USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 709 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 49 GLN : amide:sc= 1.66! C(o=2.9!,f=-9!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -133:sc= 1.29 (180deg=0.472) USER MOD Single : A 11 THR OG1 : rot 16:sc= 0.659 USER MOD Single : A 17 GLN : amide:sc=-0.00371 X(o=-0.0037,f=-0.011) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000507) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.683 X(o=-0.68,f=-0.32) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 91:sc= 1.04 USER MOD Single : A 46 SER OG : rot 180:sc= 0.287 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00239 K(o=-0.0024,f=-0.62) USER MOD Single : A 56 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.37) USER MOD Single : A 67 GLN : amide:sc= -0.639 K(o=-0.64,f=-0.0004) USER MOD Single : A 74 THR OG1 : rot 150:sc= -0.724 USER MOD Single : A 77 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-7.1!) USER MOD Single : A 84 THR OG1 : rot 35:sc= 0.72 USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 1.04 (180deg=0.683) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 130:sc= -0.241 USER MOD Single : A 98 TYR OH : rot 90:sc= -0.351 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.066 -7.854 1.998 1.00 0.00 N ATOM 145 CA THR A 11 11.907 -9.302 1.965 1.00 0.00 C ATOM 146 C THR A 11 10.525 -9.653 2.514 1.00 0.00 C ATOM 147 O THR A 11 9.758 -8.790 2.927 1.00 0.00 O ATOM 148 CB THR A 11 12.994 -9.980 2.829 1.00 0.00 C ATOM 149 OG1 THR A 11 14.091 -9.123 3.087 1.00 0.00 O ATOM 150 CG2 THR A 11 13.513 -11.271 2.188 1.00 0.00 C ATOM 0 HA THR A 11 12.007 -9.657 0.939 1.00 0.00 H new ATOM 0 HB THR A 11 12.507 -10.219 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.836 -8.197 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.275 -11.714 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.689 -11.973 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.945 -11.045 1.213 1.00 0.00 H new ATOM 158 N ALA A 12 10.193 -10.934 2.521 1.00 0.00 N ATOM 159 CA ALA A 12 8.944 -11.441 3.069 1.00 0.00 C ATOM 160 C ALA A 12 8.901 -11.276 4.575 1.00 0.00 C ATOM 161 O ALA A 12 8.039 -10.557 5.069 1.00 0.00 O ATOM 162 CB ALA A 12 8.747 -12.887 2.607 1.00 0.00 C ATOM 0 H ALA A 12 10.794 -11.664 2.139 1.00 0.00 H new ATOM 0 HA ALA A 12 8.104 -10.857 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.813 -13.275 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.710 -12.919 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.578 -13.498 2.960 1.00 0.00 H new ATOM 168 N ALA A 13 9.856 -11.855 5.295 1.00 0.00 N ATOM 169 CA ALA A 13 9.909 -11.695 6.743 1.00 0.00 C ATOM 170 C ALA A 13 10.207 -10.245 7.124 1.00 0.00 C ATOM 171 O ALA A 13 9.864 -9.820 8.227 1.00 0.00 O ATOM 172 CB ALA A 13 10.961 -12.626 7.349 1.00 0.00 C ATOM 0 H ALA A 13 10.598 -12.435 4.903 1.00 0.00 H new ATOM 0 HA ALA A 13 8.931 -11.961 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.986 -12.492 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.708 -13.661 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.940 -12.390 6.932 1.00 0.00 H new ATOM 178 N GLU A 14 10.859 -9.480 6.243 1.00 0.00 N ATOM 179 CA GLU A 14 11.169 -8.084 6.487 1.00 0.00 C ATOM 180 C GLU A 14 9.893 -7.275 6.358 1.00 0.00 C ATOM 181 O GLU A 14 9.676 -6.369 7.146 1.00 0.00 O ATOM 182 CB GLU A 14 12.203 -7.629 5.450 1.00 0.00 C ATOM 183 CG GLU A 14 12.674 -6.172 5.547 1.00 0.00 C ATOM 184 CD GLU A 14 13.630 -5.881 6.707 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.086 -6.817 7.409 1.00 0.00 O ATOM 186 OE2 GLU A 14 13.962 -4.692 6.897 1.00 0.00 O ATOM 0 H GLU A 14 11.184 -9.822 5.339 1.00 0.00 H new ATOM 0 HA GLU A 14 11.579 -7.942 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.076 -8.276 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.782 -7.786 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.166 -5.901 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.800 -5.528 5.645 1.00 0.00 H new ATOM 193 N ILE A 15 9.028 -7.593 5.396 1.00 0.00 N ATOM 194 CA ILE A 15 7.748 -6.940 5.273 1.00 0.00 C ATOM 195 C ILE A 15 6.852 -7.370 6.418 1.00 0.00 C ATOM 196 O ILE A 15 6.301 -6.502 7.091 1.00 0.00 O ATOM 197 CB ILE A 15 7.171 -7.214 3.876 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.868 -6.244 2.909 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.660 -7.021 3.841 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.446 -6.443 1.441 1.00 0.00 C ATOM 0 H ILE A 15 9.203 -8.307 4.689 1.00 0.00 H new ATOM 0 HA ILE A 15 7.842 -5.857 5.355 1.00 0.00 H new ATOM 0 HB ILE A 15 7.351 -8.251 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.645 -5.220 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.947 -6.373 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.290 -7.224 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.189 -7.706 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.418 -5.994 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.974 -5.728 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.693 -7.457 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.372 -6.286 1.347 1.00 0.00 H new ATOM 212 N GLU A 16 6.682 -8.668 6.658 1.00 0.00 N ATOM 213 CA GLU A 16 5.744 -9.049 7.702 1.00 0.00 C ATOM 214 C GLU A 16 6.144 -8.463 9.055 1.00 0.00 C ATOM 215 O GLU A 16 5.292 -7.848 9.695 1.00 0.00 O ATOM 216 CB GLU A 16 5.566 -10.549 7.830 1.00 0.00 C ATOM 217 CG GLU A 16 4.875 -11.175 6.601 1.00 0.00 C ATOM 218 CD GLU A 16 3.865 -12.278 6.945 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.829 -12.761 8.100 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.060 -12.656 6.065 1.00 0.00 O ATOM 0 H GLU A 16 7.152 -9.433 6.174 1.00 0.00 H new ATOM 0 HA GLU A 16 4.785 -8.631 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.541 -11.016 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.978 -10.766 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.363 -10.389 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.637 -11.588 5.940 1.00 0.00 H new ATOM 227 N GLN A 17 7.410 -8.585 9.475 1.00 0.00 N ATOM 228 CA GLN A 17 7.845 -8.057 10.763 1.00 0.00 C ATOM 229 C GLN A 17 7.897 -6.535 10.688 1.00 0.00 C ATOM 230 O GLN A 17 7.561 -5.847 11.654 1.00 0.00 O ATOM 231 CB GLN A 17 9.231 -8.619 11.077 1.00 0.00 C ATOM 232 CG GLN A 17 9.775 -8.267 12.467 1.00 0.00 C ATOM 233 CD GLN A 17 9.219 -9.190 13.541 1.00 0.00 C ATOM 234 OE1 GLN A 17 9.517 -10.386 13.545 1.00 0.00 O ATOM 235 NE2 GLN A 17 8.429 -8.682 14.470 1.00 0.00 N ATOM 0 H GLN A 17 8.146 -9.045 8.939 1.00 0.00 H new ATOM 0 HA GLN A 17 7.149 -8.348 11.550 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.196 -9.704 10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.932 -8.255 10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.863 -8.333 12.459 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.520 -7.235 12.707 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.193 -7.690 14.452 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.056 -9.282 15.206 1.00 0.00 H new ATOM 244 N GLY A 18 8.291 -6.011 9.526 1.00 0.00 N ATOM 245 CA GLY A 18 8.500 -4.606 9.269 1.00 0.00 C ATOM 246 C GLY A 18 7.210 -3.861 9.508 1.00 0.00 C ATOM 247 O GLY A 18 7.205 -2.767 10.077 1.00 0.00 O ATOM 0 H GLY A 18 8.479 -6.591 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.284 -4.218 9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.835 -4.458 8.242 1.00 0.00 H new ATOM 251 N PHE A 19 6.103 -4.486 9.120 1.00 0.00 N ATOM 252 CA PHE A 19 4.811 -3.838 9.059 1.00 0.00 C ATOM 253 C PHE A 19 3.830 -4.506 10.030 1.00 0.00 C ATOM 254 O PHE A 19 2.639 -4.204 10.006 1.00 0.00 O ATOM 255 CB PHE A 19 4.417 -3.762 7.578 1.00 0.00 C ATOM 256 CG PHE A 19 5.382 -2.881 6.775 1.00 0.00 C ATOM 257 CD1 PHE A 19 6.656 -3.338 6.375 1.00 0.00 C ATOM 258 CD2 PHE A 19 5.049 -1.544 6.513 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.583 -2.481 5.762 1.00 0.00 C ATOM 260 CE2 PHE A 19 5.962 -0.685 5.873 1.00 0.00 C ATOM 261 CZ PHE A 19 7.235 -1.148 5.506 1.00 0.00 C ATOM 0 H PHE A 19 6.084 -5.466 8.838 1.00 0.00 H new ATOM 0 HA PHE A 19 4.815 -2.808 9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.403 -4.766 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.405 -3.365 7.491 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.924 -4.371 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.080 -1.169 6.806 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.561 -2.848 5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.681 0.337 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.940 -0.483 5.030 1.00 0.00 H new ATOM 271 N LYS A 20 4.333 -5.346 10.951 1.00 0.00 N ATOM 272 CA LYS A 20 3.579 -6.032 12.011 1.00 0.00 C ATOM 273 C LYS A 20 2.806 -5.088 12.933 1.00 0.00 C ATOM 274 O LYS A 20 1.914 -5.519 13.661 1.00 0.00 O ATOM 275 CB LYS A 20 4.527 -6.986 12.785 1.00 0.00 C ATOM 276 CG LYS A 20 5.298 -6.352 13.957 1.00 0.00 C ATOM 277 CD LYS A 20 4.637 -6.563 15.331 1.00 0.00 C ATOM 278 CE LYS A 20 4.972 -5.417 16.295 1.00 0.00 C ATOM 279 NZ LYS A 20 6.414 -5.316 16.592 1.00 0.00 N ATOM 0 H LYS A 20 5.327 -5.575 10.976 1.00 0.00 H new ATOM 0 HA LYS A 20 2.799 -6.623 11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.940 -7.820 13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.248 -7.402 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.305 -6.768 13.983 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.399 -5.282 13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.556 -6.634 15.209 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.973 -7.509 15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.628 -4.476 15.865 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.424 -5.561 17.