 -0.920 -1.891 1.00 0.00 N ATOM 994 CA VAL B 63 -7.183 -0.808 -2.994 1.00 0.00 C ATOM 995 C VAL B 63 -6.877 -1.846 -4.066 1.00 0.00 C ATOM 996 O VAL B 63 -7.778 -2.336 -4.732 1.00 0.00 O ATOM 997 CB VAL B 63 -7.141 0.614 -3.604 1.00 0.00 C ATOM 998 CG1 VAL B 63 -7.889 0.681 -4.929 1.00 0.00 C ATOM 999 CG2 VAL B 63 -7.713 1.619 -2.619 1.00 0.00 C ATOM 0 H VAL B 63 -5.630 -0.113 -1.784 1.00 0.00 H new ATOM 0 HA VAL B 63 -8.185 -0.992 -2.606 1.00 0.00 H new ATOM 0 HB VAL B 63 -6.099 0.862 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -7.837 1.695 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -7.434 -0.010 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -8.932 0.406 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -7.679 2.617 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -8.746 1.357 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -7.124 1.605 -1.702 1.00 0.00 H new ATOM 1009 N LYS B 64 -5.602 -2.202 -4.189 1.00 0.00 N ATOM 1010 CA LYS B 64 -5.142 -3.136 -5.215 1.00 0.00 C ATOM 1011 C LYS B 64 -5.882 -4.462 -5.132 1.00 0.00 C ATOM 1012 O LYS B 64 -6.226 -5.063 -6.151 1.00 0.00 O ATOM 1013 CB LYS B 64 -3.658 -3.414 -5.036 1.00 0.00 C ATOM 1014 CG LYS B 64 -2.820 -2.176 -4.772 1.00 0.00 C ATOM 1015 CD LYS B 64 -1.340 -2.515 -4.607 1.00 0.00 C ATOM 1016 CE LYS B 64 -1.005 -3.102 -3.232 1.00 0.00 C ATOM 1017 NZ LYS B 64 -1.670 -4.406 -2.962 1.00 0.00 N ATOM 0 H LYS B 64 -4.859 -1.853 -3.583 1.00 0.00 H new ATOM 0 HA LYS B 64 -5.336 -2.675 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -3.528 -4.111 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -3.282 -3.909 -5.931 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -2.942 -1.473 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -3.181 -1.678 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -1.049 -3.227 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -0.748 -1.614 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS B 64 0.075 -3.231 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -1.296 -2.389 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -1.081 -4.969 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -2.599 -4.238 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -1.795 -4.924 -3.855 1.00 0.00 H new ATOM 1031 N ASP B 65 -6.114 -4.902 -3.906 1.00 0.00 N ATOM 1032 CA ASP B 65 -6.751 -6.185 -3.641 1.00 0.00 C ATOM 1033 C ASP B 65 -8.173 -6.199 -4.180 1.00 0.00 C ATOM 1034 O ASP B 65 -8.735 -7.256 -4.459 1.00 0.00 O ATOM 1035 CB ASP B 65 -6.755 -6.453 -2.138 1.00 0.00 C ATOM 1036 CG ASP B 65 -5.360 -6.419 -1.545 1.00 0.00 C ATOM 1037 OD1 ASP B 65 -4.911 -5.323 -1.144 1.00 0.00 O ATOM 1038 OD2 ASP B 65 -4.704 -7.480 -1.490 1.00 0.00 O ATOM 0 H ASP B 65 -5.866 -4.381 -3.065 1.00 0.00 H new ATOM 0 HA ASP B 65 -6.187 -6.969 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -7.378 -5.710 -1.640 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -7.206 -7.427 -1.946 1.00 0.00 H new ATOM 1043 N PHE B 66 -8.737 -5.012 -4.330 1.00 0.00 N ATOM 1044 CA PHE B 66 -10.075 -4.852 -4.874 1.00 0.00 C ATOM 1045 C PHE B 66 -9.990 -4.480 -6.347 1.00 0.00 C ATOM 1046 O PHE B 66 -10.661 -5.066 -7.200 1.00 0.00 O ATOM 1047 CB PHE B 66 -10.815 -3.736 -4.129 1.00 0.00 C ATOM 1048 CG PHE B 66 -10.982 -3.957 -2.650 1.00 0.00 C ATOM 1049 CD1 PHE B 66 -12.244 -4.084 -2.102 1.00 0.00 C ATOM 1050 CD2 PHE B 66 -9.883 -4.023 -1.809 1.00 0.00 C ATOM 1051 CE1 PHE B 66 -12.410 -4.274 -0.745 1.00 0.00 C ATOM 1052 CE2 PHE B 66 -10.041 -4.215 -0.453 1.00 0.00 C ATOM 1053 CZ PHE B 66 -11.307 -4.340 0.081 1.00 0.00 C ATOM 0 H PHE B 66 -8.282 -4.135 -4.079 1.00 0.00 H new ATOM 0 HA PHE B 66 -10.613 -5.793 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -10.278 -2.800 -4.282 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -11.802 -3.614 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -13.111 -4.034 -2.743 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -8.890 -3.923 -2.221 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -13.402 -4.371 -0.330 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -9.175 -4.267 0.190 1.00 0.00 H new ATOM 0 HZ PHE B 66 -11.434 -4.489 1.143 1.00 0.00 H new ATOM 1184 N VAL B 74 3.606 4.898 -2.655 1.00 0.00 N ATOM 1185 CA VAL B 74 3.488 6.274 -2.218 1.00 0.00 C ATOM 1186 C VAL B 74 3.913 7.195 -3.351 1.00 0.00 C ATOM 1187 O VAL B 74 4.862 6.892 -4.055 1.00 0.00 O ATOM 1188 CB VAL B 74 4.384 6.512 -0.972 1.00 0.00 C ATOM 1189 CG1 VAL B 74 5.694 5.737 -1.096 1.00 0.00 C ATOM 1190 CG2 VAL B 74 4.680 7.991 -0.779 1.00 0.00 C ATOM 0 HA VAL B 74 2.453 6.485 -1.948 1.00 0.00 H new ATOM 0 HB VAL B 74 3.836 6.153 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL B 74 6.308 5.917 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL B 74 5.480 4.671 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL B 74 6.230 6.069 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL B 74 5.309 8.124 0.101 1.00 0.00 H new ATOM 0 HG22 VAL B 74 5.198 8.376 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL B 74 3.745 8.534 -0.642 1.00 0.00 H new ATOM 1200 N LEU B 75 3.190 8.290 -3.541 1.00 0.00 N ATOM 1201 CA LEU B 75 3.504 9.250 -4.595 1.00 0.00 C ATOM 1202 C LEU B 75 4.983 9.646 -4.564 1.00 0.00 C ATOM 1203 O LEU B 75 5.404 10.466 -3.756 1.00 0.00 O ATOM 1204 CB LEU B 75 2.603 10.483 -4.455 1.00 0.00 C ATOM 1205 CG LEU B 75 2.458 11.021 -3.027 1.00 0.00 C ATOM 1206 CD1 LEU B 75 3.177 12.349 -2.871 1.00 0.00 C ATOM 1207 CD2 LEU B 75 0.990 11.163 -2.656 1.00 0.00 C ATOM 0 H LEU B 75 2.377 8.538 -2.977 1.00 0.00 H new ATOM 0 HA LEU B 75 3.315 8.781 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU B 75 2.999 11.277 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU B 75 1.612 10.236 -4.836 1.00 0.00 H new ATOM 0 HG LEU B 75 2.919 10.304 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU B 75 3.059 12.709 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU B 75 4.237 12.217 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.752 13.076 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU B 75 0.907 11.546 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU B 75 0.506 11.855 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU B 75 0.503 10.190 -2.718 1.00 0.00 H new ATOM 1219 N TRP B 76 5.772 9.019 -5.425 1.00 0.00 N ATOM 1220 CA TRP B 76 7.201 9.282 -5.486 1.00 0.00 C ATOM 1221 C TRP B 76 7.507 10.359 -6.507 1.00 0.00 C ATOM 1222 O TRP B 76 7.357 10.152 -7.712 1.00 0.00 O ATOM 1223 CB TRP B 76 7.981 8.015 -5.844 1.00 0.00 C ATOM 1224 CG TRP B 76 8.314 7.131 -4.680 1.00 0.00 C ATOM 1225 CD1 TRP B 76 7.552 6.130 -4.172 1.00 0.00 C ATOM 1226 CD2 TRP B 76 9.511 7.150 -3.899 1.00 0.00 C ATOM 1227 NE1 TRP B 76 8.195 5.522 -3.125 1.00 0.00 N ATOM 1228 CE2 TRP B 76 9.400 6.129 -2.937 1.00 0.00 C ATOM 1229 CE3 TRP B 76 10.665 7.924 -3.920 1.00 0.00 C ATOM 1230 CZ2 TRP B 76 10.398 5.867 -2.007 1.00 0.00 C ATOM 1231 CZ3 TRP B 76 11.655 7.664 -2.996 1.00 0.00 C ATOM 1232 CH2 TRP B 76 11.518 6.644 -2.054 1.00 0.00 C ATOM 0 H TRP B 76 5.444 8.322 -6.093 1.00 0.00 H new ATOM 0 HA TRP B 76 7.510 9.622 -4.498 1.00 0.00 H new ATOM 0 HB2 TRP B 76 7.400 7.439 -6.565 1.00 0.00 H new ATOM 0 HB3 TRP B 76 8.908 8.304 -6.340 1.00 0.00 H new ATOM 0 HD1 TRP B 76 6.576 5.851 -4.541 1.00 0.00 H new ATOM 0 HE1 TRP B 76 7.831 4.743 -2.577 1.00 0.00 H new ATOM 0 HE3 TRP B 76 10.784 8.714 -4.646 1.00 0.00 H new ATOM 0 HZ2 TRP B 76 10.291 5.079 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP B 76 12.554 8.262 -3.002 1.00 0.00 H new ATOM 0 HH2 TRP B 76 12.315 6.466 -1.347 1.00 