USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 MET CE :methyl -172:sc= -0.0144 (180deg=0) USER MOD Set 1.2: A 74 HIS : no HE2:sc= 0.407 K(o=0.39,f=-5!) USER MOD Set 2.1: A 16 ASN : amide:sc= 0.928 K(o=0.11,f=1.2) USER MOD Set 2.2: A 20 ASN : amide:sc= -0.817 K(o=0.11,f=1.2) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.945) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0622 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.797 K(o=0.8,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -32:sc= 1.04 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 151:sc= 1.22 USER MOD Single : A 57 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0029) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.451 K(o=0.45,f=-0.58) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 165:sc= -0.998 (180deg=-1.2) USER MOD Single : A 69 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.028) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 0.03 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.012) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.952 6.366 6.966 1.00 0.00 N ATOM 112 CA LYS A 9 10.907 7.746 6.448 1.00 0.00 C ATOM 113 C LYS A 9 9.763 7.836 5.432 1.00 0.00 C ATOM 114 O LYS A 9 9.564 6.921 4.635 1.00 0.00 O ATOM 115 CB LYS A 9 12.299 8.164 5.940 1.00 0.00 C ATOM 116 CG LYS A 9 12.431 9.688 5.758 1.00 0.00 C ATOM 117 CD LYS A 9 13.908 10.119 5.782 1.00 0.00 C ATOM 118 CE LYS A 9 14.041 11.646 5.894 1.00 0.00 C ATOM 119 NZ LYS A 9 15.389 12.051 6.373 1.00 0.00 N ATOM 0 HA LYS A 9 10.680 8.478 7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.057 7.819 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.498 7.670 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.977 9.986 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.886 10.201 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.414 9.645 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.405 9.774 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.850 12.099 4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.283 12.027 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.516 13.073 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.478 11.831 7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.117 11.532 5.841 1.00 0.00 H new ATOM 133 N LEU A 10 8.974 8.903 5.526 1.00 0.00 N ATOM 134 CA LEU A 10 7.666 8.962 4.872 1.00 0.00 C ATOM 135 C LEU A 10 7.451 10.244 4.073 1.00 0.00 C ATOM 136 O LEU A 10 7.845 11.310 4.528 1.00 0.00 O ATOM 137 CB LEU A 10 6.609 8.901 5.983 1.00 0.00 C ATOM 138 CG LEU A 10 5.924 7.564 6.130 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.823 6.364 6.366 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.733 7.612 7.081 1.00 0.00 C ATOM 0 H LEU A 10 9.218 9.743 6.051 1.00 0.00 H new ATOM 0 HA LEU A 10 7.596 8.134 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.083 9.157 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.853 9.662 5.789 1.00 0.00 H new ATOM 0 HG LEU A 10 5.535 7.378 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.214 5.465 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.511 6.255 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.391 6.510 7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.280 6.623 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.069 7.924 8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.997 8.324 6.707 1.00 0.00 H new ATOM 152 N PHE A 11 6.790 10.138 2.924 1.00 0.00 N ATOM 153 CA PHE A 11 6.518 11.236 2.000 1.00 0.00 C ATOM 154 C PHE A 11 5.038 11.655 2.129 1.00 0.00 C ATOM 155 O PHE A 11 4.142 10.838 1.905 1.00 0.00 O ATOM 156 CB PHE A 11 6.859 10.742 0.578 1.00 0.00 C ATOM 157 CG PHE A 11 6.411 11.566 -0.627 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.123 12.944 -0.544 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.294 10.921 -1.875 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.651 13.639 -1.668 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.868 11.629 -3.013 1.00 0.00 C ATOM 162 CZ PHE A 11 5.534 12.988 -2.904 1.00 0.00 C ATOM 0 H PHE A 11 6.413 9.248 2.597 1.00 0.00 H new ATOM 0 HA PHE A 11 7.123 12.114 2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.942 10.637 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.436 9.744 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.266 13.467 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.534 9.871 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.377 14.680 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.798 11.129 -3.968 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.187 13.531 -3.771 1.00 0.00 H new ATOM 172 N ILE A 12 4.816 12.935 2.482 1.00 0.00 N ATOM 173 CA ILE A 12 3.483 13.531 2.434 1.00 0.00 C ATOM 174 C ILE A 12 3.510 14.489 1.261 1.00 0.00 C ATOM 175 O ILE A 12 4.462 15.257 1.066 1.00 0.00 O ATOM 176 CB ILE A 12 3.101 14.253 3.747 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.259 13.333 4.638 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.248 15.533 3.589 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.762 11.909 4.862 1.00 0.00 C ATOM 0 H ILE A 12 5.547 13.570 2.802 1.00 0.00 H new ATOM 0 HA ILE A 12 2.722 12.760 2.314 1.00 0.00 H new ATOM 0 HB ILE A 12 4.070 14.524 4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.158 13.810 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.259 13.272 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.040 15.955 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.793 16.262 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.309 15.286 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.067 11.376 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.833 11.393 3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.745 11.940 5.331 1.00 0.00 H new ATOM 191 N GLY A 13 2.444 14.417 0.482 1.00 0.00 N ATOM 192 CA GLY A 13 2.284 15.178 -0.725 1.00 0.00 C ATOM 193 C GLY A 13 1.148 16.172 -0.607 1.00 0.00 C ATOM 194 O GLY A 13 0.022 15.769 -0.285 1.00 0.00 O ATOM 0 H GLY A 13 1.651 13.809 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.210 15.707 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.093 14.503 -1.559 1.00 0.00 H new ATOM 198 N GLY A 14 1.527 17.424 -0.912 1.00 0.00 N ATOM 199 CA GLY A 14 0.571 18.544 -1.011 1.00 0.00 C ATOM 200 C GLY A 14 1.239 19.890 -0.860 1.00 0.00 C ATOM 201 O GLY A 14 1.612 20.524 -1.851 1.00 0.00 O ATOM 0 H GLY A 14 2.495 17.689 -1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.063 18.500 -1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.194 18.433 -0.242 1.00 0.00 H new ATOM 205 N LEU A 15 1.405 20.271 0.388 1.00 0.00 N ATOM 206 CA LEU A 15 2.425 21.251 0.741 1.00 0.00 C ATOM 207 C LEU A 15 2.536 22.728 0.376 1.00 0.00 C ATOM 208 O LEU A 15 2.094 23.254 -0.638 1.00 0.00 O ATOM 209 CB LEU A 15 3.804 20.607 0.463 1.00 0.00 C ATOM 210 CG LEU A 15 4.312 19.620 1.503 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.751 19.857 2.880 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.790 18.262 1.145 1.00 0.00 C ATOM 0 H LEU A 15 0.855 19.924 1.174 1.00 0.00 H new ATOM 0 HA LEU A 15 2.026 21.432 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.754 20.095 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.539 21.405 0.362 1.00 0.00 H new ATOM 0 HG LEU A 15 5.397 19.723 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.156 19.117 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.025 20.856 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.665 19.769 2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.140 17.533 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.700 18.280 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.150 17.984 0.154 1.00 0.00 H new ATOM 224 N ASN A 16 3.306 23.284 1.322 1.00 0.00 N ATOM 225 CA ASN A 16 4.101 24.498 1.512 1.00 0.00 C ATOM 226 C ASN A 16 3.629 25.830 0.961 1.00 0.00 C ATOM 227 O ASN A 16 3.716 26.874 1.606 1.00 0.00 O ATOM 228 CB ASN A 16 5.399 24.208 0.795 1.00 0.00 C ATOM 229 CG ASN A 16 6.452 25.309 0.855 1.00 0.00 C ATOM 230 OD1 ASN A 16 7.032 25.592 1.890 1.00 0.00 O ATOM 231 ND2 ASN A 16 6.732 25.957 -0.252 1.00 0.00 N ATOM 0 H ASN A 16 3.398 22.743 2.182 1.00 0.00 H new ATOM 0 HA ASN A 16 4.096 24.658 2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.828 23.298 1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.176 24.002 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.434 26.697 -0.246 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.247 25.721 -1.118 1.00 0.00 H new ATOM 238 N ARG A 17 3.146 25.744 -0.278 1.00 0.00 N ATOM 239 CA ARG A 17 2.478 26.784 -1.041 1.00 0.00 C ATOM 240 C ARG A 17 1.227 27.267 -0.298 1.00 0.00 C ATOM 241 O ARG A 17 0.634 28.290 -0.637 1.00 0.00 O ATOM 242 CB ARG A 17 2.225 26.260 -2.472 1.00 0.00 C ATOM 243 CG ARG A 17 3.425 25.541 -3.133 1.00 0.00 C ATOM 244 CD ARG A 17 3.060 24.607 -4.297 1.00 0.00 C ATOM 245 NE ARG A 17 2.151 23.505 -3.931 1.00 0.00 N ATOM 246 CZ ARG A 17 0.836 23.438 -3.987 1.00 0.00 C ATOM 247 NH1 ARG A 17 0.092 24.413 -4.431 1.00 0.00 N ATOM 248 NH2 ARG A 17 0.248 22.353 -3.588 1.00 0.00 N ATOM 0 H ARG A 17 3.220 24.877 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 17 3.102 27.672 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.380 25.572 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.933 27.100 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.125 26.293 