USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -4.2! C(o=-4.2!,f=-3.9!) USER MOD Single : B 17 THR OG1 : rot 81:sc= 1.29 USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : B 20 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.039) USER MOD Single : B 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0709) USER MOD Single : B 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00215) USER MOD Single : B 31 TYR OH : rot -167:sc= 0.954 USER MOD Single : B 40 MET CE :methyl -126:sc= -0.442 (180deg=-2.66!) USER MOD Single : B 41 LYS NZ :NH3+ 168:sc=-0.00279 (180deg=-0.15) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= -0.134 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -179:sc= -3.24 (180deg=-3.35) USER MOD Single : B 70 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.1) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0038 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 GLN : amide:sc= 0.329 K(o=0.33,f=-0.34) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.222 -2.382 -18.680 1.00 0.00 N ATOM 112 CA GLY B 8 3.217 -3.139 -19.415 1.00 0.00 C ATOM 113 C GLY B 8 4.396 -3.453 -18.510 1.00 0.00 C ATOM 114 O GLY B 8 5.249 -4.254 -18.887 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.779 -4.064 -19.791 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.553 -2.570 -20.282 1.00 0.00 H new ATOM 118 N LYS B 9 4.460 -2.839 -17.321 1.00 0.00 N ATOM 119 CA LYS B 9 5.525 -3.155 -16.386 1.00 0.00 C ATOM 120 C LYS B 9 5.036 -4.262 -15.475 1.00 0.00 C ATOM 121 O LYS B 9 3.967 -4.158 -14.877 1.00 0.00 O ATOM 122 CB LYS B 9 5.978 -1.928 -15.599 1.00 0.00 C ATOM 123 CG LYS B 9 7.141 -2.354 -14.701 1.00 0.00 C ATOM 124 CD LYS B 9 7.628 -1.203 -13.825 1.00 0.00 C ATOM 125 CE LYS B 9 8.313 -0.131 -14.674 1.00 0.00 C ATOM 126 NZ LYS B 9 8.770 1.000 -13.847 1.00 0.00 N ATOM 0 H LYS B 9 3.797 -2.135 -16.997 1.00 0.00 H new ATOM 0 HA LYS B 9 6.405 -3.492 -16.934 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.289 -1.133 -16.276 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.157 -1.533 -15.000 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.828 -3.185 -14.069 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.964 -2.715 -15.318 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.786 -0.766 -13.288 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.323 -1.579 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.163 -0.568 -15.197 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.621 0.229 -15.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.230 1.709 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.954 1.431 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.449 0.659 -13.137 1.00 0.00 H new ATOM 140 N LEU B 10 5.821 -5.324 -15.370 1.00 0.00 N ATOM 141 CA LEU B 10 5.448 -6.493 -14.605 1.00 0.00 C ATOM 142 C LEU B 10 6.379 -6.633 -13.414 1.00 0.00 C ATOM 143 O LEU B 10 7.551 -6.271 -13.490 1.00 0.00 O ATOM 144 CB LEU B 10 5.540 -7.712 -15.518 1.00 0.00 C ATOM 145 CG LEU B 10 4.525 -7.725 -16.662 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.783 -8.986 -17.484 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.086 -7.784 -16.168 1.00 0.00 C ATOM 0 H LEU B 10 6.736 -5.394 -15.816 1.00 0.00 H new ATOM 0 HA LEU B 10 4.429 -6.402 -14.230 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.544 -7.760 -15.939 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.403 -8.611 -14.917 1.00 0.00 H new ATOM 0 HG LEU B 10 4.646 -6.806 -17.236 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.076 -9.031 -18.312 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.800 -8.963 -17.876 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.657 -9.865 -16.851 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.408 -7.791 -17.022 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.940 -8.691 -15.581 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.878 -6.913 -15.547 1.00 0.00 H new ATOM 159 N PHE B 11 5.848 -7.166 -12.316 1.00 0.00 N ATOM 160 CA PHE B 11 6.604 -7.515 -11.132 1.00 0.00 C ATOM 161 C PHE B 11 6.794 -9.021 -11.147 1.00 0.00 C ATOM 162 O PHE B 11 5.820 -9.759 -11.281 1.00 0.00 O ATOM 163 CB PHE B 11 5.837 -7.082 -9.886 1.00 0.00 C ATOM 164 CG PHE B 11 6.398 -7.703 -8.625 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.609 -7.238 -8.098 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.712 -8.749 -7.990 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.132 -7.819 -6.938 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.242 -9.332 -6.833 1.00 0.00 C ATOM 169 CZ PHE B 11 7.453 -8.865 -6.306 1.00 0.00 C ATOM 0 H PHE B 11 4.852 -7.370 -12.231 1.00 0.00 H new ATOM 0 HA PHE B 11 7.571 -7.013 -11.120 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.870 -5.996 -9.800 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.789 -7.361 -9.991 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.138 -6.433 -8.586 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.775 -9.104 -8.394 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.064 -7.458 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.718 -10.141 -6.347 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.862 -9.313 -5.412 1.00 0.00 H new ATOM 179 N ILE B 12 8.042 -9.474 -11.014 1.00 0.00 N ATOM 180 CA ILE B 12 8.375 -10.879 -11.136 1.00 0.00 C ATOM 181 C ILE B 12 8.953 -11.384 -9.817 1.00 0.00 C ATOM 182 O ILE B 12 10.171 -11.461 -9.672 1.00 0.00 O ATOM 183 CB ILE B 12 9.361 -11.086 -12.296 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.103 -10.224 -13.543 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.329 -12.565 -12.670 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.721 -10.394 -14.173 1.00 0.00 C ATOM 0 H ILE B 12 8.842 -8.872 -10.819 1.00 0.00 H new ATOM 0 HA ILE B 12 7.475 -11.453 -11.356 1.00 0.00 H new ATOM 0 HB ILE B 12 10.340 -10.763 -11.941 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.237 -9.176 -13.275 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.859 -10.461 -14.292 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.020 -12.747 -13.493 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.624 -13.165 -11.809 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.320 -12.841 -12.975 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.636 -9.745 -15.045 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.585 -11.432 -14.478 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.954 -10.127 -13.446 1.00 0.00 H new ATOM 198 N GLY B 13 8.102 -11.725 -8.848 1.00 0.00 N ATOM 199 CA GLY B 13 8.585 -12.125 -7.530 1.00 0.00 C ATOM 200 C GLY B 13 8.657 -13.640 -7.361 1.00 0.00 C ATOM 201 O GLY B 13 7.775 -14.353 -7.825 1.00 0.00 O ATOM 0 H GLY B 13 7.087 -11.732 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.574 -11.698 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.928 -11.710 -6.766 1.00 0.00 H new ATOM 205 N GLY B 14 9.703 -14.132 -6.693 1.00 0.00 N ATOM 206 CA GLY B 14 9.829 -15.535 -6.328 1.00 0.00 C ATOM 207 C GLY B 14 10.891 -16.246 -7.160 1.00 0.00 C ATOM 208 O GLY B 14 11.047 -17.460 -7.055 1.00 0.00 O ATOM 0 H GLY B 14 10.490 -13.559 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.083 -15.614 -5.271 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.869 -16.033 -6.463 1.00 0.00 H new ATOM 212 N LEU B 15 11.620 -15.494 -7.992 1.00 0.00 N ATOM 213 CA LEU B 15 12.616 -16.056 -8.890 1.00 0.00 C ATOM 214 C LEU B 15 13.748 -16.712 -8.107 1.00 0.00 C ATOM 215 O LEU B 15 13.947 -16.435 -6.923 1.00 0.00 O ATOM 216 CB LEU B 15 13.200 -14.951 -9.766 1.00 0.00 C ATOM 217 CG LEU B 15 12.167 -14.222 -10.621 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.636 -12.788 -10.839 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.064 -14.891 -11.990 1.00 0.00 C ATOM 0 H LEU B 15 11.531 -14.480 -8.056 1.00 0.00 H new ATOM 0 HA LEU B 15 12.128 -16.810 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.705 -14.226 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU B 15 13.958 -15.383 -10.420 1.00 0.00 H new ATOM 0 HG LEU B 15 11.201 -14.248 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU B 15 11.906 -12.255 -11.449 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.738 -12.288 -9.876 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.600 -12.794 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.325 -14.367 -12.596 1.00 0.00 H new ATOM 0 HD22 LEU B 15 13.033 -14.854 -12.487 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.760 -15.930 -11.865 1.00 0.00 H new ATOM 231 N ASN B 16 14.494 -17.591 -8.778 1.00 