0.00 H new ATOM 1243 N THR B 77 7.916 11.510 -6.021 1.00 0.00 N ATOM 1244 CA THR B 77 8.347 12.584 -6.886 1.00 0.00 C ATOM 1245 C THR B 77 9.857 12.510 -7.076 1.00 0.00 C ATOM 1246 O THR B 77 10.534 11.781 -6.347 1.00 0.00 O ATOM 1247 CB THR B 77 7.950 13.948 -6.292 1.00 0.00 C ATOM 1248 OG1 THR B 77 8.531 14.107 -4.987 1.00 0.00 O ATOM 1249 CG2 THR B 77 6.435 14.057 -6.192 1.00 0.00 C ATOM 0 H THR B 77 7.959 11.726 -5.025 1.00 0.00 H new ATOM 0 HA THR B 77 7.857 12.478 -7.854 1.00 0.00 H new ATOM 0 HB THR B 77 8.322 14.734 -6.949 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.274 14.978 -4.618 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.167 15.026 -5.771 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.997 13.960 -7.185 1.00 0.00 H new ATOM 0 HG23 THR B 77 6.055 13.264 -5.548 1.00 0.00 H new ATOM 1257 N GLY B 78 10.382 13.252 -8.044 1.00 0.00 N ATOM 1258 CA GLY B 78 11.815 13.251 -8.288 1.00 0.00 C ATOM 1259 C GLY B 78 12.596 13.660 -7.057 1.00 0.00 C ATOM 1260 O GLY B 78 13.701 13.172 -6.815 1.00 0.00 O ATOM 0 H GLY B 78 9.842 13.855 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY B 78 12.129 12.256 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY B 78 12.045 13.933 -9.107 1.00 0.00 H new ATOM 1264 N ASP B 79 12.004 14.552 -6.273 1.00 0.00 N ATOM 1265 CA ASP B 79 12.586 14.984 -5.009 1.00 0.00 C ATOM 1266 C ASP B 79 12.708 13.803 -4.058 1.00 0.00 C ATOM 1267 O ASP B 79 13.786 13.523 -3.537 1.00 0.00 O ATOM 1268 CB ASP B 79 11.717 16.062 -4.358 1.00 0.00 C ATOM 1269 CG ASP B 79 11.517 17.274 -5.241 1.00 0.00 C ATOM 1270 OD1 ASP B 79 10.488 17.340 -5.945 1.00 0.00 O ATOM 1271 OD2 ASP B 79 12.385 18.169 -5.233 1.00 0.00 O ATOM 0 H ASP B 79 11.112 14.994 -6.494 1.00 0.00 H new ATOM 0 HA ASP B 79 13.575 15.395 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP B 79 10.745 15.636 -4.110 1.00 0.00 H new ATOM 0 HB3 ASP B 79 12.177 16.374 -3.421 1.00 0.00 H new ATOM 1276 N GLN B 80 11.592 13.105 -3.858 1.00 0.00 N ATOM 1277 CA GLN B 80 11.544 11.955 -2.961 1.00 0.00 C ATOM 1278 C GLN B 80 12.502 10.865 -3.407 1.00 0.00 C ATOM 1279 O GLN B 80 13.168 10.239 -2.578 1.00 0.00 O ATOM 1280 CB GLN B 80 10.129 11.388 -2.889 1.00 0.00 C ATOM 1281 CG GLN B 80 9.166 12.247 -2.095 1.00 0.00 C ATOM 1282 CD GLN B 80 7.771 11.659 -2.043 1.00 0.00 C ATOM 1283 OE1 GLN B 80 7.671 10.337 -2.144 1.00 0.00 O flip ATOM 1284 NE2 GLN B 80 6.788 12.385 -1.918 1.00 0.00 N flip ATOM 0 H GLN B 80 10.703 13.319 -4.310 1.00 0.00 H new ATOM 0 HA GLN B 80 11.846 12.301 -1.973 1.00 0.00 H new ATOM 0 HB2 GLN B 80 9.744 11.268 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN B 80 10.168 10.394 -2.443 1.00 0.00 H new ATOM 0 HG2 GLN B 80 9.544 12.367 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN B 80 9.121 13.242 -2.538 1.00 0.00 H new ATOM 0 HE21 GLN B 80 6.906 13.395 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN B 80 5.853 11.977 -1.889 1.00 0.00 H new ATOM 1293 N GLU B 81 12.556 10.627 -4.712 1.00 0.00 N ATOM 1294 CA GLU B 81 13.457 9.626 -5.262 1.00 0.00 C ATOM 1295 C GLU B 81 14.894 9.971 -4.907 1.00 0.00 C ATOM 1296 O GLU B 81 15.640 9.124 -4.426 1.00 0.00 O ATOM 1297 CB GLU B 81 13.281 9.512 -6.777 1.00 0.00 C ATOM 1298 CG GLU B 81 11.896 9.027 -7.181 1.00 0.00 C ATOM 1299 CD GLU B 81 11.740 8.854 -8.677 1.00 0.00 C ATOM 1300 OE1 GLU B 81 12.059 9.797 -9.425 1.00 0.00 O ATOM 1301 OE2 GLU B 81 11.268 7.781 -9.115 1.00 0.00 O ATOM 0 H GLU B 81 11.988 11.113 -5.406 1.00 0.00 H new ATOM 0 HA GLU B 81 13.214 8.657 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU B 81 13.466 10.485 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU B 81 14.030 8.826 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU B 81 11.692 8.076 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU B 81 11.150 9.737 -6.824 1.00 0.00 H new ATOM 1308 N LEU B 82 15.251 11.234 -5.100 1.00 0.00 N ATOM 1309 CA LEU B 82 16.585 11.721 -4.772 1.00 0.00 C ATOM 1310 C LEU B 82 16.855 11.618 -3.268 1.00 0.00 C ATOM 1311 O LEU B 82 17.985 11.344 -2.849 1.00 0.00 O ATOM 1312 CB LEU B 82 16.740 13.167 -5.260 1.00 0.00 C ATOM 1313 CG LEU B 82 18.057 13.861 -4.899 1.00 0.00 C ATOM 1314 CD1 LEU B 82 18.502 14.767 -6.032 1.00 0.00 C ATOM 1315 CD2 LEU B 82 17.900 14.677 -3.625 1.00 0.00 C ATOM 0 H LEU B 82 14.630 11.945 -5.485 1.00 0.00 H new ATOM 0 HA LEU B 82 17.321 11.097 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU B 82 16.633 13.177 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU B 82 15.918 13.757 -4.853 1.00 0.00 H new ATOM 0 HG LEU B 82 18.813 13.093 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU B 82 19.439 15.254 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU B 82 18.648 14.175 -6.935 1.00 0.00 H new ATOM 0 HD13 LEU B 82 17.739 15.524 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU B 82 18.846 15.162 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU B 82 17.130 15.435 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU B 82 17.611 14.019 -2.805 1.00 0.00 H new ATOM 1327 N GLU B 83 15.816 11.838 -2.460 1.00 0.00 N ATOM 1328 CA GLU B 83 15.936 11.742 -1.008 1.00 0.00 C ATOM 1329 C GLU B 83 16.462 10.383 -0.588 1.00 0.00 C ATOM 1330 O GLU B 83 17.509 10.277 0.052 1.00 0.00 O ATOM 1331 CB GLU B 83 14.590 11.935 -0.312 1.00 0.00 C ATOM 1332 CG GLU B 83 13.971 13.306 -0.457 1.00 0.00 C ATOM 1333 CD GLU B 83 12.703 13.416 0.358 1.00 0.00 C ATOM 1334 OE1 GLU B 83 11.804 12.559 0.186 1.00 0.00 O ATOM 1335 OE2 GLU B 83 12.612 14.340 1.191 1.00 0.00 O ATOM 0 H GLU B 83 14.882 12.084 -2.789 1.00 0.00 H new ATOM 0 HA GLU B 83 16.628 12.532 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU B 83 13.890 11.197 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU B 83 14.717 11.724 0.750 1.00 0.00 H new ATOM 0 HG2 GLU B 83 14.682 14.066 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU B 83 13.751 13.501 -1.507 1.00 0.00 H new ATOM 1342 N LEU B 84 15.726 9.346 -0.955 1.00 0.00 N ATOM 1343 CA LEU B 84 16.010 8.012 -0.464 1.00 0.00 C ATOM 1344 C LEU B 84 17.136 7.371 -1.266 1.00 0.00 C ATOM 1345 O LEU B 84 17.850 6.523 -0.750 1.00 0.00 O ATOM 1346 CB LEU B 84 14.736 7.156 -0.498 1.00 0.00 C ATOM 1347 CG LEU B 84 14.776 5.877 0.351 1.00 0.00 C ATOM 1348 CD1 LEU B 84 13.385 5.518 0.847 1.00 0.00 C ATOM 1349 CD2 LEU B 84 15.346 4.717 -0.448 1.00 0.00 C ATOM 0 H LEU B 84 14.930 9.405 -1.590 1.00 0.00 H new ATOM 0 HA LEU B 84 16.345 8.080 0.571 1.00 0.00 H new ATOM 0 HB2 LEU B 84 13.899 7.768 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU B 84 14.533 6.878 -1.532 1.00 0.00 H new ATOM 0 HG LEU B 84 15.421 6.067 1.209 1.00 0.00 H new ATOM 0 HD11 LEU B 84 13.436 4.609 1.446 1.00 0.00 H new ATOM 0 HD12 LEU B 84 12.994 6.333 1.456 1.00 0.00 H new ATOM 0 HD13 LEU B 84 12.726 5.354 -0.005 1.00 0.00 H new ATOM 0 HD21 LEU B 84 15.365 3.822 0.173 1.00 0.00 H new ATOM 0 HD22 LEU B 84 14.723 4.538 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU B 84 16.360 4.958 -0.767 1.00 0.00 H new ATOM 1361 N GLN B 85 17.298 7.795 -2.517 1.00 0.00 N ATOM 1362 CA GLN B 85 18.386 7.306 -3.366 1.00 0.00 C ATOM 1363 C GLN B 85 19.719 7.488 -2.651 1.00 0.00 C ATOM 1364 O GLN B 85 20.407 6.520 -2.326 1.00 0.00 O ATOM 1365 CB GLN B 85 18.378 8.080 -4.694 1.00 0.00 C ATOM 1366 CG GLN B 85 19.270 7.519 -5.796 1.00 0.00 C ATOM 1367 CD GLN B 85 20.747 7.779 -5.584 1.00 0.00 C ATOM 1368 OE1 GLN B 85 21.463 6.950 -5.033 1.00 0.00 O ATOM 1369 NE2 GLN B 85 21.210 8.942 -6.002 1.00 0.00 N ATOM 0 H GLN B 85 16.689 8.478 -2.968 1.00 0.00 H new ATOM 0 HA GLN B 85 18.246 6.245 