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.947 24.961 -2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.597 25.196 -5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.976 24.184 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 17 2.611 22.665 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.525 25.278 -4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.923 24.311 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.802 21.571 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.769 22.281 -3.623 1.00 0.00 H new ATOM 262 N GLU A 18 0.903 26.538 0.772 1.00 0.00 N ATOM 263 CA GLU A 18 -0.058 26.877 1.799 1.00 0.00 C ATOM 264 C GLU A 18 0.423 26.527 3.227 1.00 0.00 C ATOM 265 O GLU A 18 0.262 27.357 4.129 1.00 0.00 O ATOM 266 CB GLU A 18 -1.309 26.111 1.403 1.00 0.00 C ATOM 267 CG GLU A 18 -2.363 26.079 2.490 1.00 0.00 C ATOM 268 CD GLU A 18 -3.688 25.597 1.899 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.650 24.668 1.057 1.00 0.00 O ATOM 270 OE2 GLU A 18 -4.760 26.119 2.286 1.00 0.00 O ATOM 0 H GLU A 18 1.341 25.634 0.947 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.227 27.952 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.735 26.563 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.034 25.089 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.049 25.416 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.485 27.072 2.923 1.00 0.00 H new ATOM 277 N THR A 19 0.997 25.333 3.461 1.00 0.00 N ATOM 278 CA THR A 19 1.302 24.870 4.858 1.00 0.00 C ATOM 279 C THR A 19 2.510 23.925 5.062 1.00 0.00 C ATOM 280 O THR A 19 3.043 23.380 4.100 1.00 0.00 O ATOM 281 CB THR A 19 0.029 24.399 5.581 1.00 0.00 C ATOM 282 OG1 THR A 19 0.215 24.459 6.979 1.00 0.00 O ATOM 283 CG2 THR A 19 -0.351 22.969 5.251 1.00 0.00 C ATOM 0 H THR A 19 1.260 24.673 2.730 1.00 0.00 H new ATOM 0 HA THR A 19 1.673 25.773 5.344 1.00 0.00 H new ATOM 0 HB THR A 19 -0.765 25.065 5.242 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.601 24.159 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.257 22.699 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.529 22.878 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.459 22.301 5.543 1.00 0.00 H new ATOM 291 N ASN A 20 2.930 23.678 6.316 1.00 0.00 N ATOM 292 CA ASN A 20 4.301 23.166 6.587 1.00 0.00 C ATOM 293 C ASN A 20 4.442 22.331 7.874 1.00 0.00 C ATOM 294 O ASN A 20 3.547 21.548 8.151 1.00 0.00 O ATOM 295 CB ASN A 20 5.274 24.382 6.602 1.00 0.00 C ATOM 296 CG ASN A 20 5.385 25.152 5.300 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.657 26.095 5.029 1.00 0.00 O ATOM 298 ND2 ASN A 20 6.341 24.790 4.476 1.00 0.00 N ATOM 0 H ASN A 20 2.358 23.819 7.149 1.00 0.00 H new ATOM 0 HA ASN A 20 4.547 22.465 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.953 25.071 7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.267 24.026 6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.480 25.297 3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.944 24.002 4.710 1.00 0.00 H new ATOM 305 N GLU A 21 5.545 22.465 8.644 1.00 0.00 N ATOM 306 CA GLU A 21 5.792 21.653 9.873 1.00 0.00 C ATOM 307 C GLU A 21 4.588 21.419 10.809 1.00 0.00 C ATOM 308 O GLU A 21 4.536 20.423 11.549 1.00 0.00 O ATOM 309 CB GLU A 21 6.940 22.331 10.652 1.00 0.00 C ATOM 310 CG GLU A 21 7.228 21.738 12.041 1.00 0.00 C ATOM 311 CD GLU A 21 8.477 22.377 12.675 1.00 0.00 C ATOM 312 OE1 GLU A 21 8.363 23.482 13.261 1.00 0.00 O ATOM 313 OE2 GLU A 21 9.577 21.779 12.603 1.00 0.00 O ATOM 0 H GLU A 21 6.289 23.132 8.439 1.00 0.00 H new ATOM 0 HA GLU A 21 6.036 20.649 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.849 22.271 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.704 23.389 10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.367 21.895 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.371 20.661 11.956 1.00 0.00 H new ATOM 320 N LYS A 22 3.635 22.357 10.711 1.00 0.00 N ATOM 321 CA LYS A 22 2.485 22.313 11.601 1.00 0.00 C ATOM 322 C LYS A 22 1.698 21.088 11.205 1.00 0.00 C ATOM 323 O LYS A 22 1.490 20.148 11.972 1.00 0.00 O ATOM 324 CB LYS A 22 1.701 23.611 11.392 1.00 0.00 C ATOM 325 CG LYS A 22 0.431 23.614 12.239 1.00 0.00 C ATOM 326 CD LYS A 22 0.666 24.022 13.694 1.00 0.00 C ATOM 327 CE LYS A 22 1.031 25.502 13.837 1.00 0.00 C ATOM 328 NZ LYS A 22 -0.134 26.411 13.654 1.00 0.00 N ATOM 0 H LYS A 22 3.641 23.129 10.044 1.00 0.00 H new ATOM 0 HA LYS A 22 2.740 22.244 12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.324 24.465 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.442 23.720 10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.292 24.296 11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.013 22.619 12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.232 23.815 14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.465 23.412 14.114 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.464 25.670 14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.799 25.753 13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.175 27.398 13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.534 26.276 12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.858 26.195 14.368 1.00 0.00 H new ATOM 342 N MET A 23 1.342 21.171 9.920 1.00 0.00 N ATOM 343 CA MET A 23 0.676 20.108 9.246 1.00 0.00 C ATOM 344 C MET A 23 1.512 18.815 9.375 1.00 0.00 C ATOM 345 O MET A 23 0.930 17.761 9.505 1.00 0.00 O ATOM 346 CB MET A 23 0.491 20.622 7.792 1.00 0.00 C ATOM 347 CG MET A 23 1.336 19.799 6.838 1.00 0.00 C ATOM 348 SD MET A 23 1.252 19.956 5.050 1.00 0.00 S ATOM 349 CE MET A 23 -0.257 19.016 4.828 1.00 0.00 C ATOM 0 H MET A 23 1.518 21.989 9.337 1.00 0.00 H new ATOM 0 HA MET A 23 -0.297 19.845 9.661 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.559 20.560 7.507 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.776 21.672 7.730 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.375 19.981 7.113 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.125 18.754 7.064 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.434 18.857 3.764 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.162 18.052 5.328 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.095 19.566 5.257 1.00 0.00 H new ATOM 359 N LEU A 24 2.842 18.859 9.192 1.00 0.00 N ATOM 360 CA LEU A 24 3.679 17.647 9.246 1.00 0.00 C ATOM 361 C LEU A 24 3.510 16.884 10.563 1.00 0.00 C ATOM 362 O LEU A 24 2.935 15.794 10.584 1.00 0.00 O ATOM 363 CB LEU A 24 5.152 17.953 8.954 1.00 0.00 C ATOM 364 CG LEU A 24 5.550 17.929 7.471 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.276 19.250 6.785 1.00 0.00 C ATOM 366 CD2 LEU A 24 7.039 17.646 7.350 1.00 0.00 C ATOM 0 H LEU A 24 3.360 19.718 9.006 1.00 0.00 H new ATOM 0 HA LEU A 24 3.324 16.990 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.388 18.937 9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.768 17.231 9.490 1.00 0.00 H new ATOM 0 HG LEU A 24 4.954 17.152 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.573 19.185 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.212 19.478 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.845 20.040 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.322 17.629 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.601 18.426 7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.264 16.680 7.802 1.00 0.00 H new ATOM 378 N LYS A 25 3.977 17.457 11.680 1.00 0.00 N ATOM 379 CA LYS A 25 3.847 16.812 12.990 1.00 0.00 C ATOM 380 C LYS A 25 2.406 16.461 13.310 1.00 0.00 C ATOM 381 O LYS A 25 2.178 15.405 13.884 1.00 0.00 O ATOM 382 CB LYS A 25 4.416 17.699 14.085 1.00 0.00 C ATOM 383 CG LYS A 25 5.954 17.822 13.951 1.00 0.00 C ATOM 384 CD LYS A 25 6.719 17.367 15.199 1.00 0.00 C ATOM 385 CE LYS A 25 6.876 15.836 15.284 1.00 0.00 C ATOM 386 NZ LYS A 25 7.363 15.398 16.624 1.00 0.00 N ATOM 0 H LYS A 25 4.446 18.362 11.702 1.00 0.00 H new ATOM 0 HA LYS A 25 4.417 15.884 12.946 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.962 18.688 14.030 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.164 17.286 15.062 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.284 17.230 13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.209 18.860 13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.706 17.829 15.202 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.198 17.723 16.088 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.918 15.361 15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.574 15.500 14.