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.577 -4.536 17.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.745 -6.208 17.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.938 -5.133 15.712 1.00 0.00 H new ATOM 293 N ASP A 21 3.148 -3.809 12.883 1.00 0.00 N ATOM 294 CA ASP A 21 2.636 -2.721 13.710 1.00 0.00 C ATOM 295 C ASP A 21 1.249 -2.256 13.238 1.00 0.00 C ATOM 296 O ASP A 21 0.545 -1.550 13.962 1.00 0.00 O ATOM 297 CB ASP A 21 3.653 -1.575 13.630 1.00 0.00 C ATOM 298 CG ASP A 21 3.249 -0.374 14.477 1.00 0.00 C ATOM 299 OD1 ASP A 21 3.125 -0.531 15.711 1.00 0.00 O ATOM 300 OD2 ASP A 21 3.080 0.735 13.914 1.00 0.00 O ATOM 0 H ASP A 21 3.843 -3.478 12.214 1.00 0.00 H new ATOM 0 HA ASP A 21 2.512 -3.059 14.739 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.628 -1.935 13.959 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.762 -1.263 12.591 1.00 0.00 H new ATOM 305 N VAL A 22 0.805 -2.702 12.060 1.00 0.00 N ATOM 306 CA VAL A 22 -0.570 -2.592 11.573 1.00 0.00 C ATOM 307 C VAL A 22 -0.955 -3.980 11.002 1.00 0.00 C ATOM 308 O VAL A 22 -0.097 -4.868 10.961 1.00 0.00 O ATOM 309 CB VAL A 22 -0.609 -1.388 10.604 1.00 0.00 C ATOM 310 CG1 VAL A 22 -0.401 -1.755 9.135 1.00 0.00 C ATOM 311 CG2 VAL A 22 -1.761 -0.397 10.813 1.00 0.00 C ATOM 0 H VAL A 22 1.420 -3.168 11.393 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.327 -2.374 12.326 1.00 0.00 H new ATOM 0 HB VAL A 22 0.277 -0.828 10.902 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.443 -0.853 8.525 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.572 -2.230 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.184 -2.444 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.688 0.405 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.713 -0.915 10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.702 0.023 11.817 1.00 0.00 H new ATOM 321 N PRO A 23 -2.213 -4.242 10.605 1.00 0.00 N ATOM 322 CA PRO A 23 -2.639 -5.546 10.121 1.00 0.00 C ATOM 323 C PRO A 23 -2.155 -5.758 8.680 1.00 0.00 C ATOM 324 O PRO A 23 -1.421 -4.941 8.111 1.00 0.00 O ATOM 325 CB PRO A 23 -4.165 -5.524 10.257 1.00 0.00 C ATOM 326 CG PRO A 23 -4.527 -4.068 9.985 1.00 0.00 C ATOM 327 CD PRO A 23 -3.295 -3.292 10.457 1.00 0.00 C ATOM 0 HA PRO A 23 -2.219 -6.382 10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.641 -6.196 9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.484 -5.838 11.251 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.727 -3.896 8.927 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.422 -3.769 10.531 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.030 -2.518 9.736 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.497 -2.791 11.403 1.00 0.00 H new ATOM 335 N SER A 24 -2.574 -6.859 8.071 1.00 0.00 N ATOM 336 CA SER A 24 -2.293 -7.193 6.685 1.00 0.00 C ATOM 337 C SER A 24 -3.581 -7.703 6.020 1.00 0.00 C ATOM 338 O SER A 24 -4.599 -7.839 6.699 1.00 0.00 O ATOM 339 CB SER A 24 -1.149 -8.222 6.653 1.00 0.00 C ATOM 340 OG SER A 24 -1.241 -9.217 7.665 1.00 0.00 O ATOM 0 H SER A 24 -3.137 -7.566 8.545 1.00 0.00 H new ATOM 0 HA SER A 24 -1.967 -6.321 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.139 -8.709 5.678 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.199 -7.698 6.758 1.00 0.00 H new ATOM 0 HG SER A 24 -0.486 -9.836 7.585 1.00 0.00 H new ATOM 346 N PHE A 25 -3.575 -7.982 4.716 1.00 0.00 N ATOM 347 CA PHE A 25 -4.699 -8.580 4.010 1.00 0.00 C ATOM 348 C PHE A 25 -4.176 -9.626 3.039 1.00 0.00 C ATOM 349 O PHE A 25 -3.003 -9.577 2.663 1.00 0.00 O ATOM 350 CB PHE A 25 -5.408 -7.443 3.287 1.00 0.00 C ATOM 351 CG PHE A 25 -6.340 -7.815 2.152 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.643 -8.279 2.403 1.00 0.00 C ATOM 353 CD2 PHE A 25 -5.889 -7.679 0.825 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.484 -8.600 1.323 1.00 0.00 C ATOM 355 CE2 PHE A 25 -6.728 -8.002 -0.250 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.029 -8.463 0.001 1.00 0.00 C ATOM 0 H PHE A 25 -2.773 -7.794 4.114 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.395 -9.082 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.982 -6.881 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.648 -6.769 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.995 -8.388 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.888 -7.323 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.487 -8.954 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.375 -7.897 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.681 -8.713 -0.823 1.00 0.00 H new ATOM 366 N VAL A 26 -5.048 -10.528 2.595 1.00 0.00 N ATOM 367 CA VAL A 26 -4.750 -11.549 1.613 1.00 0.00 C ATOM 368 C VAL A 26 -5.935 -11.652 0.667 1.00 0.00 C ATOM 369 O VAL A 26 -7.085 -11.620 1.116 1.00 0.00 O ATOM 370 CB VAL A 26 -4.432 -12.906 2.276 1.00 0.00 C ATOM 371 CG1 VAL A 26 -4.121 -13.989 1.230 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.198 -12.779 3.173 1.00 0.00 C ATOM 0 H VAL A 26 -6.013 -10.563 2.925 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.855 -11.272 1.056 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.313 -13.189 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.902 -14.930 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.982 -14.120 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.258 -13.686 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.983 -13.743 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.343 -12.466 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.387 -12.038 3.950 1.00 0.00 H new ATOM 382 N HIS A 27 -5.658 -11.813 -0.628 1.00 0.00 N ATOM 383 CA HIS A 27 -6.655 -12.267 -1.580 1.00 0.00 C ATOM 384 C HIS A 27 -6.231 -13.534 -2.318 1.00 0.00 C ATOM 385 O HIS A 27 -5.107 -14.018 -2.207 1.00 0.00 O ATOM 386 CB HIS A 27 -7.106 -11.121 -2.487 1.00 0.00 C ATOM 387 CG HIS A 27 -6.067 -10.250 -3.138 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.350 -9.053 -3.741 1.00 0.00 N ATOM 389 CD2 HIS A 27 -4.713 -10.430 -3.197 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.184 -8.510 -4.115 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.152 -9.304 -3.800 1.00 0.00 N ATOM 0 H HIS A 27 -4.741 -11.632 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.541 -12.574 -1.024 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.718 -11.551 -3.280 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.756 -10.473 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.172 -11.293 -2.839 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.088 -7.554 -4.608 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.162 -9.123 -3.966 1.00 0.00 H new ATOM 399 N GLU A 28 -7.172 -14.073 -3.073 1.00 0.00 N ATOM 400 CA GLU A 28 -7.126 -15.322 -3.843 1.00 0.00 C ATOM 401 C GLU A 28 -6.366 -15.132 -5.166 1.00 0.00 C ATOM 402 O GLU A 28 -6.714 -15.735 -6.183 1.00 0.00 O ATOM 403 CB GLU A 28 -8.569 -15.799 -4.101 1.00 0.00 C ATOM 404 CG GLU A 28 -9.301 -16.229 -2.823 1.00 0.00 C ATOM 405 CD GLU A 28 -10.809 -16.208 -3.028 1.00 0.00 C ATOM 406 OE1 GLU A 28 -11.362 -15.092 -3.170 1.00 0.00 O ATOM 407 OE2 GLU A 28 -11.463 -17.274 -3.018 1.00 0.00 O ATOM 0 H GLU A 28 -8.075 -13.611 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.588 -16.078 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.130 -14.997 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.549 -16.636 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.983 -17.231 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.032 -15.563 -2.003 1.00 0.00 H new ATOM 414 N GLY A 29 -5.352 -14.266 -5.181 1.00 0.00 N ATOM 415 CA GLY A 29 -4.565 -14.001 -6.373 1.00 0.00 C ATOM 416 C GLY A 29 -5.384 -13.306 -7.458 1.00 0.00 C ATOM 417 O GLY A 29 -6.506 -12.848 -7.221 1.00 0.00 O ATOM 0 H GLY A 29 -5.058 -13.731 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.709 -13.379 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.170 -14.939 -6.762 1.00 0.00 H new ATOM 421 N GLY A 30 -4.794 -13.198 -8.647 1.00 0.00 N ATOM 422 CA GLY A 30 -5.244 -12.311 -9.692 1.00 0.00 C ATOM 423 C GLY A 30 -4.761 -10.912 -9.355 1.00 0.00 C ATOM 424 O GLY A 30 -4.678 -10.535 -8.188 1.00 0.00 O ATOM 0 H GLY A 30 -3.971 -13.742 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.851 -12.628 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.331 -12.331 -9.768 1.00 0.00 H new ATOM 428 N ASP A 31 -4.426 -10.138 -10.379 1.00 