0.00 N ATOM 232 CA ASN B 16 15.649 -18.239 -8.203 1.00 0.00 C ATOM 233 C ASN B 16 16.786 -17.236 -7.992 1.00 0.00 C ATOM 234 O ASN B 16 16.814 -16.180 -8.625 1.00 0.00 O ATOM 235 CB ASN B 16 16.046 -19.363 -9.145 1.00 0.00 C ATOM 236 CG ASN B 16 17.035 -20.336 -8.554 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.323 -20.329 -7.363 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.559 -21.190 -9.418 1.00 0.00 N ATOM 0 H ASN B 16 14.303 -17.868 -9.741 1.00 0.00 H new ATOM 0 HA ASN B 16 15.421 -18.646 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.150 -19.907 -9.443 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.473 -18.931 -10.050 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.236 -21.884 -9.102 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.286 -21.154 -10.400 1.00 0.00 H new ATOM 245 N THR B 17 17.731 -17.560 -7.109 1.00 0.00 N ATOM 246 CA THR B 17 18.904 -16.722 -6.882 1.00 0.00 C ATOM 247 C THR B 17 19.852 -16.804 -8.075 1.00 0.00 C ATOM 248 O THR B 17 20.862 -16.104 -8.125 1.00 0.00 O ATOM 249 CB THR B 17 19.630 -17.177 -5.612 1.00 0.00 C ATOM 250 OG1 THR B 17 20.041 -18.519 -5.728 1.00 0.00 O ATOM 251 CG2 THR B 17 18.692 -17.092 -4.414 1.00 0.00 C ATOM 0 H THR B 17 17.704 -18.404 -6.536 1.00 0.00 H new ATOM 0 HA THR B 17 18.579 -15.689 -6.761 1.00 0.00 H new ATOM 0 HB THR B 17 20.494 -16.527 -5.476 1.00 0.00 H new ATOM 0 HG1 THR B 17 20.876 -18.562 -6.239 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.218 -17.418 -3.516 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.358 -16.062 -4.286 1.00 0.00 H new ATOM 0 HG23 THR B 17 17.828 -17.735 -4.582 1.00 0.00 H new ATOM 259 N GLU B 18 19.510 -17.670 -9.030 1.00 0.00 N ATOM 260 CA GLU B 18 20.329 -18.002 -10.180 1.00 0.00 C ATOM 261 C GLU B 18 19.772 -17.343 -11.441 1.00 0.00 C ATOM 262 O GLU B 18 20.406 -17.378 -12.494 1.00 0.00 O ATOM 263 CB GLU B 18 20.341 -19.525 -10.331 1.00 0.00 C ATOM 264 CG GLU B 18 20.480 -20.229 -8.975 1.00 0.00 C ATOM 265 CD GLU B 18 21.841 -19.945 -8.336 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.805 -20.657 -8.695 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.910 -19.021 -7.496 1.00 0.00 O ATOM 0 H GLU B 18 18.623 -18.173 -9.017 1.00 0.00 H new ATOM 0 HA GLU B 18 21.344 -17.633 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.421 -19.850 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.165 -19.820 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.686 -19.895 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.355 -21.304 -9.107 1.00 0.00 H new ATOM 274 N THR B 19 18.580 -16.744 -11.331 1.00 0.00 N ATOM 275 CA THR B 19 17.910 -16.112 -12.458 1.00 0.00 C ATOM 276 C THR B 19 18.518 -14.739 -12.702 1.00 0.00 C ATOM 277 O THR B 19 18.844 -14.028 -11.753 1.00 0.00 O ATOM 278 CB THR B 19 16.404 -16.021 -12.189 1.00 0.00 C ATOM 279 OG1 THR B 19 15.907 -17.300 -11.864 1.00 0.00 O ATOM 280 CG2 THR B 19 15.645 -15.521 -13.417 1.00 0.00 C ATOM 0 H THR B 19 18.059 -16.688 -10.456 1.00 0.00 H new ATOM 0 HA THR B 19 18.050 -16.713 -13.357 1.00 0.00 H new ATOM 0 HB THR B 19 16.258 -15.320 -11.367 1.00 0.00 H new ATOM 0 HG1 THR B 19 14.944 -17.242 -11.690 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.580 -15.469 -13.190 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.007 -14.530 -13.690 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.806 -16.207 -14.248 1.00 0.00 H new ATOM 288 N ASN B 20 18.669 -14.366 -13.974 1.00 0.00 N ATOM 289 CA ASN B 20 19.226 -13.076 -14.351 1.00 0.00 C ATOM 290 C ASN B 20 18.387 -12.456 -15.452 1.00 0.00 C ATOM 291 O ASN B 20 17.289 -12.914 -15.754 1.00 0.00 O ATOM 292 CB ASN B 20 20.669 -13.205 -14.847 1.00 0.00 C ATOM 293 CG ASN B 20 21.404 -14.375 -14.226 1.00 0.00 C ATOM 294 OD1 ASN B 20 21.965 -14.272 -13.137 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.395 -15.494 -14.936 1.00 0.00 N ATOM 0 H ASN B 20 18.408 -14.952 -14.767 1.00 0.00 H new ATOM 0 HA ASN B 20 19.219 -12.444 -13.463 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.666 -13.318 -15.931 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.208 -12.284 -14.624 1.00 0.00 H new ATOM 0 HD21 ASN B 20 21.870 -16.325 -14.584 1.00 0.00 H new ATOM 0 HD22 ASN B 20 20.913 -15.524 -15.835 1.00 0.00 H new ATOM 302 N GLU B 21 18.927 -11.399 -16.054 1.00 0.00 N ATOM 303 CA GLU B 21 18.237 -10.647 -17.089 1.00 0.00 C ATOM 304 C GLU B 21 18.120 -11.488 -18.352 1.00 0.00 C ATOM 305 O GLU B 21 17.162 -11.345 -19.107 1.00 0.00 O ATOM 306 CB GLU B 21 19.016 -9.365 -17.369 1.00 0.00 C ATOM 307 CG GLU B 21 18.900 -8.446 -16.160 1.00 0.00 C ATOM 308 CD GLU B 21 19.840 -7.249 -16.283 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.467 -6.283 -16.984 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.933 -7.313 -15.675 1.00 0.00 O ATOM 0 H GLU B 21 19.857 -11.042 -15.835 1.00 0.00 H new ATOM 0 HA GLU B 21 17.231 -10.392 -16.755 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.062 -9.595 -17.569 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.623 -8.871 -18.258 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.872 -8.096 -16.063 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.134 -9.003 -15.253 1.00 0.00 H new ATOM 317 N LYS B 22 19.088 -12.377 -18.590 1.00 0.00 N ATOM 318 CA LYS B 22 19.069 -13.224 -19.771 1.00 0.00 C ATOM 319 C LYS B 22 17.897 -14.201 -19.685 1.00 0.00 C ATOM 320 O LYS B 22 17.351 -14.611 -20.703 1.00 0.00 O ATOM 321 CB LYS B 22 20.417 -13.950 -19.851 1.00 0.00 C ATOM 322 CG LYS B 22 20.899 -14.230 -21.277 1.00 0.00 C ATOM 323 CD LYS B 22 19.934 -15.096 -22.090 1.00 0.00 C ATOM 324 CE LYS B 22 20.587 -15.547 -23.397 1.00 0.00 C ATOM 325 NZ LYS B 22 20.903 -14.398 -24.270 1.00 0.00 N ATOM 0 H LYS B 22 19.891 -12.524 -17.978 1.00 0.00 H new ATOM 0 HA LYS B 22 18.930 -12.635 -20.678 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.169 -13.352 -19.337 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.340 -14.895 -19.314 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.047 -13.282 -21.794 1.00 0.00 H new ATOM 0 HG3 LYS B 22 21.869 -14.725 -21.233 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.638 -15.967 -21.506 1.00 0.00 H new ATOM 0 HD3 LYS B 22 19.026 -14.533 -22.306 1.00 0.00 H new ATOM 0 HE2 LYS B 22 21.500 -16.100 -23.177 1.00 0.00 H new ATOM 0 HE3 LYS B 22 19.919 -16.231 -23.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 21.234 -14.744 -25.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 20.050 -13.818 -24.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 21.648 -13.822 -23.829 1.00 0.00 H new ATOM 339 N ALA B 23 17.502 -14.577 -18.468 1.00 0.00 N ATOM 340 CA ALA B 23 16.450 -15.563 -18.260 1.00 0.00 C ATOM 341 C ALA B 23 15.115 -14.847 -18.206 1.00 0.00 C ATOM 342 O ALA B 23 14.070 -15.464 -18.362 1.00 0.00 O ATOM 343 CB ALA B 23 16.740 -16.321 -16.966 1.00 0.00 C ATOM 0 H ALA B 23 17.902 -14.207 -17.606 1.00 0.00 H new ATOM 0 HA ALA B 23 16.415 -16.284 -19.077 1.00 0.00 H new ATOM 0 HB1 ALA B 23 15.960 -17.063 -16.797 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.706 -16.821 -17.046 1.00 0.00 H new ATOM 0 HB3 ALA B 23 16.762 -15.621 -16.131 1.00 0.00 H new ATOM 349 N LEU B 24 15.148 -13.538 -17.984 1.00 0.00 N ATOM 350 CA LEU B 24 13.974 -12.721 -17.801 1.00 0.00 C ATOM 351 C LEU B 24 13.584 -12.047 -19.110 1.00 0.00 C ATOM 352 O LEU B 24 12.408 -11.768 -19.338 1.00 0.00 O ATOM 353 CB LEU B 24 14.365 -11.725 -16.708 1.00 0.00 C ATOM 354 CG LEU B 24 13.789 -12.214 -15.387 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.549 -11.655 -14.194 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.333 -11.779 -15.267 1.00 0.00 C ATOM 0 H LEU B 24 16.019 -13.010 -17.926 1.00 0.00 H new ATOM 0 HA LEU B 24 13.093 -13.292 -17.507 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.450 -11.641 -16.641 1.00 0.00 H new ATOM 0 HB3 LEU B 24 13.982 -10.732 -16.945 1.00 0.00 H new ATOM 0 HG LEU B 24 13.875 -13.301 -15.381 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.105 -12.029 -13.272 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.592 -11.968 -14.248 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.496 -10.566 -14.206 1.00 0.00 H new ATOM 0 HD21 LEU B 24 11.925 -12.131 -14.320 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.274 -10.691 -15.305 1.00 0.00 H new ATOM 0 HD23 LEU B 24 11.758 -12.203 -16.090 1.00 0.00 H new ATOM 368 N GLU B 25 14.556 -11.788 -19.982 1.00 0.00 N ATOM 369 CA GLU B 25 14.254 -11.273 -21.308 1.00 0.00 C ATOM 370 C GLU B 25 13.846 -12.416 -22.221 1.00 0.00 C ATOM 371 O GLU B 25 