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.455 14.362 16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.289 15.830 16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.685 15.696 17.354 1.00 0.00 H new ATOM 400 N ALA A 26 1.454 17.289 12.881 1.00 0.00 N ATOM 401 CA ALA A 26 0.047 16.942 12.944 1.00 0.00 C ATOM 402 C ALA A 26 -0.250 15.595 12.229 1.00 0.00 C ATOM 403 O ALA A 26 -0.439 14.534 12.842 1.00 0.00 O ATOM 404 CB ALA A 26 -0.726 18.132 12.324 1.00 0.00 C ATOM 0 H ALA A 26 1.641 18.210 12.484 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.272 16.782 13.974 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.795 17.922 12.346 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.522 19.037 12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.406 18.276 11.292 1.00 0.00 H new ATOM 410 N VAL A 27 -0.205 15.681 10.898 1.00 0.00 N ATOM 411 CA VAL A 27 -0.633 14.596 10.003 1.00 0.00 C ATOM 412 C VAL A 27 0.012 13.274 10.344 1.00 0.00 C ATOM 413 O VAL A 27 -0.654 12.273 10.585 1.00 0.00 O ATOM 414 CB VAL A 27 -0.227 15.012 8.564 1.00 0.00 C ATOM 415 CG1 VAL A 27 0.045 13.969 7.491 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.239 15.967 8.017 1.00 0.00 C ATOM 0 H VAL A 27 0.131 16.508 10.405 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.709 14.453 10.105 1.00 0.00 H new ATOM 0 HB VAL A 27 0.765 15.423 8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.313 14.467 6.559 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.866 13.326 7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.849 13.365 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.954 16.259 7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.217 15.487 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.284 16.852 8.652 1.00 0.00 H new ATOM 426 N PHE A 28 1.330 13.276 10.298 1.00 0.00 N ATOM 427 CA PHE A 28 2.155 12.158 10.677 1.00 0.00 C ATOM 428 C PHE A 28 2.054 11.749 12.139 1.00 0.00 C ATOM 429 O PHE A 28 1.840 10.578 12.457 1.00 0.00 O ATOM 430 CB PHE A 28 3.579 12.502 10.255 1.00 0.00 C ATOM 431 CG PHE A 28 3.908 12.694 8.776 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.682 13.934 8.142 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.687 11.736 8.105 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.341 14.271 6.952 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.353 12.081 6.917 1.00 0.00 C ATOM 436 CZ PHE A 28 5.222 13.360 6.361 1.00 0.00 C ATOM 0 H PHE A 28 1.868 14.084 9.985 1.00 0.00 H new ATOM 0 HA PHE A 28 1.796 11.265 10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.858 13.420 10.772 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.229 11.713 10.633 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.989 14.636 8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.774 10.735 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.169 15.233 6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.976 11.349 6.425 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.793 13.639 5.488 1.00 0.00 H new ATOM 446 N GLY A 29 2.251 12.704 13.046 1.00 0.00 N ATOM 447 CA GLY A 29 2.102 12.430 14.466 1.00 0.00 C ATOM 448 C GLY A 29 0.767 11.861 14.883 1.00 0.00 C ATOM 449 O GLY A 29 0.672 11.369 16.011 1.00 0.00 O ATOM 0 H GLY A 29 2.512 13.664 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.884 11.733 14.768 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.270 13.356 15.016 1.00 0.00 H new ATOM 453 N LYS A 30 -0.266 11.922 14.024 1.00 0.00 N ATOM 454 CA LYS A 30 -1.570 11.299 14.335 1.00 0.00 C ATOM 455 C LYS A 30 -1.439 9.876 14.881 1.00 0.00 C ATOM 456 O LYS A 30 -2.167 9.467 15.792 1.00 0.00 O ATOM 457 CB LYS A 30 -2.505 11.256 13.126 1.00 0.00 C ATOM 458 CG LYS A 30 -3.206 12.597 13.109 1.00 0.00 C ATOM 459 CD LYS A 30 -4.159 12.848 11.947 1.00 0.00 C ATOM 460 CE LYS A 30 -4.657 14.287 12.088 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.833 14.399 12.995 1.00 0.00 N ATOM 0 H LYS A 30 -0.227 12.390 13.119 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.996 11.941 15.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.947 11.093 12.204 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.222 10.440 13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.765 12.702 14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.447 13.379 13.104 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.651 12.706 10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.993 12.146 11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.849 14.912 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.923 14.674 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.131 15.394 13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.616 13.825 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.575 14.056 13.942 1.00 0.00 H new ATOM 475 N HIS A 31 -0.482 9.163 14.290 1.00 0.00 N ATOM 476 CA HIS A 31 -0.221 7.757 14.638 1.00 0.00 C ATOM 477 C HIS A 31 1.262 7.378 14.888 1.00 0.00 C ATOM 478 O HIS A 31 1.565 6.180 14.936 1.00 0.00 O ATOM 479 CB HIS A 31 -0.926 6.863 13.588 1.00 0.00 C ATOM 480 CG HIS A 31 -2.278 6.335 14.012 1.00 0.00 C ATOM 481 ND1 HIS A 31 -3.143 6.910 14.916 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.890 5.204 13.541 1.00 0.00 C ATOM 483 CE1 HIS A 31 -4.246 6.147 14.994 1.00 0.00 C ATOM 484 NE2 HIS A 31 -4.136 5.084 14.176 1.00 0.00 N ATOM 0 H HIS A 31 0.131 9.533 13.564 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.646 7.582 15.626 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.047 7.434 12.667 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.278 6.018 13.356 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.975 7.770 15.438 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.484 4.523 12.808 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -5.099 6.357 15.623 1.00 0.00 H new ATOM 492 N GLY A 32 2.199 8.317 15.121 1.00 0.00 N ATOM 493 CA GLY A 32 3.550 7.964 15.547 1.00 0.00 C ATOM 494 C GLY A 32 4.322 9.081 16.274 1.00 0.00 C ATOM 495 O GLY A 32 3.798 10.178 16.473 1.00 0.00 O ATOM 0 H GLY A 32 2.038 9.319 15.020 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.491 7.097 16.205 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.122 7.660 14.670 1.00 0.00 H new ATOM 499 N PRO A 33 5.571 8.794 16.686 1.00 0.00 N ATOM 500 CA PRO A 33 6.443 9.682 17.454 1.00 0.00 C ATOM 501 C PRO A 33 7.064 10.850 16.655 1.00 0.00 C ATOM 502 O PRO A 33 6.808 12.012 16.984 1.00 0.00 O ATOM 503 CB PRO A 33 7.528 8.750 18.029 1.00 0.00 C ATOM 504 CG PRO A 33 7.580 7.571 17.049 1.00 0.00 C ATOM 505 CD PRO A 33 6.124 7.461 16.615 1.00 0.00 C ATOM 0 HA PRO A 33 5.863 10.202 18.216 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.492 9.255 18.094 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.274 8.418 19.036 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.244 7.768 16.207 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.934 6.658 17.527 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.050 7.064 15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.576 6.779 17.265 1.00 0.00 H new ATOM 513 N ILE A 34 7.918 10.539 15.660 1.00 0.00 N ATOM 514 CA ILE A 34 8.514 11.558 14.765 1.00 0.00 C ATOM 515 C ILE A 34 9.859 12.120 15.289 1.00 0.00 C ATOM 516 O ILE A 34 9.894 12.897 16.244 1.00 0.00 O ATOM 517 CB ILE A 34 7.546 12.561 14.089 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.536 11.906 13.137 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.386 13.547 13.262 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.338 11.348 13.884 1.00 0.00 C ATOM 0 H ILE A 34 8.214 9.585 15.453 1.00 0.00 H new ATOM 0 HA ILE A 34 8.793 10.992 13.876 1.00 0.00 H new ATOM 0 HB ILE A 34 6.978 13.039 14.887 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.198 12.639 12.405 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.025 11.104 12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.728 14.266 12.774 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.078 14.075 13.918 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.949 13.000 12.506 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.647 10.893 13.175 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.673 10.596 14.598 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.833 12.154 14.416 1.00 0.00 H new ATOM 532 N SER A 35 10.961 11.682 14.675 1.00 0.00 N ATOM 533 CA SER A 35 12.367 11.941 14.999 1.00 0.00 C ATOM 534 C SER A 35 13.042 12.885 13.983 1.00 0.00 C ATOM 535 O SER A 35 14.090 13.458 14.285 1.00 0.00 O ATOM 536 CB SER A 35 13.090 10.589 14.977 1.00 0.00 C ATOM 537 OG SER A 35 14.248 10.582 15.791 1.00 0.00 O ATOM 0 H SER A 35 10.883 11.077 13.857 1.00 0.00 H new ATOM 0 HA SER A 35 12.421 12.427 15.973 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.407 9.810 15.315 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.369 10.346 13.952 1.00 0.00 H new ATOM 0 HG SER A 35 14.674 9.700 15.746 1.00 0.00 H new ATOM 543 N GLU A 36 12.432 13.091 12.802 1.00 0.00 N ATOM 544 CA GLU A 36 12.904 14.122 11.852 1.00 0.00 C ATOM 545 C GLU A 36 11.754 14.735 11.058 1.00 0.00 C ATOM 546 O GLU A 36 10.808 14.026 10.726 1.00 0.00 O ATOM 547 CB GLU A 36 13.842 13.585 10.761 1.00 0.00 C ATOM 548 CG GLU A 36 15.212 13.066 11.178 1.00 0.00 C ATOM 549 CD GLU A 36 16.047 12.843 9.898 1.00 0.00 C ATOM 550 OE1 GLU A 36 15.765 11.872 9.149 1.00 0.00 O ATOM 551 OE2 GLU A 36 16.910 13.694 9.573 1.00 0.00 O ATOM 0 H GLU A 36 11.619 12.565 12.482 1.00 0.00 H new ATOM 0 HA GLU A 36 13.414 14.834 12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.323 12.777 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.996 14.382 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.706 13.781 11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.113 12.135 11.736 1.00 0.00 H new ATOM 558 N VAL A 37 11.885 16.013 10.679 1.00 0.00 N ATOM 559 CA VAL A 37 10.856 16.804 9.983 1.00 0.00 C ATOM 560 C VAL A 37 11.477 17.598 8.822 1.00 0.00 C ATOM 561 O VAL A 37 12.397 18.390 9.039 1.00 0.00 O ATOM 562 CB VAL A 37 10.151 17.740 10.991 1.00 0.00 C ATOM 563 CG1 VAL A 37 8.916 18.381 10.357 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.691 17.000 12.258 1.00 0.00 C ATOM 0 H VAL A 37 12.738 16.544 10.853 1.00 0.00 H new ATOM 0 HA VAL A 37 10.112 16.131 9.558 1.00 0.00 H new ATOM 0 HB VAL A 37 10.887 18.495 11.266 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.433 