0.00 N ATOM 429 CA ASP A 31 -4.204 -8.706 -10.229 1.00 0.00 C ATOM 430 C ASP A 31 -5.506 -7.993 -9.901 1.00 0.00 C ATOM 431 O ASP A 31 -6.594 -8.421 -10.308 1.00 0.00 O ATOM 432 CB ASP A 31 -3.511 -8.073 -11.432 1.00 0.00 C ATOM 433 CG ASP A 31 -4.361 -8.144 -12.693 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.600 -9.277 -13.165 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.791 -7.084 -13.196 1.00 0.00 O ATOM 0 H ASP A 31 -4.301 -10.482 -11.331 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.517 -8.583 -9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.282 -7.031 -11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.561 -8.578 -11.608 1.00 0.00 H new ATOM 440 N VAL A 32 -5.383 -6.914 -9.128 1.00 0.00 N ATOM 441 CA VAL A 32 -6.478 -6.274 -8.413 1.00 0.00 C ATOM 442 C VAL A 32 -6.042 -4.847 -8.175 1.00 0.00 C ATOM 443 O VAL A 32 -4.914 -4.651 -7.746 1.00 0.00 O ATOM 444 CB VAL A 32 -6.723 -6.973 -7.062 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.617 -6.220 -6.061 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.298 -8.387 -7.184 1.00 0.00 C ATOM 0 H VAL A 32 -4.487 -6.449 -8.980 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.405 -6.328 -8.984 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.706 -6.998 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.717 -6.808 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.166 -5.256 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.602 -6.061 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.441 -8.809 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.256 -8.347 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.607 -9.013 -7.748 1.00 0.00 H new ATOM 456 N PRO A 33 -6.891 -3.852 -8.428 1.00 0.00 N ATOM 457 CA PRO A 33 -6.489 -2.469 -8.368 1.00 0.00 C ATOM 458 C PRO A 33 -6.257 -2.032 -6.933 1.00 0.00 C ATOM 459 O PRO A 33 -6.918 -2.510 -6.000 1.00 0.00 O ATOM 460 CB PRO A 33 -7.615 -1.720 -9.081 1.00 0.00 C ATOM 461 CG PRO A 33 -8.845 -2.566 -8.758 1.00 0.00 C ATOM 462 CD PRO A 33 -8.285 -3.988 -8.786 1.00 0.00 C ATOM 0 HA PRO A 33 -5.534 -2.268 -8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.718 -0.700 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.440 -1.655 -10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.266 -2.315 -7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.637 -2.427 -9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.811 -4.633 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.396 -4.436 -9.773 1.00 0.00 H new ATOM 470 N LEU A 34 -5.369 -1.043 -6.764 1.00 0.00 N ATOM 471 CA LEU A 34 -5.130 -0.453 -5.456 1.00 0.00 C ATOM 472 C LEU A 34 -6.450 -0.012 -4.782 1.00 0.00 C ATOM 473 O LEU A 34 -6.598 -0.171 -3.568 1.00 0.00 O ATOM 474 CB LEU A 34 -3.876 0.450 -5.434 1.00 0.00 C ATOM 475 CG LEU A 34 -3.913 1.890 -5.957 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.512 2.519 -5.903 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.466 2.014 -7.374 1.00 0.00 C ATOM 0 H LEU A 34 -4.811 -0.642 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.798 -1.199 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.539 0.498 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.101 -0.071 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.597 2.426 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.557 3.541 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.156 2.526 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.828 1.936 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.462 3.061 -7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.845 1.436 -8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.487 1.633 -7.401 1.00 0.00 H new ATOM 489 N VAL A 35 -7.471 0.381 -5.564 1.00 0.00 N ATOM 490 CA VAL A 35 -8.793 0.819 -5.088 1.00 0.00 C ATOM 491 C VAL A 35 -9.728 -0.312 -4.673 1.00 0.00 C ATOM 492 O VAL A 35 -10.683 -0.063 -3.935 1.00 0.00 O ATOM 493 CB VAL A 35 -9.391 1.848 -6.080 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.801 1.234 -7.422 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.567 2.635 -5.491 1.00 0.00 C ATOM 0 H VAL A 35 -7.394 0.403 -6.581 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.654 1.334 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.573 2.543 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.211 2.011 -8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.929 0.789 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.555 0.465 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.942 3.339 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.363 1.945 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.234 3.182 -4.609 1.00 0.00 H new ATOM 505 N GLU A 36 -9.437 -1.556 -5.034 1.00 0.00 N ATOM 506 CA GLU A 36 -10.112 -2.697 -4.446 1.00 0.00 C ATOM 507 C GLU A 36 -9.324 -3.171 -3.240 1.00 0.00 C ATOM 508 O GLU A 36 -9.909 -3.327 -2.173 1.00 0.00 O ATOM 509 CB GLU A 36 -10.264 -3.823 -5.473 1.00 0.00 C ATOM 510 CG GLU A 36 -11.421 -3.575 -6.449 1.00 0.00 C ATOM 511 CD GLU A 36 -12.774 -3.612 -5.741 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.249 -4.714 -5.391 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.358 -2.528 -5.505 1.00 0.00 O ATOM 0 H GLU A 36 -8.735 -1.796 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.112 -2.402 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.335 -3.926 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.428 -4.766 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.289 -2.607 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.401 -4.329 -7.236 1.00 0.00 H new ATOM 520 N LEU A 37 -8.007 -3.365 -3.346 1.00 0.00 N ATOM 521 CA LEU A 37 -7.256 -4.078 -2.328 1.00 0.00 C ATOM 522 C LEU A 37 -7.128 -3.203 -1.108 1.00 0.00 C ATOM 523 O LEU A 37 -6.984 -3.758 -0.033 1.00 0.00 O ATOM 524 CB LEU A 37 -5.886 -4.566 -2.827 1.00 0.00 C ATOM 525 CG LEU A 37 -4.928 -3.432 -3.225 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.000 -2.923 -2.116 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.043 -3.895 -4.374 1.00 0.00 C ATOM 0 H LEU A 37 -7.445 -3.035 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.806 -4.983 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.419 -5.166 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.035 -5.221 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.585 -2.604 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.369 -2.125 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.598 -2.540 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.373 -3.741 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.363 -3.091 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.466 -4.765 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.665 -4.161 -5.228 1.00 0.00 H new ATOM 539 N LEU A 38 -7.218 -1.868 -1.207 1.00 0.00 N ATOM 540 CA LEU A 38 -7.175 -1.057 -0.021 1.00 0.00 C ATOM 541 C LEU A 38 -8.512 -1.147 0.711 1.00 0.00 C ATOM 542 O LEU A 38 -8.542 -1.042 1.929 1.00 0.00 O ATOM 543 CB LEU A 38 -6.721 0.397 -0.276 1.00 0.00 C ATOM 544 CG LEU A 38 -7.840 1.462 -0.257 1.00 0.00 C ATOM 545 CD1 LEU A 38 -7.227 2.854 -0.174 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.772 1.380 -1.459 1.00 0.00 C ATOM 0 H LEU A 38 -7.318 -1.354 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.398 -1.461 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.979 0.663 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.222 0.438 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.448 1.261 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.021 3.601 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.635 2.937 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.586 3.021 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.534 2.156 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.198 1.524 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.252 0.401 -1.481 1.00 0.00 H new ATOM 558 N VAL A 39 -9.614 -1.286 -0.021 1.00 0.00 N ATOM 559 CA VAL A 39 -10.975 -1.303 0.509 1.00 0.00 C ATOM 560 C VAL A 39 -11.187 -2.668 1.168 1.00 0.00 C ATOM 561 O VAL A 39 -11.620 -2.755 2.318 1.00 0.00 O ATOM 562 CB VAL A 39 -11.940 -0.953 -0.658 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.969 -2.018 -1.051 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.708 0.353 -0.413 1.00 0.00 C ATOM 0 H VAL A 39 -9.583 -1.394 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.170 -0.561 1.283 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.240 -0.865 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.578 -1.648 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.452 -2.927 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.610 -2.238 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.368 0.551 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.301 0.261 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.001 1.176 -0.304 1.00 0.00 H new ATOM 574 N SER A 40 -10.792 -3.715 0.449 1.00 0.00 N ATOM 575 CA SER A 40 -10.793 -5.098 0.870 1.00 0.00 C ATOM 576 C SER A 40 -9.818 -5.275 2.031 1.00 