13.029 -12.246 -23.127 1.00 0.00 O ATOM 372 CB GLU B 25 15.497 -10.622 -21.916 1.00 0.00 C ATOM 373 CG GLU B 25 15.818 -9.333 -21.184 1.00 0.00 C ATOM 374 CD GLU B 25 16.972 -8.586 -21.851 1.00 0.00 C ATOM 375 OE1 GLU B 25 18.132 -8.976 -21.605 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.681 -7.632 -22.607 1.00 0.00 O ATOM 0 H GLU B 25 15.549 -11.926 -19.794 1.00 0.00 H new ATOM 0 HA GLU B 25 13.449 -10.544 -21.215 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.343 -11.306 -21.853 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.330 -10.417 -22.974 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.934 -8.695 -21.162 1.00 0.00 H new ATOM 0 HG3 GLU B 25 16.076 -9.555 -20.149 1.00 0.00 H new ATOM 383 N ALA B 26 14.429 -13.589 -21.976 1.00 0.00 N ATOM 384 CA ALA B 26 14.224 -14.760 -22.808 1.00 0.00 C ATOM 385 C ALA B 26 12.902 -15.435 -22.490 1.00 0.00 C ATOM 386 O ALA B 26 12.297 -16.051 -23.364 1.00 0.00 O ATOM 387 CB ALA B 26 15.359 -15.728 -22.508 1.00 0.00 C ATOM 0 H ALA B 26 15.059 -13.748 -21.189 1.00 0.00 H new ATOM 0 HA ALA B 26 14.206 -14.467 -23.858 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.242 -16.625 -23.115 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.313 -15.254 -22.741 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.337 -15.999 -21.452 1.00 0.00 H new ATOM 393 N VAL B 27 12.455 -15.319 -21.237 1.00 0.00 N ATOM 394 CA VAL B 27 11.261 -15.999 -20.782 1.00 0.00 C ATOM 395 C VAL B 27 10.009 -15.145 -20.944 1.00 0.00 C ATOM 396 O VAL B 27 8.934 -15.662 -21.230 1.00 0.00 O ATOM 397 CB VAL B 27 11.494 -16.393 -19.346 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.285 -15.210 -18.422 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.590 -17.535 -18.933 1.00 0.00 C ATOM 0 H VAL B 27 12.913 -14.754 -20.522 1.00 0.00 H new ATOM 0 HA VAL B 27 11.079 -16.883 -21.394 1.00 0.00 H new ATOM 0 HB VAL B 27 12.528 -16.727 -19.264 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.459 -15.518 -17.391 1.00 0.00 H new ATOM 0 HG12 VAL B 27 11.983 -14.415 -18.685 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.263 -14.845 -18.524 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.784 -17.794 -17.892 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.549 -17.233 -19.044 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.786 -18.401 -19.565 1.00 0.00 H new ATOM 409 N PHE B 28 10.150 -13.832 -20.759 1.00 0.00 N ATOM 410 CA PHE B 28 9.032 -12.918 -20.940 1.00 0.00 C ATOM 411 C PHE B 28 8.968 -12.383 -22.365 1.00 0.00 C ATOM 412 O PHE B 28 7.991 -11.739 -22.740 1.00 0.00 O ATOM 413 CB PHE B 28 9.079 -11.796 -19.908 1.00 0.00 C ATOM 414 CG PHE B 28 8.738 -12.277 -18.519 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.399 -12.354 -18.117 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.748 -12.658 -17.632 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.073 -12.836 -16.845 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.429 -13.148 -16.356 1.00 0.00 C ATOM 419 CZ PHE B 28 8.088 -13.240 -15.966 1.00 0.00 C ATOM 0 H PHE B 28 11.024 -13.384 -20.485 1.00 0.00 H new ATOM 0 HA PHE B 28 8.110 -13.477 -20.776 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.075 -11.353 -19.902 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.382 -11.010 -20.198 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.616 -12.040 -18.791 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.783 -12.575 -17.931 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.039 -12.897 -16.540 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.214 -13.452 -15.679 1.00 0.00 H new ATOM 0 HZ PHE B 28 7.835 -13.622 -14.988 1.00 0.00 H new ATOM 429 N GLY B 29 10.002 -12.643 -23.169 1.00 0.00 N ATOM 430 CA GLY B 29 9.984 -12.237 -24.567 1.00 0.00 C ATOM 431 C GLY B 29 9.125 -13.195 -25.384 1.00 0.00 C ATOM 432 O GLY B 29 8.905 -12.981 -26.576 1.00 0.00 O ATOM 0 H GLY B 29 10.851 -13.127 -22.876 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.593 -11.223 -24.653 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.000 -12.222 -24.962 1.00 0.00 H new ATOM 436 N LYS B 30 8.641 -14.257 -24.732 1.00 0.00 N ATOM 437 CA LYS B 30 7.822 -15.295 -25.339 1.00 0.00 C ATOM 438 C LYS B 30 6.379 -14.836 -25.496 1.00 0.00 C ATOM 439 O LYS B 30 5.590 -15.478 -26.187 1.00 0.00 O ATOM 440 CB LYS B 30 7.880 -16.525 -24.434 1.00 0.00 C ATOM 441 CG LYS B 30 9.335 -16.935 -24.208 1.00 0.00 C ATOM 442 CD LYS B 30 9.477 -18.094 -23.215 1.00 0.00 C ATOM 443 CE LYS B 30 8.625 -19.309 -23.589 1.00 0.00 C ATOM 444 NZ LYS B 30 9.035 -19.890 -24.883 1.00 0.00 N ATOM 0 H LYS B 30 8.817 -14.417 -23.740 1.00 0.00 H new ATOM 0 HA LYS B 30 8.203 -15.526 -26.334 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.402 -16.308 -23.479 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.327 -17.348 -24.888 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.779 -17.222 -25.161 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.897 -16.076 -23.840 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.524 -18.394 -23.162 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.193 -17.750 -22.220 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.708 -20.065 -22.808 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.576 -19.016 -23.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.445 -20.721 -25.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.916 -19.182 -25.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.033 -20.178 -24.834 1.00 0.00 H new ATOM 458 N TYR B 31 6.054 -13.718 -24.848 1.00 0.00 N ATOM 459 CA TYR B 31 4.699 -13.189 -24.793 1.00 0.00 C ATOM 460 C TYR B 31 4.550 -11.836 -25.479 1.00 0.00 C ATOM 461 O TYR B 31 3.424 -11.398 -25.719 1.00 0.00 O ATOM 462 CB TYR B 31 4.331 -13.059 -23.323 1.00 0.00 C ATOM 463 CG TYR B 31 4.487 -14.349 -22.559 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.569 -15.390 -22.740 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.566 -14.493 -21.678 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.735 -16.595 -22.046 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.731 -15.692 -20.968 1.00 0.00 C ATOM 468 CZ TYR B 31 4.826 -16.757 -21.167 1.00 0.00 C ATOM 469 OH TYR B 31 5.005 -17.942 -20.512 1.00 0.00 O ATOM 0 H TYR B 31 6.734 -13.151 -24.342 1.00 0.00 H new ATOM 0 HA TYR B 31 4.038 -13.871 -25.328 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.957 -12.294 -22.864 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.299 -12.718 -23.242 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.734 -15.264 -23.414 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.269 -13.684 -21.545 1.00 0.00 H new ATOM 0 HE1 TYR B 31 3.028 -17.400 -22.184 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.549 -15.800 -20.271 1.00 0.00 H new ATOM 0 HH TYR B 31 5.668 -17.825 -19.800 1.00 0.00 H new ATOM 479 N GLY B 32 5.657 -11.161 -25.801 1.00 0.00 N ATOM 480 CA GLY B 32 5.553 -9.819 -26.350 1.00 0.00 C ATOM 481 C GLY B 32 6.903 -9.141 -26.459 1.00 0.00 C ATOM 482 O GLY B 32 7.908 -9.654 -25.965 1.00 0.00 O ATOM 0 H GLY B 32 6.608 -11.515 -25.693 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.091 -9.866 -27.336 1.00 0.00 H new ATOM 0 HA3 GLY B 32 4.897 -9.220 -25.719 1.00 0.00 H new ATOM 486 N ARG B 33 6.930 -7.974 -27.111 1.00 0.00 N ATOM 487 CA ARG B 33 8.166 -7.266 -27.334 1.00 0.00 C ATOM 488 C ARG B 33 8.544 -6.494 -26.087 1.00 0.00 C ATOM 489 O ARG B 33 7.848 -5.570 -25.670 1.00 0.00 O ATOM 490 CB ARG B 33 8.012 -6.370 -28.558 1.00 0.00 C ATOM 491 CG ARG B 33 9.372 -6.236 -29.223 1.00 0.00 C ATOM 492 CD ARG B 33 9.249 -5.464 -30.535 1.00 0.00 C ATOM 493 NE ARG B 33 10.536 -5.416 -31.239 1.00 0.00 N ATOM 494 CZ ARG B 33 11.387 -4.386 -31.203 1.00 0.00 C ATOM 495 NH1 ARG B 33 11.109 -3.284 -30.509 1.00 0.00 N ATOM 496 NH2 ARG B 33 12.537 -4.457 -31.869 1.00 0.00 N ATOM 0 H ARG B 33 6.103 -7.511 -27.488 1.00 0.00 H new ATOM 0 HA ARG B 33 8.980 -7.962 -27.535 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.289 -6.797 -29.253 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.633 -5.390 -28.267 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.062 -5.721 -28.554 1.00 0.00 H new ATOM 0 HG3 ARG B 33 9.790 -7.225 -29.413 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.500 -5.937 -31.170 1.00 0.00 H new ATOM 0 HD3 ARG B 33 8.902 -4.450 -30.334 1.00 0.00 H new ATOM 0 HE ARG B 33 10.800 -6.228 -31.797 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.233 -3.215 -29.992 1.00 0.00 H new ATOM 0 HH12 ARG B 33 11.772 -2.509 -30.495 1.00 0.00 H new ATOM 