19.036 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.215 18.963 9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.218 17.602 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.202 17.703 12.933 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.989 16.212 11.985 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.555 16.560 12.756 1.00 0.00 H new ATOM 574 N LEU A 38 11.009 17.367 7.589 1.00 0.00 N ATOM 575 CA LEU A 38 11.609 17.862 6.339 1.00 0.00 C ATOM 576 C LEU A 38 10.591 18.441 5.341 1.00 0.00 C ATOM 577 O LEU A 38 9.563 17.820 5.080 1.00 0.00 O ATOM 578 CB LEU A 38 12.359 16.720 5.641 1.00 0.00 C ATOM 579 CG LEU A 38 13.273 17.165 4.488 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.454 17.987 4.971 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.914 15.965 3.815 1.00 0.00 C ATOM 0 H LEU A 38 10.171 16.809 7.426 1.00 0.00 H new ATOM 0 HA LEU A 38 12.277 18.672 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.961 16.192 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.631 16.007 5.255 1.00 0.00 H new ATOM 0 HG LEU A 38 12.628 17.739 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.069 18.277 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.092 18.881 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.051 17.394 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.556 16.304 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.510 15.415 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.137 15.314 3.416 1.00 0.00 H new ATOM 593 N LEU A 39 10.905 19.591 4.740 1.00 0.00 N ATOM 594 CA LEU A 39 10.179 20.167 3.593 1.00 0.00 C ATOM 595 C LEU A 39 11.152 20.302 2.405 1.00 0.00 C ATOM 596 O LEU A 39 12.280 20.764 2.595 1.00 0.00 O ATOM 597 CB LEU A 39 9.586 21.553 3.940 1.00 0.00 C ATOM 598 CG LEU A 39 8.290 21.643 4.767 1.00 0.00 C ATOM 599 CD1 LEU A 39 7.089 21.035 4.039 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.390 21.059 6.173 1.00 0.00 C ATOM 0 H LEU A 39 11.691 20.167 5.042 1.00 0.00 H new ATOM 0 HA LEU A 39 9.353 19.505 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.354 22.111 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.410 22.076 3.000 1.00 0.00 H new ATOM 0 HG LEU A 39 8.134 22.715 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.201 21.124 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.926 21.565 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.283 19.983 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.431 21.166 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.651 20.003 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.159 21.590 6.734 1.00 0.00 H new ATOM 612 N ILE A 40 10.729 19.911 1.195 1.00 0.00 N ATOM 613 CA ILE A 40 11.622 19.859 0.034 1.00 0.00 C ATOM 614 C ILE A 40 11.284 21.018 -0.913 1.00 0.00 C ATOM 615 O ILE A 40 10.097 21.191 -1.221 1.00 0.00 O ATOM 616 CB ILE A 40 11.436 18.513 -0.690 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.643 17.264 0.199 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.381 18.465 -1.896 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.036 17.101 0.796 1.00 0.00 C ATOM 0 H ILE A 40 9.770 19.626 0.997 1.00 0.00 H new ATOM 0 HA ILE A 40 12.659 19.950 0.356 1.00 0.00 H new ATOM 0 HB ILE A 40 10.392 18.470 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.920 17.297 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.416 16.378 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.258 17.515 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.146 19.285 -2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.412 18.561 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.069 16.194 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.770 17.029 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.267 17.963 1.422 1.00 0.00 H new ATOM 631 N LYS A 41 12.361 21.719 -1.333 1.00 0.00 N ATOM 632 CA LYS A 41 12.273 22.944 -2.158 1.00 0.00 C ATOM 633 C LYS A 41 13.234 22.827 -3.374 1.00 0.00 C ATOM 634 O LYS A 41 13.297 21.780 -4.015 1.00 0.00 O ATOM 635 CB LYS A 41 12.561 24.182 -1.266 1.00 0.00 C ATOM 636 CG LYS A 41 11.822 24.204 0.085 1.00 0.00 C ATOM 637 CD LYS A 41 11.944 25.567 0.780 1.00 0.00 C ATOM 638 CE LYS A 41 11.202 25.527 2.121 1.00 0.00 C ATOM 639 NZ LYS A 41 11.293 26.830 2.832 1.00 0.00 N ATOM 0 H LYS A 41 13.319 21.450 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 41 11.269 23.067 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.633 24.231 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.294 25.081 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.769 23.970 -0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.228 23.428 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.994 25.812 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.527 26.349 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.155 25.276 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.621 24.739 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.781 26.769 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.291 27.057 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.870 27.577 2.244 1.00 0.00 H new ATOM 653 N ASP A 42 13.960 23.898 -3.702 1.00 0.00 N ATOM 654 CA ASP A 42 14.780 24.124 -4.914 1.00 0.00 C ATOM 655 C ASP A 42 15.663 25.366 -4.650 1.00 0.00 C ATOM 656 O ASP A 42 15.154 26.312 -4.065 1.00 0.00 O ATOM 657 CB ASP A 42 13.902 24.347 -6.160 1.00 0.00 C ATOM 658 CG ASP A 42 12.620 25.208 -6.019 1.00 0.00 C ATOM 659 OD1 ASP A 42 11.932 25.146 -4.973 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.303 25.975 -6.957 1.00 0.00 O ATOM 0 H ASP A 42 13.999 24.704 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 42 15.392 23.244 -5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.526 24.805 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.604 23.368 -6.535 1.00 0.00 H new ATOM 665 N ARG A 43 16.956 25.424 -5.017 1.00 0.00 N ATOM 666 CA ARG A 43 18.005 26.435 -4.634 1.00 0.00 C ATOM 667 C ARG A 43 18.232 26.633 -3.132 1.00 0.00 C ATOM 668 O ARG A 43 19.256 27.214 -2.798 1.00 0.00 O ATOM 669 CB ARG A 43 17.688 27.827 -5.281 1.00 0.00 C ATOM 670 CG ARG A 43 17.844 29.139 -4.460 1.00 0.00 C ATOM 671 CD ARG A 43 17.276 30.407 -5.133 1.00 0.00 C ATOM 672 NE ARG A 43 16.967 31.454 -4.132 1.00 0.00 N ATOM 673 CZ ARG A 43 15.941 32.290 -4.135 1.00 0.00 C ATOM 674 NH1 ARG A 43 15.010 32.270 -5.042 1.00 0.00 N ATOM 675 NH2 ARG A 43 15.831 33.199 -3.221 1.00 0.00 N ATOM 0 H ARG A 43 17.344 24.715 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 43 18.930 26.008 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.322 27.923 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.657 27.790 -5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 43 17.351 29.007 -3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 43 18.903 29.298 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 43 17.996 30.792 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.373 30.153 -5.688 1.00 0.00 H new ATOM 0 HE ARG A 43 17.619 31.541 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.049 31.587 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.240 32.938 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.538 33.276 -2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.037 33.839 -3.231 1.00 0.00 H new ATOM 689 N THR A 44 17.384 26.016 -2.297 1.00 0.00 N ATOM 690 CA THR A 44 17.239 26.413 -0.873 1.00 0.00 C ATOM 691 C THR A 44 16.136 27.493 -0.735 1.00 0.00 C ATOM 692 O THR A 44 15.851 27.870 0.399 1.00 0.00 O ATOM 693 CB THR A 44 18.535 26.782 -0.110 1.00 0.00 C ATOM 694 OG1 THR A 44 18.419 26.404 1.247 1.00 0.00 O ATOM 695 CG2 THR A 44 18.883 28.276 -0.151 1.00 0.00 C ATOM 0 H THR A 44 16.784 25.239 -2.575 1.00 0.00 H new ATOM 0 HA THR A 44 16.935 25.501 -0.359 1.00 0.00 H new ATOM 0 HB THR A 44 19.334 26.242 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.243 26.639 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.803 28.451 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.020 28.589 -1.186 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.073 28.851 0.298 1.00 0.00 H new ATOM 703 N SER A 45 15.526 27.879 -1.890 1.00 0.00 N ATOM 704 CA SER A 45 14.269 28.670 -1.938 1.00 0.00 C ATOM 705 C SER A 45 13.825 29.295 -3.310 1.00 0.00 C ATOM 706 O SER A 45 13.167 30.339 -3.291 1.00 0.00 O ATOM 707 CB SER A 45 13.956 29.558 -0.703 1.00 0.00 C ATOM 708 OG SER A 45 12.684 30.182 -0.714 1.00 0.00 O ATOM 0 H SER A 45 15.894 27.649 -2.813 1.00 0.00 H new ATOM 0 HA SER A 45 13.576 27.833 -1.851 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.034 28.944 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.721 30.331 -0.628 1.00 0.00 H new ATOM 0 HG SER A 45 12.424 30.379 -1.638 1.00 0.00 H new ATOM 714 N LYS A 46 14.128 28.782 -4.536 1.00 0.00 N ATOM 715 CA LYS A 46 13.265 29.108 -5.720 1.00 0.00 C ATOM 716 C LYS A 46 11.760 28.814 -5.336 1.00 0.00 C ATOM 717 O LYS A 46 10.875 29.564 -5.753 1.00 0.00 O ATOM 718 CB LYS A 46 13.718 28.699 -7.149 1.00 0.00 C ATOM 719 CG LYS A 46 14.780 27.646 -7.554 1.00 0.00 C ATOM 720 CD LYS A 46 15.985 28.255 -8.318 1.00 0.00 C ATOM 721 CE LYS A 46 16.735 27.294 -9.269 1.00 0.00 C ATOM 722 NZ LYS A 46 18.032 26.776 -8.748 1.00 0.00 N ATOM 0 H LYS A 46 14.921 28.171 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 46 13.402 30.174 -5.899 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.805 28.390 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.046 