0.00 C ATOM 577 O SER A 40 -10.166 -5.967 2.992 1.00 0.00 O ATOM 578 CB SER A 40 -10.437 -5.993 -0.326 1.00 0.00 C ATOM 579 OG SER A 40 -11.275 -7.130 -0.409 1.00 0.00 O ATOM 0 H SER A 40 -10.442 -3.605 -0.503 1.00 0.00 H new ATOM 0 HA SER A 40 -11.782 -5.391 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.518 -5.416 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.399 -6.314 -0.241 1.00 0.00 H new ATOM 0 HG SER A 40 -11.016 -7.671 -1.184 1.00 0.00 H new ATOM 585 N ALA A 41 -8.659 -4.588 2.012 1.00 0.00 N ATOM 586 CA ALA A 41 -7.738 -4.714 3.139 1.00 0.00 C ATOM 587 C ALA A 41 -8.198 -3.860 4.326 1.00 0.00 C ATOM 588 O ALA A 41 -7.869 -4.179 5.471 1.00 0.00 O ATOM 589 CB ALA A 41 -6.296 -4.386 2.726 1.00 0.00 C ATOM 0 H ALA A 41 -8.354 -3.969 1.261 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.749 -5.755 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.638 -4.490 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.977 -5.072 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.248 -3.363 2.354 1.00 0.00 H new ATOM 595 N GLY A 42 -8.982 -2.808 4.081 1.00 0.00 N ATOM 596 CA GLY A 42 -9.672 -2.047 5.112 1.00 0.00 C ATOM 597 C GLY A 42 -8.919 -0.771 5.461 1.00 0.00 C ATOM 598 O GLY A 42 -9.121 -0.184 6.525 1.00 0.00 O ATOM 0 H GLY A 42 -9.155 -2.458 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.676 -1.796 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.784 -2.661 6.006 1.00 0.00 H new ATOM 602 N ILE A 43 -8.094 -0.300 4.531 1.00 0.00 N ATOM 603 CA ILE A 43 -7.194 0.822 4.666 1.00 0.00 C ATOM 604 C ILE A 43 -8.079 2.072 4.514 1.00 0.00 C ATOM 605 O ILE A 43 -7.912 3.010 5.287 1.00 0.00 O ATOM 606 CB ILE A 43 -6.115 0.749 3.544 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.089 -0.428 3.455 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.276 2.048 3.596 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.367 -1.602 4.391 1.00 0.00 C ATOM 0 H ILE A 43 -8.039 -0.725 3.606 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.666 0.834 5.619 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.748 0.582 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.071 -0.797 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.094 -0.039 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.513 2.020 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.926 2.908 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.797 2.133 4.571 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.601 -2.366 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.353 -1.255 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.346 -2.025 4.164 1.00 0.00 H new ATOM 621 N SER A 44 -9.061 2.078 3.603 1.00 0.00 N ATOM 622 CA SER A 44 -10.126 3.076 3.547 1.00 0.00 C ATOM 623 C SER A 44 -11.376 2.340 3.077 1.00 0.00 C ATOM 624 O SER A 44 -11.354 1.848 1.955 1.00 0.00 O ATOM 625 CB SER A 44 -9.756 4.206 2.585 1.00 0.00 C ATOM 626 OG SER A 44 -9.026 5.211 3.252 1.00 0.00 O ATOM 0 H SER A 44 -9.135 1.372 2.871 1.00 0.00 H new ATOM 0 HA SER A 44 -10.290 3.539 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.166 3.808 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.661 4.633 2.153 1.00 0.00 H new ATOM 0 HG SER A 44 -8.068 5.016 3.188 1.00 0.00 H new ATOM 632 N PRO A 45 -12.425 2.197 3.905 1.00 0.00 N ATOM 633 CA PRO A 45 -13.624 1.447 3.540 1.00 0.00 C ATOM 634 C PRO A 45 -14.650 2.283 2.765 1.00 0.00 C ATOM 635 O PRO A 45 -15.581 1.737 2.172 1.00 0.00 O ATOM 636 CB PRO A 45 -14.205 1.010 4.882 1.00 0.00 C ATOM 637 CG PRO A 45 -13.859 2.169 5.815 1.00 0.00 C ATOM 638 CD PRO A 45 -12.500 2.633 5.295 1.00 0.00 C ATOM 0 HA PRO A 45 -13.379 0.621 2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.282 0.852 4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.764 0.074 5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.603 2.964 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.805 1.848 6.855 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.404 3.716 5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.690 2.201 5.883 1.00 0.00 H new ATOM 646 N SER A 46 -14.507 3.611 2.778 1.00 0.00 N ATOM 647 CA SER A 46 -15.357 4.510 2.014 1.00 0.00 C ATOM 648 C SER A 46 -14.745 4.570 0.630 1.00 0.00 C ATOM 649 O SER A 46 -13.541 4.780 0.542 1.00 0.00 O ATOM 650 CB SER A 46 -15.400 5.880 2.705 1.00 0.00 C ATOM 651 OG SER A 46 -15.577 6.983 1.825 1.00 0.00 O ATOM 0 H SER A 46 -13.791 4.090 3.325 1.00 0.00 H new ATOM 0 HA SER A 46 -16.391 4.172 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.211 5.879 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.473 6.021 3.261 1.00 0.00 H new ATOM 0 HG SER A 46 -15.595 7.815 2.343 1.00 0.00 H new ATOM 657 N LYS A 47 -15.527 4.431 -0.443 1.00 0.00 N ATOM 658 CA LYS A 47 -14.988 4.547 -1.795 1.00 0.00 C ATOM 659 C LYS A 47 -14.481 5.961 -2.063 1.00 0.00 C ATOM 660 O LYS A 47 -13.463 6.101 -2.728 1.00 0.00 O ATOM 661 CB LYS A 47 -15.992 4.106 -2.870 1.00 0.00 C ATOM 662 CG LYS A 47 -16.017 2.579 -3.062 1.00 0.00 C ATOM 663 CD LYS A 47 -16.671 1.842 -1.893 1.00 0.00 C ATOM 664 CE LYS A 47 -16.817 0.350 -2.188 1.00 0.00 C ATOM 665 NZ LYS A 47 -17.906 -0.232 -1.384 1.00 0.00 N ATOM 0 H LYS A 47 -16.528 4.239 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.143 3.862 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.989 4.451 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.739 4.584 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.554 2.342 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.997 2.217 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.072 1.980 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.652 2.273 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.021 0.201 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.881 -0.163 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.991 -1.246 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.696 -0.107 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.801 0.246 -1.613 1.00 0.00 H new ATOM 679 N ARG A 48 -15.119 7.012 -1.536 1.00 0.00 N ATOM 680 CA ARG A 48 -14.619 8.377 -1.724 1.00 0.00 C ATOM 681 C ARG A 48 -13.247 8.499 -1.060 1.00 0.00 C ATOM 682 O ARG A 48 -12.270 8.880 -1.714 1.00 0.00 O ATOM 683 CB ARG A 48 -15.629 9.411 -1.183 1.00 0.00 C ATOM 684 CG ARG A 48 -15.643 10.755 -1.937 1.00 0.00 C ATOM 685 CD ARG A 48 -14.305 11.497 -2.082 1.00 0.00 C ATOM 686 NE ARG A 48 -13.670 11.834 -0.793 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.536 12.544 -0.665 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.971 13.118 -1.721 1.00 0.00 N ATOM 689 NH2 ARG A 48 -11.967 12.673 0.528 1.00 0.00 N ATOM 0 H ARG A 48 -15.973 6.945 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.505 8.588 -2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.628 8.977 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.406 9.601 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.040 10.577 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.343 11.419 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.620 10.881 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.468 12.415 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.123 11.505 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.398 13.023 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.110 13.654 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.391 12.234 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.106 13.211 0.627 1.00 0.00 H new ATOM 703 N GLN A 49 -13.176 8.171 0.240 1.00 0.00 N ATOM 704 CA GLN A 49 -11.918 8.244 0.961 1.00 0.00 C ATOM 705 C GLN A 49 -10.917 7.362 0.247 1.00 0.00 C ATOM 706 O GLN A 49 -9.851 7.861 -0.045 1.00 0.00 O ATOM 707 CB GLN A 49 -12.055 7.857 2.445 1.00 0.00 C ATOM 708 CG GLN A 49 -11.356 8.847 3.408 1.00 0.00 C ATOM 709 CD GLN A 49 -9.832 8.712 3.557 1.00 0.00 C ATOM 710 OE1 GLN A 49 -9.299 8.752 4.663 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.067 8.627 2.483 1.00 0.00 N ATOM 0 H GLN A 49 -13.970 7.858 0.798 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.574 9.278 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.113 7.799 2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.636 6.862 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.576 9.860 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.805 8.735 4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.491 8.593 1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.052 8.596 2.581 1.00 0.00 H new ATOM 720 N ALA A 50 -11.250 6.117 -0.077 1.00 0.00 N ATOM 721 CA ALA A 50 -10.378 5.186 -0.768 1.00 0.00 C ATOM 722 C ALA A 50 -9.780 5.784 -2.038 1.00 0.00 C ATOM 723 O ALA A 50 -8.565 5.742 -2.235 1.00 0.00 O ATOM 724 CB ALA A 50 -11.149 3.916 -1.114 1.00 0.00 C ATOM 0 H ALA A 50 -12.163 5.720 0.143 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.553 4.954 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.490 3.220 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.517 3.453 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.992 4.166 -1.758 1.00 0.00 H new ATOM 