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN B 85 17.354 8.116 -5.065 1.00 0.00 H new ATOM 0 HB3 GLN B 85 18.682 9.108 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN B 85 19.107 6.444 -5.869 1.00 0.00 H new ATOM 0 HG3 GLN B 85 18.968 7.952 -6.750 1.00 0.00 H new ATOM 0 HE21 GLN B 85 20.584 9.607 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN B 85 22.194 9.176 -5.871 1.00 0.00 H new ATOM 1378 N ARG B 86 20.046 8.739 -2.369 1.00 0.00 N ATOM 1379 CA ARG B 86 21.299 9.077 -1.717 1.00 0.00 C ATOM 1380 C ARG B 86 21.347 8.528 -0.296 1.00 0.00 C ATOM 1381 O ARG B 86 22.381 8.029 0.151 1.00 0.00 O ATOM 1382 CB ARG B 86 21.478 10.590 -1.689 1.00 0.00 C ATOM 1383 CG ARG B 86 21.652 11.217 -3.061 1.00 0.00 C ATOM 1384 CD ARG B 86 21.684 12.735 -2.962 1.00 0.00 C ATOM 1385 NE ARG B 86 22.443 13.191 -1.794 1.00 0.00 N ATOM 1386 CZ ARG B 86 22.001 14.105 -0.926 1.00 0.00 C ATOM 1387 NH1 ARG B 86 20.843 14.721 -1.134 1.00 0.00 N ATOM 1388 NH2 ARG B 86 22.723 14.406 0.145 1.00 0.00 N ATOM 0 H ARG B 86 19.455 9.542 -2.584 1.00 0.00 H new ATOM 0 HA ARG B 86 22.110 8.623 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG B 86 20.612 11.039 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG B 86 22.347 10.831 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG B 86 22.576 10.858 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG B 86 20.835 10.908 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG B 86 22.128 13.148 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG B 86 20.665 13.117 -2.904 1.00 0.00 H new ATOM 0 HE ARG B 86 23.365 12.786 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG B 86 20.287 14.497 -1.959 1.00 0.00 H new ATOM 0 HH12 ARG B 86 20.509 15.418 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG B 86 23.616 13.940 0.306 1.00 0.00 H new ATOM 0 HH22 ARG B 86 22.386 15.104 0.808 1.00 0.00 H new ATOM 1402 N LEU B 87 20.218 8.614 0.399 1.00 0.00 N ATOM 1403 CA LEU B 87 20.132 8.197 1.794 1.00 0.00 C ATOM 1404 C LEU B 87 20.389 6.697 1.927 1.00 0.00 C ATOM 1405 O LEU B 87 21.061 6.249 2.860 1.00 0.00 O ATOM 1406 CB LEU B 87 18.749 8.539 2.346 1.00 0.00 C ATOM 1407 CG LEU B 87 18.662 8.680 3.865 1.00 0.00 C ATOM 1408 CD1 LEU B 87 19.330 9.969 4.319 1.00 0.00 C ATOM 1409 CD2 LEU B 87 17.213 8.642 4.311 1.00 0.00 C ATOM 0 H LEU B 87 19.343 8.972 0.015 1.00 0.00 H new ATOM 0 HA LEU B 87 20.894 8.728 2.365 1.00 0.00 H new ATOM 0 HB2 LEU B 87 18.417 9.473 1.893 1.00 0.00 H new ATOM 0 HB3 LEU B 87 18.050 7.765 2.030 1.00 0.00 H new ATOM 0 HG LEU B 87 19.188 7.844 4.325 1.00 0.00 H new ATOM 0 HD11 LEU B 87 19.259 10.053 5.403 1.00 0.00 H new ATOM 0 HD12 LEU B 87 20.379 9.959 4.024 1.00 0.00 H new ATOM 0 HD13 LEU B 87 18.831 10.820 3.855 1.00 0.00 H new ATOM 0 HD21 LEU B 87 17.163 8.743 5.395 1.00 0.00 H new ATOM 0 HD22 LEU B 87 16.667 9.462 3.844 1.00 0.00 H new ATOM 0 HD23 LEU B 87 16.766 7.693 4.014 1.00 0.00 H new ATOM 1421 N PHE B 88 19.843 5.935 0.985 1.00 0.00 N ATOM 1422 CA PHE B 88 20.031 4.493 0.933 1.00 0.00 C ATOM 1423 C PHE B 88 21.508 4.137 0.856 1.00 0.00 C ATOM 1424 O PHE B 88 21.962 3.229 1.537 1.00 0.00 O ATOM 1425 CB PHE B 88 19.242 3.918 -0.255 1.00 0.00 C ATOM 1426 CG PHE B 88 19.880 2.749 -0.957 1.00 0.00 C ATOM 1427 CD1 PHE B 88 20.455 2.918 -2.208 1.00 0.00 C ATOM 1428 CD2 PHE B 88 19.890 1.485 -0.385 1.00 0.00 C ATOM 1429 CE1 PHE B 88 21.030 1.854 -2.872 1.00 0.00 C ATOM 1430 CE2 PHE B 88 20.467 0.418 -1.047 1.00 0.00 C ATOM 1431 CZ PHE B 88 21.035 0.604 -2.291 1.00 0.00 C ATOM 0 H PHE B 88 19.257 6.303 0.236 1.00 0.00 H new ATOM 0 HA PHE B 88 19.648 4.047 1.851 1.00 0.00 H new ATOM 0 HB2 PHE B 88 18.258 3.612 0.100 1.00 0.00 H new ATOM 0 HB3 PHE B 88 19.085 4.714 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE B 88 20.453 3.895 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE B 88 19.443 1.334 0.586 1.00 0.00 H new ATOM 0 HE1 PHE B 88 21.475 2.000 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE B 88 20.473 -0.561 -0.591 1.00 0.00 H new ATOM 0 HZ PHE B 88 21.484 -0.230 -2.810 1.00 0.00 H new ATOM 1441 N GLU B 89 22.259 4.866 0.045 1.00 0.00 N ATOM 1442 CA GLU B 89 23.689 4.623 -0.081 1.00 0.00 C ATOM 1443 C GLU B 89 24.420 5.035 1.186 1.00 0.00 C ATOM 1444 O GLU B 89 25.353 4.362 1.625 1.00 0.00 O ATOM 1445 CB GLU B 89 24.262 5.404 -1.250 1.00 0.00 C ATOM 1446 CG GLU B 89 23.509 5.213 -2.546 1.00 0.00 C ATOM 1447 CD GLU B 89 24.245 5.814 -3.723 1.00 0.00 C ATOM 1448 OE1 GLU B 89 24.436 7.051 -3.744 1.00 0.00 O ATOM 1449 OE2 GLU B 89 24.657 5.052 -4.624 1.00 0.00 O ATOM 0 H GLU B 89 21.905 5.628 -0.534 1.00 0.00 H new ATOM 0 HA GLU B 89 23.828 3.555 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU B 89 24.267 6.464 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU B 89 25.300 5.107 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU B 89 23.353 4.149 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU B 89 22.523 5.670 -2.463 1.00 0.00 H new ATOM 1456 N GLU B 90 23.980 6.143 1.769 1.00 0.00 N ATOM 1457 CA GLU B 90 24.628 6.710 2.943 1.00 0.00 C ATOM 1458 C GLU B 90 24.646 5.724 4.105 1.00 0.00 C ATOM 1459 O GLU B 90 25.696 5.470 4.697 1.00 0.00 O ATOM 1460 CB GLU B 90 23.918 7.999 3.349 1.00 0.00 C ATOM 1461 CG GLU B 90 24.308 9.201 2.506 1.00 0.00 C ATOM 1462 CD GLU B 90 25.779 9.548 2.632 1.00 0.00 C ATOM 1463 OE1 GLU B 90 26.601 8.949 1.912 1.00 0.00 O ATOM 1464 OE2 GLU B 90 26.121 10.428 3.451 1.00 0.00 O ATOM 0 H GLU B 90 23.170 6.670 1.444 1.00 0.00 H new ATOM 0 HA GLU B 90 25.664 6.931 2.687 1.00 0.00 H new ATOM 0 HB2 GLU B 90 22.841 7.849 3.276 1.00 0.00 H new ATOM 0 HB3 GLU B 90 24.140 8.212 4.395 1.00 0.00 H new ATOM 0 HG2 GLU B 90 24.074 8.998 1.461 1.00 0.00 H new ATOM 0 HG3 GLU B 90 23.709 10.061 2.806 1.00 0.00 H new ATOM 1471 N PHE B 91 23.494 5.149 4.414 1.00 0.00 N ATOM 1472 CA PHE B 91 23.388 4.240 5.548 1.00 0.00 C ATOM 1473 C PHE B 91 23.412 2.782 5.097 1.00 0.00 C ATOM 1474 O PHE B 91 23.112 1.878 5.874 1.00 0.00 O ATOM 1475 CB PHE B 91 22.120 4.535 6.353 1.00 0.00 C ATOM 1476 CG PHE B 91 22.093 5.918 6.935 1.00 0.00 C ATOM 1477 CD1 PHE B 91 22.922 6.254 7.992 1.00 0.00 C ATOM 1478 CD2 PHE B 91 21.243 6.884 6.420 1.00 0.00 C ATOM 1479 CE1 PHE B 91 22.903 7.527 8.528 1.00 0.00 C ATOM 1480 CE2 PHE B 91 21.219 8.158 6.953 1.00 0.00 C ATOM 1481 CZ PHE B 91 22.051 8.480 8.007 1.00 0.00 C ATOM 0 H PHE B 91 22.624 5.293 3.901 1.00 0.00 H new ATOM 0 HA PHE B 91 24.254 4.402 6.189 1.00 0.00 H new ATOM 0 HB2 PHE B 91 21.251 4.403 5.709 1.00 0.00 H new ATOM 0 HB3 PHE B 91 22.033 3.807 7.160 1.00 0.00 H new ATOM 0 HD1 PHE B 91 23.591 5.512 8.402 1.00 0.00 H new ATOM 0 HD2 PHE B 91 20.593 6.638 5.593 1.00 0.00 H new ATOM 0 HE1 PHE B 91 23.554 7.776 9.353 1.00 0.00 H new ATOM 0 HE2 PHE B 91 20.550 8.902 6.546 1.00 0.00 H new ATOM 0 HZ PHE B 91 22.035 9.476 8.423 1.00 0.00 H new ATOM 1491 N ARG B 92 23.796 2.556 3.846 1.00 0.00 N ATOM 1492 CA ARG B 92 23.899 1.203 3.294 1.00 0.00 C ATOM 1493 C ARG B 92 25.038 0.438 3.956 1.00 0.00 C ATOM 1494 O ARG B 92 25.119 -0.788 3.885 1.00 0.00 O ATOM 1495 CB ARG B 92 24.108 1.277 1.781 1.00 0.00 C ATOM 1496 CG ARG B 92 24.338 -0.065 1.113 1.00 0.00 C ATOM 1497 CD ARG B 92 24.190 0.047 -0.395 1.00 0.00 C ATOM 1498 NE ARG B 92 24.135 -1.260 -1.053 1.00 0.00 N ATOM 1499 CZ ARG B 92 24.356 -1.446 -2.355 1.00 0.00 C ATOM 1500 NH1 ARG B 92 24.640 -0.414 -3.143 1.00 0.00 N ATOM 1501 NH2 ARG B 92 24.279 -2.665 -2.876 1.00 0.00 N ATOM 0 H ARG B 92 24.043 3.295 3.188 1.00 0.00 H new ATOM 0 HA ARG B 92 22.971 0.668 3.497 1.00 0.00 H new ATOM 0 HB2 ARG B 92 23.236 1.749 1.329 1.00 