29.627 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.143 27.143 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.309 26.886 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.630 29.106 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.696 28.641 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.086 26.447 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.919 27.810 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.461 26.142 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.675 27.572 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.867 26.252 -7.865 1.00 0.00 H new ATOM 736 N SER A 47 11.534 27.818 -4.443 1.00 0.00 N ATOM 737 CA SER A 47 10.280 27.692 -3.670 1.00 0.00 C ATOM 738 C SER A 47 9.121 26.867 -4.237 1.00 0.00 C ATOM 739 O SER A 47 8.219 27.369 -4.916 1.00 0.00 O ATOM 740 CB SER A 47 9.816 28.993 -3.005 1.00 0.00 C ATOM 741 OG SER A 47 8.979 28.677 -1.902 1.00 0.00 O ATOM 0 H SER A 47 12.214 27.085 -4.242 1.00 0.00 H new ATOM 0 HA SER A 47 10.639 27.021 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.677 29.572 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.276 29.610 -3.723 1.00 0.00 H new ATOM 0 HG SER A 47 8.680 29.505 -1.471 1.00 0.00 H new ATOM 747 N ARG A 48 9.141 25.574 -3.881 1.00 0.00 N ATOM 748 CA ARG A 48 8.115 24.555 -4.021 1.00 0.00 C ATOM 749 C ARG A 48 8.252 23.671 -2.774 1.00 0.00 C ATOM 750 O ARG A 48 9.156 23.867 -1.965 1.00 0.00 O ATOM 751 CB ARG A 48 8.326 23.903 -5.393 1.00 0.00 C ATOM 752 CG ARG A 48 7.729 22.522 -5.684 1.00 0.00 C ATOM 753 CD ARG A 48 8.588 21.272 -5.458 1.00 0.00 C ATOM 754 NE ARG A 48 8.108 20.121 -6.262 1.00 0.00 N ATOM 755 CZ ARG A 48 8.039 20.030 -7.583 1.00 0.00 C ATOM 756 NH1 ARG A 48 8.441 20.985 -8.370 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.567 18.978 -8.176 1.00 0.00 N ATOM 0 H ARG A 48 9.974 25.184 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 48 7.077 24.888 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.934 24.590 -6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.401 23.833 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.831 22.418 -5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.409 22.516 -6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.624 21.491 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.574 21.008 -4.401 1.00 0.00 H new ATOM 0 HE ARG A 48 7.795 19.304 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.826 21.843 -7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.371 20.876 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.234 18.187 -7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.528 18.941 -9.195 1.00 0.00 H new ATOM 771 N GLY A 49 7.258 22.840 -2.530 1.00 0.00 N ATOM 772 CA GLY A 49 7.084 22.086 -1.286 1.00 0.00 C ATOM 773 C GLY A 49 6.700 20.621 -1.377 1.00 0.00 C ATOM 774 O GLY A 49 5.687 20.301 -1.993 1.00 0.00 O ATOM 0 H GLY A 49 6.520 22.659 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.017 22.150 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.321 22.593 -0.695 1.00 0.00 H new ATOM 778 N PHE A 50 7.502 19.746 -0.773 1.00 0.00 N ATOM 779 CA PHE A 50 7.078 18.350 -0.469 1.00 0.00 C ATOM 780 C PHE A 50 7.606 17.779 0.849 1.00 0.00 C ATOM 781 O PHE A 50 8.709 18.126 1.230 1.00 0.00 O ATOM 782 CB PHE A 50 7.035 17.453 -1.668 1.00 0.00 C ATOM 783 CG PHE A 50 8.280 17.058 -2.344 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.878 17.958 -3.234 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.688 15.732 -2.235 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.954 17.532 -4.020 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.814 15.330 -2.958 1.00 0.00 C ATOM 788 CZ PHE A 50 10.414 16.214 -3.873 1.00 0.00 C ATOM 0 H PHE A 50 8.454 19.965 -0.478 1.00 0.00 H new ATOM 0 HA PHE A 50 6.019 18.412 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.526 16.537 -1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.404 17.939 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.512 18.971 -3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.150 15.034 -1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.421 18.203 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.224 14.341 -2.814 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.244 15.872 -4.474 1.00 0.00 H new ATOM 798 N ALA A 51 6.847 17.000 1.619 1.00 0.00 N ATOM 799 CA ALA A 51 7.216 16.673 2.999 1.00 0.00 C ATOM 800 C ALA A 51 7.748 15.279 3.205 1.00 0.00 C ATOM 801 O ALA A 51 7.219 14.307 2.682 1.00 0.00 O ATOM 802 CB ALA A 51 6.026 16.918 3.917 1.00 0.00 C ATOM 0 H ALA A 51 5.969 16.582 1.311 1.00 0.00 H new ATOM 0 HA ALA A 51 8.047 17.334 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.302 16.674 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.732 17.966 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.191 16.289 3.607 1.00 0.00 H new ATOM 808 N PHE A 52 8.822 15.224 3.982 1.00 0.00 N ATOM 809 CA PHE A 52 9.431 14.004 4.454 1.00 0.00 C ATOM 810 C PHE A 52 9.389 13.945 5.996 1.00 0.00 C ATOM 811 O PHE A 52 9.723 14.950 6.628 1.00 0.00 O ATOM 812 CB PHE A 52 10.819 13.900 3.882 1.00 0.00 C ATOM 813 CG PHE A 52 10.808 13.270 2.519 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.604 11.895 2.322 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.883 14.140 1.436 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.447 11.408 1.010 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.742 13.656 0.130 1.00 0.00 C ATOM 818 CZ PHE A 52 10.503 12.290 -0.084 1.00 0.00 C ATOM 0 H PHE A 52 9.304 16.062 4.308 1.00 0.00 H new ATOM 0 HA PHE A 52 8.873 13.133 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.264 14.893 3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.446 13.311 4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.568 11.220 3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.051 15.194 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.283 10.354 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.817 14.331 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.362 11.916 -1.088 1.00 0.00 H new ATOM 828 N ILE A 53 9.024 12.825 6.641 1.00 0.00 N ATOM 829 CA ILE A 53 9.165 12.721 8.117 1.00 0.00 C ATOM 830 C ILE A 53 9.782 11.368 8.478 1.00 0.00 C ATOM 831 O ILE A 53 9.391 10.347 7.911 1.00 0.00 O ATOM 832 CB ILE A 53 7.837 13.047 8.859 1.00 0.00 C ATOM 833 CG1 ILE A 53 7.828 14.379 9.634 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.389 11.905 9.778 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.457 14.828 10.160 1.00 0.00 C ATOM 0 H ILE A 53 8.639 11.997 6.187 1.00 0.00 H new ATOM 0 HA ILE A 53 9.855 13.486 8.472 1.00 0.00 H new ATOM 0 HB ILE A 53 7.117 13.164 8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.511 14.292 10.479 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.222 15.160 8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.458 12.180 10.273 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.233 11.003 9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.158 11.719 10.528 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.563 15.775 10.689 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.770 14.955 9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.064 14.073 10.841 1.00 0.00 H new ATOM 847 N THR A 54 10.751 11.353 9.395 1.00 0.00 N ATOM 848 CA THR A 54 11.350 10.104 9.898 1.00 0.00 C ATOM 849 C THR A 54 10.815 9.830 11.292 1.00 0.00 C ATOM 850 O THR A 54 10.772 10.737 12.126 1.00 0.00 O ATOM 851 CB THR A 54 12.885 10.157 9.979 1.00 0.00 C ATOM 852 OG1 THR A 54 13.405 10.699 8.796 1.00 0.00 O ATOM 853 CG2 THR A 54 13.525 8.778 10.141 1.00 0.00 C ATOM 0 H THR A 54 11.144 12.197 9.811 1.00 0.00 H new ATOM 0 HA THR A 54 11.082 9.318 9.192 1.00 0.00 H new ATOM 0 HB THR A 54 13.115 10.765 10.854 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.248 11.160 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.609 8.884 10.192 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.162 8.314 11.058 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.261 8.152 9.289 1.00 0.00 H new ATOM 861 N PHE A 55 10.438 8.577 11.544 1.00 0.00 N ATOM 862 CA PHE A 55 9.846 8.052 12.776 1.00 0.00 C ATOM 863 C PHE A 55 10.854 7.237 13.588 1.00 0.00 C ATOM 864 O PHE A 55 11.606 6.431 13.029 1.00 0.00 O ATOM 865 CB PHE A 55 8.657 7.144 12.448 1.00 0.00 C ATOM 866 CG PHE A 55 7.450 7.844 11.871 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.378 8.125 10.497 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.374 8.184 12.706 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.249 8.775 9.981 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.216 8.767 12.172 1.00 0.00 C ATOM 871 CZ PHE A 55 5.159 9.077 10.808 1.00 0.00 C ATOM 0 H PHE A 55 10.546 7.847 10.840 1.00 0.00 H new ATOM 0 HA PHE A 55 9.524 8.912 13.364 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.987 6.382 11.742 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.355 6.625 13.358 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.188 7.842 9.842 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.439 7.995 13.767 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.219 9.046 8.936 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.371 8.976 12.811 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.279 9.547 10.395 1.00 0.00 H new ATOM 881 N GLU A 56 10.880 7.461 14.911 1.00 0.00 N ATOM 882 CA GLU A 56 11.651 6.609 15.839 1.00 0.00 C ATOM 883 C GLU A 56 11.505 5.078 15.612 1.00 0.00 C ATOM 884 O GLU A 56 12.472 4.348 15.839 1.00 0.00 O ATOM 885 CB GLU A 56 11.316 6.976 17.292 1.00 0.00 C ATOM 886 CG GLU A 56 11.544 8.468 17.622 1.00 0.00 C ATOM 887 CD GLU A 56 11.397 8.807 19.121 1.00 0.00 C ATOM 888 OE1 GLU A 56 11.080 7.926 19.954 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.624 9.986 19.478 1.00 0.00 O ATOM 0 H GLU A 56 10.377 8.224 15.365 1.00 0.00 H new ATOM 0 HA GLU A 56 12.698 6.821 15.