730 N ARG A 51 -10.636 6.330 -2.902 1.00 0.00 N ATOM 731 CA ARG A 51 -10.200 6.914 -4.156 1.00 0.00 C ATOM 732 C ARG A 51 -9.236 8.049 -3.897 1.00 0.00 C ATOM 733 O ARG A 51 -8.215 8.090 -4.566 1.00 0.00 O ATOM 734 CB ARG A 51 -11.397 7.308 -5.033 1.00 0.00 C ATOM 735 CG ARG A 51 -12.079 6.041 -5.585 1.00 0.00 C ATOM 736 CD ARG A 51 -13.451 6.328 -6.196 1.00 0.00 C ATOM 737 NE ARG A 51 -14.251 5.095 -6.306 1.00 0.00 N ATOM 738 CZ ARG A 51 -15.534 5.022 -6.677 1.00 0.00 C ATOM 739 NH1 ARG A 51 -16.176 6.102 -7.103 1.00 0.00 N ATOM 740 NH2 ARG A 51 -16.170 3.860 -6.593 1.00 0.00 N ATOM 0 H ARG A 51 -11.643 6.377 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.653 6.166 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.110 7.891 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.064 7.941 -5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.437 5.588 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.189 5.313 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.981 7.056 -5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.327 6.774 -7.183 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.784 4.217 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.691 6.998 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.154 6.036 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.680 3.034 -6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.148 3.793 -6.873 1.00 0.00 H new ATOM 754 N GLU A 52 -9.457 8.886 -2.887 1.00 0.00 N ATOM 755 CA GLU A 52 -8.486 9.949 -2.611 1.00 0.00 C ATOM 756 C GLU A 52 -7.265 9.437 -1.876 1.00 0.00 C ATOM 757 O GLU A 52 -6.159 9.904 -2.126 1.00 0.00 O ATOM 758 CB GLU A 52 -9.145 11.074 -1.824 1.00 0.00 C ATOM 759 CG GLU A 52 -8.195 12.233 -1.464 1.00 0.00 C ATOM 760 CD GLU A 52 -8.977 13.201 -0.578 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.233 12.871 0.604 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.536 14.174 -1.124 1.00 0.00 O ATOM 0 H GLU A 52 -10.265 8.857 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.145 10.332 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.978 11.469 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.563 10.663 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.314 11.860 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.843 12.735 -2.365 1.00 0.00 H new ATOM 769 N ASP A 53 -7.435 8.423 -1.036 1.00 0.00 N ATOM 770 CA ASP A 53 -6.352 7.675 -0.445 1.00 0.00 C ATOM 771 C ASP A 53 -5.426 7.260 -1.544 1.00 0.00 C ATOM 772 O ASP A 53 -4.222 7.276 -1.344 1.00 0.00 O ATOM 773 CB ASP A 53 -6.847 6.456 0.361 1.00 0.00 C ATOM 774 CG ASP A 53 -6.584 6.456 1.868 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.494 7.537 2.492 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.475 5.339 2.431 1.00 0.00 O ATOM 0 H ASP A 53 -8.356 8.097 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.830 8.308 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.922 6.364 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.386 5.563 -0.062 1.00 0.00 H new ATOM 781 N ILE A 54 -5.961 6.865 -2.684 1.00 0.00 N ATOM 782 CA ILE A 54 -5.186 6.339 -3.760 1.00 0.00 C ATOM 783 C ILE A 54 -4.657 7.455 -4.585 1.00 0.00 C ATOM 784 O ILE A 54 -3.471 7.415 -4.822 1.00 0.00 O ATOM 785 CB ILE A 54 -6.034 5.355 -4.556 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.017 4.133 -3.638 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.498 5.083 -5.973 1.00 0.00 C ATOM 788 CD1 ILE A 54 -6.998 3.112 -4.086 1.00 0.00 C ATOM 0 H ILE A 54 -6.962 6.907 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.323 5.789 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.038 5.717 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.017 3.699 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.246 4.438 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.152 4.374 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.469 6.016 -6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.493 4.667 -5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.963 2.255 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.000 3.541 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.752 2.790 -5.098 1.00 0.00 H new ATOM 800 N GLN A 55 -5.492 8.398 -5.001 1.00 0.00 N ATOM 801 CA GLN A 55 -5.130 9.501 -5.860 1.00 0.00 C ATOM 802 C GLN A 55 -4.174 10.465 -5.160 1.00 0.00 C ATOM 803 O GLN A 55 -3.581 11.309 -5.835 1.00 0.00 O ATOM 804 CB GLN A 55 -6.414 10.188 -6.342 1.00 0.00 C ATOM 805 CG GLN A 55 -7.221 9.286 -7.299 1.00 0.00 C ATOM 806 CD GLN A 55 -8.669 9.740 -7.489 1.00 0.00 C ATOM 807 OE1 GLN A 55 -9.319 10.264 -6.587 1.00 0.00 O ATOM 808 NE2 GLN A 55 -9.222 9.533 -8.668 1.00 0.00 N ATOM 0 H GLN A 55 -6.477 8.410 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.587 9.130 -6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.031 10.450 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.160 11.120 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.725 9.264 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.216 8.266 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.681 9.098 -9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.190 9.808 -8.832 1.00 0.00 H new ATOM 817 N ASN A 56 -3.968 10.329 -3.845 1.00 0.00 N ATOM 818 CA ASN A 56 -2.995 11.122 -3.124 1.00 0.00 C ATOM 819 C ASN A 56 -1.599 10.570 -3.209 1.00 0.00 C ATOM 820 O ASN A 56 -1.338 9.426 -2.859 1.00 0.00 O ATOM 821 CB ASN A 56 -3.323 11.226 -1.617 1.00 0.00 C ATOM 822 CG ASN A 56 -4.287 12.311 -1.164 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.345 12.584 0.029 1.00 0.00 O ATOM 824 ND2 ASN A 56 -5.012 12.979 -2.043 1.00 0.00 N ATOM 0 H ASN A 56 -4.476 9.664 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.046 12.097 -3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.729 10.266 -1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.385 11.370 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.627 13.730 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.956 12.744 -3.034 1.00 0.00 H new ATOM 831 N GLY A 57 -0.647 11.475 -3.411 1.00 0.00 N ATOM 832 CA GLY A 57 0.767 11.219 -3.201 1.00 0.00 C ATOM 833 C GLY A 57 1.128 10.788 -1.775 1.00 0.00 C ATOM 834 O GLY A 57 2.292 10.525 -1.505 1.00 0.00 O ATOM 0 H GLY A 57 -0.844 12.423 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.090 10.443 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.328 12.121 -3.448 1.00 0.00 H new ATOM 838 N ALA A 58 0.151 10.677 -0.873 1.00 0.00 N ATOM 839 CA ALA A 58 0.296 10.145 0.461 1.00 0.00 C ATOM 840 C ALA A 58 0.322 8.613 0.458 1.00 0.00 C ATOM 841 O ALA A 58 0.473 8.050 1.534 1.00 0.00 O ATOM 842 CB ALA A 58 -0.853 10.657 1.338 1.00 0.00 C ATOM 0 H ALA A 58 -0.804 10.973 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 58 1.249 10.485 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.747 10.257 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.825 11.746 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.805 10.332 0.917 1.00 0.00 H new ATOM 848 N ILE A 59 0.137 7.909 -0.667 1.00 0.00 N ATOM 849 CA ILE A 59 0.332 6.465 -0.740 1.00 0.00 C ATOM 850 C ILE A 59 1.619 6.172 -1.509 1.00 0.00 C ATOM 851 O ILE A 59 1.716 6.124 -2.751 1.00 0.00 O ATOM 852 CB ILE A 59 -1.003 5.832 -1.068 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.123 4.328 -0.898 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.641 6.329 -2.363 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.467 3.538 -1.997 1.00 0.00 C ATOM 0 H ILE A 59 -0.152 8.330 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 59 0.571 5.941 0.185 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.610 6.221 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.679 4.043 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.179 4.060 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.593 5.822 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.809 7.404 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.977 6.117 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.595 2.473 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.926 3.793 -2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.596 3.775 -2.031 1.00 0.00 H new ATOM 867 N TYR A 60 2.641 6.066 -0.660 1.00 0.00 N ATOM 868 CA TYR A 60 3.960 5.592 -0.952 1.00 0.00 C ATOM 869 C TYR A 60 3.862 4.080 -0.874 1.00 0.00 C ATOM 870 O TYR A 60 3.953 3.506 0.206 1.00 0.00 O ATOM 871 CB TYR A 60 5.016 6.208 -0.006 1.00 0.00 C ATOM 872 CG TYR A 60 4.621 7.402 0.863 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.098 8.581 0.293 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.851 7.368 2.253 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.789 9.685 1.108 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.507 8.451 3.078 1.00 0.00 C ATOM 877 CZ TYR A 60 3.960 9.615 2.506 1.00 0.00 C ATOM 878 OH TYR A 60 3.700 10.697 3.282 1.00 0.00 O ATOM 0 H TYR A 60 2.543 6.334 0.319 1.00 0.00 H new ATOM 0 HA TYR A 60 4.305 5.896 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.364 5.417 0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.868 