0.00 H new ATOM 0 HB3 ARG B 92 24.962 1.922 1.576 1.00 0.00 H new ATOM 0 HG2 ARG B 92 25.335 -0.432 1.358 1.00 0.00 H new ATOM 0 HG3 ARG B 92 23.626 -0.795 1.499 1.00 0.00 H new ATOM 0 HD2 ARG B 92 23.283 0.605 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG B 92 25.027 0.618 -0.797 1.00 0.00 H new ATOM 0 HE ARG B 92 23.915 -2.076 -0.482 1.00 0.00 H new ATOM 0 HH11 ARG B 92 24.690 0.527 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG B 92 24.808 -0.563 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG B 92 24.051 -3.461 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG B 92 24.448 -2.806 -3.872 1.00 0.00 H new ATOM 1515 N ASP B 93 25.898 1.179 4.625 1.00 0.00 N ATOM 1516 CA ASP B 93 27.064 0.611 5.276 1.00 0.00 C ATOM 1517 C ASP B 93 26.721 0.097 6.677 1.00 0.00 C ATOM 1518 O ASP B 93 27.593 -0.335 7.430 1.00 0.00 O ATOM 1519 CB ASP B 93 28.168 1.664 5.324 1.00 0.00 C ATOM 1520 CG ASP B 93 29.481 1.123 5.853 1.00 0.00 C ATOM 1521 OD1 ASP B 93 29.982 1.651 6.869 1.00 0.00 O ATOM 1522 OD2 ASP B 93 30.015 0.167 5.263 1.00 0.00 O ATOM 0 H ASP B 93 25.810 2.189 4.733 1.00 0.00 H new ATOM 0 HA ASP B 93 27.414 -0.247 4.703 1.00 0.00 H new ATOM 0 HB2 ASP B 93 28.324 2.065 4.322 1.00 0.00 H new ATOM 0 HB3 ASP B 93 27.844 2.494 5.952 1.00 0.00 H new ATOM 1527 N SER B 94 25.440 0.125 7.018 1.00 0.00 N ATOM 1528 CA SER B 94 24.993 -0.409 8.293 1.00 0.00 C ATOM 1529 C SER B 94 24.179 -1.683 8.077 1.00 0.00 C ATOM 1530 O SER B 94 23.909 -2.068 6.938 1.00 0.00 O ATOM 1531 CB SER B 94 24.184 0.637 9.071 1.00 0.00 C ATOM 1532 OG SER B 94 23.048 1.081 8.343 1.00 0.00 O ATOM 0 H SER B 94 24.698 0.509 6.433 1.00 0.00 H new ATOM 0 HA SER B 94 25.870 -0.660 8.890 1.00 0.00 H new ATOM 0 HB2 SER B 94 23.862 0.212 10.022 1.00 0.00 H new ATOM 0 HB3 SER B 94 24.822 1.490 9.303 1.00 0.00 H new ATOM 0 HG SER B 94 23.341 1.577 7.550 1.00 0.00 H new ATOM 1538 N ASP B 95 23.805 -2.333 9.171 1.00 0.00 N ATOM 1539 CA ASP B 95 23.058 -3.588 9.111 1.00 0.00 C ATOM 1540 C ASP B 95 21.702 -3.395 8.445 1.00 0.00 C ATOM 1541 O ASP B 95 21.316 -4.159 7.557 1.00 0.00 O ATOM 1542 CB ASP B 95 22.867 -4.152 10.520 1.00 0.00 C ATOM 1543 CG ASP B 95 22.038 -5.420 10.537 1.00 0.00 C ATOM 1544 OD1 ASP B 95 22.612 -6.511 10.334 1.00 0.00 O ATOM 1545 OD2 ASP B 95 20.813 -5.336 10.776 1.00 0.00 O ATOM 0 H ASP B 95 24.007 -2.011 10.118 1.00 0.00 H new ATOM 0 HA ASP B 95 23.634 -4.293 8.511 1.00 0.00 H new ATOM 0 HB2 ASP B 95 23.843 -4.355 10.960 1.00 0.00 H new ATOM 0 HB3 ASP B 95 22.386 -3.400 11.145 1.00 0.00 H new ATOM 1550 N ASP B 96 20.986 -2.372 8.878 1.00 0.00 N ATOM 1551 CA ASP B 96 19.673 -2.070 8.333 1.00 0.00 C ATOM 1552 C ASP B 96 19.626 -0.626 7.868 1.00 0.00 C ATOM 1553 O ASP B 96 19.489 0.297 8.676 1.00 0.00 O ATOM 1554 CB ASP B 96 18.590 -2.320 9.382 1.00 0.00 C ATOM 1555 CG ASP B 96 17.196 -1.976 8.897 1.00 0.00 C ATOM 1556 OD1 ASP B 96 16.931 -2.072 7.683 1.00 0.00 O ATOM 1557 OD2 ASP B 96 16.346 -1.623 9.744 1.00 0.00 O ATOM 0 H ASP B 96 21.294 -1.732 9.610 1.00 0.00 H new ATOM 0 HA ASP B 96 19.488 -2.724 7.481 1.00 0.00 H new ATOM 0 HB2 ASP B 96 18.616 -3.369 9.678 1.00 0.00 H new ATOM 0 HB3 ASP B 96 18.813 -1.732 10.272 1.00 0.00 H new ATOM 1562 N VAL B 97 19.759 -0.431 6.567 1.00 0.00 N ATOM 1563 CA VAL B 97 19.766 0.906 6.005 1.00 0.00 C ATOM 1564 C VAL B 97 18.378 1.534 6.062 1.00 0.00 C ATOM 1565 O VAL B 97 18.248 2.721 6.352 1.00 0.00 O ATOM 1566 CB VAL B 97 20.316 0.928 4.553 1.00 0.00 C ATOM 1567 CG1 VAL B 97 19.602 -0.065 3.653 1.00 0.00 C ATOM 1568 CG2 VAL B 97 20.223 2.323 3.959 1.00 0.00 C ATOM 0 H VAL B 97 19.863 -1.180 5.883 1.00 0.00 H new ATOM 0 HA VAL B 97 20.441 1.502 6.619 1.00 0.00 H new ATOM 0 HB VAL B 97 21.363 0.632 4.611 1.00 0.00 H new ATOM 0 HG11 VAL B 97 20.022 -0.013 2.648 1.00 0.00 H new ATOM 0 HG12 VAL B 97 19.731 -1.073 4.048 1.00 0.00 H new ATOM 0 HG13 VAL B 97 18.540 0.176 3.616 1.00 0.00 H new ATOM 0 HG21 VAL B 97 20.614 2.312 2.942 1.00 0.00 H new ATOM 0 HG22 VAL B 97 19.181 2.643 3.944 1.00 0.00 H new ATOM 0 HG23 VAL B 97 20.807 3.016 4.565 1.00 0.00 H new ATOM 1578 N LEU B 98 17.340 0.730 5.849 1.00 0.00 N ATOM 1579 CA LEU B 98 15.980 1.256 5.779 1.00 0.00 C ATOM 1580 C LEU B 98 15.522 1.781 7.132 1.00 0.00 C ATOM 1581 O LEU B 98 14.758 2.743 7.202 1.00 0.00 O ATOM 1582 CB LEU B 98 14.994 0.206 5.262 1.00 0.00 C ATOM 1583 CG LEU B 98 15.207 -0.248 3.818 1.00 0.00 C ATOM 1584 CD1 LEU B 98 16.226 -1.371 3.749 1.00 0.00 C ATOM 1585 CD2 LEU B 98 13.891 -0.682 3.198 1.00 0.00 C ATOM 0 H LEU B 98 17.413 -0.280 5.723 1.00 0.00 H new ATOM 0 HA LEU B 98 15.996 2.085 5.071 1.00 0.00 H new ATOM 0 HB2 LEU B 98 15.049 -0.668 5.910 1.00 0.00 H new ATOM 0 HB3 LEU B 98 13.984 0.607 5.353 1.00 0.00 H new ATOM 0 HG LEU B 98 15.595 0.597 3.249 1.00 0.00 H new ATOM 0 HD11 LEU B 98 16.361 -1.677 2.712 1.00 0.00 H new ATOM 0 HD12 LEU B 98 17.178 -1.024 4.151 1.00 0.00 H new ATOM 0 HD13 LEU B 98 15.872 -2.220 4.335 1.00 0.00 H new ATOM 0 HD21 LEU B 98 14.061 -1.002 2.170 1.00 0.00 H new ATOM 0 HD22 LEU B 98 13.474 -1.510 3.772 1.00 0.00 H new ATOM 0 HD23 LEU B 98 13.192 0.154 3.207 1.00 0.00 H new ATOM 1597 N GLY B 99 15.996 1.157 8.201 1.00 0.00 N ATOM 1598 CA GLY B 99 15.694 1.642 9.535 1.00 0.00 C ATOM 1599 C GLY B 99 16.244 3.032 9.757 1.00 0.00 C ATOM 1600 O GLY B 99 15.594 3.887 10.354 1.00 0.00 O ATOM 0 H GLY B 99 16.584 0.324 8.170 1.00 0.00 H new ATOM 0 HA2 GLY B 99 14.614 1.649 9.685 1.00 0.00 H new ATOM 0 HA3 GLY B 99 16.115 0.961 10.275 1.00 0.00 H new ATOM 1604 N HIS B 100 17.434 3.268 9.229 1.00 0.00 N ATOM 1605 CA HIS B 100 18.082 4.557 9.360 1.00 0.00 C ATOM 1606 C HIS B 100 17.485 5.525 8.353 1.00 0.00 C ATOM 1607 O HIS B 100 17.445 6.732 8.583 1.00 0.00 O ATOM 1608 CB HIS B 100 19.596 4.421 9.164 1.00 0.00 C ATOM 1609 CG HIS B 100 20.257 3.569 10.208 1.00 0.00 C ATOM 1610 ND1 HIS B 100 21.271 2.674 9.932 1.00 0.00 N ATOM 1611 CD2 HIS B 100 20.049 3.491 11.544 1.00 0.00 C ATOM 1612 CE1 HIS B 100 21.653 2.090 11.051 1.00 0.00 C ATOM 1613 NE2 HIS B 100 20.929 2.566 12.042 1.00 0.00 N ATOM 0 H HIS B 100 17.971 2.578 8.704 1.00 0.00 H new ATOM 0 HA HIS B 100 17.914 4.946 10.364 1.00 0.00 H new ATOM 0 HB2 HIS B 100 19.791 3.994 8.180 1.00 0.00 H new ATOM 0 HB3 HIS B 100 20.047 5.413 9.176 1.00 0.00 H new ATOM 0 HD1 HIS B 100 21.663 2.493 9.008 1.00 0.00 H new ATOM 0 HD2 HIS B 100 19.323 4.054 12.112 1.00 0.00 H new ATOM 0 HE1 HIS B 100 22.430 1.345 11.140 1.00 0.00 H new ATOM 1622 N ILE B 101 17.011 4.976 7.239 1.00 0.00 N ATOM 1623 CA ILE B 101 16.274 5.749 6.254 1.00 0.00 C ATOM 1624 C ILE B 101 15.045 6.376 6.889 1.00 0.00 C ATOM 1625 O ILE B 101 14.895 7.588 6.874 1.00 0.00 O ATOM 1626 CB ILE B 101 15.838 4.882 5.046 1.00 0.00 C ATOM 1627 CG1 ILE B 101 17.054 4.519 4.186 1.00 0.00 C ATOM 1628 CG2 ILE B 101 14.781 5.599 4.209 1.00 0.00 C ATOM 1629 CD1 ILE B 101 16.719 3.676 2.972 1.00 0.00 C ATOM 0 H ILE B 101 17.127 3.992 6.998 1.00 0.00 H new ATOM 0 HA ILE B 101 16.944 6.528 5.891 1.00 0.00 H new ATOM 0 HB ILE B 101 15.394 3.963 5.428 1.00 0.00 H new ATOM 0 HG12 ILE B 101 17.540 5.437 3.856 1.00 0.00 H new ATOM 0 HG13 ILE B 101 17.775 3.981 4.802 1.00 0.00 H new ATOM 0 HG21 ILE B 101 14.493 4.968 3.368 1.00 0.00 H new ATOM 0 HG22 ILE B 101 13.906 5.803 4.826 1.00 0.00 H new ATOM 0 HG23 ILE B 101 15.189 6.538 3.835 1.00 0.00 H new ATOM 0 HD11 ILE B 101 17.631 3.461 2.415 1.00 0.00 H new ATOM 0 HD12 ILE B 101 16.261 2.740 3.294 1.00 0.00 H new ATOM 0 HD13 ILE B 101 16.023 4.219 2.333 1.00 0.00 H new ATOM 1641 N MET B 102 14.193 5.541 7.475 1.00 0.00 N ATOM 1642 CA MET B 102 