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.274 6.724 17.491 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.924 6.368 17.961 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.542 8.755 17.291 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.835 9.068 17.053 1.00 0.00 H new ATOM 896 N ASN A 57 10.349 4.609 15.110 1.00 0.00 N ATOM 897 CA ASN A 57 10.206 3.224 14.626 1.00 0.00 C ATOM 898 C ASN A 57 9.475 3.175 13.265 1.00 0.00 C ATOM 899 O ASN A 57 8.540 3.948 13.027 1.00 0.00 O ATOM 900 CB ASN A 57 9.447 2.336 15.630 1.00 0.00 C ATOM 901 CG ASN A 57 9.838 2.505 17.087 1.00 0.00 C ATOM 902 OD1 ASN A 57 10.882 2.052 17.537 1.00 0.00 O ATOM 903 ND2 ASN A 57 8.992 3.120 17.879 1.00 0.00 N ATOM 0 H ASN A 57 9.500 5.169 15.029 1.00 0.00 H new ATOM 0 HA ASN A 57 11.219 2.838 14.510 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.381 2.540 15.533 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.598 1.293 15.351 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.204 3.221 18.872 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.122 3.497 17.502 1.00 0.00 H new ATOM 910 N PRO A 58 9.818 2.204 12.396 1.00 0.00 N ATOM 911 CA PRO A 58 9.180 1.995 11.090 1.00 0.00 C ATOM 912 C PRO A 58 7.718 1.560 11.229 1.00 0.00 C ATOM 913 O PRO A 58 6.871 1.961 10.429 1.00 0.00 O ATOM 914 CB PRO A 58 10.030 0.919 10.404 1.00 0.00 C ATOM 915 CG PRO A 58 10.608 0.130 11.579 1.00 0.00 C ATOM 916 CD PRO A 58 10.830 1.190 12.642 1.00 0.00 C ATOM 0 HA PRO A 58 9.143 2.916 10.508 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.429 0.286 9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.815 1.358 9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.920 -0.643 11.921 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.539 -0.369 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.729 0.770 13.643 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.833 1.611 12.573 1.00 0.00 H new ATOM 924 N ALA A 59 7.428 0.806 12.296 1.00 0.00 N ATOM 925 CA ALA A 59 6.059 0.499 12.694 1.00 0.00 C ATOM 926 C ALA A 59 5.142 1.720 12.648 1.00 0.00 C ATOM 927 O ALA A 59 4.127 1.770 11.954 1.00 0.00 O ATOM 928 CB ALA A 59 6.145 0.026 14.157 1.00 0.00 C ATOM 0 H ALA A 59 8.137 0.395 12.903 1.00 0.00 H new ATOM 0 HA ALA A 59 5.643 -0.242 12.012 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.147 -0.221 14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.782 -0.856 14.217 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.567 0.821 14.772 1.00 0.00 H new ATOM 934 N ASP A 60 5.520 2.680 13.478 1.00 0.00 N ATOM 935 CA ASP A 60 4.792 3.915 13.614 1.00 0.00 C ATOM 936 C ASP A 60 4.672 4.736 12.322 1.00 0.00 C ATOM 937 O ASP A 60 3.655 5.381 12.072 1.00 0.00 O ATOM 938 CB ASP A 60 5.420 4.678 14.752 1.00 0.00 C ATOM 939 CG ASP A 60 5.505 3.912 16.082 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.487 3.332 16.526 1.00 0.00 O ATOM 941 OD2 ASP A 60 6.595 3.923 16.697 1.00 0.00 O ATOM 0 H ASP A 60 6.345 2.616 14.075 1.00 0.00 H new ATOM 0 HA ASP A 60 3.749 3.689 13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.426 4.976 14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.850 5.593 14.913 1.00 0.00 H new ATOM 946 N ALA A 61 5.721 4.712 11.498 1.00 0.00 N ATOM 947 CA ALA A 61 5.648 5.257 10.144 1.00 0.00 C ATOM 948 C ALA A 61 4.507 4.627 9.339 1.00 0.00 C ATOM 949 O ALA A 61 3.640 5.310 8.796 1.00 0.00 O ATOM 950 CB ALA A 61 7.017 5.059 9.489 1.00 0.00 C ATOM 0 H ALA A 61 6.630 4.321 11.746 1.00 0.00 H new ATOM 0 HA ALA A 61 5.415 6.321 10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.996 5.456 8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.777 5.584 10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.255 3.996 9.457 1.00 0.00 H new ATOM 956 N LYS A 62 4.504 3.296 9.293 1.00 0.00 N ATOM 957 CA LYS A 62 3.457 2.496 8.620 1.00 0.00 C ATOM 958 C LYS A 62 2.068 2.838 9.149 1.00 0.00 C ATOM 959 O LYS A 62 1.121 2.991 8.386 1.00 0.00 O ATOM 960 CB LYS A 62 3.763 0.988 8.678 1.00 0.00 C ATOM 961 CG LYS A 62 2.640 0.163 8.024 1.00 0.00 C ATOM 962 CD LYS A 62 3.025 -1.314 7.926 1.00 0.00 C ATOM 963 CE LYS A 62 1.823 -2.164 7.499 1.00 0.00 C ATOM 964 NZ LYS A 62 2.219 -3.577 7.281 1.00 0.00 N ATOM 0 H LYS A 62 5.233 2.727 9.724 1.00 0.00 H new ATOM 0 HA LYS A 62 3.462 2.766 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.707 0.787 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.886 0.680 9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.724 0.265 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.430 0.554 7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.836 -1.436 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.398 -1.662 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.048 -2.114 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.393 -1.758 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.387 -4.130 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.941 -3.624 6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.607 -3.969 8.163 1.00 0.00 H new ATOM 978 N ASN A 63 1.970 2.944 10.466 1.00 0.00 N ATOM 979 CA ASN A 63 0.760 3.377 11.128 1.00 0.00 C ATOM 980 C ASN A 63 0.252 4.734 10.635 1.00 0.00 C ATOM 981 O ASN A 63 -0.865 4.806 10.138 1.00 0.00 O ATOM 982 CB ASN A 63 1.145 3.390 12.602 1.00 0.00 C ATOM 983 CG ASN A 63 0.025 3.111 13.567 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.922 2.385 13.301 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.140 3.642 14.751 1.00 0.00 N ATOM 0 H ASN A 63 2.736 2.729 11.105 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.081 2.716 10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.930 2.651 12.761 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.571 4.365 12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.563 3.453 15.465 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.934 4.246 14.964 1.00 0.00 H new ATOM 992 N ALA A 64 1.071 5.785 10.754 1.00 0.00 N ATOM 993 CA ALA A 64 0.718 7.107 10.245 1.00 0.00 C ATOM 994 C ALA A 64 0.360 7.089 8.748 1.00 0.00 C ATOM 995 O ALA A 64 -0.611 7.724 8.336 1.00 0.00 O ATOM 996 CB ALA A 64 1.838 8.071 10.649 1.00 0.00 C ATOM 0 H ALA A 64 1.987 5.741 11.201 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.207 7.467 10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.606 9.071 10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.925 8.092 11.735 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.780 7.736 10.216 1.00 0.00 H new ATOM 1002 N ALA A 65 1.089 6.307 7.944 1.00 0.00 N ATOM 1003 CA ALA A 65 0.692 6.037 6.562 1.00 0.00 C ATOM 1004 C ALA A 65 -0.724 5.461 6.440 1.00 0.00 C ATOM 1005 O ALA A 65 -1.589 6.076 5.825 1.00 0.00 O ATOM 1006 CB ALA A 65 1.738 5.145 5.880 1.00 0.00 C ATOM 0 H ALA A 65 1.956 5.851 8.228 1.00 0.00 H new ATOM 0 HA ALA A 65 0.655 6.994 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.434 4.949 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.704 5.650 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.820 4.202 6.420 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.940 4.278 7.011 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.164 3.463 6.965 1.00 0.00 C ATOM 1014 C LYS A 66 -3.381 4.241 7.453 1.00 0.00 C ATOM 1015 O LYS A 66 -4.461 4.159 6.872 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.924 2.155 7.742 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.066 1.141 7.579 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.727 -0.177 8.295 1.00 0.00 C ATOM 1019 CE LYS A 66 -3.785 -1.267 8.062 1.00 0.00 C ATOM 1020 NZ LYS A 66 -5.090 -0.946 8.700 1.00 0.00 N ATOM 0 H LYS A 66 -0.211 3.824 7.562 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.393 3.203 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.993 1.703 7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.798 2.385 8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.988 1.555 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.242 0.951 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.758 -0.536 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.632 0.009 9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.932 -1.401 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.417 -2.215 8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.766 -1.713 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.959 -0.844 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.458 -0.056 8.308 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.165 5.012 8.512 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.129 6.015 8.965 1.00 0.00 C ATOM 1036 C ASP A 67 -4.515 7.014 7.866 1.00 0.00 C ATOM 1037 O ASP A 67 -5.678 7.177 7.497 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.440 6.796 10.098 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.396 7.559 11.031 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.628 7.325 10.990 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.906 