USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 28:sc= 0.445 USER MOD Single : A 21 SER OG : rot 170:sc= 0 USER MOD Single : A 23 THR OG1 : rot -34:sc= 0.0318 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc=-0.00872 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -3.65! C(o=-3.6!,f=-12!) USER MOD Single : A 43 THR OG1 : rot 52:sc= 0.316 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.65 K(o=-1.7,f=-3.8!) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 100:sc= 1.46 USER MOD Single : A 57 SER OG : rot 121:sc= 1 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -24:sc= 0.394! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00253 X(o=-0.0025,f=-0.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 15:sc= -5.72! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -55:sc= 0.382 USER MOD Single : A 101 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.524 0.450 -10.656 1.00 0.00 N ATOM 112 CA GLU A 11 9.407 1.297 -11.039 1.00 0.00 C ATOM 113 C GLU A 11 8.161 0.930 -10.229 1.00 0.00 C ATOM 114 O GLU A 11 7.480 1.807 -9.700 1.00 0.00 O ATOM 115 CB GLU A 11 9.133 1.197 -12.541 1.00 0.00 C ATOM 116 CG GLU A 11 8.545 -0.169 -12.901 1.00 0.00 C ATOM 117 CD GLU A 11 8.542 -0.382 -14.417 1.00 0.00 C ATOM 118 OE1 GLU A 11 9.651 -0.373 -14.993 1.00 0.00 O ATOM 119 OE2 GLU A 11 7.431 -0.548 -14.964 1.00 0.00 O ATOM 0 HA GLU A 11 9.669 2.332 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.442 1.985 -12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.058 1.356 -13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.125 -0.957 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.527 -0.244 -12.518 1.00 0.00 H new ATOM 126 N LEU A 12 7.901 -0.368 -10.159 1.00 0.00 N ATOM 127 CA LEU A 12 6.749 -0.860 -9.422 1.00 0.00 C ATOM 128 C LEU A 12 7.115 -0.994 -7.942 1.00 0.00 C ATOM 129 O LEU A 12 6.330 -0.623 -7.070 1.00 0.00 O ATOM 130 CB LEU A 12 6.230 -2.157 -10.047 1.00 0.00 C ATOM 131 CG LEU A 12 5.050 -2.012 -11.010 1.00 0.00 C ATOM 132 CD1 LEU A 12 4.635 -3.371 -11.578 1.00 0.00 C ATOM 133 CD2 LEU A 12 3.880 -1.290 -10.340 1.00 0.00 C ATOM 0 H LEU A 12 8.467 -1.093 -10.600 1.00 0.00 H new ATOM 0 HA LEU A 12 5.924 -0.150 -9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.052 -2.634 -10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.937 -2.832 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 12 5.370 -1.396 -11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.794 -3.239 -12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.474 -3.811 -12.117 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.341 -4.032 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.055 -1.200 -11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.552 -1.858 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.198 -0.296 -10.026 1.00 0.00 H new ATOM 145 N LEU A 13 8.305 -1.524 -7.705 1.00 0.00 N ATOM 146 CA LEU A 13 8.784 -1.710 -6.345 1.00 0.00 C ATOM 147 C LEU A 13 9.271 -0.370 -5.792 1.00 0.00 C ATOM 148 O LEU A 13 9.747 0.480 -6.544 1.00 0.00 O ATOM 149 CB LEU A 13 9.839 -2.816 -6.296 1.00 0.00 C ATOM 150 CG LEU A 13 11.104 -2.501 -5.495 1.00 0.00 C ATOM 151 CD1 LEU A 13 10.836 -2.587 -3.991 1.00 0.00 C ATOM 152 CD2 LEU A 13 12.264 -3.403 -5.924 1.00 0.00 C ATOM 0 H LEU A 13 8.952 -1.831 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 13 7.973 -2.045 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.380 -3.711 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.131 -3.058 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 13 11.398 -1.474 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.751 -2.359 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.062 -1.870 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.504 -3.594 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.151 -3.158 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.995 -4.446 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.473 -3.248 -6.982 1.00 0.00 H new ATOM 164 N GLY A 14 9.137 -0.222 -4.483 1.00 0.00 N ATOM 165 CA GLY A 14 9.557 1.001 -3.820 1.00 0.00 C ATOM 166 C GLY A 14 8.524 2.113 -4.014 1.00 0.00 C ATOM 167 O GLY A 14 8.718 3.234 -3.546 1.00 0.00 O ATOM 0 H GLY A 14 8.743 -0.929 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.697 0.812 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.520 1.321 -4.217 1.00 0.00 H new ATOM 171 N LYS A 15 7.449 1.764 -4.706 1.00 0.00 N ATOM 172 CA LYS A 15 6.385 2.719 -4.968 1.00 0.00 C ATOM 173 C LYS A 15 5.073 2.183 -4.392 1.00 0.00 C ATOM 174 O LYS A 15 4.991 1.020 -4.001 1.00 0.00 O ATOM 175 CB LYS A 15 6.315 3.046 -6.460 1.00 0.00 C ATOM 176 CG LYS A 15 5.501 1.993 -7.215 1.00 0.00 C ATOM 177 CD LYS A 15 4.239 2.606 -7.823 1.00 0.00 C ATOM 178 CE LYS A 15 4.516 3.156 -9.224 1.00 0.00 C ATOM 179 NZ LYS A 15 4.660 4.628 -9.184 1.00 0.00 N ATOM 0 H LYS A 15 7.292 0.833 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 15 6.589 3.666 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.864 4.028 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.323 3.096 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.112 1.553 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.226 1.185 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.453 1.853 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.873 3.407 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.425 2.707 -9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.702 2.882 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.848 4.985 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.783 5.053 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.451 4.883 -8.559 1.00 0.00 H new ATOM 193 N VAL A 16 4.078 3.058 -4.361 1.00 0.00 N ATOM 194 CA VAL A 16 2.772 2.687 -3.841 1.00 0.00 C ATOM 195 C VAL A 16 2.059 1.792 -4.856 1.00 0.00 C ATOM 196 O VAL A 16 2.129 2.034 -6.059 1.00 0.00 O ATOM 197 CB VAL A 16 1.974 3.943 -3.486 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.543 3.587 -3.080 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.673 4.745 -2.386 1.00 0.00 C ATOM 0 H VAL A 16 4.150 4.022 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 16 2.876 2.114 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 16 1.923 4.570 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.002 4.498 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.046 3.079 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.564 2.930 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.085 5.632 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.770 4.129 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.663 5.046 -2.728 1.00 0.00 H new ATOM 209 N VAL A 17 1.388 0.776 -4.333 1.00 0.00 N ATOM 210 CA VAL A 17 0.662 -0.157 -5.177 1.00 0.00 C ATOM 211 C VAL A 17 -0.566 -0.672 -4.424 1.00 0.00 C ATOM 212 O VAL A 17 -0.634 -0.575 -3.200 1.00 0.00 O ATOM 213 CB VAL A 17 1.594 -1.278 -5.639 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.601 -0.765 -6.670 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.307 -1.923 -4.450 1.00 0.00 C ATOM 0 H VAL A 17 1.332 0.579 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 17 0.304 0.342 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 17 0.984 -2.043 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.251 -1.582 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.068 -0.375 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.203 0.029 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.963 -2.717 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.898 -1.170 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.568 -2.342 -3.767 1.00 0.00 H new ATOM 225 N SER A 18 -1.507 -1.208 -5.188 1.00 0.00 N ATOM 226 CA SER A 18 -2.729 -1.737 -4.608 1.00 0.00 C ATOM 227 C SER A 18 -2.630 -3.258 -4.479 1.00 0.00 C ATOM 228 O SER A 18 -2.403 -3.956 -5.467 1.00 0.00 O ATOM 229 CB SER A 18 -3.949 -1.355 -5.448 1.00 0.00 C ATOM 230 OG SER A 18 -3.659 -1.363 -6.844 1.00 0.00 O ATOM 0 H SER A 18 -1.447 -1.287 -6.203 1.00 0.00 H new ATOM 0 HA SER A 18 -2.853 -1.301 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.763 -2.050 -5.243 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.295 -0.364 -5.155 1.00 0.00 H new ATOM 0 HG SER A 18 -2.941 -2.004 -7.025 1.00 0.00 H new ATOM 236 N VAL A 19 -2.805 -3.729 -3.253 1.00 0.00 N ATOM 237 CA VAL A 19 -2.738 -5.155 -2.981 1.00 0.00 C ATOM 238 C VAL A 19 -4.146 -5.749 -3.049 1.00 0.00 C ATOM 239 O VAL A 19 -5.078 -5.216 -2.448 1.00 0.00 O ATOM 240 CB VAL A 19 -2.049 -5.400 -1.637 1.00 0.00 C ATOM 241 CG1 VAL A 19 -1.868 -6.897 -1.380 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.710 -4.665 -1.566 1.00 0.00 C ATOM 0 H VAL A 19 -2.993 -3.148 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.135 -5.660 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.692 -5.001 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.376 -7.044 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.843 -7.384 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.256 -7.331 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.241 -4.856 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.057 -5.020 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.876 -3.594 -1.683 1.00 0.00 H new ATOM 252 N VAL A 20 -4.257 -6.845 -3.785 1.00 0.00 N ATOM 253 CA VAL A 20 -5.536 -7.517 -3.939 1.00 0.00 C ATOM 254 C VAL A 20 -5.634 -8.656 -2.922 1.00 0.00 C ATOM 255 O VAL A 20 -4.739 -9.497 -2.837 1.00 0.00 O ATOM 256 CB VAL A 20 -5.708 -7.992 -5.384 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.132 -8.493 -5.631 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.338 -6.882 -6.371 1.00 0.00 C ATOM 0 H VAL A 20 -3.482 -7.285 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.356 -6.827 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.027 -8.828 -5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.227 -8.824 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.346 -9.326 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.840 -7.686 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.468 -7.244 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.983 -6.019 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.298 -6.592 -6.219 1.00 0.00 H new ATOM 268 N SER A 21 -6.728 -8.646 -2.174 1.00 0.00 N ATOM 269 CA SER A 21 -6.955 -9.667 -1.165 1.00 0.00 C ATOM 270 C SER A 21 -7.448 -10.955 -1.827 1.00 0.00 C ATOM 271 O SER A 21 -8.394 -10.931 -2.613 1.00 0.00 O ATOM 272 CB SER A 21 -7.961 -9.192 -0.116 1.00 0.00 C ATOM 273 OG SER A 21 -7.906 -9.977 1.071 1.00 0.00 O ATOM 0 H SER A 21 -7.467 -7.947 -2.247 1.00 0.00 H new ATOM 0 HA SER A 21 -6.010 -9.863 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.763 -8.149 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.967 -9.236 -0.533 1.00 0.00 H new ATOM 0 HG SER A 21 -8.442 -9.549 1.771 1.00 0.00 H new ATOM 279 N ALA A 22 -6.785 -12.051 -1.484 1.00 0.00 N ATOM 280 CA ALA A 22 -7.145 -13.346 -2.036 1.00 0.00 C ATOM 281 C ALA A 22 -8.618 -13.631 -1.738 1.00 0.00 C ATOM 282 O ALA A 22 -9.415 -13.815 -2.656 1.00 0.00 O ATOM 283 CB ALA A 22 -6.216 -14.419 -1.464 1.00 0.00 C ATOM 0 H ALA A 22 -6.001 -12.068 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.022 -13.350 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.485 -15.391 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.185 -14.185 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.316 -14.446 -0.379 1.00 0.00 H new ATOM 289 N THR A 23 -8.934 -13.659 -0.452 1.00 0.00 N ATOM 290 CA THR A 23 -10.298 -13.918 -0.023 1.00 0.00 C ATOM 291 C THR A 23 -11.194 -12.718 -0.336 1.00 0.00 C ATOM 292 O THR A 23 -12.418 -12.822 -0.287 1.00 0.00 O ATOM 293 CB THR A 23 -10.265 -14.280 1.463 1.00 0.00 C ATOM 294 OG1 THR A 23 -11.470 -15.012 1.670 1.00 0.00 O ATOM 295 CG2 THR A 23 -10.413 -13.055 2.368 1.00 0.00 C ATOM 0 H THR A 23 -8.270 -13.507 0.307 1.00 0.00 H new ATOM 0 HA THR A 23 -10.731 -14.757 -0.568 1.00 0.00 H new ATOM 0 HB THR A 23 -9.328 -14.789 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.173 -14.656 1.088 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.383 -13.368 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.597 -12.359 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.365 -12.564 2.164 1.00 0.00 H new ATOM 303 N GLU A 24 -10.547 -11.605 -0.652 1.00 0.00 N ATOM 304 CA GLU A 24 -11.270 -10.386 -0.973 1.00 0.00 C ATOM 305 C GLU A 24 -10.700 -9.750 -2.243 1.00 0.00 C ATOM 306 O GLU A 24 -10.231 -8.614 -2.216 1.00 0.00 O ATOM 307 CB GLU A 24 -11.232 -9.401 0.198 1.00 0.00 C ATOM 308 CG GLU A 24 -12.616 -9.251 0.832 1.00 0.00 C ATOM 309 CD GLU A 24 -12.661 -9.912 2.212 1.00 0.00 C ATOM 310 OE1 GLU A 24 -12.012 -9.361 3.126 1.00 0.00 O ATOM 311 OE2 GLU A 24 -13.344 -10.952 2.320 1.00 0.00 O ATOM 0 H GLU A 24 -9.531 -11.522 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.314 -10.643 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.520 -9.748 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.880 -8.430 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.866 -8.194 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.368 -9.702 0.184 1.00 0.00 H new ATOM 318 N ARG A 25 -10.761 -10.512 -3.325 1.00 0.00 N ATOM 319 CA ARG A 25 -10.257 -10.037 -4.603 1.00 0.00 C ATOM 320 C ARG A 25 -10.665 -8.580 -4.826 1.00 0.00 C ATOM 321 O ARG A 25 -9.972 -7.838 -5.521 1.00 0.00 O ATOM 322 CB ARG A 25 -10.789 -10.891 -5.756 1.00 0.00 C ATOM 323 CG ARG A 25 -10.318 -12.342 -5.627 1.00 0.00 C ATOM 324 CD ARG A 25 -9.245 -12.665 -6.667 1.00 0.00 C ATOM 325 NE ARG A 25 -8.912 -14.106 -6.620 1.00 0.00 N ATOM 326 CZ ARG A 25 -7.880 -14.661 -7.272 1.00 0.00 C ATOM 327 NH1 ARG A 25 -7.076 -13.898 -8.025 1.00 0.00 N ATOM 328 NH2 ARG A 25 -7.654 -15.977 -7.170 1.00 0.00 N ATOM 0 H ARG A 25 -11.151 -11.454 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.170 -10.114 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.878 -10.858 -5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.450 -10.478 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.922 -12.512 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.166 -13.016 -5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.600 -12.398 -7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.352 -12.070 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.505 -14.715 -6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.249 -12.896 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.291 -14.319 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.267 -16.557 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.869 -16.400 -7.666 1.00 0.00 H new ATOM 342 N THR A 26 -11.786 -8.214 -4.224 1.00 0.00 N ATOM 343 CA THR A 26 -12.294 -6.858 -4.349 1.00 0.00 C ATOM 344 C THR A 26 -11.474 -5.900 -3.482 1.00 0.00 C ATOM 345 O THR A 26 -10.668 -5.127 -3.998 1.00 0.00 O ATOM 346 CB THR A 26 -13.783 -6.877 -3.993 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.429 -7.205 -5.219 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.320 -5.486 -3.649 1.00 0.00 C ATOM 0 H THR A 26 -12.357 -8.832 -3.648 1.00 0.00 H new ATOM 0 HA THR A 26 -12.193 -6.490 -5.370 1.00 0.00 H new ATOM 0 HB THR A 26 -13.946 -7.548 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.398 -7.240 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.380 -5.555 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.775 -5.087 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.188 -4.823 -4.504 1.00 0.00 H new ATOM 356 N GLU A 27 -11.709 -5.981 -2.181 1.00 0.00 N ATOM 357 CA GLU A 27 -11.002 -5.131 -1.239 1.00 0.00 C ATOM 358 C GLU A 27 -9.502 -5.141 -1.536 1.00 0.00 C ATOM 359 O GLU A 27 -8.904 -6.205 -1.693 1.00 0.00 O ATOM 360 CB GLU A 27 -11.279 -5.561 0.203 1.00 0.00 C ATOM 361 CG GLU A 27 -12.306 -4.639 0.863 1.00 0.00 C ATOM 362 CD GLU A 27 -12.418 -4.927 2.362 1.00 0.00 C ATOM 363 OE1 GLU A 27 -11.351 -4.975 3.011 1.00 0.00 O ATOM 364 OE2 GLU A 27 -13.568 -5.091 2.824 1.00 0.00 O ATOM 0 H GLU A 27 -12.379 -6.622 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.368 -4.111 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.645 -6.588 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.351 -5.546 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.018 -3.599 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.278 -4.774 0.389 1.00 0.00 H new ATOM 371 N TRP A 28 -8.935 -3.946 -1.604 1.00 0.00 N ATOM 372 CA TRP A 28 -7.516 -3.804 -1.879 1.00 0.00 C ATOM 373 C TRP A 28 -6.981 -2.651 -1.027 1.00 0.00 C ATOM 374 O TRP A 28 -7.674 -1.656 -0.818 1.00 0.00 O ATOM 375 CB TRP A 28 -7.265 -3.610 -3.375 1.00 0.00 C ATOM 376 CG TRP A 28 -7.770 -2.273 -3.922 1.00 0.00 C ATOM 377 CD1 TRP A 28 -8.911 -2.029 -4.580 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.099 -0.998 -3.832 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.026 -0.696 -4.918 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.888 -0.049 -4.449 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.867 -0.658 -3.247 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.533 1.301 -4.541 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.525 0.696 -3.348 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.309 1.663 -3.966 1.00 0.00 C ATOM 0 H TRP A 28 -9.434 -3.066 -1.473 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.978 -4.713 -1.609 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.195 -3.688 -3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.747 -4.420 -3.922 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.649 -2.781 -4.816 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.803 -0.265 -5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.234 -1.384 -2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.169 2.025 -5.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.587 1.011 -2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.975 2.690 -4.002 1.00 0.00 H new ATOM 395 N TYR A 29 -5.754 -2.822 -0.560 1.00 0.00 N ATOM 396 CA TYR A 29 -5.119 -1.807 0.264 1.00 0.00 C ATOM 397 C TYR A 29 -3.752 -1.417 -0.303 1.00 0.00 C ATOM 398 O TYR A 29 -3.083 -2.232 -0.937 1.00 0.00 O ATOM 399 CB TYR A 29 -4.922 -2.445 1.641 1.00 0.00 C ATOM 400 CG TYR A 29 -3.559 -3.112 1.830 1.00 0.00 C ATOM 401 CD1 TYR A 29 -3.363 -4.412 1.412 1.00 0.00 C ATOM 402 CD2 TYR A 29 -2.524 -2.413 2.418 1.00 0.00 C ATOM 403 CE1 TYR A 29 -2.079 -5.040 1.590 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.240 -3.041 2.595 1.00 0.00 C ATOM 405 CZ TYR A 29 -1.081 -4.323 2.173 1.00 0.00 C ATOM 406 OH TYR A 29 0.132 -4.916 2.340 1.00 0.00 O ATOM 0 H TYR A 29 -5.182 -3.648 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.731 -0.906 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.049 -1.679 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.703 -3.188 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.172 -4.959 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.677 -1.395 2.745 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.912 -6.057 1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.422 -2.505 3.053 1.00 0.00 H new ATOM 0 HH TYR A 29 0.748 -4.286 2.768 1.00 0.00 H new ATOM 416 N PRO A 30 -3.369 -0.137 -0.048 1.00 0.00 N ATOM 417 CA PRO A 30 -2.093 0.371 -0.526 1.00 0.00 C ATOM 418 C PRO A 30 -0.936 -0.180 0.309 1.00 0.00 C ATOM 419 O PRO A 30 -1.107 -0.489 1.487 1.00 0.00 O ATOM 420 CB PRO A 30 -2.218 1.884 -0.445 1.00 0.00 C ATOM 421 CG PRO A 30 -3.373 2.156 0.506 1.00 0.00 C ATOM 422 CD PRO A 30 -4.134 0.855 0.699 1.00 0.00 C ATOM 0 HA PRO A 30 -1.870 0.057 -1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.295 2.333 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.412 2.313 -1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.002 2.526 1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.029 2.925 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.203 0.589 1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.154 0.934 0.323 1.00 0.00 H new ATOM 430 N ALA A 31 0.218 -0.285 -0.334 1.00 0.00 N ATOM 431 CA ALA A 31 1.403 -0.793 0.335 1.00 0.00 C ATOM 432 C ALA A 31 2.640 -0.450 -0.499 1.00 0.00 C ATOM 433 O ALA A 31 2.623 -0.574 -1.722 1.00 0.00 O ATOM 434 CB ALA A 31 1.255 -2.298 0.564 1.00 0.00 C ATOM 0 H ALA A 31 0.357 -0.027 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 31 1.522 -0.325 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.144 -2.679 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.379 -2.487 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.136 -2.802 -0.395 1.00 0.00 H new ATOM 440 N LEU A 32 3.684 -0.024 0.197 1.00 0.00 N ATOM 441 CA LEU A 32 4.926 0.337 -0.463 1.00 0.00 C ATOM 442 C LEU A 32 5.838 -0.890 -0.535 1.00 0.00 C ATOM 443 O LEU A 32 6.472 -1.254 0.455 1.00 0.00 O ATOM 444 CB LEU A 32 5.570 1.542 0.228 1.00 0.00 C ATOM 445 CG LEU A 32 6.744 2.189 -0.508 1.00 0.00 C ATOM 446 CD1 LEU A 32 6.361 2.545 -1.946 1.00 0.00 C ATOM 447 CD2 LEU A 32 7.272 3.402 0.262 1.00 0.00 C ATOM 0 H LEU A 32 3.695 0.079 1.212 1.00 0.00 H new ATOM 0 HA LEU A 32 4.734 0.651 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.802 2.300 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.913 1.229 1.214 1.00 0.00 H new ATOM 0 HG LEU A 32 7.555 1.463 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.214 3.004 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.070 1.640 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.526 3.245 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.106 3.844 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.477 4.140 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.609 3.087 1.250 1.00 0.00 H new ATOM 459 N VAL A 33 5.873 -1.493 -1.714 1.00 0.00 N ATOM 460 CA VAL A 33 6.696 -2.671 -1.927 1.00 0.00 C ATOM 461 C VAL A 33 8.140 -2.358 -1.529 1.00 0.00 C ATOM 462 O VAL A 33 8.614 -1.241 -1.725 1.00 0.00 O ATOM 463 CB VAL A 33 6.565 -3.147 -3.375 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.482 -4.340 -3.646 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.111 -3.486 -3.711 1.00 0.00 C ATOM 0 H VAL A 33 5.345 -1.188 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 33 6.356 -3.493 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 33 6.878 -2.330 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.369 -4.658 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.518 -4.051 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.214 -5.163 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.045 -3.822 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.760 -4.278 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.491 -2.600 -3.577 1.00 0.00 H new ATOM 475 N ILE A 34 8.799 -3.367 -0.977 1.00 0.00 N ATOM 476 CA ILE A 34 10.180 -3.214 -0.549 1.00 0.00 C ATOM 477 C ILE A 34 10.872 -4.578 -0.576 1.00 0.00 C ATOM 478 O ILE A 34 10.301 -5.558 -1.053 1.00 0.00 O ATOM 479 CB ILE A 34 10.245 -2.517 0.812 1.00 0.00 C ATOM 480 CG1 ILE A 34 9.220 -3.110 1.780 1.00 0.00 C ATOM 481 CG2 ILE A 34 10.083 -1.003 0.661 1.00 0.00 C ATOM 482 CD1 ILE A 34 9.460 -2.609 3.205 1.00 0.00 C ATOM 0 H ILE A 34 8.403 -4.293 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 34 10.723 -2.568 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 34 11.232 -2.693 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.214 -2.840 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.280 -4.198 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.133 -0.532 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.882 -0.613 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.119 -0.784 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.718 -3.045 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.458 -2.902 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.375 -1.523 3.228 1.00 0.00 H new ATOM 494 N SER A 35 12.092 -4.597 -0.059 1.00 0.00 N ATOM 495 CA SER A 35 12.867 -5.825 -0.018 1.00 0.00 C ATOM 496 C SER A 35 13.336 -6.100 1.412 1.00 0.00 C ATOM 497 O SER A 35 13.681 -5.174 2.145 1.00 0.00 O ATOM 498 CB SER A 35 14.067 -5.750 -0.965 1.00 0.00 C ATOM 499 OG SER A 35 15.092 -6.671 -0.601 1.00 0.00 O ATOM 0 H SER A 35 12.562 -3.782 0.335 1.00 0.00 H new ATOM 0 HA SER A 35 12.228 -6.644 -0.348 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.739 -5.957 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.471 -4.737 -0.960 1.00 0.00 H new ATOM 0 HG SER A 35 15.840 -6.594 -1.230 1.00 0.00 H new ATOM 505 N PRO A 36 13.333 -7.411 1.776 1.00 0.00 N ATOM 506 CA PRO A 36 13.754 -7.819 3.106 1.00 0.00 C ATOM 507 C PRO A 36 15.276 -7.747 3.245 1.00 0.00 C ATOM 508 O PRO A 36 15.971 -8.740 3.031 1.00 0.00 O ATOM 509 CB PRO A 36 13.208 -9.227 3.276 1.00 0.00 C ATOM 510 CG PRO A 36 12.905 -9.729 1.873 1.00 0.00 C ATOM 511 CD PRO A 36 12.932 -8.534 0.935 1.00 0.00 C ATOM 0 HA PRO A 36 13.374 -7.162 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.934 -9.870 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.309 -9.226 3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.641 -10.472 1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.930 -10.215 1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.637 -8.688 0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.954 -8.362 0.485 1.00 0.00 H new ATOM 519 N SER A 37 15.750 -6.563 3.605 1.00 0.00 N ATOM 520 CA SER A 37 17.177 -6.348 3.776 1.00 0.00 C ATOM 521 C SER A 37 17.529 -6.336 5.264 1.00 0.00 C ATOM 522 O SER A 37 18.320 -7.158 5.726 1.00 0.00 O ATOM 523 CB SER A 37 17.620 -5.042 3.116 1.00 0.00 C ATOM 524 OG SER A 37 19.035 -4.872 3.166 1.00 0.00 O ATOM 0 H SER A 37 15.171 -5.742 3.783 1.00 0.00 H new ATOM 0 HA SER A 37 17.707 -7.167 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 37 17.290 -5.030 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 37 17.136 -4.202 3.614 1.00 0.00 H new ATOM 0 HG SER A 37 19.279 -4.027 2.733 1.00 0.00 H new ATOM 530 N CYS A 38 16.925 -5.396 5.976 1.00 0.00 N ATOM 531 CA CYS A 38 17.165 -5.266 7.403 1.00 0.00 C ATOM 532 C CYS A 38 16.699 -6.554 8.087 1.00 0.00 C ATOM 533 O CYS A 38 17.488 -7.232 8.744 1.00 0.00 O ATOM 534 CB CYS A 38 16.476 -4.030 7.983 1.00 0.00 C ATOM 535 SG CYS A 38 17.560 -3.232 9.221 1.00 0.00 S ATOM 0 H CYS A 38 16.269 -4.716 5.591 1.00 0.00 H new ATOM 0 HA CYS A 38 18.230 -5.124 7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.242 -3.326 7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.530 -4.314 8.445 1.00 0.00 H new ATOM 0 HG CYS A 38 16.966 -2.182 9.705 1.00 0.00 H new ATOM 541 N ASN A 39 15.420 -6.850 7.911 1.00 0.00 N ATOM 542 CA ASN A 39 14.840 -8.043 8.503 1.00 0.00 C ATOM 543 C ASN A 39 15.522 -9.281 7.918 1.00 0.00 C ATOM 544 O ASN A 39 16.300 -9.177 6.970 1.00 0.00 O ATOM 545 CB ASN A 39 13.344 -8.139 8.196 1.00 0.00 C ATOM 546 CG ASN A 39 13.064 -7.821 6.725 1.00 0.00 C ATOM 547 OD1 ASN A 39 13.236 -8.646 5.842 1.00 0.00 O ATOM 548 ND2 ASN A 39 12.626 -6.584 6.513 1.00 0.00 N ATOM 0 H ASN A 39 14.769 -6.284 7.367 1.00 0.00 H new ATOM 0 HA ASN A 39 14.984 -7.988 9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.985 -9.141 8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.793 -7.446 8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.411 -6.274 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.504 -5.944 7.298 1.00 0.00 H new ATOM 555 N ASP A 40 15.208 -10.426 8.507 1.00 0.00 N ATOM 556 CA ASP A 40 15.780 -11.682 8.055 1.00 0.00 C ATOM 557 C ASP A 40 14.766 -12.807 8.272 1.00 0.00 C ATOM 558 O ASP A 40 14.365 -13.479 7.322 1.00 0.00 O ATOM 559 CB ASP A 40 17.044 -12.027 8.846 1.00 0.00 C ATOM 560 CG ASP A 40 17.702 -13.355 8.466 1.00 0.00 C ATOM 561 OD1 ASP A 40 17.280 -13.924 7.436 1.00 0.00 O ATOM 562 OD2 ASP A 40 18.613 -13.771 9.215 1.00 0.00 O ATOM 0 H ASP A 40 14.564 -10.509 9.294 1.00 0.00 H new ATOM 0 HA ASP A 40 16.031 -11.578 6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.771 -11.226 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.795 -12.053 9.907 1.00 0.00 H new ATOM 567 N ASP A 41 14.379 -12.979 9.528 1.00 0.00 N ATOM 568 CA ASP A 41 13.420 -14.011 9.882 1.00 0.00 C ATOM 569 C ASP A 41 12.244 -13.964 8.905 1.00 0.00 C ATOM 570 O ASP A 41 11.857 -14.987 8.343 1.00 0.00 O ATOM 571 CB ASP A 41 12.872 -13.792 11.293 1.00 0.00 C ATOM 572 CG ASP A 41 13.568 -14.600 12.389 1.00 0.00 C ATOM 573 OD1 ASP A 41 14.124 -15.665 12.044 1.00 0.00 O ATOM 574 OD2 ASP A 41 13.528 -14.136 13.549 1.00 0.00 O ATOM 0 H ASP A 41 14.713 -12.420 10.313 1.00 0.00 H new ATOM 0 HA ASP A 41 13.929 -14.974 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.952 -12.733 11.537 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.811 -14.041 11.297 1.00 0.00 H new ATOM 579 N ILE A 42 11.707 -12.764 8.732 1.00 0.00 N ATOM 580 CA ILE A 42 10.583 -12.570 7.832 1.00 0.00 C ATOM 581 C ILE A 42 10.795 -13.408 6.570 1.00 0.00 C ATOM 582 O ILE A 42 11.514 -12.997 5.661 1.00 0.00 O ATOM 583 CB ILE A 42 10.370 -11.081 7.554 1.00 0.00 C ATOM 584 CG1 ILE A 42 9.980 -10.335 8.831 1.00 0.00 C ATOM 585 CG2 ILE A 42 9.349 -10.873 6.434 1.00 0.00 C ATOM 586 CD1 ILE A 42 10.014 -8.820 8.612 1.00 0.00 C ATOM 0 H ILE A 42 12.030 -11.917 9.200 1.00 0.00 H new ATOM 0 HA ILE A 42 9.660 -12.919 8.295 1.00 0.00 H new ATOM 0 HB ILE A 42 11.315 -10.659 7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.981 -10.639 9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.662 -10.605 9.637 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.216 -9.806 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.707 -11.351 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.395 -11.314 6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.733 -8.313 9.535 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.020 -8.517 8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.313 -8.551 7.822 1.00 0.00 H new ATOM 598 N THR A 43 10.154 -14.568 6.554 1.00 0.00 N ATOM 599 CA THR A 43 10.264 -15.468 5.418 1.00 0.00 C ATOM 600 C THR A 43 9.332 -15.019 4.291 1.00 0.00 C ATOM 601 O THR A 43 8.112 -15.013 4.453 1.00 0.00 O ATOM 602 CB THR A 43 9.981 -16.888 5.910 1.00 0.00 C ATOM 603 OG1 THR A 43 11.220 -17.315 6.470 1.00 0.00 O ATOM 604 CG2 THR A 43 9.735 -17.868 4.761 1.00 0.00 C ATOM 0 H THR A 43 9.557 -14.905 7.309 1.00 0.00 H new ATOM 0 HA THR A 43 11.268 -15.450 4.995 1.00 0.00 H new ATOM 0 HB THR A 43 9.113 -16.877 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.535 -16.647 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.539 -18.861 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.875 -17.537 4.179 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.615 -17.905 4.119 1.00 0.00 H new ATOM 612 N VAL A 44 9.942 -14.653 3.172 1.00 0.00 N ATOM 613 CA VAL A 44 9.182 -14.203 2.019 1.00 0.00 C ATOM 614 C VAL A 44 9.286 -15.248 0.906 1.00 0.00 C ATOM 615 O VAL A 44 10.368 -15.490 0.376 1.00 0.00 O ATOM 616 CB VAL A 44 9.663 -12.817 1.583 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.014 -12.403 0.261 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.398 -11.778 2.673 1.00 0.00 C ATOM 0 H VAL A 44 10.953 -14.659 3.040 1.00 0.00 H new ATOM 0 HA VAL A 44 8.127 -14.101 2.273 1.00 0.00 H new ATOM 0 HB VAL A 44 10.740 -12.870 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.373 -11.415 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.275 -13.123 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.931 -12.375 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.749 -10.802 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.328 -11.729 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.928 -12.062 3.583 1.00 0.00 H new ATOM 628 N LYS A 45 8.144 -15.840 0.586 1.00 0.00 N ATOM 629 CA LYS A 45 8.092 -16.855 -0.453 1.00 0.00 C ATOM 630 C LYS A 45 8.756 -16.314 -1.720 1.00 0.00 C ATOM 631 O LYS A 45 9.216 -15.173 -1.746 1.00 0.00 O ATOM 632 CB LYS A 45 6.654 -17.330 -0.667 1.00 0.00 C ATOM 633 CG LYS A 45 6.093 -17.969 0.605 1.00 0.00 C ATOM 634 CD LYS A 45 7.022 -19.070 1.122 1.00 0.00 C ATOM 635 CE LYS A 45 6.220 -20.255 1.661 1.00 0.00 C ATOM 636 NZ LYS A 45 6.942 -21.524 1.416 1.00 0.00 N ATOM 0 H LYS A 45 7.248 -15.636 1.028 1.00 0.00 H new ATOM 0 HA LYS A 45 8.653 -17.739 -0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.029 -16.487 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.623 -18.050 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.965 -17.206 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.107 -18.386 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.677 -19.405 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.662 -18.671 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.047 -20.129 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.242 -20.288 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.384 -22.319 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.085 -21.650 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.865 -21.496 1.894 1.00 0.00 H new ATOM 650 N LYS A 46 8.784 -17.157 -2.743 1.00 0.00 N ATOM 651 CA LYS A 46 9.383 -16.778 -4.010 1.00 0.00 C ATOM 652 C LYS A 46 8.412 -15.883 -4.781 1.00 0.00 C ATOM 653 O LYS A 46 8.829 -14.932 -5.441 1.00 0.00 O ATOM 654 CB LYS A 46 9.824 -18.020 -4.787 1.00 0.00 C ATOM 655 CG LYS A 46 10.408 -17.636 -6.148 1.00 0.00 C ATOM 656 CD LYS A 46 10.511 -18.857 -7.065 1.00 0.00 C ATOM 657 CE LYS A 46 11.939 -19.037 -7.582 1.00 0.00 C ATOM 658 NZ LYS A 46 11.928 -19.613 -8.946 1.00 0.00 N ATOM 0 H LYS A 46 8.401 -18.102 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 46 10.289 -16.196 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.568 -18.569 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.973 -18.687 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.781 -16.877 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.395 -17.194 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.202 -19.750 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.828 -18.743 -7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.453 -18.076 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.496 -19.690 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.905 -19.729 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.456 -20.540 -8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.415 -18.976 -9.588 1.00 0.00 H new ATOM 672 N ASP A 47 7.135 -16.218 -4.672 1.00 0.00 N ATOM 673 CA ASP A 47 6.101 -15.456 -5.351 1.00 0.00 C ATOM 674 C ASP A 47 5.525 -14.415 -4.389 1.00 0.00 C ATOM 675 O ASP A 47 4.384 -13.984 -4.545 1.00 0.00 O ATOM 676 CB ASP A 47 4.956 -16.364 -5.805 1.00 0.00 C ATOM 677 CG ASP A 47 4.362 -16.022 -7.173 1.00 0.00 C ATOM 678 OD1 ASP A 47 5.168 -15.809 -8.104 1.00 0.00 O ATOM 679 OD2 ASP A 47 3.116 -15.980 -7.256 1.00 0.00 O ATOM 0 H ASP A 47 6.793 -17.007 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 47 6.551 -14.979 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.316 -17.393 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.162 -16.322 -5.060 1.00 0.00 H new ATOM 684 N GLN A 48 6.342 -14.042 -3.415 1.00 0.00 N ATOM 685 CA GLN A 48 5.927 -13.059 -2.428 1.00 0.00 C ATOM 686 C GLN A 48 6.982 -11.958 -2.301 1.00 0.00 C ATOM 687 O GLN A 48 8.153 -12.176 -2.605 1.00 0.00 O ATOM 688 CB GLN A 48 5.661 -13.721 -1.074 1.00 0.00 C ATOM 689 CG GLN A 48 4.337 -14.487 -1.090 1.00 0.00 C ATOM 690 CD GLN A 48 4.137 -15.264 0.214 1.00 0.00 C ATOM 691 OE1 GLN A 48 4.925 -15.183 1.142 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.042 -16.019 0.231 1.00 0.00 N ATOM 0 H GLN A 48 7.288 -14.402 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 48 4.994 -12.606 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.477 -14.402 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.637 -12.962 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.511 -13.790 -1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.322 -15.176 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.425 -16.041 -0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.820 -16.576 1.056 1.00 0.00 H new ATOM 701 N CYS A 49 6.528 -10.797 -1.851 1.00 0.00 N ATOM 702 CA CYS A 49 7.417 -9.661 -1.679 1.00 0.00 C ATOM 703 C CYS A 49 6.958 -8.871 -0.453 1.00 0.00 C ATOM 704 O CYS A 49 5.790 -8.936 -0.069 1.00 0.00 O ATOM 705 CB CYS A 49 7.466 -8.787 -2.935 1.00 0.00 C ATOM 706 SG CYS A 49 9.203 -8.416 -3.372 1.00 0.00 S ATOM 0 H CYS A 49 5.555 -10.619 -1.600 1.00 0.00 H new ATOM 0 HA CYS A 49 8.436 -10.015 -1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.975 -9.298 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.919 -7.860 -2.764 1.00 0.00 H new ATOM 0 HG CYS A 49 9.233 -7.676 -4.440 1.00 0.00 H new ATOM 712 N LEU A 50 7.900 -8.144 0.131 1.00 0.00 N ATOM 713 CA LEU A 50 7.605 -7.343 1.308 1.00 0.00 C ATOM 714 C LEU A 50 7.067 -5.980 0.869 1.00 0.00 C ATOM 715 O LEU A 50 7.532 -5.413 -0.118 1.00 0.00 O ATOM 716 CB LEU A 50 8.833 -7.256 2.216 1.00 0.00 C ATOM 717 CG LEU A 50 8.625 -6.552 3.558 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.543 -7.250 4.383 1.00 0.00 C ATOM 719 CD2 LEU A 50 9.944 -6.433 4.325 1.00 0.00 C ATOM 0 H LEU A 50 8.867 -8.093 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 50 6.826 -7.816 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.189 -8.268 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.625 -6.738 1.675 1.00 0.00 H new ATOM 0 HG LEU A 50 8.274 -5.539 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.416 -6.729 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.602 -7.238 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.839 -8.282 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.768 -5.929 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.348 -7.428 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.657 -5.857 3.735 1.00 0.00 H new ATOM 731 N VAL A 51 6.093 -5.494 1.624 1.00 0.00 N ATOM 732 CA VAL A 51 5.485 -4.208 1.327 1.00 0.00 C ATOM 733 C VAL A 51 5.255 -3.443 2.631 1.00 0.00 C ATOM 734 O VAL A 51 5.290 -4.028 3.712 1.00 0.00 O ATOM 735 CB VAL A 51 4.202 -4.411 0.518 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.440 -5.355 -0.661 1.00 0.00 C ATOM 737 CG2 VAL A 51 3.068 -4.921 1.408 1.00 0.00 C ATOM 0 H VAL A 51 5.709 -5.968 2.442 1.00 0.00 H new ATOM 0 HA VAL A 51 6.151 -3.604 0.710 1.00 0.00 H new ATOM 0 HB VAL A 51 3.903 -3.443 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.512 -5.482 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.203 -4.934 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.775 -6.323 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.168 -5.057 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.355 -5.874 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.872 -4.196 2.198 1.00 0.00 H new ATOM 747 N ARG A 52 5.026 -2.146 2.487 1.00 0.00 N ATOM 748 CA ARG A 52 4.790 -1.295 3.640 1.00 0.00 C ATOM 749 C ARG A 52 3.424 -0.615 3.528 1.00 0.00 C ATOM 750 O ARG A 52 3.252 0.316 2.742 1.00 0.00 O ATOM 751 CB ARG A 52 5.876 -0.224 3.766 1.00 0.00 C ATOM 752 CG ARG A 52 5.976 0.289 5.204 1.00 0.00 C ATOM 753 CD ARG A 52 7.408 0.171 5.730 1.00 0.00 C ATOM 754 NE ARG A 52 7.395 0.008 7.200 1.00 0.00 N ATOM 755 CZ ARG A 52 8.439 0.278 7.995 1.00 0.00 C ATOM 756 NH1 ARG A 52 9.587 0.725 7.466 1.00 0.00 N ATOM 757 NH2 ARG A 52 8.337 0.099 9.319 1.00 0.00 N ATOM 0 H ARG A 52 4.999 -1.664 1.589 1.00 0.00 H new ATOM 0 HA ARG A 52 4.813 -1.927 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.836 -0.636 3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.653 0.605 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.654 1.330 5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.302 -0.279 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.906 -0.680 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.978 1.060 5.459 1.00 0.00 H new ATOM 0 HE ARG A 52 6.537 -0.331 7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.666 0.860 6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.382 0.930 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.464 -0.243 9.722 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.132 0.305 9.924 1.00 0.00 H new ATOM 771 N SER A 53 2.487 -1.106 4.326 1.00 0.00 N ATOM 772 CA SER A 53 1.141 -0.557 4.326 1.00 0.00 C ATOM 773 C SER A 53 1.174 0.909 4.762 1.00 0.00 C ATOM 774 O SER A 53 2.074 1.323 5.493 1.00 0.00 O ATOM 775 CB SER A 53 0.218 -1.363 5.242 1.00 0.00 C ATOM 776 OG SER A 53 -1.148 -1.252 4.853 1.00 0.00 O ATOM 0 H SER A 53 2.633 -1.878 4.977 1.00 0.00 H new ATOM 0 HA SER A 53 0.746 -0.619 3.312 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.516 -2.411 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.332 -1.015 6.269 1.00 0.00 H new ATOM 0 HG SER A 53 -1.406 -2.043 4.336 1.00 0.00 H new ATOM 782 N PHE A 54 0.182 1.654 4.297 1.00 0.00 N ATOM 783 CA PHE A 54 0.087 3.065 4.629 1.00 0.00 C ATOM 784 C PHE A 54 -1.091 3.327 5.571 1.00 0.00 C ATOM 785 O PHE A 54 -1.518 4.469 5.734 1.00 0.00 O ATOM 786 CB PHE A 54 -0.147 3.819 3.319 1.00 0.00 C ATOM 787 CG PHE A 54 1.096 3.929 2.434 1.00 0.00 C ATOM 788 CD1 PHE A 54 2.029 4.886 2.689 1.00 0.00 C ATOM 789 CD2 PHE A 54 1.269 3.070 1.395 1.00 0.00 C ATOM 790 CE1 PHE A 54 3.183 4.988 1.868 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.424 3.172 0.574 1.00 0.00 C ATOM 792 CZ PHE A 54 3.357 4.129 0.827 1.00 0.00 C ATOM 0 H PHE A 54 -0.563 1.307 3.693 1.00 0.00 H new ATOM 0 HA PHE A 54 0.999 3.392 5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.936 3.317 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.507 4.822 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.892 5.568 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.529 2.310 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.923 5.748 2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.561 2.489 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.235 4.207 0.203 1.00 0.00 H new ATOM 802 N ILE A 55 -1.581 2.250 6.167 1.00 0.00 N ATOM 803 CA ILE A 55 -2.700 2.350 7.089 1.00 0.00 C ATOM 804 C ILE A 55 -2.179 2.290 8.526 1.00 0.00 C ATOM 805 O ILE A 55 -2.301 3.258 9.275 1.00 0.00 O ATOM 806 CB ILE A 55 -3.751 1.284 6.772 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.336 1.489 5.373 1.00 0.00 C ATOM 808 CG2 ILE A 55 -4.838 1.249 7.848 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.171 0.281 4.945 1.00 0.00 C ATOM 0 H ILE A 55 -1.224 1.304 6.030 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.205 3.309 6.972 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.262 0.310 6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.955 2.386 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.529 1.650 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.572 0.483 7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.387 1.019 8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.330 2.220 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.575 0.453 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.543 -0.610 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.991 0.138 5.649 1.00 0.00 H new ATOM 821 N ASP A 56 -1.608 1.144 8.868 1.00 0.00 N ATOM 822 CA ASP A 56 -1.067 0.946 10.202 1.00 0.00 C ATOM 823 C ASP A 56 0.461 0.991 10.141 1.00 0.00 C ATOM 824 O ASP A 56 1.127 0.996 11.175 1.00 0.00 O ATOM 825 CB ASP A 56 -1.478 -0.414 10.766 1.00 0.00 C ATOM 826 CG ASP A 56 -1.192 -0.610 12.256 1.00 0.00 C ATOM 827 OD1 ASP A 56 0.007 -0.707 12.597 1.00 0.00 O ATOM 828 OD2 ASP A 56 -2.179 -0.659 13.022 1.00 0.00 O ATOM 0 H ASP A 56 -1.508 0.343 8.244 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.457 1.736 10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.545 -0.554 10.595 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.961 -1.194 10.207 1.00 0.00 H new ATOM 833 N SER A 57 0.972 1.025 8.918 1.00 0.00 N ATOM 834 CA SER A 57 2.409 1.069 8.708 1.00 0.00 C ATOM 835 C SER A 57 3.055 -0.212 9.239 1.00 0.00 C ATOM 836 O SER A 57 3.959 -0.157 10.070 1.00 0.00 O ATOM 837 CB SER A 57 3.026 2.295 9.384 1.00 0.00 C ATOM 838 OG SER A 57 4.445 2.203 9.462 1.00 0.00 O ATOM 0 H SER A 57 0.416 1.023 8.063 1.00 0.00 H new ATOM 0 HA SER A 57 2.597 1.145 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.751 3.192 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.614 2.402 10.387 1.00 0.00 H new ATOM 0 HG SER A 57 4.848 2.964 8.995 1.00 0.00 H new ATOM 844 N LYS A 58 2.565 -1.336 8.736 1.00 0.00 N ATOM 845 CA LYS A 58 3.084 -2.629 9.149 1.00 0.00 C ATOM 846 C LYS A 58 3.729 -3.322 7.947 1.00 0.00 C ATOM 847 O LYS A 58 3.577 -2.874 6.811 1.00 0.00 O ATOM 848 CB LYS A 58 1.987 -3.458 9.819 1.00 0.00 C ATOM 849 CG LYS A 58 1.661 -2.911 11.210 1.00 0.00 C ATOM 850 CD LYS A 58 2.338 -3.745 12.300 1.00 0.00 C ATOM 851 CE LYS A 58 1.658 -5.107 12.449 1.00 0.00 C ATOM 852 NZ LYS A 58 2.439 -5.978 13.357 1.00 0.00 N ATOM 0 H LYS A 58 1.814 -1.378 8.047 1.00 0.00 H new ATOM 0 HA LYS A 58 3.862 -2.504 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.089 -3.448 9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.308 -4.497 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.990 -1.874 11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.582 -2.914 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.391 -3.885 12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.300 -3.210 13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.649 -4.976 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.563 -5.582 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.964 -6.899 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.394 -6.117 12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.508 -5.530 14.293 1.00 0.00 H new ATOM 866 N PHE A 59 4.438 -4.403 8.238 1.00 0.00 N ATOM 867 CA PHE A 59 5.107 -5.162 7.196 1.00 0.00 C ATOM 868 C PHE A 59 4.311 -6.417 6.834 1.00 0.00 C ATOM 869 O PHE A 59 4.161 -7.320 7.655 1.00 0.00 O ATOM 870 CB PHE A 59 6.470 -5.580 7.751 1.00 0.00 C ATOM 871 CG PHE A 59 7.480 -4.435 7.849 1.00 0.00 C ATOM 872 CD1 PHE A 59 7.972 -3.864 6.716 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.887 -3.988 9.067 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.910 -2.801 6.806 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.825 -2.927 9.157 1.00 0.00 C ATOM 876 CZ PHE A 59 9.316 -2.355 8.025 1.00 0.00 C ATOM 0 H PHE A 59 4.563 -4.771 9.181 1.00 0.00 H new ATOM 0 HA PHE A 59 5.203 -4.553 6.297 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.330 -6.013 8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.885 -6.363 7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.649 -4.219 5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.496 -4.441 9.966 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.300 -2.347 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.149 -2.574 10.125 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.029 -1.546 8.094 1.00 0.00 H new ATOM 886 N TYR A 60 3.821 -6.434 5.603 1.00 0.00 N ATOM 887 CA TYR A 60 3.043 -7.563 5.121 1.00 0.00 C ATOM 888 C TYR A 60 3.751 -8.259 3.956 1.00 0.00 C ATOM 889 O TYR A 60 4.572 -7.651 3.272 1.00 0.00 O ATOM 890 CB TYR A 60 1.718 -6.982 4.625 1.00 0.00 C ATOM 891 CG TYR A 60 0.781 -6.523 5.744 1.00 0.00 C ATOM 892 CD1 TYR A 60 -0.087 -7.423 6.328 1.00 0.00 C ATOM 893 CD2 TYR A 60 0.805 -5.211 6.169 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.968 -6.991 7.383 1.00 0.00 C ATOM 895 CE2 TYR A 60 -0.077 -4.779 7.223 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.920 -5.691 7.777 1.00 0.00 C ATOM 897 OH TYR A 60 -1.754 -5.283 8.773 1.00 0.00 O ATOM 0 H TYR A 60 3.948 -5.683 4.924 1.00 0.00 H new ATOM 0 HA TYR A 60 2.905 -8.300 5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.927 -6.136 3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.207 -7.733 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.106 -8.450 5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.485 -4.508 5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.651 -7.685 7.850 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.069 -3.755 7.565 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.609 -4.330 8.951 1.00 0.00 H new ATOM 907 N SER A 61 3.405 -9.524 3.767 1.00 0.00 N ATOM 908 CA SER A 61 3.995 -10.309 2.696 1.00 0.00 C ATOM 909 C SER A 61 2.905 -10.794 1.740 1.00 0.00 C ATOM 910 O SER A 61 2.204 -11.762 2.032 1.00 0.00 O ATOM 911 CB SER A 61 4.780 -11.498 3.254 1.00 0.00 C ATOM 912 OG SER A 61 4.318 -11.883 4.546 1.00 0.00 O ATOM 0 H SER A 61 2.724 -10.025 4.337 1.00 0.00 H new ATOM 0 HA SER A 61 4.691 -9.673 2.149 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.693 -12.343 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.838 -11.241 3.309 1.00 0.00 H new ATOM 0 HG SER A 61 4.843 -12.646 4.867 1.00 0.00 H new ATOM 918 N ILE A 62 2.795 -10.099 0.617 1.00 0.00 N ATOM 919 CA ILE A 62 1.801 -10.447 -0.385 1.00 0.00 C ATOM 920 C ILE A 62 2.507 -10.975 -1.635 1.00 0.00 C ATOM 921 O ILE A 62 3.734 -11.024 -1.685 1.00 0.00 O ATOM 922 CB ILE A 62 0.875 -9.259 -0.656 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.194 -8.091 0.280 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.593 -9.678 -0.572 1.00 0.00 C ATOM 925 CD1 ILE A 62 0.980 -8.488 1.742 1.00 0.00 C ATOM 0 H ILE A 62 3.378 -9.297 0.379 1.00 0.00 H new ATOM 0 HA ILE A 62 1.156 -11.247 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 62 1.052 -8.913 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.226 -7.773 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.560 -7.239 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.229 -8.815 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.793 -10.453 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.804 -10.065 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.213 -7.641 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.059 -8.782 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.633 -9.324 1.991 1.00 0.00 H new ATOM 937 N ALA A 63 1.700 -11.358 -2.613 1.00 0.00 N ATOM 938 CA ALA A 63 2.232 -11.881 -3.861 1.00 0.00 C ATOM 939 C ALA A 63 2.183 -10.787 -4.930 1.00 0.00 C ATOM 940 O ALA A 63 1.197 -10.058 -5.031 1.00 0.00 O ATOM 941 CB ALA A 63 1.446 -13.129 -4.267 1.00 0.00 C ATOM 0 H ALA A 63 0.682 -11.317 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 63 3.274 -12.177 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.844 -13.522 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.537 -13.886 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.396 -12.870 -4.400 1.00 0.00 H new ATOM 947 N ARG A 64 3.258 -10.708 -5.699 1.00 0.00 N ATOM 948 CA ARG A 64 3.350 -9.715 -6.757 1.00 0.00 C ATOM 949 C ARG A 64 2.180 -9.869 -7.731 1.00 0.00 C ATOM 950 O ARG A 64 1.890 -8.957 -8.505 1.00 0.00 O ATOM 951 CB ARG A 64 4.666 -9.850 -7.525 1.00 0.00 C ATOM 952 CG ARG A 64 5.275 -8.476 -7.814 1.00 0.00 C ATOM 953 CD ARG A 64 6.599 -8.295 -7.071 1.00 0.00 C ATOM 954 NE ARG A 64 7.732 -8.586 -7.978 1.00 0.00 N ATOM 955 CZ ARG A 64 8.170 -7.747 -8.926 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.572 -6.559 -9.098 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.205 -8.094 -9.703 1.00 0.00 N ATOM 0 H ARG A 64 4.073 -11.315 -5.611 1.00 0.00 H new ATOM 0 HA ARG A 64 3.313 -8.730 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.369 -10.449 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.492 -10.379 -8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.438 -8.365 -8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.576 -7.695 -7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.677 -7.275 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.634 -8.959 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 64 8.209 -9.482 -7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.784 -6.294 -8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.905 -5.920 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.660 -8.998 -9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.538 -7.455 -10.425 1.00 0.00 H new ATOM 971 N LYS A 65 1.541 -11.026 -7.662 1.00 0.00 N ATOM 972 CA LYS A 65 0.410 -11.311 -8.528 1.00 0.00 C ATOM 973 C LYS A 65 -0.835 -10.610 -7.980 1.00 0.00 C ATOM 974 O LYS A 65 -1.815 -10.425 -8.700 1.00 0.00 O ATOM 975 CB LYS A 65 0.238 -12.821 -8.707 1.00 0.00 C ATOM 976 CG LYS A 65 -0.052 -13.502 -7.367 1.00 0.00 C ATOM 977 CD LYS A 65 -1.168 -14.538 -7.509 1.00 0.00 C ATOM 978 CE LYS A 65 -0.605 -15.960 -7.470 1.00 0.00 C ATOM 979 NZ LYS A 65 -1.378 -16.849 -8.365 1.00 0.00 N ATOM 0 H LYS A 65 1.785 -11.779 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 65 0.586 -10.914 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.577 -13.018 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.141 -13.244 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.852 -13.985 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.338 -12.753 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.894 -14.408 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.699 -14.379 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.442 -15.951 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.639 -16.343 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.982 -17.810 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.372 -16.871 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.324 -16.492 -9.340 1.00 0.00 H new ATOM 993 N ASP A 66 -0.756 -10.239 -6.710 1.00 0.00 N ATOM 994 CA ASP A 66 -1.863 -9.563 -6.058 1.00 0.00 C ATOM 995 C ASP A 66 -1.676 -8.050 -6.182 1.00 0.00 C ATOM 996 O ASP A 66 -2.625 -7.286 -6.002 1.00 0.00 O ATOM 997 CB ASP A 66 -1.923 -9.913 -4.569 1.00 0.00 C ATOM 998 CG ASP A 66 -1.429 -11.316 -4.215 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.759 -12.246 -4.982 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.731 -11.429 -3.183 1.00 0.00 O ATOM 0 H ASP A 66 0.058 -10.394 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.786 -9.885 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.330 -9.185 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.953 -9.810 -4.228 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.447 -7.662 -6.486 1.00 0.00 N ATOM 1006 CA ILE A 67 -0.123 -6.252 -6.636 1.00 0.00 C ATOM 1007 C ILE A 67 -0.456 -5.806 -8.060 1.00 0.00 C ATOM 1008 O ILE A 67 -0.341 -6.587 -9.003 1.00 0.00 O ATOM 1009 CB ILE A 67 1.330 -5.992 -6.234 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.671 -6.695 -4.918 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.621 -4.491 -6.173 1.00 0.00 C ATOM 1012 CD1 ILE A 67 3.137 -6.473 -4.540 1.00 0.00 C ATOM 0 H ILE A 67 0.337 -8.298 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.730 -5.647 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 67 1.977 -6.416 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.026 -6.319 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.474 -7.763 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.660 -4.333 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.444 -4.046 -7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.966 -4.023 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.352 -6.983 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.780 -6.872 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.325 -5.406 -4.424 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.864 -4.550 -8.172 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.215 -3.989 -9.465 1.00 0.00 C ATOM 1026 C LYS A 68 -1.281 -2.465 -9.354 1.00 0.00 C ATOM 1027 O LYS A 68 -1.688 -1.931 -8.324 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.504 -4.624 -9.992 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.590 -4.636 -8.914 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.445 -3.368 -8.983 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.595 -3.537 -9.979 1.00 0.00 C ATOM 1032 NZ LYS A 68 -6.349 -2.271 -10.118 1.00 0.00 N ATOM 0 H LYS A 68 -0.959 -3.905 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.447 -4.222 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.857 -4.071 -10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.303 -5.643 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.224 -5.514 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.129 -4.715 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.845 -3.140 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.824 -2.522 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.202 -3.842 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.263 -4.330 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.126 -2.402 -10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.740 -1.996 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.712 -1.524 -10.461 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.876 -1.808 -10.431 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.884 -0.354 -10.467 1.00 0.00 C ATOM 1048 C GLU A 69 -2.113 0.188 -9.736 1.00 0.00 C ATOM 1049 O GLU A 69 -3.147 -0.475 -9.676 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.833 0.158 -11.908 1.00 0.00 C ATOM 1051 CG GLU A 69 -0.167 1.534 -11.978 1.00 0.00 C ATOM 1052 CD GLU A 69 -1.171 2.607 -12.404 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -2.335 2.505 -11.961 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -0.751 3.507 -13.164 1.00 0.00 O ATOM 0 H GLU A 69 -0.540 -2.254 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 69 0.008 0.008 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.283 -0.548 -12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.843 0.218 -12.312 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.252 1.789 -11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.662 1.505 -12.685 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.959 1.389 -9.198 1.00 0.00 N ATOM 1062 CA VAL A 70 -3.044 2.029 -8.472 1.00 0.00 C ATOM 1063 C VAL A 70 -3.180 3.479 -8.941 1.00 0.00 C ATOM 1064 O VAL A 70 -2.269 4.021 -9.565 1.00 0.00 O ATOM 1065 CB VAL A 70 -2.809 1.906 -6.965 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -1.546 2.660 -6.545 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.027 2.395 -6.180 1.00 0.00 C ATOM 0 H VAL A 70 -1.100 1.936 -9.250 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.991 1.530 -8.681 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.662 0.851 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.401 2.557 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.684 2.246 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.651 3.715 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.835 2.297 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.219 3.441 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.897 1.796 -6.448 1.00 0.00 H new ATOM 1077 N ASP A 71 -4.324 4.066 -8.621 1.00 0.00 N ATOM 1078 CA ASP A 71 -4.591 5.442 -9.001 1.00 0.00 C ATOM 1079 C ASP A 71 -4.811 6.281 -7.741 1.00 0.00 C ATOM 1080 O ASP A 71 -5.731 7.096 -7.687 1.00 0.00 O ATOM 1081 CB ASP A 71 -5.852 5.542 -9.862 1.00 0.00 C ATOM 1082 CG ASP A 71 -5.602 5.601 -11.370 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -4.422 5.459 -11.756 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -6.597 5.788 -12.104 1.00 0.00 O ATOM 0 H ASP A 71 -5.077 3.613 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.736 5.806 -9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.489 4.684 -9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.406 6.432 -9.566 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.952 6.052 -6.758 1.00 0.00 N ATOM 1090 CA ILE A 72 -4.042 6.777 -5.502 1.00 0.00 C ATOM 1091 C ILE A 72 -4.176 8.273 -5.790 1.00 0.00 C ATOM 1092 O ILE A 72 -5.176 8.892 -5.427 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.859 6.428 -4.597 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.846 4.936 -4.262 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -2.857 7.298 -3.339 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -4.247 4.443 -3.897 1.00 0.00 C ATOM 0 H ILE A 72 -3.191 5.375 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.934 6.477 -4.952 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.938 6.643 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.469 4.372 -5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.164 4.752 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.006 7.030 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.782 8.348 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.781 7.137 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.209 3.379 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.611 4.992 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.921 4.606 -4.738 1.00 0.00 H new ATOM 1108 N LEU A 73 -3.156 8.812 -6.441 1.00 0.00 N ATOM 1109 CA LEU A 73 -3.147 10.225 -6.782 1.00 0.00 C ATOM 1110 C LEU A 73 -4.232 10.499 -7.825 1.00 0.00 C ATOM 1111 O LEU A 73 -4.502 11.654 -8.155 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.748 10.661 -7.219 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.891 11.339 -6.148 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.341 12.001 -6.768 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.720 12.326 -5.325 1.00 0.00 C ATOM 0 H LEU A 73 -2.329 8.296 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.385 10.831 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.213 9.784 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.849 11.345 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.532 10.571 -5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.932 12.475 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.945 11.246 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.025 12.754 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.086 12.794 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.129 13.094 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.536 11.795 -4.834 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.824 9.421 -8.315 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.874 9.531 -9.314 1.00 0.00 C ATOM 1129 C ASN A 74 -7.224 9.225 -8.664 1.00 0.00 C ATOM 1130 O ASN A 74 -8.229 9.068 -9.357 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.659 8.531 -10.451 1.00 0.00 C ATOM 1132 CG ASN A 74 -5.095 9.224 -11.693 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -5.812 9.807 -12.489 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -3.773 9.130 -11.812 1.00 0.00 N ATOM 0 H ASN A 74 -4.597 8.466 -8.039 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.852 10.544 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.975 7.747 -10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.604 8.047 -10.698 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.301 9.561 -12.606 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.232 8.627 -11.109 1.00 0.00 H new ATOM 1141 N LEU A 75 -7.206 9.150 -7.341 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.417 8.867 -6.590 1.00 0.00 C ATOM 1143 C LEU A 75 -9.096 10.184 -6.209 1.00 0.00 C ATOM 1144 O LEU A 75 -8.448 11.227 -6.155 1.00 0.00 O ATOM 1145 CB LEU A 75 -8.107 7.966 -5.394 1.00 0.00 C ATOM 1146 CG LEU A 75 -8.040 6.465 -5.684 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.652 5.681 -4.429 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.353 5.964 -6.288 1.00 0.00 C ATOM 0 H LEU A 75 -6.371 9.280 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.125 8.310 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.153 8.276 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.867 8.135 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.259 6.295 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.612 4.617 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.674 6.013 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.393 5.853 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.278 4.894 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.169 6.149 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.549 6.492 -7.222 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.427 10.089 -5.948 1.00 0.00 N ATOM 1161 CA PRO A 76 -11.201 11.260 -5.573 1.00 0.00 C ATOM 1162 C PRO A 76 -10.912 11.670 -4.128 1.00 0.00 C ATOM 1163 O PRO A 76 -10.780 10.816 -3.252 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.652 10.863 -5.799 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.664 9.344 -5.845 1.00 0.00 C ATOM 1166 CD PRO A 76 -11.228 8.869 -6.002 1.00 0.00 C ATOM 0 HA PRO A 76 -10.946 12.139 -6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.289 11.235 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.033 11.285 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.102 8.938 -4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.275 8.992 -6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.950 8.177 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.086 8.343 -6.946 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.820 12.975 -3.923 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.549 13.507 -2.599 1.00 0.00 C ATOM 1176 C GLU A 77 -11.415 12.801 -1.554 1.00 0.00 C ATOM 1177 O GLU A 77 -11.040 12.716 -0.385 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.770 15.021 -2.560 1.00 0.00 C ATOM 1179 CG GLU A 77 -9.548 15.739 -1.983 1.00 0.00 C ATOM 1180 CD GLU A 77 -9.956 17.034 -1.276 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -10.396 17.958 -1.994 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -9.819 17.069 -0.035 1.00 0.00 O ATOM 0 H GLU A 77 -10.928 13.680 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.502 13.319 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.971 15.389 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.649 15.248 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.035 15.083 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.842 15.964 -2.783 1.00 0.00 H new ATOM 1189 N SER A 78 -12.557 12.311 -2.013 1.00 0.00 N ATOM 1190 CA SER A 78 -13.480 11.614 -1.132 1.00 0.00 C ATOM 1191 C SER A 78 -12.778 10.424 -0.476 1.00 0.00 C ATOM 1192 O SER A 78 -12.728 10.327 0.750 1.00 0.00 O ATOM 1193 CB SER A 78 -14.721 11.144 -1.895 1.00 0.00 C ATOM 1194 OG SER A 78 -15.886 11.151 -1.075 1.00 0.00 O ATOM 0 H SER A 78 -12.865 12.382 -2.983 1.00 0.00 H new ATOM 0 HA SER A 78 -13.805 12.309 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.882 11.789 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.552 10.137 -2.277 1.00 0.00 H new ATOM 0 HG SER A 78 -16.656 10.847 -1.599 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.253 9.548 -1.319 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.556 8.368 -0.836 1.00 0.00 C ATOM 1202 C GLU A 79 -10.371 8.775 0.042 1.00 0.00 C ATOM 1203 O GLU A 79 -10.271 8.352 1.193 1.00 0.00 O ATOM 1204 CB GLU A 79 -11.099 7.485 -1.999 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.271 6.686 -2.574 1.00 0.00 C ATOM 1206 CD GLU A 79 -11.814 5.304 -3.045 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -10.997 5.269 -3.991 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -12.291 4.315 -2.449 1.00 0.00 O ATOM 0 H GLU A 79 -12.296 9.632 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.249 7.783 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.659 8.105 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.321 6.802 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.048 6.578 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.713 7.231 -3.408 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.500 9.590 -0.536 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.325 10.058 0.180 1.00 0.00 C ATOM 1217 C LEU A 80 -8.740 10.546 1.570 1.00 0.00 C ATOM 1218 O LEU A 80 -8.268 10.026 2.580 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.580 11.110 -0.644 1.00 0.00 C ATOM 1220 CG LEU A 80 -7.242 10.719 -2.084 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.475 11.837 -2.790 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.487 