6.511 -0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.934 8.637 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.301 6.490 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.417 10.594 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.661 8.391 4.145 1.00 0.00 H new ATOM 0 HH TYR A 60 3.869 10.474 4.221 1.00 0.00 H new ATOM 888 N VAL A 61 3.627 3.405 -1.989 1.00 0.00 N ATOM 889 CA VAL A 61 3.540 1.955 -1.942 1.00 0.00 C ATOM 890 C VAL A 61 4.994 1.545 -1.880 1.00 0.00 C ATOM 891 O VAL A 61 5.817 2.026 -2.659 1.00 0.00 O ATOM 892 CB VAL A 61 2.793 1.371 -3.152 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.538 1.643 -4.450 1.00 0.00 C ATOM 894 CG2 VAL A 61 2.560 -0.137 -3.044 1.00 0.00 C ATOM 0 H VAL A 61 3.497 3.822 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 61 2.960 1.580 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 61 1.825 1.873 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.982 1.216 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.639 2.719 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.528 1.189 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.028 -0.487 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.519 -0.649 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.966 -0.351 -2.156 1.00 0.00 H new ATOM 904 N ASN A 62 5.342 0.724 -0.897 1.00 0.00 N ATOM 905 CA ASN A 62 6.676 0.219 -0.626 1.00 0.00 C ATOM 906 C ASN A 62 7.535 1.301 0.036 1.00 0.00 C ATOM 907 O ASN A 62 8.011 1.151 1.162 1.00 0.00 O ATOM 908 CB ASN A 62 7.212 -0.450 -1.907 1.00 0.00 C ATOM 909 CG ASN A 62 7.228 -1.931 -1.657 1.00 0.00 C ATOM 910 OD1 ASN A 62 8.147 -2.501 -1.102 1.00 0.00 O ATOM 911 ND2 ASN A 62 6.150 -2.576 -2.029 1.00 0.00 N ATOM 0 H ASN A 62 4.656 0.373 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 62 6.689 -0.573 0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.579 -0.210 -2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.213 -0.088 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.069 -3.578 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.391 -2.076 -2.493 1.00 0.00 H new ATOM 918 N GLY A 63 7.567 2.453 -0.608 1.00 0.00 N ATOM 919 CA GLY A 63 8.106 3.745 -0.215 1.00 0.00 C ATOM 920 C GLY A 63 7.956 4.771 -1.344 1.00 0.00 C ATOM 921 O GLY A 63 8.386 5.914 -1.195 1.00 0.00 O ATOM 0 H GLY A 63 7.162 2.513 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.590 4.102 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.159 3.639 0.047 1.00 0.00 H new ATOM 925 N GLU A 64 7.315 4.408 -2.454 1.00 0.00 N ATOM 926 CA GLU A 64 7.368 5.107 -3.719 1.00 0.00 C ATOM 927 C GLU A 64 5.973 5.677 -3.954 1.00 0.00 C ATOM 928 O GLU A 64 4.991 4.934 -3.971 1.00 0.00 O ATOM 929 CB GLU A 64 7.806 4.088 -4.777 1.00 0.00 C ATOM 930 CG GLU A 64 8.312 4.737 -6.071 1.00 0.00 C ATOM 931 CD GLU A 64 9.822 4.985 -6.038 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.391 5.234 -4.950 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.464 4.843 -7.104 1.00 0.00 O ATOM 0 H GLU A 64 6.720 3.580 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 64 8.078 5.933 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.594 3.459 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.966 3.434 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.069 4.095 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.793 5.682 -6.229 1.00 0.00 H new ATOM 940 N ARG A 65 5.850 7.002 -3.998 1.00 0.00 N ATOM 941 CA ARG A 65 4.574 7.706 -4.126 1.00 0.00 C ATOM 942 C ARG A 65 3.976 7.342 -5.477 1.00 0.00 C ATOM 943 O ARG A 65 4.487 7.820 -6.490 1.00 0.00 O ATOM 944 CB ARG A 65 4.850 9.213 -3.952 1.00 0.00 C ATOM 945 CG ARG A 65 3.725 10.157 -4.409 1.00 0.00 C ATOM 946 CD ARG A 65 4.097 10.927 -5.680 1.00 0.00 C ATOM 947 NE ARG A 65 3.085 11.943 -5.995 1.00 0.00 N ATOM 948 CZ ARG A 65 2.745 12.370 -7.214 1.00 0.00 C ATOM 949 NH1 ARG A 65 3.461 12.034 -8.280 1.00 0.00 N ATOM 950 NH2 ARG A 65 1.668 13.130 -7.351 1.00 0.00 N ATOM 0 H ARG A 65 6.652 7.631 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 65 3.846 7.422 -3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.055 9.406 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.756 9.463 -4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.818 9.579 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.499 10.864 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.068 11.404 -5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.193 10.233 -6.515 1.00 0.00 H new ATOM 0 HE ARG A 65 2.594 12.364 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.284 11.441 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.188 12.369 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.113 13.380 -6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.394 13.465 -8.275 1.00 0.00 H new ATOM 964 N LEU A 66 2.939 6.496 -5.529 1.00 0.00 N ATOM 965 CA LEU A 66 2.506 5.936 -6.814 1.00 0.00 C ATOM 966 C LEU A 66 0.976 5.875 -6.857 1.00 0.00 C ATOM 967 O LEU A 66 0.365 4.814 -6.770 1.00 0.00 O ATOM 968 CB LEU A 66 3.161 4.582 -7.030 1.00 0.00 C ATOM 969 CG LEU A 66 4.655 4.588 -7.374 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.167 3.186 -7.109 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.925 4.929 -8.836 1.00 0.00 C ATOM 0 H LEU A 66 2.398 6.191 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 66 2.824 6.576 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.022 3.989 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.629 4.070 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 66 5.151 5.349 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.231 3.138 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.011 2.934 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.627 2.477 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.999 4.918 -9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.440 4.193 -9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.529 5.920 -9.058 1.00 0.00 H new ATOM 983 N GLN A 67 0.335 7.035 -6.899 1.00 0.00 N ATOM 984 CA GLN A 67 -1.106 7.224 -6.796 1.00 0.00 C ATOM 985 C GLN A 67 -1.829 6.990 -8.135 1.00 0.00 C ATOM 986 O GLN A 67 -2.524 7.874 -8.638 1.00 0.00 O ATOM 987 CB GLN A 67 -1.394 8.596 -6.130 1.00 0.00 C ATOM 988 CG GLN A 67 -0.626 9.883 -6.391 1.00 0.00 C ATOM 989 CD GLN A 67 -0.530 10.362 -7.829 1.00 0.00 C ATOM 990 OE1 GLN A 67 -1.052 11.423 -8.144 1.00 0.00 O ATOM 991 NE2 GLN A 67 0.144 9.677 -8.734 1.00 0.00 N ATOM 0 H GLN A 67 0.833 7.918 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.530 6.459 -6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.437 8.822 -6.354 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.329 8.424 -5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.088 10.676 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.387 9.753 -6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.583 8.792 -8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.226 10.033 -9.686 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.658 5.807 -8.738 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.418 5.375 -9.920 1.00 0.00 C ATOM 1002 C ASP A 68 -2.644 3.847 -9.965 1.00 0.00 C ATOM 1003 O ASP A 68 -1.807 3.081 -9.491 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.642 5.836 -11.157 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.527 6.056 -12.388 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.313 5.162 -12.777 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.421 7.141 -13.001 1.00 0.00 O ATOM 0 H ASP A 68 -0.981 5.115 -8.416 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.412 5.821 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.121 6.764 -10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.880 5.094 -11.395 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.739 3.395 -10.585 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.058 2.002 -10.956 1.00 0.00 C ATOM 1014 C VAL A 69 -3.081 1.487 -12.003 1.00 0.00 C ATOM 1015 O VAL A 69 -2.612 0.355 -11.913 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.535 1.974 -11.410 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.835 2.747 -12.702 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.096 0.561 -11.540 1.00 0.00 C ATOM 0 H VAL A 69 -4.483 4.035 -10.863 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.945 1.323 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.040 2.494 -10.596 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.897 2.667 -12.936 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.571 3.796 -12.568 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.250 2.328 -13.521 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.136 0.611 -11.862 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.515 0.005 -12.276 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.038 0.056 -10.576 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.690 2.346 -12.941 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.659 2.007 -13.906 1.00 0.00 C ATOM 1030 C GLY A 70 -0.276 1.939 -13.274 1.00 0.00 C ATOM 