12.933 5.998 8.054 1.00 0.00 C ATOM 1643 C MET B 102 13.138 7.109 9.077 1.00 0.00 C ATOM 1644 O MET B 102 12.356 8.059 9.139 1.00 0.00 O ATOM 1645 CB MET B 102 12.192 4.837 8.705 1.00 0.00 C ATOM 1646 CG MET B 102 11.702 3.803 7.711 1.00 0.00 C ATOM 1647 SD MET B 102 10.811 2.455 8.502 1.00 0.00 S ATOM 1648 CE MET B 102 9.995 1.759 7.074 1.00 0.00 C ATOM 0 H MET B 102 14.353 4.537 7.562 1.00 0.00 H new ATOM 0 HA MET B 102 12.337 6.402 7.235 1.00 0.00 H new ATOM 0 HB2 MET B 102 12.851 4.353 9.426 1.00 0.00 H new ATOM 0 HB3 MET B 102 11.340 5.226 9.263 1.00 0.00 H new ATOM 0 HG2 MET B 102 11.052 4.285 6.981 1.00 0.00 H new ATOM 0 HG3 MET B 102 12.553 3.399 7.162 1.00 0.00 H new ATOM 0 HE1 MET B 102 9.884 0.683 7.207 1.00 0.00 H new ATOM 0 HE2 MET B 102 9.011 2.214 6.959 1.00 0.00 H new ATOM 0 HE3 MET B 102 10.591 1.955 6.183 1.00 0.00 H new ATOM 1658 N LYS B 103 14.187 6.990 9.875 1.00 0.00 N ATOM 1659 CA LYS B 103 14.480 7.990 10.900 1.00 0.00 C ATOM 1660 C LYS B 103 15.041 9.278 10.298 1.00 0.00 C ATOM 1661 O LYS B 103 14.929 10.345 10.900 1.00 0.00 O ATOM 1662 CB LYS B 103 15.456 7.438 11.948 1.00 0.00 C ATOM 1663 CG LYS B 103 14.785 6.641 13.061 1.00 0.00 C ATOM 1664 CD LYS B 103 14.123 5.375 12.544 1.00 0.00 C ATOM 1665 CE LYS B 103 13.367 4.647 13.644 1.00 0.00 C ATOM 1666 NZ LYS B 103 14.248 4.291 14.786 1.00 0.00 N ATOM 0 H LYS B 103 14.850 6.216 9.837 1.00 0.00 H new ATOM 0 HA LYS B 103 13.534 8.227 11.386 1.00 0.00 H new ATOM 0 HB2 LYS B 103 16.187 6.802 11.449 1.00 0.00 H new ATOM 0 HB3 LYS B 103 16.006 8.269 12.391 1.00 0.00 H new ATOM 0 HG2 LYS B 103 15.527 6.379 13.815 1.00 0.00 H new ATOM 0 HG3 LYS B 103 14.038 7.265 13.552 1.00 0.00 H new ATOM 0 HD2 LYS B 103 13.436 5.627 11.736 1.00 0.00 H new ATOM 0 HD3 LYS B 103 14.881 4.714 12.124 1.00 0.00 H new ATOM 0 HE2 LYS B 103 12.550 5.275 13.999 1.00 0.00 H new ATOM 0 HE3 LYS B 103 12.918 3.741 13.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 13.739 3.654 15.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 15.102 3.815 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 14.521 5.155 15.296 1.00 0.00 H new ATOM 1680 N ASN B 104 15.644 9.185 9.119 1.00 0.00 N ATOM 1681 CA ASN B 104 16.259 10.360 8.498 1.00 0.00 C ATOM 1682 C ASN B 104 15.452 10.889 7.314 1.00 0.00 C ATOM 1683 O ASN B 104 15.789 11.930 6.744 1.00 0.00 O ATOM 1684 CB ASN B 104 17.690 10.048 8.048 1.00 0.00 C ATOM 1685 CG ASN B 104 18.657 9.954 9.211 1.00 0.00 C ATOM 1686 OD1 ASN B 104 19.248 10.951 9.624 1.00 0.00 O ATOM 1687 ND2 ASN B 104 18.835 8.756 9.741 1.00 0.00 N ATOM 0 H ASN B 104 15.722 8.324 8.578 1.00 0.00 H new ATOM 0 HA ASN B 104 16.276 11.139 9.260 1.00 0.00 H new ATOM 0 HB2 ASN B 104 17.697 9.108 7.497 1.00 0.00 H new ATOM 0 HB3 ASN B 104 18.028 10.823 7.360 1.00 0.00 H new ATOM 0 HD21 ASN B 104 19.481 8.634 10.521 1.00 0.00 H new ATOM 0 HD22 ASN B 104 18.326 7.954 9.370 1.00 0.00 H new ATOM 1694 N ILE B 105 14.390 10.192 6.944 1.00 0.00 N ATOM 1695 CA ILE B 105 13.588 10.594 5.797 1.00 0.00 C ATOM 1696 C ILE B 105 12.359 11.381 6.232 1.00 0.00 C ATOM 1697 O ILE B 105 11.805 11.163 7.311 1.00 0.00 O ATOM 1698 CB ILE B 105 13.161 9.383 4.938 1.00 0.00 C ATOM 1699 CG1 ILE B 105 12.498 9.831 3.633 1.00 0.00 C ATOM 1700 CG2 ILE B 105 12.226 8.473 5.714 1.00 0.00 C ATOM 1701 CD1 ILE B 105 13.432 10.569 2.700 1.00 0.00 C ATOM 0 H ILE B 105 14.063 9.350 7.417 1.00 0.00 H new ATOM 0 HA ILE B 105 14.219 11.238 5.184 1.00 0.00 H new ATOM 0 HB ILE B 105 14.064 8.826 4.687 1.00 0.00 H new ATOM 0 HG12 ILE B 105 12.101 8.956 3.118 1.00 0.00 H new ATOM 0 HG13 ILE B 105 11.650 10.474 3.868 1.00 0.00 H new ATOM 0 HG21 ILE B 105 11.939 7.628 5.089 1.00 0.00 H new ATOM 0 HG22 ILE B 105 12.732 8.108 6.608 1.00 0.00 H new ATOM 0 HG23 ILE B 105 11.334 9.029 6.004 1.00 0.00 H new ATOM 0 HD11 ILE B 105 12.893 10.855 1.797 1.00 0.00 H new ATOM 0 HD12 ILE B 105 13.810 11.463 3.196 1.00 0.00 H new ATOM 0 HD13 ILE B 105 14.267 9.921 2.434 1.00 0.00 H new ATOM 1713 N THR B 106 11.951 12.293 5.371 1.00 0.00 N ATOM 1714 CA THR B 106 10.845 13.189 5.642 1.00 0.00 C ATOM 1715 C THR B 106 9.509 12.432 5.728 1.00 0.00 C ATOM 1716 O THR B 106 8.644 12.769 6.535 1.00 0.00 O ATOM 1717 CB THR B 106 10.798 14.283 4.549 1.00 0.00 C ATOM 1718 OG1 THR B 106 10.050 15.421 4.997 1.00 0.00 O ATOM 1719 CG2 THR B 106 10.195 13.763 3.248 1.00 0.00 C ATOM 0 H THR B 106 12.381 12.434 4.457 1.00 0.00 H new ATOM 0 HA THR B 106 11.002 13.657 6.614 1.00 0.00 H new ATOM 0 HB THR B 106 11.829 14.579 4.356 1.00 0.00 H new ATOM 0 HG1 THR B 106 10.034 16.101 4.291 1.00 0.00 H new ATOM 0 HG21 THR B 106 10.181 14.563 2.508 1.00 0.00 H new ATOM 0 HG22 THR B 106 10.796 12.934 2.874 1.00 0.00 H new ATOM 0 HG23 THR B 106 9.177 13.420 3.431 1.00 0.00 H new ATOM 1727 N ALA B 107 9.357 11.395 4.910 1.00 0.00 N ATOM 1728 CA ALA B 107 8.128 10.616 4.882 1.00 0.00 C ATOM 1729 C ALA B 107 8.372 9.213 5.397 1.00 0.00 C ATOM 1730 O ALA B 107 9.286 8.534 4.934 1.00 0.00 O ATOM 1731 CB ALA B 107 7.574 10.547 3.470 1.00 0.00 C ATOM 0 H ALA B 107 10.073 11.076 4.257 1.00 0.00 H new ATOM 0 HA ALA B 107 7.403 11.110 5.528 1.00 0.00 H new ATOM 0 HB1 ALA B 107 6.655 9.961 3.468 1.00 0.00 H new ATOM 0 HB2 ALA B 107 7.362 11.555 3.113 1.00 0.00 H new ATOM 0 HB3 ALA B 107 8.306 10.076 2.814 1.00 0.00 H new ATOM 1737 N LYS B 108 7.552 8.766 6.337 1.00 0.00 N ATOM 1738 CA LYS B 108 7.674 7.408 6.841 1.00 0.00 C ATOM 1739 C LYS B 108 7.070 6.445 5.832 1.00 0.00 C ATOM 1740 O LYS B 108 5.851 6.300 5.739 1.00 0.00 O ATOM 1741 CB LYS B 108 6.994 7.249 8.209 1.00 0.00 C ATOM 1742 CG LYS B 108 7.777 7.828 9.391 1.00 0.00 C ATOM 1743 CD LYS B 108 7.904 9.343 9.321 1.00 0.00 C ATOM 1744 CE LYS B 108 9.237 9.778 8.727 1.00 0.00 C ATOM 1745 NZ LYS B 108 10.300 9.916 9.758 1.00 0.00 N ATOM 0 H LYS B 108 6.805 9.316 6.761 1.00 0.00 H new ATOM 0 HA LYS B 108 8.732 7.182 6.978 1.00 0.00 H new ATOM 0 HB2 LYS B 108 6.016 7.729 8.170 1.00 0.00 H new ATOM 0 HB3 LYS B 108 6.821 6.188 8.391 1.00 0.00 H new ATOM 0 HG2 LYS B 108 7.281 7.551 10.321 1.00 0.00 H new ATOM 0 HG3 LYS B 108 8.772 7.384 9.416 1.00 0.00 H new ATOM 0 HD2 LYS B 108 7.090 9.747 8.719 1.00 0.00 H new ATOM 0 HD3 LYS B 108 7.799 9.762 10.322 1.00 0.00 H new ATOM 0 HE2 LYS B 108 9.553 9.051 7.979 1.00 0.00 H new ATOM 0 HE3 LYS B 108 9.109 10.730 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 10.676 10.885 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 9.901 9.716 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 11.068 9.244 9.557 1.00 0.00 H new ATOM 1759 N ARG B 109 7.936 5.806 5.065 1.00 0.00 N ATOM 1760 CA ARG B 109 7.510 4.929 3.994 1.00 0.00 C ATOM 1761 C ARG B 109 7.798 3.491 4.374 1.00 0.00 C ATOM 1762 O ARG B 109 8.930 3.151 4.697 1.00 0.00 O ATOM 1763 CB ARG B 109 8.237 5.300 2.694 1.00 0.00 C ATOM 1764 CG ARG B 109 8.088 6.768 2.325 1.00 0.00 C ATOM 1765 CD ARG B 109 8.959 7.156 1.139 1.00 0.00 C ATOM 1766 NE ARG B 109 8.989 8.616 0.960 1.00 0.00 N ATOM 1767 CZ ARG B 109 10.087 9.335 0.693 1.00 0.00 C ATOM 1768 NH1 ARG B 109 11.258 8.736 0.511 1.00 0.00 N ATOM 1769 NH2 ARG B 109 10.003 10.661 0.600 1.00 0.00 N ATOM 0 H ARG B 109 8.948 5.881 5.168 1.00 0.00 H new ATOM 0 HA ARG B 109 6.438 5.043 3.834 1.00 0.00 H new ATOM 0 HB2 ARG B 109 9.296 5.063 2.797 1.00 0.00 H new ATOM 0 HB3 ARG B 109 7.850 4.686 1.881 1.00 0.00 H new ATOM 0 HG2 ARG B 109 7.044 6.977 2.091 1.00 0.00 H new ATOM 0 HG3 ARG B 109 8.352 7.385 3.184 1.00 0.00 H new ATOM 0 HD2 ARG B 109 9.972 6.784 1.291 1.00 0.00 H new ATOM 0 HD3 ARG B 109 8.578 6.683 0.234 1.00 0.00 H new ATOM 0 HE ARG B 109 