0 HH21 ARG B 33 12.766 -5.295 -32.404 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.190 -3.674 -31.845 1.00 0.00 H new ATOM 510 N ILE B 34 9.667 -6.897 -25.501 1.00 0.00 N ATOM 511 CA ILE B 34 10.230 -6.242 -24.333 1.00 0.00 C ATOM 512 C ILE B 34 10.863 -4.916 -24.741 1.00 0.00 C ATOM 513 O ILE B 34 11.507 -4.827 -25.787 1.00 0.00 O ATOM 514 CB ILE B 34 11.243 -7.182 -23.670 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.489 -8.419 -23.157 1.00 0.00 C ATOM 516 CG2 ILE B 34 11.975 -6.475 -22.532 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.390 -9.359 -22.356 1.00 0.00 C ATOM 0 H ILE B 34 10.213 -7.694 -25.828 1.00 0.00 H new ATOM 0 HA ILE B 34 9.448 -6.021 -23.607 1.00 0.00 H new ATOM 0 HB ILE B 34 11.997 -7.487 -24.396 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.655 -8.100 -22.532 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.065 -8.960 -24.003 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.689 -7.161 -22.076 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.506 -5.607 -22.924 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.254 -6.151 -21.782 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.810 -10.217 -22.016 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.210 -9.702 -22.987 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.793 -8.829 -21.493 1.00 0.00 H new ATOM 529 N VAL B 35 10.675 -3.891 -23.905 1.00 0.00 N ATOM 530 CA VAL B 35 11.292 -2.588 -24.110 1.00 0.00 C ATOM 531 C VAL B 35 12.313 -2.314 -23.011 1.00 0.00 C ATOM 532 O VAL B 35 13.182 -1.458 -23.178 1.00 0.00 O ATOM 533 CB VAL B 35 10.233 -1.475 -24.159 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.345 -0.733 -25.488 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.794 -1.975 -24.030 1.00 0.00 C ATOM 0 H VAL B 35 10.091 -3.946 -23.070 1.00 0.00 H new ATOM 0 HA VAL B 35 11.806 -2.598 -25.071 1.00 0.00 H new ATOM 0 HB VAL B 35 10.436 -0.833 -23.302 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.596 0.058 -25.528 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.339 -0.295 -25.578 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.180 -1.431 -26.309 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.109 -1.128 -24.074 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.573 -2.663 -24.846 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.672 -2.491 -23.078 1.00 0.00 H new ATOM 545 N GLU B 36 12.213 -3.036 -21.890 1.00 0.00 N ATOM 546 CA GLU B 36 13.146 -2.924 -20.779 1.00 0.00 C ATOM 547 C GLU B 36 13.015 -4.139 -19.861 1.00 0.00 C ATOM 548 O GLU B 36 11.933 -4.711 -19.746 1.00 0.00 O ATOM 549 CB GLU B 36 12.833 -1.642 -19.995 1.00 0.00 C ATOM 550 CG GLU B 36 13.818 -1.425 -18.850 1.00 0.00 C ATOM 551 CD GLU B 36 13.602 -0.063 -18.197 1.00 0.00 C ATOM 552 OE1 GLU B 36 12.755 0.011 -17.278 1.00 0.00 O ATOM 553 OE2 GLU B 36 14.286 0.896 -18.619 1.00 0.00 O ATOM 0 H GLU B 36 11.472 -3.720 -21.733 1.00 0.00 H new ATOM 0 HA GLU B 36 14.166 -2.884 -21.160 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.865 -0.786 -20.669 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.820 -1.697 -19.598 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.697 -2.213 -18.106 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.839 -1.495 -19.225 1.00 0.00 H new ATOM 560 N VAL B 37 14.106 -4.537 -19.204 1.00 0.00 N ATOM 561 CA VAL B 37 14.067 -5.559 -18.163 1.00 0.00 C ATOM 562 C VAL B 37 14.890 -5.107 -16.971 1.00 0.00 C ATOM 563 O VAL B 37 15.928 -4.460 -17.119 1.00 0.00 O ATOM 564 CB VAL B 37 14.508 -6.937 -18.680 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.079 -7.825 -17.576 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.294 -7.673 -19.241 1.00 0.00 C ATOM 0 H VAL B 37 15.037 -4.160 -19.380 1.00 0.00 H new ATOM 0 HA VAL B 37 13.032 -5.681 -17.844 1.00 0.00 H new ATOM 0 HB VAL B 37 15.277 -6.756 -19.431 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.374 -8.786 -17.998 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.949 -7.341 -17.133 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.322 -7.983 -16.808 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.600 -8.652 -19.610 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.549 -7.798 -18.455 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.864 -7.095 -20.059 1.00 0.00 H new ATOM 576 N LEU B 38 14.405 -5.467 -15.784 1.00 0.00 N ATOM 577 CA LEU B 38 15.087 -5.260 -14.517 1.00 0.00 C ATOM 578 C LEU B 38 15.321 -6.614 -13.884 1.00 0.00 C ATOM 579 O LEU B 38 14.596 -7.570 -14.147 1.00 0.00 O ATOM 580 CB LEU B 38 14.195 -4.423 -13.610 1.00 0.00 C ATOM 581 CG LEU B 38 14.534 -2.928 -13.629 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.483 -2.169 -12.829 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.889 -2.644 -12.988 1.00 0.00 C ATOM 0 H LEU B 38 13.499 -5.924 -15.679 1.00 0.00 H new ATOM 0 HA LEU B 38 16.036 -4.746 -14.667 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.156 -4.556 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.279 -4.794 -12.588 1.00 0.00 H new ATOM 0 HG LEU B 38 14.559 -2.611 -14.672 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.718 -1.105 -12.838 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.501 -2.328 -13.275 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.477 -2.531 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.090 -1.573 -13.022 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.878 -2.978 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.668 -3.177 -13.533 1.00 0.00 H new ATOM 595 N LEU B 39 16.342 -6.692 -13.041 1.00 0.00 N ATOM 596 CA LEU B 39 16.582 -7.867 -12.240 1.00 0.00 C ATOM 597 C LEU B 39 17.270 -7.386 -10.978 1.00 0.00 C ATOM 598 O LEU B 39 18.357 -6.807 -11.042 1.00 0.00 O ATOM 599 CB LEU B 39 17.424 -8.838 -13.070 1.00 0.00 C ATOM 600 CG LEU B 39 17.845 -10.137 -12.379 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.128 -9.952 -11.572 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.763 -10.732 -11.485 1.00 0.00 C ATOM 0 H LEU B 39 17.019 -5.943 -12.899 1.00 0.00 H new ATOM 0 HA LEU B 39 15.678 -8.404 -11.954 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.862 -9.095 -13.968 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.324 -8.317 -13.396 1.00 0.00 H new ATOM 0 HG LEU B 39 18.022 -10.845 -13.189 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.397 -10.895 -11.095 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.933 -9.638 -12.236 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.971 -9.191 -10.808 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.132 -11.651 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.503 -10.018 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.879 -10.954 -12.082 1.00 0.00 H new ATOM 614 N MET B 40 16.639 -7.615 -9.826 1.00 0.00 N ATOM 615 CA MET B 40 17.108 -7.004 -8.600 1.00 0.00 C ATOM 616 C MET B 40 18.065 -7.928 -7.874 1.00 0.00 C ATOM 617 O MET B 40 17.868 -9.141 -7.864 1.00 0.00 O ATOM 618 CB MET B 40 15.931 -6.604 -7.711 1.00 0.00 C ATOM 619 CG MET B 40 14.816 -5.860 -8.458 1.00 0.00 C ATOM 620 SD MET B 40 15.273 -4.959 -9.968 1.00 0.00 S ATOM 621 CE MET B 40 16.465 -3.751 -9.344 1.00 0.00 C ATOM 0 H MET B 40 15.817 -8.210 -9.724 1.00 0.00 H new ATOM 0 HA MET B 40 17.654 -6.095 -8.853 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.513 -7.500 -7.252 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.297 -5.973 -6.901 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.045 -6.585 -8.719 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.364 -5.149 -7.766 1.00 0.00 H new ATOM 0 HE1 MET B 40 16.157 -2.749 -9.642 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.507 -3.810 -8.256 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.451 -3.965 -9.757 1.00 0.00 H new ATOM 631 N LYS B 41 19.103 -7.355 -7.264 1.00 0.00 N ATOM 632 CA LYS B 41 20.077 -8.114 -6.496 1.00 0.00 C ATOM 633 C LYS B 41 20.636 -7.283 -5.346 1.00 0.00 C ATOM 634 O LYS B 41 20.696 -6.058 -5.423 1.00 0.00 O ATOM 635 CB LYS B 41 21.202 -8.659 -7.388 1.00 0.00 C ATOM 636 CG LYS B 41 21.259 -7.987 -8.760 1.00 0.00 C ATOM 637 CD LYS B 41 22.475 -8.491 -9.538 1.00 0.00 C ATOM 638 CE LYS B 41 22.486 -7.876 -10.939 1.00 0.00 C ATOM 639 NZ LYS B 41 22.692 -6.417 -10.893 1.00 0.00 N ATOM 0 H LYS B 41 19.288 -6.352 -7.291 1.00 0.00 H new ATOM 0 HA LYS B 41 19.559 -8.972 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.158 -8.521 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.064 -9.732 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.347 -8.200 