8.403 11.811 1.00 0.00 O ATOM 0 H ASP A 67 -2.320 4.962 9.081 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.044 5.509 9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.852 6.099 10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.741 7.507 9.657 1.00 0.00 H new ATOM 1046 N MET A 68 -3.473 7.724 7.439 1.00 0.00 N ATOM 1047 CA MET A 68 -3.622 8.910 6.567 1.00 0.00 C ATOM 1048 C MET A 68 -4.042 8.626 5.127 1.00 0.00 C ATOM 1049 O MET A 68 -5.225 8.722 4.812 1.00 0.00 O ATOM 1050 CB MET A 68 -2.399 9.809 6.669 1.00 0.00 C ATOM 1051 CG MET A 68 -2.275 10.500 8.035 1.00 0.00 C ATOM 1052 SD MET A 68 -3.566 11.740 8.365 1.00 0.00 S ATOM 1053 CE MET A 68 -4.751 10.783 9.355 1.00 0.00 C ATOM 0 H MET A 68 -2.506 7.505 7.679 1.00 0.00 H new ATOM 0 HA MET A 68 -4.482 9.452 6.959 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.503 9.216 6.485 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.446 10.567 5.887 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.307 9.742 8.817 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.299 10.982 8.098 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.446 11.463 9.847 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.305 10.105 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.214 10.206 10.108 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.040 8.323 4.283 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.252 7.760 2.931 1.00 0.00 C ATOM 1065 C ASN A 69 -4.205 8.432 1.906 1.00 0.00 C ATOM 1066 O ASN A 69 -4.304 7.978 0.764 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.527 6.264 3.135 1.00 0.00 C ATOM 1068 CG ASN A 69 -4.984 5.921 3.383 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -5.783 5.724 2.477 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.373 5.857 4.630 1.00 0.00 N ATOM 0 H ASN A 69 -2.057 8.461 4.517 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.336 7.988 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.184 5.721 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.935 5.910 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.345 5.642 4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.704 6.022 5.382 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.842 9.538 2.275 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.847 10.271 1.501 1.00 0.00 C ATOM 1079 C GLY A 70 -6.832 11.051 2.373 1.00 0.00 C ATOM 1080 O GLY A 70 -7.989 11.246 1.989 1.00 0.00 O ATOM 0 H GLY A 70 -4.662 9.977 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.342 10.963 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.401 9.567 0.880 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.354 11.488 3.548 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.103 12.444 4.358 1.00 0.00 C ATOM 1086 C LYS A 71 -6.928 13.808 3.684 1.00 0.00 C ATOM 1087 O LYS A 71 -6.190 13.951 2.706 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.493 12.364 5.771 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.033 13.309 6.864 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.546 13.184 7.113 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.001 14.241 8.131 1.00 0.00 C ATOM 1092 NZ LYS A 71 -10.473 14.209 8.345 1.00 0.00 N ATOM 0 H LYS A 71 -5.463 11.196 3.950 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.173 12.252 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.617 11.341 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.422 12.542 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.505 13.108 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.806 14.338 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.089 13.312 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.781 12.186 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.493 14.073 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.706 15.231 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.739 14.937 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.959 14.395 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.752 13.273 8.702 1.00 0.00 H new ATOM 1106 N SER A 72 -7.578 14.837 4.193 1.00 0.00 N ATOM 1107 CA SER A 72 -7.528 16.153 3.579 1.00 0.00 C ATOM 1108 C SER A 72 -7.670 17.207 4.644 1.00 0.00 C ATOM 1109 O SER A 72 -8.554 17.123 5.502 1.00 0.00 O ATOM 1110 CB SER A 72 -8.598 16.215 2.490 1.00 0.00 C ATOM 1111 OG SER A 72 -8.581 17.466 1.827 1.00 0.00 O ATOM 0 H SER A 72 -8.151 14.787 5.036 1.00 0.00 H new ATOM 0 HA SER A 72 -6.569 16.344 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.433 15.415 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.580 16.048 2.932 1.00 0.00 H new ATOM 0 HG SER A 72 -9.274 17.478 1.134 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.705 18.130 4.627 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.516 19.025 5.784 1.00 0.00 C ATOM 1119 C LEU A 73 -5.860 20.395 5.544 1.00 0.00 C ATOM 1120 O LEU A 73 -5.897 21.242 6.438 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.941 18.229 6.981 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.485 17.735 7.019 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.938 16.971 5.823 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.506 18.872 7.332 1.00 0.00 C ATOM 0 H LEU A 73 -6.058 18.280 3.853 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.519 19.370 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.084 18.849 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.573 17.349 7.103 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.553 16.997 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.900 16.696 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.530 16.069 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.991 17.600 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.489 18.481 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.586 19.642 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.747 19.302 8.304 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.304 20.633 4.354 1.00 0.00 N ATOM 1137 CA HIS A 74 -5.011 21.994 3.882 1.00 0.00 C ATOM 1138 C HIS A 74 -6.074 22.291 2.797 1.00 0.00 C ATOM 1139 O HIS A 74 -7.175 21.733 2.852 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.521 22.206 3.516 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.940 21.495 2.323 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.437 22.120 1.203 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.491 20.205 2.299 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.674 21.240 0.533 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.688 20.050 1.161 1.00 0.00 N ATOM 0 H HIS A 74 -5.045 19.899 3.695 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.107 22.750 4.662 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.372 23.275 3.363 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.928 21.922 4.385 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.614 23.086 0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.715 19.440 3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.130 21.456 -0.375 1.00 0.00 H new ATOM 1153 N GLY A 75 -5.793 23.108 1.787 1.00 0.00 N ATOM 1154 CA GLY A 75 -6.681 23.246 0.624 1.00 0.00 C ATOM 1155 C GLY A 75 -6.637 22.044 -0.332 1.00 0.00 C ATOM 1156 O GLY A 75 -7.092 22.172 -1.474 1.00 0.00 O ATOM 0 H GLY A 75 -4.956 23.689 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.704 23.384 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.408 24.147 0.074 1.00 0.00 H new ATOM 1160 N LYS A 76 -6.075 20.903 0.109 1.00 0.00 N ATOM 1161 CA LYS A 76 -5.874 19.747 -0.742 1.00 0.00 C ATOM 1162 C LYS A 76 -5.818 18.559 0.206 1.00 0.00 C ATOM 1163 O LYS A 76 -5.517 18.677 1.407 1.00 0.00 O ATOM 1164 CB LYS A 76 -4.499 19.821 -1.449 1.00 0.00 C ATOM 1165 CG LYS A 76 -4.336 20.848 -2.578 1.00 0.00 C ATOM 1166 CD LYS A 76 -5.221 20.534 -3.793 1.00 0.00 C ATOM 1167 CE LYS A 76 -5.014 21.596 -4.879 1.00 0.00 C ATOM 1168 NZ LYS A 76 -5.827 21.303 -6.089 1.00 0.00 N ATOM 0 H LYS A 76 -5.752 20.771 1.068 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.660 19.683 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.743 20.030 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.277 18.835 -1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.582 21.840 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.292 20.876 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.977 19.547 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.269 20.507 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.284 22.577 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.959 21.640 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.664 22.040 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.552 20.378 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.835 21.285 -5.834 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.074 17.404 -0.376 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.756 16.157 0.257 1.00 0.00 C ATOM 1184 C ALA A 77 -4.235 16.044 0.430 1.00 0.00 C ATOM 1185 O ALA A 77 -3.432 16.591 -0.332 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.328 15.002 -0.569 1.00 0.00 C ATOM 0 H ALA A 77 -6.506 17.312 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.207 16.110 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.086 14.055 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.411 15.107 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.896 15.021 -1.569 1.00 0.00 H