1031 O GLY A 70 0.659 1.482 -13.931 1.00 0.00 O ATOM 0 H GLY A 70 -3.076 3.284 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.895 1.046 -14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.655 2.748 -14.705 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.129 2.383 -12.025 1.00 0.00 N ATOM 1036 CA ALA A 71 1.080 2.182 -11.254 1.00 0.00 C ATOM 1037 C ALA A 71 1.018 0.832 -10.544 1.00 0.00 C ATOM 1038 O ALA A 71 1.939 0.039 -10.758 1.00 0.00 O ATOM 1039 CB ALA A 71 1.375 3.351 -10.312 1.00 0.00 C ATOM 0 H ALA A 71 -0.856 2.895 -11.524 1.00 0.00 H new ATOM 0 HA ALA A 71 1.930 2.159 -11.936 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.292 3.149 -9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.496 4.265 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.548 3.473 -9.613 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.013 0.532 -9.731 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.098 -0.732 -9.001 1.00 0.00 C ATOM 1047 C ILE A 72 -1.483 -1.367 -9.039 1.00 0.00 C ATOM 1048 O ILE A 72 -2.495 -0.726 -8.739 1.00 0.00 O ATOM 1049 CB ILE A 72 0.338 -0.586 -7.537 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.524 0.369 -7.386 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.744 -1.954 -6.953 1.00 0.00 C ATOM 1052 CD1 ILE A 72 1.049 1.746 -6.915 1.00 0.00 C ATOM 0 H ILE A 72 -0.801 1.159 -9.567 1.00 0.00 H new ATOM 0 HA ILE A 72 0.592 -1.394 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.517 -0.180 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.238 -0.040 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.045 0.464 -8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.050 -1.830 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.104 -2.637 -7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.574 -2.364 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.906 2.411 -6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.353 2.160 -7.645 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.549 1.648 -5.951 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.478 -2.675 -9.299 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.567 -3.577 -9.069 1.00 0.00 C ATOM 1066 C LEU A 73 -2.062 -4.396 -7.871 1.00 0.00 C ATOM 1067 O LEU A 73 -2.243 -3.961 -6.739 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.960 -4.312 -10.356 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.364 -3.323 -11.479 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.596 -4.061 -12.788 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.631 -2.524 -11.208 1.00 0.00 C ATOM 0 H LEU A 73 -0.663 -3.142 -9.697 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.530 -3.134 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.125 -4.926 -10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.790 -4.988 -10.150 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.525 -2.629 -11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.879 -3.348 -13.563 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.681 -4.574 -13.084 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.395 -4.791 -12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.830 -1.861 -12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.471 -3.207 -11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.501 -1.931 -10.303 1.00 0.00 H new ATOM 1083 N THR A 74 -1.304 -5.474 -8.069 1.00 0.00 N ATOM 1084 CA THR A 74 -0.954 -6.433 -7.016 1.00 0.00 C ATOM 1085 C THR A 74 0.539 -6.503 -6.682 1.00 0.00 C ATOM 1086 O THR A 74 1.340 -5.658 -7.070 1.00 0.00 O ATOM 1087 CB THR A 74 -1.519 -7.802 -7.421 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.400 -7.950 -8.824 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.958 -7.850 -6.919 1.00 0.00 C ATOM 0 H THR A 74 -0.909 -5.711 -8.979 1.00 0.00 H new ATOM 0 HA THR A 74 -1.403 -6.087 -6.085 1.00 0.00 H new ATOM 0 HB THR A 74 -0.975 -8.638 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.287 -8.898 -9.045 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.404 -8.809 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.969 -7.732 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.531 -7.044 -7.378 1.00 0.00 H new ATOM 1097 N ALA A 75 0.919 -7.516 -5.901 1.00 0.00 N ATOM 1098 CA ALA A 75 2.274 -7.718 -5.442 1.00 0.00 C ATOM 1099 C ALA A 75 3.266 -7.958 -6.563 1.00 0.00 C ATOM 1100 O ALA A 75 4.327 -7.347 -6.524 1.00 0.00 O ATOM 1101 CB ALA A 75 2.287 -8.870 -4.445 1.00 0.00 C ATOM 0 H ALA A 75 0.270 -8.229 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 75 2.601 -6.796 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.305 -9.033 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.643 -8.627 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.923 -9.775 -4.930 1.00 0.00 H new ATOM 1107 N GLU A 76 2.960 -8.805 -7.546 1.00 0.00 N ATOM 1108 CA GLU A 76 3.843 -8.984 -8.702 1.00 0.00 C ATOM 1109 C GLU A 76 3.833 -7.743 -9.594 1.00 0.00 C ATOM 1110 O GLU A 76 4.752 -7.529 -10.381 1.00 0.00 O ATOM 1111 CB GLU A 76 3.439 -10.274 -9.437 1.00 0.00 C ATOM 1112 CG GLU A 76 4.215 -10.623 -10.717 1.00 0.00 C ATOM 1113 CD GLU A 76 3.620 -10.036 -12.002 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.381 -10.043 -12.193 1.00 0.00 O ATOM 1115 OE2 GLU A 76 4.398 -9.593 -12.876 1.00 0.00 O ATOM 0 H GLU A 76 2.114 -9.375 -7.567 1.00 0.00 H new ATOM 0 HA GLU A 76 4.878 -9.098 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.543 -11.106 -8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.382 -10.201 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.241 -10.270 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.260 -11.708 -10.815 1.00 0.00 H new ATOM 1122 N HIS A 77 2.828 -6.885 -9.429 1.00 0.00 N ATOM 1123 CA HIS A 77 2.735 -5.596 -10.083 1.00 0.00 C ATOM 1124 C HIS A 77 3.555 -4.532 -9.323 1.00 0.00 C ATOM 1125 O HIS A 77 3.552 -3.366 -9.724 1.00 0.00 O ATOM 1126 CB HIS A 77 1.257 -5.242 -10.172 1.00 0.00 C ATOM 1127 CG HIS A 77 0.925 -4.236 -11.221 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.269 -2.917 -11.173 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.033 -4.382 -12.172 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.453 -2.250 -11.993 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.323 -3.108 -12.673 1.00 0.00 N ATOM 0 H HIS A 77 2.036 -7.080 -8.817 1.00 0.00 H new ATOM 0 HA HIS A 77 3.160 -5.632 -11.086 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.689 -6.152 -10.366 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.928 -4.862 -9.205 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.017 -2.512 -10.610 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.488 -5.311 -12.484 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.422 -1.175 -12.094 1.00 0.00 H new ATOM 1139 N ARG A 78 4.230 -4.876 -8.212 1.00 0.00 N ATOM 1140 CA ARG A 78 5.068 -3.927 -7.480 1.00 0.00 C ATOM 1141 C ARG A 78 6.443 -4.540 -7.213 1.00 0.00 C ATOM 1142 O ARG A 78 7.441 -3.962 -7.637 1.00 0.00 O ATOM 1143 CB ARG A 78 4.297 -3.403 -6.240 1.00 0.00 C ATOM 1144 CG ARG A 78 4.637 -2.002 -5.665 1.00 0.00 C ATOM 1145 CD ARG A 78 5.316 -1.005 -6.633 1.00 0.00 C ATOM 1146 NE ARG A 78 6.726 -1.348 -6.913 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.712 -0.530 -7.296 1.00 0.00 C ATOM 1148 NH1 ARG A 78 7.515 0.771 -7.438 1.00 0.00 N ATOM 1149 NH2 ARG A 78 8.925 -1.011 -7.523 1.00 0.00 N ATOM 0 H ARG A 78 4.207 -5.811 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 78 5.281 -3.037 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.236 -3.405 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.437 -4.128 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.715 -1.550 -5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.288 -2.137 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.760 -0.980 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.268 -0.003 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 78 6.978 -2.330 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.595 1.171 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.283 1.374 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.109 -2.007 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.675 -0.385 -7.815 1.00 0.00 H new ATOM 1163 N LEU A 79 6.530 -5.625 -6.453 1.00 0.00 N ATOM 1164 CA LEU A 79 7.702 -6.433 -6.206 1.00 0.00 C ATOM 1165 C LEU A 79 7.775 -7.561 -7.243 1.00 0.00 C ATOM 1166 O LEU A 79 6.913 -7.663 -8.113 1.00 0.00 O ATOM 1167 CB LEU A 79 7.647 -6.984 -4.763 1.00 0.00 C ATOM 1168 CG LEU A 79 6.515 -6.612 -3.784 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.842 -7.323 -2.461 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.403 -5.141 -3.391 1.00 0.00 C ATOM 0 H LEU A 79 5.714 -5.985 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 79 8.605 -5.831 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.648 -8.071 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.583 -6.699 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 79 5.592 -6.886 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.071 -7.095 