8.106 9.119 1.046 1.00 0.00 H new ATOM 0 HH11 ARG B 109 11.327 7.720 0.574 1.00 0.00 H new ATOM 0 HH12 ARG B 109 12.089 9.292 0.308 1.00 0.00 H new ATOM 0 HH21 ARG B 109 9.105 11.126 0.732 1.00 0.00 H new ATOM 0 HH22 ARG B 109 10.837 11.212 0.397 1.00 0.00 H new ATOM 1783 N SER B 110 6.764 2.665 4.343 1.00 0.00 N ATOM 1784 CA SER B 110 6.864 1.268 4.735 1.00 0.00 C ATOM 1785 C SER B 110 7.943 0.535 3.933 1.00 0.00 C ATOM 1786 O SER B 110 8.281 0.926 2.813 1.00 0.00 O ATOM 1787 CB SER B 110 5.511 0.601 4.519 1.00 0.00 C ATOM 1788 OG SER B 110 4.458 1.492 4.849 1.00 0.00 O ATOM 0 H SER B 110 5.830 2.945 4.045 1.00 0.00 H new ATOM 0 HA SER B 110 7.147 1.218 5.786 1.00 0.00 H new ATOM 0 HB2 SER B 110 5.416 0.286 3.480 1.00 0.00 H new ATOM 0 HB3 SER B 110 5.440 -0.298 5.132 1.00 0.00 H new ATOM 0 HG SER B 110 3.596 1.049 4.703 1.00 0.00 H new ATOM 1794 N ARG B 111 8.461 -0.538 4.509 1.00 0.00 N ATOM 1795 CA ARG B 111 9.560 -1.289 3.915 1.00 0.00 C ATOM 1796 C ARG B 111 9.231 -1.762 2.503 1.00 0.00 C ATOM 1797 O ARG B 111 10.024 -1.574 1.582 1.00 0.00 O ATOM 1798 CB ARG B 111 9.907 -2.483 4.802 1.00 0.00 C ATOM 1799 CG ARG B 111 10.458 -2.079 6.158 1.00 0.00 C ATOM 1800 CD ARG B 111 11.848 -1.488 6.033 1.00 0.00 C ATOM 1801 NE ARG B 111 12.361 -1.025 7.316 1.00 0.00 N ATOM 1802 CZ ARG B 111 13.523 -1.407 7.835 1.00 0.00 C ATOM 1803 NH1 ARG B 111 14.298 -2.269 7.184 1.00 0.00 N ATOM 1804 NH2 ARG B 111 13.909 -0.936 9.011 1.00 0.00 N ATOM 0 H ARG B 111 8.134 -0.914 5.399 1.00 0.00 H new ATOM 0 HA ARG B 111 10.419 -0.622 3.843 1.00 0.00 H new ATOM 0 HB2 ARG B 111 9.015 -3.092 4.946 1.00 0.00 H new ATOM 0 HB3 ARG B 111 10.640 -3.107 4.290 1.00 0.00 H new ATOM 0 HG2 ARG B 111 9.792 -1.352 6.622 1.00 0.00 H new ATOM 0 HG3 ARG B 111 10.488 -2.948 6.815 1.00 0.00 H new ATOM 0 HD2 ARG B 111 12.525 -2.237 5.621 1.00 0.00 H new ATOM 0 HD3 ARG B 111 11.826 -0.656 5.329 1.00 0.00 H new ATOM 0 HE ARG B 111 11.793 -0.367 7.849 1.00 0.00 H new ATOM 0 HH11 ARG B 111 14.002 -2.640 6.281 1.00 0.00 H new ATOM 0 HH12 ARG B 111 15.189 -2.559 7.587 1.00 0.00 H new ATOM 0 HH21 ARG B 111 13.314 -0.280 9.518 1.00 0.00 H new ATOM 0 HH22 ARG B 111 14.801 -1.229 9.410 1.00 0.00 H new ATOM 1818 N ALA B 112 8.049 -2.341 2.334 1.00 0.00 N ATOM 1819 CA ALA B 112 7.659 -2.929 1.060 1.00 0.00 C ATOM 1820 C ALA B 112 7.624 -1.899 -0.069 1.00 0.00 C ATOM 1821 O ALA B 112 7.852 -2.234 -1.232 1.00 0.00 O ATOM 1822 CB ALA B 112 6.312 -3.619 1.195 1.00 0.00 C ATOM 0 H ALA B 112 7.342 -2.416 3.066 1.00 0.00 H new ATOM 0 HA ALA B 112 8.417 -3.666 0.794 1.00 0.00 H new ATOM 0 HB1 ALA B 112 6.029 -4.055 0.237 1.00 0.00 H new ATOM 0 HB2 ALA B 112 6.380 -4.406 1.946 1.00 0.00 H new ATOM 0 HB3 ALA B 112 5.559 -2.891 1.499 1.00 0.00 H new ATOM 1828 N ARG B 113 7.347 -0.644 0.260 1.00 0.00 N ATOM 1829 CA ARG B 113 7.274 0.384 -0.769 1.00 0.00 C ATOM 1830 C ARG B 113 8.650 0.983 -1.043 1.00 0.00 C ATOM 1831 O ARG B 113 8.921 1.426 -2.155 1.00 0.00 O ATOM 1832 CB ARG B 113 6.243 1.462 -0.414 1.00 0.00 C ATOM 1833 CG ARG B 113 6.544 2.218 0.861 1.00 0.00 C ATOM 1834 CD ARG B 113 5.365 3.070 1.301 1.00 0.00 C ATOM 1835 NE ARG B 113 4.199 2.258 1.645 1.00 0.00 N ATOM 1836 CZ ARG B 113 2.944 2.712 1.660 1.00 0.00 C ATOM 1837 NH1 ARG B 113 2.679 3.971 1.327 1.00 0.00 N ATOM 1838 NH2 ARG B 113 1.953 1.904 2.011 1.00 0.00 N ATOM 0 H ARG B 113 7.172 -0.318 1.211 1.00 0.00 H new ATOM 0 HA ARG B 113 6.934 -0.089 -1.690 1.00 0.00 H new ATOM 0 HB2 ARG B 113 6.181 2.173 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG B 113 5.263 0.994 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG B 113 6.798 1.512 1.652 1.00 0.00 H new ATOM 0 HG3 ARG B 113 7.416 2.854 0.710 1.00 0.00 H new ATOM 0 HD2 ARG B 113 5.654 3.672 2.163 1.00 0.00 H new ATOM 0 HD3 ARG B 113 5.101 3.763 0.502 1.00 0.00 H new ATOM 0 HE ARG B 113 4.355 1.280 1.890 1.00 0.00 H new ATOM 0 HH11 ARG B 113 3.437 4.598 1.058 1.00 0.00 H new ATOM 0 HH12 ARG B 113 1.717 4.311 1.341 1.00 0.00 H new ATOM 0 HH21 ARG B 113 2.150 0.937 2.269 1.00 0.00 H new ATOM 0 HH22 ARG B 113 0.993 2.249 2.023 1.00 0.00 H new ATOM 1852 N ILE B 114 9.516 0.990 -0.034 1.00 0.00 N ATOM 1853 CA ILE B 114 10.900 1.405 -0.230 1.00 0.00 C ATOM 1854 C ILE B 114 11.656 0.384 -1.075 1.00 0.00 C ATOM 1855 O ILE B 114 12.226 0.723 -2.112 1.00 0.00 O ATOM 1856 CB ILE B 114 11.654 1.581 1.105 1.00 0.00 C ATOM 1857 CG1 ILE B 114 10.989 2.662 1.956 1.00 0.00 C ATOM 1858 CG2 ILE B 114 13.119 1.924 0.849 1.00 0.00 C ATOM 1859 CD1 ILE B 114 11.690 2.914 3.278 1.00 0.00 C ATOM 0 H ILE B 114 9.286 0.715 0.921 1.00 0.00 H new ATOM 0 HA ILE B 114 10.860 2.367 -0.741 1.00 0.00 H new ATOM 0 HB ILE B 114 11.612 0.639 1.653 1.00 0.00 H new ATOM 0 HG12 ILE B 114 10.959 3.592 1.388 1.00 0.00 H new ATOM 0 HG13 ILE B 114 9.956 2.374 2.152 1.00 0.00 H new ATOM 0 HG21 ILE B 114 13.636 2.045 1.801 1.00 0.00 H new ATOM 0 HG22 ILE B 114 13.587 1.120 0.281 1.00 0.00 H new ATOM 0 HG23 ILE B 114 13.182 2.853 0.282 1.00 0.00 H new ATOM 0 HD11 ILE B 114 11.162 3.693 3.827 1.00 0.00 H new ATOM 0 HD12 ILE B 114 11.697 1.997 3.867 1.00 0.00 H new ATOM 0 HD13 ILE B 114 12.715 3.233 3.091 1.00 0.00 H new ATOM 1871 N VAL B 115 11.642 -0.869 -0.627 1.00 0.00 N ATOM 1872 CA VAL B 115 12.430 -1.921 -1.262 1.00 0.00 C ATOM 1873 C VAL B 115 12.042 -2.117 -2.724 1.00 0.00 C ATOM 1874 O VAL B 115 12.901 -2.361 -3.568 1.00 0.00 O ATOM 1875 CB VAL B 115 12.322 -3.269 -0.509 1.00 0.00 C ATOM 1876 CG1 VAL B 115 12.885 -3.147 0.899 1.00 0.00 C ATOM 1877 CG2 VAL B 115 10.886 -3.766 -0.461 1.00 0.00 C ATOM 0 H VAL B 115 11.093 -1.180 0.174 1.00 0.00 H new ATOM 0 HA VAL B 115 13.466 -1.587 -1.218 1.00 0.00 H new ATOM 0 HB VAL B 115 12.913 -4.000 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL B 115 12.799 -4.106 1.410 1.00 0.00 H new ATOM 0 HG12 VAL B 115 13.934 -2.856 0.847 1.00 0.00 H new ATOM 0 HG13 VAL B 115 12.326 -2.391 1.450 1.00 0.00 H new ATOM 0 HG21 VAL B 115 10.847 -4.714 0.075 1.00 0.00 H new ATOM 0 HG22 VAL B 115 10.264 -3.033 0.053 1.00 0.00 H new ATOM 0 HG23 VAL B 115 10.516 -3.907 -1.476 1.00 0.00 H new ATOM 1887 N ASP B 116 10.756 -1.988 -3.030 1.00 0.00 N ATOM 1888 CA ASP B 116 10.297 -2.144 -4.404 1.00 0.00 C ATOM 1889 C ASP B 116 10.702 -0.934 -5.241 1.00 0.00 C ATOM 1890 O ASP B 116 10.982 -1.058 -6.434 1.00 0.00 O ATOM 1891 CB ASP B 116 8.782 -2.343 -4.447 1.00 0.00 C ATOM 1892 CG ASP B 116 8.272 -2.626 -5.848 1.00 0.00 C ATOM 1893 OD1 ASP B 116 8.626 -3.685 -6.412 1.00 0.00 O ATOM 1894 OD2 ASP B 116 7.489 -1.807 -6.378 1.00 0.00 O ATOM 0 H ASP B 116 10.021 -1.778 -2.354 1.00 0.00 H new ATOM 0 HA ASP B 116 10.770 -3.031 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP B 116 8.509 -3.169 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP B 116 8.291 -1.451 -4.058 1.00 0.00 H new ATOM 1899 N LYS B 117 10.776 0.231 -4.599 1.00 0.00 N ATOM 1900 CA LYS B 117 11.153 1.456 -5.290 1.00 0.00 C ATOM 1901 C LYS B 117 12.621 1.392 -5.718 1.00 0.00 C ATOM 1902 O LYS B 117 12.985 1.858 -6.796 1.00 0.00 O ATOM 1903 CB LYS B 117 10.909 2.679 -4.400 1.00 0.00 C ATOM 1904 CG LYS B 117 11.003 4.000 -5.147 1.00 0.00 C ATOM 1905 CD LYS B 117 9.871 4.159 -6.157 1.00 0.00 C ATOM 1906 CE LYS B 117 10.114 5.340 -7.085 1.00 0.00 C ATOM 1907 NZ LYS B 117 9.076 5.446 -8.144 1.00 0.00 N ATOM 0 H LYS B 117 10.580 0.349 -3.605 1.00 0.00 H new ATOM 0 HA LYS B 117 10.532 1.553 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS B 117 9.922 2.597 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS B 117 11.635 2.678 -3.587 1.00 0.00 H new ATOM 0 HG2 LYS B 117 10.973 4.824 