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.315 -6.905 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.391 -8.229 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.448 -9.578 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS B 41 23.276 -8.336 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS B 41 21.543 -8.095 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 22.896 -6.065 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 21.833 -5.956 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.493 -6.199 -10.266 1.00 0.00 H new ATOM 765 N ARG B 49 17.605 -10.626 -5.543 1.00 0.00 N ATOM 766 CA ARG B 49 16.705 -10.376 -4.419 1.00 0.00 C ATOM 767 C ARG B 49 15.569 -11.396 -4.427 1.00 0.00 C ATOM 768 O ARG B 49 14.816 -11.503 -3.461 1.00 0.00 O ATOM 769 CB ARG B 49 16.080 -8.983 -4.564 1.00 0.00 C ATOM 770 CG ARG B 49 17.061 -7.809 -4.517 1.00 0.00 C ATOM 771 CD ARG B 49 17.532 -7.449 -3.110 1.00 0.00 C ATOM 772 NE ARG B 49 16.423 -7.141 -2.201 1.00 0.00 N ATOM 773 CZ ARG B 49 15.688 -6.022 -2.225 1.00 0.00 C ATOM 774 NH1 ARG B 49 15.919 -5.062 -3.114 1.00 0.00 N ATOM 775 NH2 ARG B 49 14.705 -5.864 -1.344 1.00 0.00 N ATOM 0 HA ARG B 49 17.276 -10.450 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.540 -8.944 -5.510 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.344 -8.850 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG B 49 17.930 -8.050 -5.129 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.588 -6.935 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG B 49 18.111 -8.278 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.201 -6.590 -3.164 1.00 0.00 H new ATOM 0 HE ARG B 49 16.193 -7.837 -1.492 1.00 0.00 H new ATOM 0 HH11 ARG B 49 16.669 -5.169 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.346 -4.218 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.515 -6.592 -0.656 1.00 0.00 H new ATOM 0 HH22 ARG B 49 14.141 -5.014 -1.356 1.00 0.00 H new ATOM 789 N GLY B 50 15.452 -12.144 -5.527 1.00 0.00 N ATOM 790 CA GLY B 50 14.365 -13.084 -5.743 1.00 0.00 C ATOM 791 C GLY B 50 13.182 -12.405 -6.428 1.00 0.00 C ATOM 792 O GLY B 50 12.166 -13.051 -6.661 1.00 0.00 O ATOM 0 H GLY B 50 16.120 -12.109 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.715 -13.916 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.046 -13.502 -4.788 1.00 0.00 H new ATOM 796 N PHE B 51 13.294 -11.112 -6.755 1.00 0.00 N ATOM 797 CA PHE B 51 12.255 -10.423 -7.506 1.00 0.00 C ATOM 798 C PHE B 51 12.874 -9.556 -8.599 1.00 0.00 C ATOM 799 O PHE B 51 14.045 -9.182 -8.517 1.00 0.00 O ATOM 800 CB PHE B 51 11.335 -9.625 -6.579 1.00 0.00 C ATOM 801 CG PHE B 51 11.937 -8.369 -5.989 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.786 -8.450 -4.877 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.635 -7.119 -6.547 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.332 -7.282 -4.325 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.167 -5.952 -5.985 1.00 0.00 C ATOM 806 CZ PHE B 51 13.030 -6.035 -4.886 1.00 0.00 C ATOM 0 H PHE B 51 14.094 -10.529 -6.509 1.00 0.00 H new ATOM 0 HA PHE B 51 11.628 -11.168 -7.996 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.438 -9.351 -7.134 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.019 -10.274 -5.762 1.00 0.00 H new ATOM 0 HD1 PHE B 51 13.020 -9.412 -4.445 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.991 -7.056 -7.412 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.985 -7.344 -3.467 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.912 -4.988 -6.399 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.463 -5.137 -4.471 1.00 0.00 H new ATOM 816 N ALA B 52 12.086 -9.242 -9.627 1.00 0.00 N ATOM 817 CA ALA B 52 12.553 -8.493 -10.781 1.00 0.00 C ATOM 818 C ALA B 52 11.393 -7.744 -11.427 1.00 0.00 C ATOM 819 O ALA B 52 10.265 -7.805 -10.940 1.00 0.00 O ATOM 820 CB ALA B 52 13.164 -9.488 -11.769 1.00 0.00 C ATOM 0 H ALA B 52 11.102 -9.504 -9.678 1.00 0.00 H new ATOM 0 HA ALA B 52 13.298 -7.757 -10.480 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.524 -8.953 -12.648 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.996 -10.008 -11.294 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.408 -10.213 -12.070 1.00 0.00 H new ATOM 826 N PHE B 53 11.670 -7.036 -12.526 1.00 0.00 N ATOM 827 CA PHE B 53 10.651 -6.295 -13.253 1.00 0.00 C ATOM 828 C PHE B 53 10.909 -6.401 -14.755 1.00 0.00 C ATOM 829 O PHE B 53 12.014 -6.729 -15.180 1.00 0.00 O ATOM 830 CB PHE B 53 10.628 -4.830 -12.795 1.00 0.00 C ATOM 831 CG PHE B 53 10.423 -4.643 -11.313 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.507 -4.815 -10.444 1.00 0.00 C ATOM 833 CD2 PHE B 53 9.163 -4.294 -10.807 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.328 -4.679 -9.065 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.984 -4.153 -9.424 1.00 0.00 C ATOM 836 CZ PHE B 53 10.063 -4.358 -8.550 1.00 0.00 C ATOM 0 H PHE B 53 12.604 -6.964 -12.930 1.00 0.00 H new ATOM 0 HA PHE B 53 9.672 -6.725 -13.041 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.568 -4.358 -13.082 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.833 -4.308 -13.328 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.483 -5.053 -10.840 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.334 -4.134 -11.480 1.00 0.00 H new ATOM 0 HE1 PHE B 53 12.163 -4.821 -8.395 1.00 0.00 H new ATOM 0 HE2 PHE B 53 8.014 -3.886 -9.030 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.920 -4.269 -7.483 1.00 0.00 H new ATOM 846 N VAL B 54 9.891 -6.124 -15.570 1.00 0.00 N ATOM 847 CA VAL B 54 10.040 -6.128 -17.022 1.00 0.00 C ATOM 848 C VAL B 54 8.997 -5.218 -17.645 1.00 0.00 C ATOM 849 O VAL B 54 7.857 -5.191 -17.190 1.00 0.00 O ATOM 850 CB VAL B 54 9.908 -7.552 -17.578 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.660 -8.258 -17.121 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.941 -7.569 -19.107 1.00 0.00 C ATOM 0 H VAL B 54 8.952 -5.893 -15.246 1.00 0.00 H new ATOM 0 HA VAL B 54 11.034 -5.758 -17.274 1.00 0.00 H new ATOM 0 HB VAL B 54 10.770 -8.087 -17.179 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.630 -9.259 -17.551 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.660 -8.330 -16.033 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.784 -7.697 -17.447 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.845 -8.595 -19.462 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.116 -6.972 -19.495 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.886 -7.152 -19.455 1.00 0.00 H new ATOM 862 N THR B 55 9.380 -4.475 -18.682 1.00 0.00 N ATOM 863 CA THR B 55 8.458 -3.613 -19.399 1.00 0.00 C ATOM 864 C THR B 55 8.223 -4.156 -20.797 1.00 0.00 C ATOM 865 O THR B 55 9.169 -4.402 -21.545 1.00 0.00 O ATOM 866 CB THR B 55 8.965 -2.175 -19.456 1.00 0.00 C ATOM 867 OG1 THR B 55 9.228 -1.711 -18.149 1.00 0.00 O ATOM 868 CG2 THR B 55 7.900 -1.284 -20.096 1.00 0.00 C ATOM 0 H THR B 55 10.334 -4.457 -19.043 1.00 0.00 H new ATOM 0 HA THR B 55 7.512 -3.602 -18.858 1.00 0.00 H new ATOM 0 HB THR B 55 9.880 -2.141 -20.047 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.555 -0.788 -18.189 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.262 -0.257 -20.137 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.691 -1.636 -21.106 1.00 0.00 H new ATOM 0 HG23 THR B 55 6.987 -1.324 -19.502 1.00 0.00 H new ATOM 876 N PHE B 56 6.948 -4.333 -21.143 1.00 0.00 N ATOM 877 CA PHE B 56 6.529 -4.744 -22.470 1.00 0.00 C ATOM 878 C PHE B 56 6.080 -3.533 -23.283 1.00 0.00 C ATOM 879 O PHE B 56 5.794 -2.474 -22.729 1.00 0.00 O ATOM 880 CB PHE B 56 5.366 -5.724 -22.357 1.00 0.00 C ATOM 881 CG PHE B 56 5.683 -7.105 -21.829 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.274 -7.301 -20.570 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.359 -8.214 -22.622 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.548 -8.600 -20.120 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.603 -9.511 -22.161 1.00 0.00 C ATOM 886 CZ PHE B 56 6.197 -9.706 -20.907 1.00 0.00 C ATOM 0 H PHE B 56 6.172 -4.191 -20.496 1.00 0.00 H new ATOM 0 HA PHE B 56 7.372 -5.221 -22.970 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.609 -5.279 -21.711 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.917 -5.833 -23.344 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.517 -6.451 -19.949 1.00 0.00 H new ATOM 0 HD2 PHE B 56 4.918 -8.066 -23.596 1.00 0.00 H new ATOM 0 HE1 PHE B 56 7.030 -8.749 -19.165 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.334 -10.361 -22.770 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.384 -10.707 -20.547 1.00 0.00 H new ATOM 896 N GLU B 57 6.017 -3.694 -24.604 1.00 0.00 N ATOM 897 CA GLU B 57 5.583 -2.649 -25.509 1.00 0.00 C ATOM 898 C GLU B 57 4.073 -2.382 -25.436 1.00 0.00 C ATOM 899 O GLU B 57 3.621 -1.322 -25.874 1.00 0.00 O ATOM 900 CB GLU B 57 5.988 -3.066 -26.920 1.00 0.00 C ATOM 901 CG GLU B 57 7.419 -2.623 -27.236 1.00 0.00 C ATOM 902 CD GLU B 57 7.740 -2.690 -28.728 1.00 0.00 C ATOM 903 OE1 GLU B 57 6.822 -2.999 -29.521 1.00 0.00 O ATOM 904 OE2 GLU B 57 8.915 -2.427 -29.068 1.00 0.00 O ATOM 0 H GLU B 57 6.270 -4.564 -25.073 1.00 0.00 H new ATOM 0 HA GLU B 57 6.061 -1.713 -25.221 1.00 0.00 H new ATOM 0 HB2 GLU B 57 5.909 -4.149 -27.020 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.300 -2.628 -27.644 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.566 -1.602 -26.882 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.120 -3.254 -26.689 1.00 0.00 H new ATOM 911 N SER B 58 3.287 -3.319 -24.897 1.00 0.00 N ATOM 912 CA SER B 58 1.852 -3.153 -24.702 1.00 0.00 C ATOM 913 C SER B 58 1.474 -3.501 -23.267 1.00 0.00 C ATOM 914 O SER B 58 2.144 -4.289 -22.603 1.00 0.00 O ATOM 915 CB SER B 58 1.124 -4.027 -25.729 1.00 0.00 C ATOM 916 OG SER B 58 -0.262 -4.084 -25.473 1.00 0.00 O ATOM 0 H SER B 58 3.638 -4.223 -24.582 1.00 0.00 H new ATOM 0 HA SER B 58 1.555 -2.116 -24.858 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.294 -3.631 -26.730 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.540 -5.034 -25.710 1.00 0.00 H new ATOM 0 HG SER B 58 -0.696 -4.648 -26.147 1.00 0.00 H new ATOM 922 N PRO B 59 0.384 -2.921 -22.760 1.00 0.00 N ATOM 923 CA PRO B 59 -0.176 -3.294 -21.481 1.00 0.00 C ATOM 924 C PRO B 59 -1.039 -4.537 -21.623 1.00 0.00 C ATOM 925 O PRO B 59 -1.640 -4.959 -20.637 1.00 0.00 O ATOM 926 CB PRO B 59 -1.052 -2.111 -21.103 1.00 0.00 C ATOM 927 CG PRO B 59 -1.631 -1.751 -22.461 1.00 0.00 C ATOM 928 CD PRO B 59 -0.405 -1.859 -23.357 1.00 0.00 C ATOM 0 HA PRO B 59 0.592 -3.516 -20.740 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.823 -2.380 -20.381 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.479 -1.293 -20.667 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.421 -2.438 -22.764 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -2.058 -0.748 -22.471 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.683 -2.099 -24.383 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.149 -0.921 -23.387 1.00 0.00 H new ATOM 936 N ALA B 60 -1.105 -5.122 -22.827 1.00 0.00 N ATOM 937 CA ALA B 60 -1.927 -6.292 -23.091 1.00 0.00 C ATOM 938 C ALA B 60 -1.119 -7.470 -23.624 1.00 0.00 C ATOM 939 O ALA B 60 -1.614 -8.597 -23.626 1.00 0.00 O ATOM 940 CB ALA B 60 -3.055 -5.907 -24.044 1.00 0.00 C ATOM 0 H ALA B 60 -0.586 -4.791 -23.640 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.352 -6.631 -22.146 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.675 -6.781 -24.246 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.665 -5.126 -23.589 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.632 -5.539 -24.979 1.00 0.00 H new ATOM 946 N ASP B 61 0.116 -7.244 -24.077 1.00 0.00 N ATOM 947 CA ASP B 61 0.993 -8.343 -24.445 1.00 0.00 C ATOM 948 C ASP B 61 1.725 -8.825 -23.193 1.00 0.00 C ATOM 949 O ASP B 61 2.208 -9.953 -23.130 1.00 0.00 O ATOM 950 CB ASP B 61 1.932 -7.909 -25.573 1.00 0.00 C ATOM 951 CG ASP B 61 3.069 -6.990 -25.147 1.00 0.00 C ATOM 952 OD1 ASP B 61 2.874 -6.268 -24.152 1.00 0.00 O ATOM 953 OD2 ASP B 61 4.122 -7.023 -25.821 1.00 0.00 O ATOM 0 H ASP B 61 0.523 -6.316 -24.195 1.00 0.00 H new ATOM 0 HA ASP B 61 0.424 -9.186 -24.836 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.358 -8.800 -26.033 1.00 0.00 H new ATOM 0 HB3 ASP B 61 1.345 -7.404 -26.340 1.00 0.00 H new ATOM 958 N ALA B 62 1.786 -7.938 -22.201 1.00 0.00 N ATOM 959 CA ALA B 62 2.283 -8.238 -20.871 1.00 0.00 C ATOM 960 C ALA B 62 1.280 -9.079 -20.088 1.00 0.00 C ATOM 961 O ALA B 62 1.667 -9.852 -19.211 1.00 0.00 O ATOM 962 CB ALA B 62 2.514 -6.933 -20.113 1.00 0.00 C ATOM 0 H ALA B 62 1.483 -6.970 -22.308 1.00 0.00 H new ATOM 0 HA ALA B 62 3.213 -8.797 -20.973 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.887 -7.154 -19.113 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.245 -6.326 -20.647 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.575 -6.385 -20.037 1.00 0.00 H new ATOM 968 N LYS B 63 -0.013 -8.940 -20.396 1.00 0.00 N ATOM 969 CA LYS B 63 -1.056 -9.668 -19.690 1.00 0.00 C ATOM 970 C LYS B 63 -0.979 -11.145 -20.023 1.00 0.00 C ATOM 971 O LYS B 63 -1.271 -11.985 -19.180 1.00 0.00 O ATOM 972 CB LYS B 63 -2.424 -9.133 -20.108 1.00 0.00 C ATOM 973 CG LYS B 63 -2.571 -7.679 -19.660 1.00 0.00 C ATOM 974 CD LYS B 63 -3.905 -7.059 -20.088 1.00 0.00 C ATOM 975 CE LYS B 63 -5.059 -7.809 -19.419 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.361 -7.245 -19.818 1.00 0.00 N ATOM 0 H LYS B 63 -0.357 -8.326 -21.134 1.00 0.00 H new ATOM 0 HA LYS B 63 -0.916 -9.533 -18.618 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.537 -9.203 -21.190 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.213 -9.741 -19.665 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.483 -7.627 -18.575 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.752 -7.091 -20.075 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -3.933 -6.005 -19.810 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -4.008 -7.106 -21.172 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.017 -8.864 -19.691 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -4.952 -7.755 -18.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.126 -7.772 -19.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.407 -6.245 -19.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.470 -7.319 -20.850 1.00 0.00 H new ATOM 990 N ASP B 64 -0.582 -11.467 -21.252 1.00 0.00 N ATOM 991 CA ASP B 64 -0.523 -12.848 -21.696 1.00 0.00 C ATOM 992 C ASP B 64 0.626 -13.565 -20.998 1.00 0.00 C ATOM 993 O ASP B 64 0.584 -14.777 -20.808 1.00 0.00 O ATOM 994 CB ASP B 64 -0.317 -12.839 -23.204 1.00 0.00 C ATOM 995 CG ASP B 64 -0.519 -14.218 -23.822 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.634 -14.766 -23.658 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.438 -14.714 -24.456 1.00 0.00 O ATOM 0 H ASP B 64 -0.297 -10.786 -21.955 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.444 -13.376 -21.450 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.012 -12.133 -23.660 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.689 -12.486 -23.429 1.00 0.00 H new ATOM 1002 N ALA B 65 1.652 -12.800 -20.615 1.00 0.00 N ATOM 1003 CA ALA B 65 2.753 -13.328 -19.830 1.00 0.00 C ATOM 1004 C ALA B 65 2.331 -13.457 -18.377 1.00 0.00 C ATOM 1005 O ALA B 65 2.570 -14.480 -17.746 1.00 0.00 O ATOM 1006 CB ALA B 65 3.956 -12.398 -19.932 1.00 0.00 C ATOM 0 H ALA B 65 1.736 -11.809 -20.841 1.00 0.00 H new ATOM 0 HA ALA B 65 3.026 -14.310 -20.216 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.778 -12.801 -19.340 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.265 -12.316 -20.974 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.686 -11.412 -19.555 1.00 0.00 H new ATOM 1012 N ALA B 66 1.698 -12.413 -17.841 1.00 0.00 N ATOM 1013 CA ALA B 66 1.286 -12.388 -16.449 1.00 0.00 C ATOM 1014 C ALA B 66 0.158 -13.385 -16.184 1.00 0.00 C ATOM 1015 O ALA B 66 -0.189 -13.639 -15.030 1.00 0.00 O ATOM 1016 CB ALA B 66 0.869 -10.952 -16.118 1.00 0.00 C ATOM 0 H ALA B 66 1.460 -11.568 -18.361 1.00 0.00 H new ATOM 0 HA ALA B 66 2.110 -12.692 -15.803 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.552 -10.896 -15.077 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.714 -10.282 -16.277 1.00 0.00 H new ATOM 0 HB3 ALA B 66 0.043 -10.655 -16.765 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.409 -13.952 -17.255 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.420 -14.999 -17.191 1.00 0.00 C ATOM 1024 C ARG B 67 -0.835 -16.385 -17.470 1.00 0.00 C ATOM 1025 O ARG B 67 -1.592 -17.343 -17.625 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.532 -14.652 -18.182 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.334 -13.452 -17.667 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.281 -12.887 -18.732 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.212 -13.902 -19.236 1.00 0.00 N ATOM 1030 CZ ARG B 67 -6.361 -14.239 -18.641 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -6.746 -13.642 -17.513 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -7.136 -15.179 -19.173 1.00 0.00 N ATOM 0 H ARG B 67 -0.168 -13.685 -18.210 1.00 0.00 H new