9.389 -2.129 1.00 0.00 C ATOM 0 H LEU A 80 -9.584 9.938 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.618 9.241 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.183 12.018 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.652 11.356 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.176 10.577 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.247 11.533 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.084 12.741 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.546 12.035 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.259 9.135 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.559 9.478 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.104 8.605 -1.690 1.00 0.00 H new ATOM 1234 N SER A 81 -9.617 11.538 1.576 1.00 0.00 N ATOM 1235 CA SER A 81 -10.101 12.102 2.824 1.00 0.00 C ATOM 1236 C SER A 81 -10.469 10.980 3.798 1.00 0.00 C ATOM 1237 O SER A 81 -10.008 10.967 4.938 1.00 0.00 O ATOM 1238 CB SER A 81 -11.306 13.014 2.587 1.00 0.00 C ATOM 1239 OG SER A 81 -11.494 13.940 3.654 1.00 0.00 O ATOM 0 H SER A 81 -10.005 11.966 0.736 1.00 0.00 H new ATOM 0 HA SER A 81 -9.303 12.705 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.169 13.560 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.203 12.406 2.472 1.00 0.00 H new ATOM 0 HG SER A 81 -12.272 14.505 3.464 1.00 0.00 H new ATOM 1245 N THR A 82 -11.294 10.066 3.311 1.00 0.00 N ATOM 1246 CA THR A 82 -11.730 8.942 4.124 1.00 0.00 C ATOM 1247 C THR A 82 -10.603 7.916 4.261 1.00 0.00 C ATOM 1248 O THR A 82 -9.838 7.953 5.223 1.00 0.00 O ATOM 1249 CB THR A 82 -13.000 8.368 3.495 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.578 7.905 2.215 1.00 0.00 O ATOM 1251 CG2 THR A 82 -14.035 9.448 3.175 1.00 0.00 C ATOM 0 H THR A 82 -11.673 10.080 2.364 1.00 0.00 H new ATOM 0 HA THR A 82 -11.967 9.257 5.140 1.00 0.00 H new ATOM 0 HB THR A 82 -13.437 7.633 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.771 8.389 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.917 8.987 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.319 9.963 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.608 10.165 2.474 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.537 7.022 3.284 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.517 5.987 3.284 1.00 0.00 C ATOM 1261 C LYS A 83 -8.188 6.588 3.749 1.00 0.00 C ATOM 1262 O LYS A 83 -7.638 7.471 3.091 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.441 5.310 1.915 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.219 3.993 1.910 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.724 4.245 2.029 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.496 3.464 0.964 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.589 2.683 1.586 1.00 0.00 N ATOM 0 H LYS A 83 -11.173 6.994 2.487 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.775 5.197 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.844 5.977 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.399 5.122 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.010 3.446 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.885 3.366 2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.068 3.952 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.928 5.311 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.907 4.153 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.819 2.795 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.103 2.159 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.189 2.013 2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.243 3.328 2.073 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.697 6.071 4.906 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.443 6.546 5.466 1.00 0.00 C ATOM 1283 C PRO A 84 -5.250 6.002 4.677 1.00 0.00 C ATOM 1284 O PRO A 84 -4.361 6.759 4.290 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.459 6.085 6.914 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.497 4.977 6.987 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.321 5.024 5.711 1.00 0.00 C ATOM 0 HA PRO A 84 -6.340 7.630 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.478 5.722 7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.717 6.906 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.012 4.006 7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.137 5.110 7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.306 4.065 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.365 5.256 5.922 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.269 4.695 4.464 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.200 4.041 3.729 1.00 0.00 C ATOM 1297 C GLY A 85 -3.917 4.767 2.412 1.00 0.00 C ATOM 1298 O GLY A 85 -2.763 5.048 2.090 1.00 0.00 O ATOM 0 H GLY A 85 -6.008 4.071 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.296 4.019 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.474 3.006 3.526 1.00 0.00 H new ATOM 1302 N LEU A 86 -4.989 5.050 1.686 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.869 5.738 0.411 1.00 0.00 C ATOM 1304 C LEU A 86 -4.183 7.088 0.628 1.00 0.00 C ATOM 1305 O LEU A 86 -3.073 7.309 0.145 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.235 5.844 -0.270 1.00 0.00 C ATOM 1307 CG LEU A 86 -6.921 4.520 -0.608 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.384 4.742 -0.995 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.150 3.764 -1.692 1.00 0.00 C ATOM 0 H LEU A 86 -5.944 4.816 1.956 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.241 5.168 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.898 6.419 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.116 6.414 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.916 3.896 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.848 3.784 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.914 5.207 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.435 5.394 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.659 2.826 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.101 4.372 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.140 3.554 -1.341 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.871 7.956 1.355 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.342 9.279 1.642 1.00 0.00 C ATOM 1323 C GLN A 87 -2.824 9.215 1.822 1.00 0.00 C ATOM 1324 O GLN A 87 -2.075 9.764 1.016 1.00 0.00 O ATOM 1325 CB GLN A 87 -5.016 9.884 2.874 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.634 11.356 3.041 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.879 12.243 3.102 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.646 12.217 4.050 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -6.037 13.026 2.038 1.00 0.00 N ATOM 0 H GLN A 87 -5.791 7.769 1.754 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.561 9.929 0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.098 9.794 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.724 9.326 3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.048 11.482 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.002 11.668 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.357 12.998 1.279 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.839 13.654 1.982 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.415 8.540 2.886 1.00 0.00 N ATOM 1339 CA LYS A 88 -0.999 8.398 3.183 1.00 0.00 C ATOM 1340 C LYS A 88 -0.248 8.035 1.901 1.00 0.00 C ATOM 1341 O LYS A 88 0.576 8.812 1.420 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.789 7.398 4.323 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.838 8.098 5.682 1.00 0.00 C ATOM 1344 CD LYS A 88 -1.805 7.387 6.631 1.00 0.00 C ATOM 1345 CE LYS A 88 -2.544 8.391 7.516 1.00 0.00 C ATOM 1346 NZ LYS A 88 -3.274 7.691 8.598 1.00 0.00 N ATOM 0 H LYS A 88 -3.039 8.085 3.553 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.587 9.343 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.557 6.625 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.172 6.899 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.159 8.118 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.149 9.134 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.525 6.807 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.255 6.683 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.834 9.097 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.243 8.970 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.770 8.388 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.966 7.035 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.600 7.158 9.183 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.556 6.856 1.385 1.00 0.00 N ATOM 1361 CA ALA A 89 0.080 6.381 0.168 1.00 0.00 C ATOM 1362 C ALA A 89 0.131 7.519 -0.853 1.00 0.00 C ATOM 1363 O ALA A 89 1.147 7.716 -1.518 1.00 0.00 O ATOM 1364 CB ALA A 89 -0.675 5.159 -0.360 1.00 0.00 C ATOM 0 H ALA A 89 -1.239 6.214 1.788 1.00 0.00 H new ATOM 0 HA ALA A 89 1.105 6.070 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.198 4.803 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.658 4.369 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.708 5.434 -0.574 1.00 0.00 H new ATOM 1370 N SER A 90 -0.976 8.240 -0.943 1.00 0.00 N ATOM 1371 CA SER A 90 -1.070 9.355 -1.872 1.00 0.00 C ATOM 1372 C SER A 90 -0.035 10.423 -1.513 1.00 0.00 C ATOM 1373 O SER A 90 0.697 10.898 -2.379 1.00 0.00 O ATOM 1374 CB SER A 90 -2.477 9.956 -1.870 1.00 0.00 C ATOM 1375 OG SER A 90 -3.464 9.005 -1.480 1.00 0.00 O ATOM 0 H SER A 90 -1.816 8.075 -0.388 1.00 0.00 H new ATOM 0 HA SER A 90 -0.865 8.983 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.506 10.808 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.711 10.334 -2.865 1.00 0.00 H new ATOM 0 HG SER A 90 -3.027 8.231 -1.067 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.009 10.770 -0.235 1.00 0.00 N ATOM 1382 CA ILE A 91 0.923 11.773 0.250 1.00 0.00 C ATOM 1383 C ILE A 91 2.328 11.447 -0.261 1.00 0.00 C ATOM 1384 O ILE A 91 3.056 12.338 -0.695 1.00 0.00 O ATOM 1385 CB ILE A 91 0.836 11.895 1.773 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.511 12.485 2.200 1.00 0.00 C ATOM 1387 CG2 ILE A 91 2.014 12.698 2.327 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.484 12.902 3.671 1.00 0.00 C ATOM 0 H ILE A 91 -0.619 10.374 0.480 1.00 0.00 H new ATOM 0 HA ILE A 91 0.661 12.756 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 91 0.899 10.894 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.748 13.348 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.301 11.751 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.928 12.770 3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.948 12.199 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.007 13.699 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.452 13.318 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.271 12.032 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.291 13.654 3.822 1.00 0.00 H new ATOM 1400 N PHE A 92 2.666 10.169 -0.192 1.00 0.00 N ATOM 1401 CA PHE A 92 3.970 9.713 -0.643 1.00 0.00 C ATOM 1402 C PHE A 92 4.076 9.778 -2.167 1.00 0.00 C ATOM 1403 O PHE A 92 5.171 9.688 -2.722 1.00 0.00 O ATOM 1404 CB PHE A 92 4.116 8.259 -0.194 1.00 0.00 C ATOM 1405 CG PHE A 92 5.380 7.571 -0.714 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.585 