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS B 117 11.962 4.059 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS B 117 9.776 3.246 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.928 4.298 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS B 117 10.131 6.261 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS B 117 11.095 5.239 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 9.282 6.264 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 9.076 4.579 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 8.142 5.569 -7.704 1.00 0.00 H new ATOM 1921 N LEU B 118 13.455 0.796 -4.873 1.00 0.00 N ATOM 1922 CA LEU B 118 14.868 0.607 -5.191 1.00 0.00 C ATOM 1923 C LEU B 118 15.046 -0.240 -6.442 1.00 0.00 C ATOM 1924 O LEU B 118 15.880 0.062 -7.297 1.00 0.00 O ATOM 1925 CB LEU B 118 15.596 -0.066 -4.034 1.00 0.00 C ATOM 1926 CG LEU B 118 16.304 0.873 -3.063 1.00 0.00 C ATOM 1927 CD1 LEU B 118 15.306 1.720 -2.294 1.00 0.00 C ATOM 1928 CD2 LEU B 118 17.173 0.068 -2.120 1.00 0.00 C ATOM 0 H LEU B 118 13.177 0.434 -3.961 1.00 0.00 H new ATOM 0 HA LEU B 118 15.292 1.596 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU B 118 14.876 -0.663 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU B 118 16.332 -0.757 -4.445 1.00 0.00 H new ATOM 0 HG LEU B 118 16.937 1.554 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU B 118 15.840 2.380 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU B 118 14.722 2.318 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU B 118 14.639 1.071 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU B 118 17.678 0.741 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU B 118 16.552 -0.631 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU B 118 17.916 -0.486 -2.694 1.00 0.00 H new ATOM 1940 N LEU B 119 14.263 -1.304 -6.536 1.00 0.00 N ATOM 1941 CA LEU B 119 14.311 -2.198 -7.688 1.00 0.00 C ATOM 1942 C LEU B 119 13.809 -1.486 -8.932 1.00 0.00 C ATOM 1943 O LEU B 119 14.210 -1.796 -10.054 1.00 0.00 O ATOM 1944 CB LEU B 119 13.460 -3.441 -7.428 1.00 0.00 C ATOM 1945 CG LEU B 119 14.151 -4.575 -6.652 1.00 0.00 C ATOM 1946 CD1 LEU B 119 15.262 -5.180 -7.493 1.00 0.00 C ATOM 1947 CD2 LEU B 119 14.707 -4.091 -5.316 1.00 0.00 C ATOM 0 H LEU B 119 13.582 -1.572 -5.825 1.00 0.00 H new ATOM 0 HA LEU B 119 15.346 -2.500 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU B 119 12.569 -3.140 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU B 119 13.124 -3.835 -8.387 1.00 0.00 H new ATOM 0 HG LEU B 119 13.401 -5.337 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU B 119 15.745 -5.982 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU B 119 14.843 -5.581 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU B 119 15.997 -4.411 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU B 119 15.187 -4.922 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU B 119 15.438 -3.302 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU B 119 13.894 -3.703 -4.703 1.00 0.00 H new ATOM 1959 N ALA B 120 12.938 -0.522 -8.713 1.00 0.00 N ATOM 1960 CA ALA B 120 12.363 0.256 -9.792 1.00 0.00 C ATOM 1961 C ALA B 120 13.381 1.254 -10.338 1.00 0.00 C ATOM 1962 O ALA B 120 13.507 1.431 -11.551 1.00 0.00 O ATOM 1963 CB ALA B 120 11.111 0.949 -9.295 1.00 0.00 C ATOM 0 H ALA B 120 12.609 -0.256 -7.785 1.00 0.00 H new ATOM 0 HA ALA B 120 12.090 -0.405 -10.615 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.675 1.536 -10.103 1.00 0.00 H new ATOM 0 HB2 ALA B 120 10.391 0.203 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA B 120 11.365 1.608 -8.465 1.00 0.00 H new ATOM 1969 N LEU B 121 14.114 1.892 -9.429 1.00 0.00 N ATOM 1970 CA LEU B 121 15.217 2.773 -9.802 1.00 0.00 C ATOM 1971 C LEU B 121 16.372 1.976 -10.389 1.00 0.00 C ATOM 1972 O LEU B 121 17.174 2.500 -11.164 1.00 0.00 O ATOM 1973 CB LEU B 121 15.732 3.532 -8.580 1.00 0.00 C ATOM 1974 CG LEU B 121 15.033 4.849 -8.247 1.00 0.00 C ATOM 1975 CD1 LEU B 121 13.543 4.653 -8.039 1.00 0.00 C ATOM 1976 CD2 LEU B 121 15.671 5.461 -7.010 1.00 0.00 C ATOM 0 H LEU B 121 13.963 1.814 -8.423 1.00 0.00 H new ATOM 0 HA LEU B 121 14.838 3.474 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU B 121 15.653 2.876 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU B 121 16.792 3.737 -8.729 1.00 0.00 H new ATOM 0 HG LEU B 121 15.154 5.528 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU B 121 13.079 5.611 -7.804 1.00 0.00 H new ATOM 0 HD12 LEU B 121 13.099 4.248 -8.948 1.00 0.00 H new ATOM 0 HD13 LEU B 121 13.379 3.959 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU B 121 15.173 6.401 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU B 121 15.570 4.773 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU B 121 16.728 5.648 -7.200 1.00 0.00 H new ATOM 1988 N GLY B 122 16.448 0.709 -10.022 1.00 0.00 N ATOM 1989 CA GLY B 122 17.580 -0.098 -10.409 1.00 0.00 C ATOM 1990 C GLY B 122 18.782 0.203 -9.540 1.00 0.00 C ATOM 1991 O GLY B 122 19.915 0.212 -10.015 1.00 0.00 O ATOM 0 H GLY B 122 15.745 0.225 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY B 122 17.323 -1.154 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY B 122 17.826 0.091 -11.454 1.00 0.00 H new ATOM 1995 N LEU B 123 18.525 0.490 -8.266 1.00 0.00 N ATOM 1996 CA LEU B 123 19.589 0.786 -7.316 1.00 0.00 C ATOM 1997 C LEU B 123 20.236 -0.499 -6.847 1.00 0.00 C ATOM 1998 O LEU B 123 21.423 -0.537 -6.533 1.00 0.00 O ATOM 1999 CB LEU B 123 19.041 1.561 -6.115 1.00 0.00 C ATOM 2000 CG LEU B 123 18.622 3.004 -6.397 1.00 0.00 C ATOM 2001 CD1 LEU B 123 18.102 3.658 -5.128 1.00 0.00 C ATOM 2002 CD2 LEU B 123 19.787 3.801 -6.968 1.00 0.00 C ATOM 0 H LEU B 123 17.586 0.523 -7.869 1.00 0.00 H new ATOM 0 HA LEU B 123 20.336 1.403 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU B 123 18.180 1.022 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.800 1.568 -5.333 1.00 0.00 H new ATOM 0 HG LEU B 123 17.822 2.993 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU B 123 17.807 4.685 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU B 123 17.240 3.102 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU B 123 18.886 3.656 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU B 123 19.467 4.825 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU B 123 20.609 3.807 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU B 123 20.120 3.343 -7.899 1.00 0.00 H new ATOM 2014 N VAL B 124 19.439 -1.551 -6.806 1.00 0.00 N ATOM 2015 CA VAL B 124 19.915 -2.849 -6.354 1.00 0.00 C ATOM 2016 C VAL B 124 19.465 -3.965 -7.279 1.00 0.00 C ATOM 2017 O VAL B 124 18.603 -3.779 -8.140 1.00 0.00 O ATOM 2018 CB VAL B 124 19.429 -3.168 -4.929 1.00 0.00 C ATOM 2019 CG1 VAL B 124 20.058 -2.223 -3.920 1.00 0.00 C ATOM 2020 CG2 VAL B 124 17.913 -3.106 -4.860 1.00 0.00 C ATOM 0 H VAL B 124 18.457 -1.534 -7.080 1.00 0.00 H new ATOM 0 HA VAL B 124 21.003 -2.791 -6.361 1.00 0.00 H new ATOM 0 HB VAL B 124 19.741 -4.182 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL B 124 19.700 -2.468 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL B 124 21.143 -2.326 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL B 124 19.784 -1.196 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL B 124 17.585 -3.334 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL B 124 17.577 -2.106 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL B 124 17.487 -3.834 -5.551 1.00 0.00 H new ATOM 2030 N ALA B 125 20.056 -5.127 -7.074 1.00 0.00 N ATOM 2031 CA ALA B 125 19.713 -6.319 -7.831 1.00 0.00 C ATOM 2032 C ALA B 125 18.479 -6.973 -7.250 1.00 0.00 C ATOM 2033 O ALA B 125 17.672 -7.574 -7.960 1.00 0.00 O ATOM 2034 CB ALA B 125 20.864 -7.305 -7.786 1.00 0.00 C ATOM 0 H ALA B 125 20.788 -5.273 -6.378 1.00 0.00 H new ATOM 0 HA ALA B 125 19.515 -6.029 -8.863 1.00 0.00 H new ATOM 0 HB1 ALA B 125 20.602 -8.197 -8.355 1.00 0.00 H new ATOM 0 HB2 ALA B 125 21.753 -6.847 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA B 125 21.066 -7.581 -6.751 1.00 0.00 H new ATOM 2040 N GLU B 126 18.353 -6.838 -5.945 1.00 0.00 N ATOM 2041 CA GLU B 126 17.339 -7.525 -5.179 1.00 0.00 C ATOM 2042 C GLU B 126 17.313 -6.949 -3.777 1.00 0.00 C ATOM 2043 O GLU B 126 18.129 -6.085 -3.456 1.00 0.00 O ATOM 2044 CB GLU B 126 17.658 -9.017 -5.138 1.00 0.00 C ATOM 2045 CG GLU B 126 19.112 -9.304 -4.799 1.00 0.00 C ATOM 2046 CD GLU B 126 19.415 -10.787 -4.763 1.00 0.00 C ATOM 2047 OE1 GLU B 126 20.030 -11.298 -5.721 1.00 0.00 O ATOM 2048 OE2 GLU B 126 19.020 -11.454 -3.782 1.00 0.00 O ATOM 0 H GLU B 126 18.960 -6.241 -5.383 1.00 0.00 H new ATOM 0 HA GLU B 126 16.361 -7.391 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU B 126 17.017 -9.500 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU B 126 17.422 -9.460 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU B 126 19.756 -8.822 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU B 126 19.350 -8.864 -3.831 1.00 0.00 H new ATOM 2055 N ARG B 127 16.408 -7.434 -2.938 1.00 0.00 N ATOM 2056 CA ARG B 127 16.297 -6.936 -1.569 1.00 0.00 C ATOM 2057 C ARG B 127 17.546 -7.274 -0.760 1.00 0.00 C ATOM 2058 O ARG B 127 17.850 -6.620 0.231 1.00 0.00 O ATOM 2059 CB ARG B 127 15.053 -7.493 -0.869 1.00 0.00 C ATOM 2060 CG ARG B 127 13.761 -6.765 -1.217 1.00 0.00 C ATOM 2061 CD ARG B 127 13.292 -7.050 -2.635 1.00 0.00 C ATOM 2062 NE ARG B 127 11.972 -6.474 -2.895 1.00 0.00 N ATOM 2063 CZ ARG B 127 11.443 -6.310 -4.110 1.00 0.00 C ATOM 2064 NH1 ARG B 127 12.103 -6.706 -5.195 1.00 0.00 N ATOM 2065 NH2 ARG B 127 10.237 -5.770 -4.239 1.00 0.00 N ATOM 0 H ARG B 127 15.742 -8.168 -3.177 1.00 0.00 H new ATOM 0 HA ARG B 127 16.200 -5.852 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG B 127 14.945 -8.546 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG B 127 15.205 -7.445 0.209 1.00 0.00 H new ATOM 0 HG2 ARG B 127 12.982 -7.060 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG B 127 13.909 -5.692 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG B 127 14.012 -6.644 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG B 127 13.257 -8.127 -2.797 1.00 0.00 H new ATOM 0 HE ARG B 127 11.417 -6.177 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG B 127 13.022 -7.139 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG B 127 11.690 -6.576 -6.119 1.00 0.00 H new ATOM 0 HH21 ARG B 127 9.716 -5.481 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG B 127 9.831 -5.644 -5.166 1.00 0.00 H new ATOM 2079 N ARG B 128 18.271 -8.287 -1.205 1.00 0.00 N ATOM 2080 CA ARG B 128 19.482 -8.742 -0.530 1.00 0.00 C ATOM 2081 C ARG B 128 20.526 -7.632 -0.431 1.00 0.00 C ATOM 2082 O ARG B 128 21.191 -7.479 0.592 1.00 0.00 O ATOM 2083 CB ARG B 128 20.068 -9.921 -1.299 1.00 0.00 C ATOM 2084 CG ARG B 128 21.357 -10.468 -0.717 1.00 0.00 C ATOM 2085 CD ARG B 128 22.046 -11.417 -1.687 1.00 0.00 C ATOM 2086 NE ARG B 128 21.107 -12.362 -2.304 1.00 0.00 N ATOM 2087 CZ ARG B 128 21.271 -13.683 -2.331 1.00 0.00 C ATOM 2088 NH1 ARG B 128 22.315 -14.245 -1.733 1.00 0.00 N ATOM 2089 NH2 ARG B 128 20.381 -14.445 -2.955 1.00 0.00 N ATOM 0 H ARG B 128 18.039 -8.819 -2.044 1.00 0.00 H new ATOM 0 HA ARG B 128 19.214 -9.040 0.484 1.00 0.00 H new ATOM 0 HB2 ARG B 128 19.329 -10.722 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG B 128 20.250 -9.614 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG B 128 22.027 -9.643 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG B 128 21.144 -10.990 0.216 1.00 0.00 H new ATOM 0 HD2 ARG B 128 22.541 -10.839 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG B 128 22.822 -11.972 -1.160 1.00 0.00 H new ATOM 0 HE ARG B 128 20.270 -11.979 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG B 128 22.999 -13.664 -1.248 1.00 0.00 H new ATOM 0 HH12 ARG B 128 22.433 -15.258 -1.758 1.00 0.00 H new ATOM 0 HH21 ARG B 128 19.575 -14.018 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG B 128 20.503 -15.457 -2.978 1.00 0.00 H new ATOM 2103 N GLU B 129 20.636 -6.842 -1.490 1.00 0.00 N ATOM 2104 CA GLU B 129 21.722 -5.875 -1.626 1.00 0.00 C ATOM 2105 C GLU B 129 21.565 -4.685 -0.678 1.00 0.00 C ATOM 2106 O GLU B 129 22.475 -3.860 -0.554 1.00 0.00 O ATOM 2107 CB GLU B 129 21.795 -5.380 -3.069 1.00 0.00 C ATOM 2108 CG GLU B 129 21.823 -6.500 -4.098 1.00 0.00 C ATOM 2109 CD GLU B 129 23.018 -7.418 -3.933 1.00 0.00 C ATOM 2110 OE1 GLU B 129 24.064 -7.152 -4.559 1.00 0.00 O ATOM 2111 OE2 GLU B 129 22.911 -8.407 -3.183 1.00 0.00 O ATOM 0 H GLU B 129 19.983 -6.851 -2.273 1.00 0.00 H new ATOM 0 HA GLU B 129 22.647 -6.385 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU B 129 20.937 -4.737 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU B 129 22.688 -4.766 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU B 129 20.907 -7.085 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU B 129 21.838 -6.068 -5.099 1.00 0.00 H new ATOM 2118 N LEU B 130 20.418 -4.589 -0.017 1.00 0.00 N ATOM 2119 CA LEU B 130 20.171 -3.498 0.919 1.00 0.00 C ATOM 2120 C LEU B 130 20.202 -3.988 2.364 1.00 0.00 C ATOM 2121 O LEU B 130 19.805 -3.269 3.280 1.00 0.00 O ATOM 2122 CB LEU B 130 18.838 -2.786 0.625 1.00 0.00 C ATOM 2123 CG LEU B 130 17.734 -3.639 -0.012 1.00 0.00 C ATOM 2124 CD1 LEU B 130 16.366 -3.100 0.360 1.00 0.00 C ATOM 2125 CD2 LEU B 130 17.880 -3.655 -1.525 1.00 0.00 C ATOM 0 H LEU B 130 19.647 -5.250 -0.111 1.00 0.00 H new ATOM 0 HA LEU B 130 20.976 -2.776 0.783 1.00 0.00 H new ATOM 0 HB2 LEU B 130 18.456 -2.376 1.560 1.00 0.00 H new ATOM 0 HB3 LEU B 130 19.040 -1.942 -0.034 1.00 0.00 H new ATOM 0 HG LEU B 130 17.831 -4.657 0.366 1.00 0.00 H new ATOM 0 HD11 LEU B 130 15.594 -3.717 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU B 130 16.249 -3.121 1.443 1.00 0.00 H new ATOM 0 HD13 LEU B 130 16.270 -2.074 0.005 1.00 0.00 H new ATOM 0 HD21 LEU B 130 17.088 -4.265 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU B 130 17.807 -2.637 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU B 130 18.850 -4.074 -1.793 1.00 0.00 H new ATOM 2137 N TYR B 131 20.681 -5.209 2.567 1.00 0.00 N ATOM 2138 CA TYR B 131 20.849 -5.749 3.910 1.00 0.00 C ATOM 2139 C TYR B 131 22.227 -6.379 4.040 1.00 0.00 C ATOM 2140 O TYR B 131 22.486 -7.439 3.468 1.00 0.00 O ATOM 2141 CB TYR B 131 19.768 -6.788 4.228 1.00 0.00 C ATOM 2142 CG TYR B 131 18.361 -6.245 4.155 1.00 0.00 C ATOM 2143 CD1 TYR B 131 17.907 -5.310 5.073 1.00 0.00 C ATOM 2144 CD2 TYR B 131 17.488 -6.669 3.165 1.00 0.00 C ATOM 2145 CE1 TYR B 131 16.623 -4.812 5.006 1.00 0.00 C ATOM 2146 CE2 TYR B 131 16.202 -6.178 3.089 1.00 0.00 C ATOM 2147 CZ TYR B 131 15.773 -5.245 4.011 1.00 0.00 C ATOM 2148 OH TYR B 131 14.494 -4.742 3.943 1.00 0.00 O ATOM 0 H TYR B 131 20.960 -5.844 1.819 1.00 0.00 H new ATOM 0 HA TYR B 131 20.752 -4.930 4.623 1.00 0.00 H new ATOM 0 HB2 TYR B 131 19.862 -7.622 3.532 1.00 0.00 H new ATOM 0 HB3 TYR B 131 19.943 -7.186 5.228 1.00 0.00 H new ATOM 0 HD1 TYR B 131 18.570 -4.966 5.853 1.00 0.00 H new ATOM 0 HD2 TYR B 131 17.821 -7.397 2.440 1.00 0.00 H new ATOM 0 HE1 TYR B 131 16.285 -4.086 5.730 1.00 0.00 H new ATOM 0 HE2 TYR B 131 15.534 -6.521 2.313 1.00 0.00 H new ATOM 0 HH TYR B 131 14.023 -5.147 3.185 1.00 0.00 H new