ATOM 0 HA ARG B 67 -1.824 -15.045 -16.180 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.103 -14.422 -19.157 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.191 -15.510 -18.318 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -3.911 -13.752 -16.792 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.647 -12.670 -17.343 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.845 -12.055 -18.310 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.697 -12.488 -19.561 1.00 0.00 H new ATOM 0 HE ARG B 67 -4.966 -14.384 -20.100 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -6.162 -12.919 -17.094 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -7.625 -13.908 -17.069 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -6.854 -15.644 -20.036 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -8.012 -15.435 -18.718 1.00 0.00 H new ATOM 1046 N ASP B 68 0.493 -16.519 -17.543 1.00 0.00 N ATOM 1047 CA ASP B 68 1.132 -17.772 -17.893 1.00 0.00 C ATOM 1048 C ASP B 68 2.258 -18.044 -16.918 1.00 0.00 C ATOM 1049 O ASP B 68 2.372 -19.115 -16.328 1.00 0.00 O ATOM 1050 CB ASP B 68 1.769 -17.576 -19.261 1.00 0.00 C ATOM 1051 CG ASP B 68 0.981 -18.276 -20.365 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.161 -17.841 -20.635 1.00 0.00 O ATOM 1053 OD2 ASP B 68 1.528 -19.248 -20.932 1.00 0.00 O ATOM 0 H ASP B 68 1.146 -15.757 -17.360 1.00 0.00 H new ATOM 0 HA ASP B 68 0.409 -18.588 -17.879 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.833 -16.510 -19.481 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.789 -17.960 -19.244 1.00 0.00 H new ATOM 1058 N MET B 69 3.094 -17.021 -16.773 1.00 0.00 N ATOM 1059 CA MET B 69 4.275 -17.020 -15.966 1.00 0.00 C ATOM 1060 C MET B 69 3.935 -16.865 -14.489 1.00 0.00 C ATOM 1061 O MET B 69 4.759 -17.176 -13.633 1.00 0.00 O ATOM 1062 CB MET B 69 5.086 -15.842 -16.476 1.00 0.00 C ATOM 1063 CG MET B 69 5.754 -16.120 -17.814 1.00 0.00 C ATOM 1064 SD MET B 69 6.826 -17.583 -17.847 1.00 0.00 S ATOM 1065 CE MET B 69 7.729 -17.364 -16.290 1.00 0.00 C ATOM 0 H MET B 69 2.944 -16.130 -17.247 1.00 0.00 H new ATOM 0 HA MET B 69 4.825 -17.958 -16.040 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.434 -14.974 -16.574 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.849 -15.587 -15.741 1.00 0.00 H new ATOM 0 HG2 MET B 69 4.980 -16.239 -18.572 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.345 -15.249 -18.096 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.446 -18.176 -16.168 1.00 0.00 H new ATOM 0 HE2 MET B 69 8.259 -16.412 -16.308 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.026 -17.373 -15.457 1.00 0.00 H new ATOM 1075 N ASN B 70 2.728 -16.384 -14.184 1.00 0.00 N ATOM 1076 CA ASN B 70 2.280 -16.257 -12.812 1.00 0.00 C ATOM 1077 C ASN B 70 1.903 -17.638 -12.284 1.00 0.00 C ATOM 1078 O ASN B 70 0.906 -18.222 -12.708 1.00 0.00 O ATOM 1079 CB ASN B 70 1.101 -15.282 -12.763 1.00 0.00 C ATOM 1080 CG ASN B 70 0.606 -15.037 -11.343 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.239 -15.446 -10.375 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.530 -14.361 -11.214 1.00 0.00 N ATOM 0 H ASN B 70 2.047 -16.077 -14.878 1.00 0.00 H new ATOM 0 HA ASN B 70 3.071 -15.859 -12.176 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.399 -14.333 -13.209 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.283 -15.675 -13.367 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.905 -14.166 -10.286 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.028 -14.037 -12.043 1.00 0.00 H new ATOM 1089 N GLY B 71 2.706 -18.157 -11.354 1.00 0.00 N ATOM 1090 CA GLY B 71 2.481 -19.458 -10.740 1.00 0.00 C ATOM 1091 C GLY B 71 3.409 -20.533 -11.302 1.00 0.00 C ATOM 1092 O GLY B 71 3.439 -21.644 -10.777 1.00 0.00 O ATOM 0 H GLY B 71 3.537 -17.679 -11.006 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.630 -19.380 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.445 -19.757 -10.898 1.00 0.00 H new ATOM 1096 N LYS B 72 4.171 -20.223 -12.360 1.00 0.00 N ATOM 1097 CA LYS B 72 5.158 -21.143 -12.907 1.00 0.00 C ATOM 1098 C LYS B 72 6.504 -20.934 -12.240 1.00 0.00 C ATOM 1099 O LYS B 72 6.600 -20.171 -11.287 1.00 0.00 O ATOM 1100 CB LYS B 72 5.188 -21.056 -14.420 1.00 0.00 C ATOM 1101 CG LYS B 72 6.229 -20.138 -15.053 1.00 0.00 C ATOM 1102 CD LYS B 72 6.451 -20.648 -16.471 1.00 0.00 C ATOM 1103 CE LYS B 72 5.166 -20.497 -17.278 1.00 0.00 C ATOM 1104 NZ LYS B 72 5.371 -20.846 -18.697 1.00 0.00 N ATOM 0 H LYS B 72 4.116 -19.332 -12.853 1.00 0.00 H new ATOM 0 HA LYS B 72 4.873 -22.170 -12.680 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.344 -22.061 -14.812 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.204 -20.731 -14.758 1.00 0.00 H new ATOM 0 HG2 LYS B 72 5.881 -19.105 -15.062 1.00 0.00 H new ATOM 0 HG3 LYS B 72 7.159 -20.156 -14.484 1.00 0.00 H new ATOM 0 HD2 LYS B 72 7.258 -20.090 -16.946 1.00 0.00 H new ATOM 0 HD3 LYS B 72 6.757 -21.694 -16.448 1.00 0.00 H new ATOM 0 HE2 LYS B 72 4.392 -21.137 -16.854 1.00 0.00 H new ATOM 0 HE3 LYS B 72 4.807 -19.470 -17.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 4.477 -20.732 -19.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 6.092 -20.219 -19.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 5.689 -21.833 -18.769 1.00 0.00 H new ATOM 1118 N SER B 73 7.535 -21.610 -12.738 1.00 0.00 N ATOM 1119 CA SER B 73 8.858 -21.571 -12.142 1.00 0.00 C ATOM 1120 C SER B 73 9.912 -21.105 -13.123 1.00 0.00 C ATOM 1121 O SER B 73 9.779 -21.256 -14.339 1.00 0.00 O ATOM 1122 CB SER B 73 9.162 -22.966 -11.594 1.00 0.00 C ATOM 1123 OG SER B 73 10.444 -23.011 -11.014 1.00 0.00 O ATOM 0 H SER B 73 7.472 -22.200 -13.568 1.00 0.00 H new ATOM 0 HA SER B 73 8.877 -20.841 -11.332 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.413 -23.240 -10.851 1.00 0.00 H new ATOM 0 HB3 SER B 73 9.097 -23.699 -12.398 1.00 0.00 H new ATOM 0 HG SER B 73 10.616 -23.912 -10.669 1.00 0.00 H new ATOM 1129 N LEU B 74 10.969 -20.529 -12.550 1.00 0.00 N ATOM 1130 CA LEU B 74 12.107 -20.053 -13.302 1.00 0.00 C ATOM 1131 C LEU B 74 13.358 -20.579 -12.639 1.00 0.00 C ATOM 1132 O LEU B 74 13.546 -20.384 -11.437 1.00 0.00 O ATOM 1133 CB LEU B 74 12.163 -18.524 -13.332 1.00 0.00 C ATOM 1134 CG LEU B 74 12.228 -18.040 -14.785 1.00 0.00 C ATOM 1135 CD1 LEU B 74 10.934 -17.354 -15.155 1.00 0.00 C ATOM 1136 CD2 LEU B 74 13.198 -16.910 -15.056 1.00 0.00 C ATOM 0 H LEU B 74 11.050 -20.383 -11.544 1.00 0.00 H new ATOM 0 HA LEU B 74 12.023 -20.405 -14.330 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.285 -18.108 -12.839 1.00 0.00 H new ATOM 0 HB3 LEU B 74 13.035 -18.171 -12.781 1.00 0.00 H new ATOM 0 HG LEU B 74 12.493 -18.950 -15.324 1.00 0.00 H new ATOM 0 HD11 LEU B 74 10.986 -17.012 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU B 74 10.106 -18.055 -15.046 1.00 0.00 H new ATOM 0 HD13 LEU B 74 10.774 -16.499 -14.498 1.00 0.00 H new ATOM 0 HD21 LEU B 74 13.164 -16.647 -16.113 1.00 0.00 H new ATOM 0 HD22 LEU B 74 12.922 -16.042 -14.457 1.00 0.00 H new ATOM 0 HD23 LEU B 74 14.208 -17.226 -14.794 1.00 0.00 H new ATOM 1148 N ASP B 75 14.200 -21.241 -13.430 1.00 0.00 N ATOM 1149 CA ASP B 75 15.436 -21.853 -12.978 1.00 0.00 C ATOM 1150 C ASP B 75 15.235 -22.960 -11.946 1.00 0.00 C ATOM 1151 O ASP B 75 16.086 -23.836 -11.809 1.00 0.00 O ATOM 1152 CB ASP B 75 16.324 -20.742 -12.422 1.00 0.00 C ATOM 1153 CG ASP B 75 17.808 -21.061 -12.603 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.295 -21.985 -11.919 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.444 -20.369 -13.431 1.00 0.00 O ATOM 0 H ASP B 75 14.032 -21.367 -14.428 1.00 0.00 H new ATOM 0 HA ASP B 75 15.905 -22.348 -13.828 1.00 0.00 H new ATOM 0 HB2 ASP B 75 16.090 -19.803 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.109 -20.600 -11.363 1.00 0.00 H new ATOM 1160 N GLY B 76 14.118 -22.929 -11.222 1.00 0.00 N ATOM 1161 CA GLY B 76 13.833 -23.940 -10.238 1.00 0.00 C ATOM 1162 C GLY B 76 12.862 -23.467 -9.157 1.00 0.00 C ATOM 1163 O GLY B 76 12.379 -24.286 -8.378 1.00 0.00 O ATOM 0 H GLY B 76 13.402 -22.208 -11.308 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.415 -24.815 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.765 -24.255 -9.768 1.00 0.00 H new ATOM 1167 N LYS B 77 12.572 -22.161 -9.101 1.00 0.00 N ATOM 1168 CA LYS B 77 11.734 -21.585 -8.055 1.00 0.00 C ATOM 1169 C LYS B 77 10.480 -20.960 -8.656 1.00 0.00 C ATOM 1170 O LYS B 77 10.552 -20.283 -9.682 1.00 0.00 O ATOM 1171 CB LYS B 77 12.537 -20.563 -7.247 1.00 0.00 C ATOM 1172 CG LYS B 77 13.875 -21.134 -6.761 1.00 0.00 C ATOM 