7.841 -0.144 1.00 0.00 C ATOM 1407 CD2 PHE A 92 5.299 6.688 -1.745 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.758 7.202 -0.627 1.00 0.00 C ATOM 1409 CE2 PHE A 92 6.471 6.050 -2.228 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.676 6.321 -1.659 1.00 0.00 C ATOM 0 H PHE A 92 2.059 9.433 0.170 1.00 0.00 H new ATOM 0 HA PHE A 92 4.751 10.347 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.118 8.224 0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.245 7.697 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.650 8.541 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.342 6.472 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.715 7.416 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.406 5.349 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.568 5.836 -2.027 1.00 0.00 H new ATOM 1420 N LEU A 93 2.924 9.930 -2.804 1.00 0.00 N ATOM 1421 CA LEU A 93 2.874 10.007 -4.254 1.00 0.00 C ATOM 1422 C LEU A 93 2.974 11.471 -4.687 1.00 0.00 C ATOM 1423 O LEU A 93 3.146 11.762 -5.870 1.00 0.00 O ATOM 1424 CB LEU A 93 1.629 9.292 -4.785 1.00 0.00 C ATOM 1425 CG LEU A 93 1.639 7.765 -4.684 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.694 7.142 -5.713 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.062 7.216 -4.805 1.00 0.00 C ATOM 0 H LEU A 93 2.018 10.002 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 93 3.725 9.486 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.760 9.667 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.495 9.566 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 93 1.270 7.485 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.720 6.056 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.321 7.497 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.009 7.428 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.040 6.129 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.483 7.505 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.678 7.623 -4.003 1.00 0.00 H new ATOM 1439 N LYS A 94 2.862 12.354 -3.705 1.00 0.00 N ATOM 1440 CA LYS A 94 2.938 13.780 -3.970 1.00 0.00 C ATOM 1441 C LYS A 94 4.184 14.355 -3.294 1.00 0.00 C ATOM 1442 O LYS A 94 4.887 15.178 -3.877 1.00 0.00 O ATOM 1443 CB LYS A 94 1.638 14.473 -3.553 1.00 0.00 C ATOM 1444 CG LYS A 94 0.781 13.550 -2.684 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.317 14.339 -1.967 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.218 15.062 -2.971 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.185 15.932 -2.266 1.00 0.00 N ATOM 0 H LYS A 94 2.719 12.109 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 94 3.042 13.963 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.868 15.386 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.077 14.767 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.331 12.774 -3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.411 13.047 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.916 13.663 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.134 15.064 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.610 15.660 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.752 14.333 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.789 16.415 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.777 15.354 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.670 16.639 -1.704 1.00 0.00 H new ATOM 1461 N THR A 95 4.421 13.897 -2.073 1.00 0.00 N ATOM 1462 CA THR A 95 5.570 14.355 -1.312 1.00 0.00 C ATOM 1463 C THR A 95 6.807 13.526 -1.663 1.00 0.00 C ATOM 1464 O THR A 95 7.910 14.062 -1.767 1.00 0.00 O ATOM 1465 CB THR A 95 5.205 14.301 0.173 1.00 0.00 C ATOM 1466 OG1 THR A 95 5.069 12.910 0.447 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.816 14.875 0.456 1.00 0.00 C ATOM 0 H THR A 95 3.836 13.213 -1.592 1.00 0.00 H new ATOM 0 HA THR A 95 5.825 15.385 -1.562 1.00 0.00 H new ATOM 0 HB THR A 95 5.949 14.851 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.422 12.516 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.607 14.812 1.524 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.782 15.918 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.068 14.305 -0.094 1.00 0.00 H new ATOM 1475 N ARG A 96 6.583 12.232 -1.839 1.00 0.00 N ATOM 1476 CA ARG A 96 7.666 11.324 -2.176 1.00 0.00 C ATOM 1477 C ARG A 96 8.668 11.240 -1.024 1.00 0.00 C ATOM 1478 O ARG A 96 9.870 11.114 -1.249 1.00 0.00 O ATOM 1479 CB ARG A 96 8.393 11.781 -3.443 1.00 0.00 C ATOM 1480 CG ARG A 96 7.398 12.122 -4.553 1.00 0.00 C ATOM 1481 CD ARG A 96 6.754 10.856 -5.121 1.00 0.00 C ATOM 1482 NE ARG A 96 7.621 10.274 -6.170 1.00 0.00 N ATOM 1483 CZ ARG A 96 8.568 9.356 -5.939 1.00 0.00 C ATOM 1484 NH1 ARG A 96 8.779 8.908 -4.693 1.00 0.00 N ATOM 1485 NH2 ARG A 96 9.306 8.884 -6.954 1.00 0.00 N ATOM 0 H ARG A 96 5.667 11.791 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 96 7.230 10.341 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.007 12.653 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.067 10.995 -3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.625 12.784 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.908 12.663 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.596 10.130 -4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.774 11.091 -5.537 1.00 0.00 H new ATOM 0 HE ARG A 96 7.489 10.592 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.218 9.266 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.501 8.209 -4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.146 9.224 -7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.027 8.185 -6.778 1.00 0.00 H new ATOM 1499 N VAL A 97 8.136 11.314 0.188 1.00 0.00 N ATOM 1500 CA VAL A 97 8.969 11.249 1.376 1.00 0.00 C ATOM 1501 C VAL A 97 8.155 10.665 2.533 1.00 0.00 C ATOM 1502 O VAL A 97 7.317 11.352 3.116 1.00 0.00 O ATOM 1503 CB VAL A 97 9.544 12.631 1.689 1.00 0.00 C ATOM 1504 CG1 VAL A 97 8.428 13.653 1.908 1.00 0.00 C ATOM 1505 CG2 VAL A 97 10.481 12.575 2.898 1.00 0.00 C ATOM 0 H VAL A 97 7.138 11.418 0.372 1.00 0.00 H new ATOM 0 HA VAL A 97 9.820 10.588 1.210 1.00 0.00 H new ATOM 0 HB VAL A 97 10.128 12.953 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.865 14.627 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.818 13.725 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.804 13.337 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.876 13.571 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.930 12.221 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.305 11.893 2.688 1.00 0.00 H new ATOM 1515 N VAL A 98 8.429 9.404 2.830 1.00 0.00 N ATOM 1516 CA VAL A 98 7.732 8.719 3.906 1.00 0.00 C ATOM 1517 C VAL A 98 8.020 9.433 5.228 1.00 0.00 C ATOM 1518 O VAL A 98 8.967 10.211 5.325 1.00 0.00 O ATOM 1519 CB VAL A 98 8.124 7.241 3.927 1.00 0.00 C ATOM 1520 CG1 VAL A 98 7.247 6.428 2.973 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.607 7.062 3.595 1.00 0.00 C ATOM 0 H VAL A 98 9.125 8.838 2.344 1.00 0.00 H new ATOM 0 HA VAL A 98 6.654 8.752 3.746 1.00 0.00 H new ATOM 0 HB VAL A 98 7.959 6.865 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.546 5.380 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.203 6.517 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.366 6.807 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.859 6.002 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.808 7.463 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.211 7.594 4.330 1.00 0.00 H new ATOM 1531 N PRO A 99 7.162 9.134 6.242 1.00 0.00 N ATOM 1532 CA PRO A 99 7.316 9.738 7.554 1.00 0.00 C ATOM 1533 C PRO A 99 8.486 9.110 8.314 1.00 0.00 C ATOM 1534 O PRO A 99 8.735 7.911 8.196 1.00 0.00 O ATOM 1535 CB PRO A 99 5.977 9.525 8.243 1.00 0.00 C ATOM 1536 CG PRO A 99 5.286 8.410 7.476 1.00 0.00 C ATOM 1537 CD PRO A 99 6.030 8.216 6.164 1.00 0.00 C ATOM 0 HA PRO A 99 7.560 10.799 7.503 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.115 9.252 9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.381 10.437 8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.290 7.488 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.243 8.665 7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.363 7.185 6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.393 8.444 5.310 1.00 0.00 H new ATOM 1545 N ASP A 100 9.173 9.948 9.075 1.00 0.00 N ATOM 1546 CA ASP A 100 10.311 9.490 9.854 1.00 0.00 C ATOM 1547 C ASP A 100 9.935 8.205 10.593 1.00 0.00 C ATOM 1548 O ASP A 100 10.803 7.401 10.929 1.00 0.00 O ATOM 1549 CB ASP A 100 10.719 10.533 10.897 1.00 0.00 C ATOM 1550 CG ASP A 100 12.219 10.835 10.957 1.00 0.00 C ATOM 1551 OD1 ASP A 100 12.838 10.853 9.872 1.00 0.00 O ATOM 1552 OD2 ASP A 100 12.711 11.040 12.087 1.00 0.00 O ATOM 0 H ASP A 100 8.964 10.942 9.169 1.00 0.00 H new ATOM 0 HA ASP A 100 11.142 9.320 9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.185 11.460 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.393 10.190 11.879 1.00 0.00 H new ATOM 1557 N ASN A 101 8.639 8.051 10.824 1.00 0.00 N ATOM 1558 CA ASN A 101 8.137 6.876 11.517 1.00 0.00 C ATOM 1559 C ASN A 101 8.611 5.618 10.787 1.00 0.00 C ATOM 1560 O ASN A 101 8.857 4.589 11.413 1.00 0.00 O ATOM 1561 CB ASN A 101 6.607 6.863 11.539 1.00 0.00 C ATOM 1562 CG ASN A 101 6.069 7.661 12.728 1.00 0.00 C ATOM 1563 OD1 ASN A 101 6.427 7.437 13.873 1.00 0.00 O ATOM 1564 ND2 ASN A 101 5.190 8.602 12.394 1.00 0.00 N ATOM 0 H ASN A 101 7.922 8.720 10.544 1.00 0.00 H new ATOM 0 HA ASN A 101 8.512 6.900 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.223 7.284 10.610 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.249 5.835 11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.772 9.189 13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.934 8.737 11.416 1.00 0.00 H new ATOM 1571 N TRP A 102 8.723 5.742 9.472 1.00 0.00 N ATOM 1572 CA TRP A 102 9.163 4.627 8.651 1.00 0.00 C ATOM 1573 C TRP A 102 10.693 4.628 8.631 1.00 0.00 C ATOM 1574 O TRP A 102 11.325 3.679 9.092 1.00 0.00 O ATOM 1575 CB TRP A 102 8.548 4.700 7.252 1.00 0.00 C ATOM 1576 CG TRP A 102 7.025 4.549 7.234 1.00 0.00 C ATOM 1577 CD1 TRP A 102 6.159 4.801 8.225 1.00 0.00 C ATOM 1578 CD2 TRP A 102 6.219 4.099 6.125 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.859 4.547 7.837 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.897 4.106 6.520 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.595 3.699 4.830 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.843 3.724 5.681 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.530 3.320 4.003 1.00 0.00 C ATOM 1584 CH2 TRP A 102 4.194 3.323 4.386 1.00 0.00 C ATOM 0 H TRP A 102 8.517 6.597 8.956 1.00 0.00 H new ATOM 0 HA TRP A 102 8.821 3.681 9.071 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.814 5.655 6.799 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.988 3.919 6.632 1.00 0.00 H new ATOM 0 HD1 TRP A 102 6.443 5.158 9.204 1.00 0.00 H new ATOM 0 HE1 TRP A 102 4.024 4.662 8.411 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.623 3.685 4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.816 3.738 6.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.763 3.003 2.997 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.429 3.017 3.687 1.00 0.00 H new