new ATOM 1192 N ILE A 78 -3.910 15.198 1.387 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.539 14.714 1.579 1.00 0.00 C ATOM 1194 C ILE A 78 -2.443 13.310 1.017 1.00 0.00 C ATOM 1195 O ILE A 78 -3.316 12.456 1.195 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.036 14.688 3.026 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.001 13.884 3.906 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.761 16.141 3.436 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.448 13.669 5.297 1.00 0.00 C ATOM 0 H ILE A 78 -4.580 14.822 2.057 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.903 15.432 1.061 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.093 14.156 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.955 14.407 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.198 12.918 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.400 16.167 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.007 16.569 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.681 16.721 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.162 13.096 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.507 13.122 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.275 14.634 5.773 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.357 13.098 0.293 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.010 11.760 -0.211 1.00 0.00 C ATOM 1213 C LYS A 79 0.127 11.211 0.630 1.00 0.00 C ATOM 1214 O LYS A 79 1.090 11.936 0.856 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.627 11.908 -1.690 1.00 0.00 C ATOM 1216 CG LYS A 79 0.119 10.759 -2.393 1.00 0.00 C ATOM 1217 CD LYS A 79 1.641 10.768 -2.180 1.00 0.00 C ATOM 1218 CE LYS A 79 2.288 9.942 -3.292 1.00 0.00 C ATOM 1219 NZ LYS A 79 2.652 10.778 -4.467 1.00 0.00 N ATOM 0 H LYS A 79 -0.694 13.829 0.036 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.841 11.059 -0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.544 12.094 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.011 12.803 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.280 9.810 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.087 10.809 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.020 11.790 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.890 10.351 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.181 9.451 -2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.602 9.155 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.648 10.191 -5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.962 11.549 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.601 11.180 -4.327 1.00 0.00 H new ATOM 1233 N VAL A 80 0.019 9.960 1.090 1.00 0.00 N ATOM 1234 CA VAL A 80 1.032 9.343 1.969 1.00 0.00 C ATOM 1235 C VAL A 80 1.662 8.099 1.346 1.00 0.00 C ATOM 1236 O VAL A 80 0.987 7.150 0.950 1.00 0.00 O ATOM 1237 CB VAL A 80 0.510 9.070 3.387 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.681 8.638 4.285 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.195 10.316 3.947 1.00 0.00 C ATOM 0 H VAL A 80 -0.765 9.346 0.869 1.00 0.00 H new ATOM 0 HA VAL A 80 1.824 10.085 2.072 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.223 8.264 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.314 8.443 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.133 7.732 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.427 9.432 4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.559 10.107 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.509 11.147 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.035 10.579 3.304 1.00 0.00 H new ATOM 1249 N GLU A 81 2.981 8.167 1.232 1.00 0.00 N ATOM 1250 CA GLU A 81 3.892 7.275 0.521 1.00 0.00 C ATOM 1251 C GLU A 81 5.125 6.966 1.395 1.00 0.00 C ATOM 1252 O GLU A 81 5.446 7.733 2.305 1.00 0.00 O ATOM 1253 CB GLU A 81 4.214 7.929 -0.831 1.00 0.00 C ATOM 1254 CG GLU A 81 5.161 7.145 -1.739 1.00 0.00 C ATOM 1255 CD GLU A 81 4.597 5.757 -2.092 1.00 0.00 C ATOM 1256 OE1 GLU A 81 4.832 4.800 -1.318 1.00 0.00 O ATOM 1257 OE2 GLU A 81 3.904 5.624 -3.129 1.00 0.00 O ATOM 0 H GLU A 81 3.494 8.926 1.681 1.00 0.00 H new ATOM 0 HA GLU A 81 3.444 6.302 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.279 8.092 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.649 8.911 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.337 7.709 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.126 7.030 -1.245 1.00 0.00 H new ATOM 1264 N GLN A 82 5.810 5.843 1.176 1.00 0.00 N ATOM 1265 CA GLN A 82 6.975 5.452 1.980 1.00 0.00 C ATOM 1266 C GLN A 82 8.250 5.713 1.172 1.00 0.00 C ATOM 1267 O GLN A 82 8.368 5.371 -0.009 1.00 0.00 O ATOM 1268 CB GLN A 82 6.885 3.983 2.398 1.00 0.00 C ATOM 1269 CG GLN A 82 5.833 3.756 3.490 1.00 0.00 C ATOM 1270 CD GLN A 82 4.429 3.525 2.930 1.00 0.00 C ATOM 1271 OE1 GLN A 82 4.111 2.475 2.392 1.00 0.00 O ATOM 1272 NE2 GLN A 82 3.537 4.490 3.036 1.00 0.00 N ATOM 0 H GLN A 82 5.576 5.178 0.439 1.00 0.00 H new ATOM 0 HA GLN A 82 6.998 6.048 2.892 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.641 3.374 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.858 3.649 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.123 2.896 4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.815 4.620 4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.790 5.371 3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.594 4.355 2.671 1.00 0.00 H new ATOM 1281 N ALA A 83 9.178 6.409 1.826 1.00 0.00 N ATOM 1282 CA ALA A 83 10.322 7.022 1.157 1.00 0.00 C ATOM 1283 C ALA A 83 11.382 6.053 0.589 1.00 0.00 C ATOM 1284 O ALA A 83 11.787 5.075 1.225 1.00 0.00 O ATOM 1285 CB ALA A 83 10.964 8.058 2.082 1.00 0.00 C ATOM 0 H ALA A 83 9.157 6.563 2.834 1.00 0.00 H new ATOM 0 HA ALA A 83 9.909 7.496 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.818 8.514 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.233 8.829 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.299 7.570 2.997 1.00 0.00 H new ATOM 1291 N LYS A 84 11.883 6.445 -0.588 1.00 0.00 N ATOM 1292 CA LYS A 84 12.992 5.751 -1.265 1.00 0.00 C ATOM 1293 C LYS A 84 14.013 6.776 -1.780 1.00 0.00 C ATOM 1294 O LYS A 84 13.670 7.945 -1.958 1.00 0.00 O ATOM 1295 CB LYS A 84 12.400 4.940 -2.438 1.00 0.00 C ATOM 1296 CG LYS A 84 11.993 3.515 -2.028 1.00 0.00 C ATOM 1297 CD LYS A 84 13.200 2.563 -1.959 1.00 0.00 C ATOM 1298 CE LYS A 84 12.933 1.342 -1.070 1.00 0.00 C ATOM 1299 NZ LYS A 84 11.813 0.493 -1.555 1.00 0.00 N ATOM 0 H LYS A 84 11.532 7.254 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 84 13.505 5.083 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.529 5.463 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.132 4.887 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.500 3.545 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.267 3.127 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.453 2.228 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.065 3.105 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.839 0.738 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.711 1.680 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.685 -0.314 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.939 1.055 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.031 0.143 -2.510 1.00 0.00 H new ATOM 1313 N LYS A 85 15.260 6.332 -1.997 1.00 0.00 N ATOM 1314 CA LYS A 85 16.385 7.241 -2.336 1.00 0.00 C ATOM 1315 C LYS A 85 16.064 8.190 -3.521 1.00 0.00 C ATOM 1316 O LYS A 85 15.471 7.723 -4.500 1.00 0.00 O ATOM 1317 CB LYS A 85 17.640 6.396 -2.621 1.00 0.00 C ATOM 1318 CG LYS A 85 18.035 5.535 -1.403 1.00 0.00 C ATOM 1319 CD LYS A 85 19.255 4.643 -1.654 1.00 0.00 C ATOM 1320 CE LYS A 85 20.564 5.439 -1.622 1.00 0.00 C ATOM 1321 NZ LYS A 85 21.759 4.561 -1.725 1.00 0.00 N ATOM 0 H LYS A 85 15.524 5.348 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 85 16.562 7.893 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 85 17.457 5.750 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.468 7.053 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.242 6.190 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.189 4.908 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.290 3.857 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.153 4.152 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.571 6.156 -2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.616 6.013 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.621 5.143 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.769 3.893 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.725 4.032 -2.620 1.00 0.00 H new ATOM 1335 N PRO A 86 16.458 9.483 -3.480 1.00 0.00 N ATOM 1336 CA PRO A 86 16.034 10.487 -4.470 1.00 0.00 C ATOM 1337 C PRO A 86 16.645 10.225 -5.862 1.00 0.00 C ATOM 1338 O PRO A 86 15.932 10.063 -6.853 1.00 0.00 O ATOM 1339 CB PRO A 86 16.474 11.831 -3.879 1.00 0.00 C ATOM 1340 CG PRO A 86 17.647 11.496 -2.960 1.00 0.00 C ATOM 1341 CD PRO A 86 17.273 10.105 -2.441 1.00 0.00 C ATOM 0 HA PRO A 86 14.958 10.459 -4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.773 12.527 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.662 12.303 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.595 11.487 -3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.747 12.218 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 86 18.166 9.512 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.720 10.176 -1.504 1.00 0.00 H new