1173 CD LYS B 77 13.699 -22.337 -5.834 1.00 0.00 C ATOM 1174 CE LYS B 77 15.053 -23.013 -5.639 1.00 0.00 C ATOM 1175 NZ LYS B 77 14.952 -24.149 -4.704 1.00 0.00 N ATOM 0 H LYS B 77 12.913 -21.480 -9.780 1.00 0.00 H new ATOM 0 HA LYS B 77 11.413 -22.377 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.721 -19.681 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS B 77 11.949 -20.238 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.474 -21.428 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.430 -20.355 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.296 -22.017 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS B 77 12.984 -23.041 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.430 -23.362 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.773 -22.288 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 15.887 -24.589 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 14.615 -23.810 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.283 -24.850 -5.081 1.00 0.00 H new ATOM 1189 N ALA B 78 9.332 -21.188 -8.012 1.00 0.00 N ATOM 1190 CA ALA B 78 8.046 -20.713 -8.498 1.00 0.00 C ATOM 1191 C ALA B 78 7.942 -19.195 -8.364 1.00 0.00 C ATOM 1192 O ALA B 78 8.358 -18.636 -7.350 1.00 0.00 O ATOM 1193 CB ALA B 78 6.919 -21.414 -7.742 1.00 0.00 C ATOM 0 H ALA B 78 9.275 -21.709 -7.137 1.00 0.00 H new ATOM 0 HA ALA B 78 7.956 -20.954 -9.557 1.00 0.00 H new ATOM 0 HB1 ALA B 78 5.957 -21.056 -8.109 1.00 0.00 H new ATOM 0 HB2 ALA B 78 6.989 -22.490 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.005 -21.197 -6.677 1.00 0.00 H new ATOM 1199 N ILE B 79 7.386 -18.530 -9.384 1.00 0.00 N ATOM 1200 CA ILE B 79 7.312 -17.079 -9.417 1.00 0.00 C ATOM 1201 C ILE B 79 5.885 -16.555 -9.555 1.00 0.00 C ATOM 1202 O ILE B 79 4.956 -17.292 -9.881 1.00 0.00 O ATOM 1203 CB ILE B 79 8.200 -16.511 -10.528 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.661 -16.809 -11.938 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.598 -17.104 -10.389 1.00 0.00 C ATOM 1206 CD1 ILE B 79 8.518 -16.162 -13.032 1.00 0.00 C ATOM 0 H ILE B 79 6.980 -18.986 -10.201 1.00 0.00 H new ATOM 0 HA ILE B 79 7.682 -16.733 -8.452 1.00 0.00 H new ATOM 0 HB ILE B 79 8.215 -15.427 -10.415 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.630 -17.887 -12.093 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.637 -16.445 -12.018 1.00 0.00 H new ATOM 0 HG21 ILE B 79 10.241 -16.708 -11.175 1.00 0.00 H new ATOM 0 HG22 ILE B 79 10.010 -16.840 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.543 -18.189 -10.478 1.00 0.00 H new ATOM 0 HD11 ILE B 79 8.100 -16.399 -14.010 1.00 0.00 H new ATOM 0 HD12 ILE B 79 8.528 -15.081 -12.894 1.00 0.00 H new ATOM 0 HD13 ILE B 79 9.537 -16.545 -12.970 1.00 0.00 H new ATOM 1218 N LYS B 80 5.741 -15.252 -9.302 1.00 0.00 N ATOM 1219 CA LYS B 80 4.510 -14.493 -9.447 1.00 0.00 C ATOM 1220 C LYS B 80 4.716 -13.464 -10.544 1.00 0.00 C ATOM 1221 O LYS B 80 5.824 -12.948 -10.697 1.00 0.00 O ATOM 1222 CB LYS B 80 4.205 -13.773 -8.135 1.00 0.00 C ATOM 1223 CG LYS B 80 2.814 -13.130 -8.170 1.00 0.00 C ATOM 1224 CD LYS B 80 2.661 -12.097 -7.054 1.00 0.00 C ATOM 1225 CE LYS B 80 1.238 -11.542 -7.061 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.093 -10.421 -6.117 1.00 0.00 N ATOM 0 H LYS B 80 6.518 -14.677 -8.976 1.00 0.00 H new ATOM 0 HA LYS B 80 3.682 -15.156 -9.697 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.262 -14.479 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.959 -13.007 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.654 -12.653 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.050 -13.901 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS B 80 2.879 -12.554 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.378 -11.288 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS B 80 0.981 -11.208 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.536 -12.334 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 0.116 -10.067 -6.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 1.315 -10.747 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.746 -9.657 -6.383 1.00 0.00 H new ATOM 1240 N VAL B 81 3.661 -13.159 -11.303 1.00 0.00 N ATOM 1241 CA VAL B 81 3.723 -12.114 -12.306 1.00 0.00 C ATOM 1242 C VAL B 81 2.451 -11.281 -12.247 1.00 0.00 C ATOM 1243 O VAL B 81 1.347 -11.820 -12.262 1.00 0.00 O ATOM 1244 CB VAL B 81 3.953 -12.704 -13.695 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.100 -11.575 -14.710 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.235 -13.532 -13.704 1.00 0.00 C ATOM 0 H VAL B 81 2.757 -13.626 -11.236 1.00 0.00 H new ATOM 0 HA VAL B 81 4.571 -11.462 -12.097 1.00 0.00 H new ATOM 0 HB VAL B 81 3.103 -13.336 -13.953 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.264 -11.996 -15.702 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.192 -10.972 -14.718 1.00 0.00 H new ATOM 0 HG13 VAL B 81 4.949 -10.948 -14.437 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.392 -13.949 -14.699 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.080 -12.897 -13.440 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.150 -14.342 -12.980 1.00 0.00 H new ATOM 1256 N GLU B 82 2.620 -9.963 -12.178 1.00 0.00 N ATOM 1257 CA GLU B 82 1.511 -9.032 -12.036 1.00 0.00 C ATOM 1258 C GLU B 82 1.989 -7.648 -12.471 1.00 0.00 C ATOM 1259 O GLU B 82 3.193 -7.433 -12.558 1.00 0.00 O ATOM 1260 CB GLU B 82 1.084 -9.025 -10.562 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.137 -8.144 -10.287 1.00 0.00 C ATOM 1262 CD GLU B 82 -1.329 -8.548 -11.150 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -2.078 -9.452 -10.717 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.479 -7.948 -12.239 1.00 0.00 O ATOM 0 H GLU B 82 3.534 -9.512 -12.219 1.00 0.00 H new ATOM 0 HA GLU B 82 0.660 -9.321 -12.653 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.864 -10.046 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.918 -8.678 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.409 -8.217 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.115 -7.101 -10.480 1.00 0.00 H new ATOM 1271 N GLN B 83 1.088 -6.706 -12.746 1.00 0.00 N ATOM 1272 CA GLN B 83 1.517 -5.348 -13.041 1.00 0.00 C ATOM 1273 C GLN B 83 2.241 -4.811 -11.805 1.00 0.00 C ATOM 1274 O GLN B 83 1.769 -4.982 -10.682 1.00 0.00 O ATOM 1275 CB GLN B 83 0.298 -4.500 -13.422 1.00 0.00 C ATOM 1276 CG GLN B 83 0.525 -2.990 -13.311 1.00 0.00 C ATOM 1277 CD GLN B 83 1.532 -2.415 -14.296 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.526 -2.739 -15.481 1.00 0.00 O ATOM 1279 NE2 GLN B 83 2.407 -1.549 -13.788 1.00 0.00 N ATOM 0 H GLN B 83 0.079 -6.856 -12.770 1.00 0.00 H new ATOM 0 HA GLN B 83 2.202 -5.315 -13.888 1.00 0.00 H new ATOM 0 HB2 GLN B 83 0.009 -4.738 -14.446 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.539 -4.778 -12.782 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.429 -2.483 -13.454 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.859 -2.762 -12.299 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.372 -1.311 -12.797 1.00 0.00 H new ATOM 0 HE22 GLN B 83 3.112 -1.124 -14.390 1.00 0.00 H new ATOM 1288 N ALA B 84 3.387 -4.166 -12.012 1.00 0.00 N ATOM 1289 CA ALA B 84 4.240 -3.741 -10.918 1.00 0.00 C ATOM 1290 C ALA B 84 3.720 -2.476 -10.246 1.00 0.00 C ATOM 1291 O ALA B 84 2.970 -1.701 -10.846 1.00 0.00 O ATOM 1292 CB ALA B 84 5.657 -3.516 -11.438 1.00 0.00 C ATOM 0 H ALA B 84 3.743 -3.927 -12.937 1.00 0.00 H new ATOM 0 HA ALA B 84 4.241 -4.529 -10.165 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.299 -3.197 -10.617 1.00 0.00 H new ATOM 0 HB2 ALA B 84 6.042 -4.445 -11.860 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.644 -2.746 -12.209 1.00 0.00 H new ATOM 1298 N THR B 85 4.134 -2.275 -8.994 1.00 0.00 N ATOM 1299 CA THR B 85 3.871 -1.052 -8.253 1.00 0.00 C ATOM 1300 C THR B 85 5.187 -0.358 -7.941 1.00 0.00 C ATOM 1301 O THR B 85 6.264 -0.923 -8.131 1.00 0.00 O ATOM 1302 CB THR B 85 3.094 -1.315 -6.964 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.793 -2.234 -6.155 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.707 -1.879 -7.269 1.00 0.00 C ATOM 0 H THR B 85 4.666 -2.967 -8.466 1.00 0.00 H new ATOM 0 HA THR B 85 3.249 -0.409 -8.876 1.00 0.00 H new ATOM 0 HB THR B 85 2.986 -0.366 -6.439 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.288 -2.395 -5.331 1.00 0.00 H new ATOM 0 HG21 THR B 85 1.174 -2.058 -6.335 1.00 0.00 H new ATOM 0 HG22 THR B 85 1.149 -1.165 -7.875 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.808 -2.817 -7.815 1.00 0.00 H new