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.879 -8.400 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.808 -6.979 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.570 -5.011 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.327 -4.822 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.232 -4.538 -4.283 1.00 0.00 H new ATOM 1182 N GLU A 80 8.751 -8.464 -7.098 1.00 0.00 N ATOM 1183 CA GLU A 80 8.891 -9.688 -7.897 1.00 0.00 C ATOM 1184 C GLU A 80 7.613 -10.540 -7.912 1.00 0.00 C ATOM 1185 O GLU A 80 7.371 -11.280 -8.867 1.00 0.00 O ATOM 1186 CB GLU A 80 10.064 -10.528 -7.356 1.00 0.00 C ATOM 1187 CG GLU A 80 9.772 -11.159 -5.978 1.00 0.00 C ATOM 1188 CD GLU A 80 11.031 -11.596 -5.230 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.818 -10.723 -4.804 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.230 -12.805 -4.976 1.00 0.00 O ATOM 0 H GLU A 80 9.488 -8.361 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 80 9.084 -9.379 -8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.296 -11.319 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.950 -9.897 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.226 -10.441 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.121 -12.023 -6.113 1.00 0.00 H new ATOM 1197 N GLY A 81 6.814 -10.458 -6.843 1.00 0.00 N ATOM 1198 CA GLY A 81 5.585 -11.177 -6.640 1.00 0.00 C ATOM 1199 C GLY A 81 5.526 -11.807 -5.263 1.00 0.00 C ATOM 1200 O GLY A 81 5.710 -13.015 -5.129 1.00 0.00 O ATOM 0 H GLY A 81 7.036 -9.846 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.741 -10.499 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.487 -11.953 -7.400 1.00 0.00 H new ATOM 1204 N ARG A 82 5.323 -10.996 -4.218 1.00 0.00 N ATOM 1205 CA ARG A 82 5.242 -11.494 -2.843 1.00 0.00 C ATOM 1206 C ARG A 82 4.129 -10.766 -2.107 1.00 0.00 C ATOM 1207 O ARG A 82 3.032 -11.294 -1.988 1.00 0.00 O ATOM 1208 CB ARG A 82 6.606 -11.427 -2.116 1.00 0.00 C ATOM 1209 CG ARG A 82 7.726 -12.092 -2.920 1.00 0.00 C ATOM 1210 CD ARG A 82 9.066 -12.156 -2.178 1.00 0.00 C ATOM 1211 NE ARG A 82 9.823 -13.333 -2.632 1.00 0.00 N ATOM 1212 CZ ARG A 82 9.494 -14.597 -2.346 1.00 0.00 C ATOM 1213 NH1 ARG A 82 8.530 -14.836 -1.466 1.00 0.00 N ATOM 1214 NH2 ARG A 82 10.105 -15.617 -2.925 1.00 0.00 N ATOM 0 H ARG A 82 5.211 -9.986 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 82 4.990 -12.554 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.865 -10.385 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.521 -11.913 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.419 -13.104 -3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.864 -11.546 -3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.640 -11.248 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.896 -12.212 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 82 10.654 -13.174 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.047 -14.059 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.272 -15.797 -1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.845 -15.448 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.836 -16.573 -2.690 1.00 0.00 H new ATOM 1228 N PHE A 83 4.402 -9.545 -1.658 1.00 0.00 N ATOM 1229 CA PHE A 83 3.536 -8.724 -0.825 1.00 0.00 C ATOM 1230 C PHE A 83 3.352 -7.361 -1.486 1.00 0.00 C ATOM 1231 O PHE A 83 3.785 -7.132 -2.610 1.00 0.00 O ATOM 1232 CB PHE A 83 4.209 -8.546 0.542 1.00 0.00 C ATOM 1233 CG PHE A 83 4.229 -9.769 1.422 1.00 0.00 C ATOM 1234 CD1 PHE A 83 5.319 -10.655 1.370 1.00 0.00 C ATOM 1235 CD2 PHE A 83 3.182 -9.990 2.334 1.00 0.00 C ATOM 1236 CE1 PHE A 83 5.355 -11.758 2.235 1.00 0.00 C ATOM 1237 CE2 PHE A 83 3.255 -11.058 3.238 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.347 -11.939 3.193 1.00 0.00 C ATOM 0 H PHE A 83 5.282 -9.078 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 83 2.562 -9.199 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.236 -8.219 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.699 -7.744 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.123 -10.487 0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.322 -9.337 2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.163 -12.471 2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.473 -11.203 3.968 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.411 -12.756 3.896 1.00 0.00 H new ATOM 1248 N THR A 84 2.750 -6.407 -0.798 1.00 0.00 N ATOM 1249 CA THR A 84 2.810 -5.010 -1.158 1.00 0.00 C ATOM 1250 C THR A 84 2.621 -4.234 0.141 1.00 0.00 C ATOM 1251 O THR A 84 1.604 -4.362 0.824 1.00 0.00 O ATOM 1252 CB THR A 84 1.797 -4.740 -2.279 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.514 -4.839 -3.486 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.105 -3.378 -2.249 1.00 0.00 C ATOM 0 H THR A 84 2.198 -6.589 0.040 1.00 0.00 H new ATOM 0 HA THR A 84 3.759 -4.685 -1.584 1.00 0.00 H new ATOM 0 HB THR A 84 0.992 -5.465 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.198 -5.536 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.413 -3.303 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.555 -3.270 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.853 -2.588 -2.323 1.00 0.00 H new ATOM 1262 N VAL A 85 3.657 -3.487 0.506 1.00 0.00 N ATOM 1263 CA VAL A 85 3.636 -2.524 1.594 1.00 0.00 C ATOM 1264 C VAL A 85 2.941 -1.286 1.040 1.00 0.00 C ATOM 1265 O VAL A 85 3.224 -0.862 -0.078 1.00 0.00 O ATOM 1266 CB VAL A 85 5.099 -2.234 2.008 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.339 -0.871 2.673 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.622 -3.340 2.929 1.00 0.00 C ATOM 0 H VAL A 85 4.561 -3.539 0.037 1.00 0.00 H new ATOM 0 HA VAL A 85 3.108 -2.877 2.480 1.00 0.00 H new ATOM 0 HB VAL A 85 5.648 -2.207 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.395 -0.769 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.050 -0.075 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.742 -0.800 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.652 -3.122 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.003 -3.390 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.584 -4.296 2.407 1.00 0.00 H new ATOM 1278 N ILE A 86 2.076 -0.668 1.828 1.00 0.00 N ATOM 1279 CA ILE A 86 1.314 0.519 1.498 1.00 0.00 C ATOM 1280 C ILE A 86 1.660 1.528 2.559 1.00 0.00 C ATOM 1281 O ILE A 86 1.136 1.405 3.660 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.185 0.172 1.588 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.624 -0.751 0.437 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.094 1.414 1.604 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.651 -0.047 -0.925 1.00 0.00 C ATOM 0 H ILE A 86 1.878 -1.004 2.770 1.00 0.00 H new ATOM 0 HA ILE A 86 1.532 0.896 0.499 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.301 -0.346 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.053 -1.603 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.617 -1.146 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.136 1.101 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.847 2.034 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.943 1.987 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.968 -0.752 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.350 0.789 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.346 0.324 -1.163 1.00 0.00 H new ATOM 1297 N ARG A 87 2.480 2.539 2.285 1.00 0.00 N ATOM 1298 CA ARG A 87 2.637 3.598 3.259 1.00 0.00 C ATOM 1299 C ARG A 87 1.618 4.641 2.862 1.00 0.00 C ATOM 1300 O ARG A 87 1.928 5.565 2.119 1.00 0.00 O ATOM 1301 CB ARG A 87 4.071 4.132 3.314 1.00 0.00 C ATOM 1302 CG ARG A 87 5.149 3.063 3.549 1.00 0.00 C ATOM 1303 CD ARG A 87 6.470 3.757 3.905 1.00 0.00 C ATOM 1304 NE ARG A 87 7.648 3.069 3.357 1.00 0.00 N ATOM 1305 CZ ARG A 87 8.868 3.614 3.285 1.00 0.00 C ATOM 1306 NH1 ARG A 87 9.132 4.769 3.885 1.00 0.00 N ATOM 1307 NH2 ARG A 87 9.811 3.016 2.572 1.00 0.00 N ATOM 0 H ARG A 87 3.024 2.642 1.429 1.00 0.00 H new ATOM 0 HA ARG A 87 2.463 3.250 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.288 4.647 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.137 4.875 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.846 2.394 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.274 2.451 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.448 4.781 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.562 3.815 4.990 1.00 0.00 H new ATOM 0 HE ARG A 87 7.528 2.117 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.401 5.251 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.066 5.174 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.605 2.145 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.743 3.426 2.513 1.00 0.00 H new ATOM 1321 N ARG A 88 0.373 4.469 3.299 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.664 5.454 3.206 1.00 0.00 C ATOM 1323 C ARG A 88 -0.341 6.404 4.352 1.00 0.00 C ATOM 1324 O ARG A 88 -0.912 6.266 5.423 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.011 4.702 3.342 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.264 5.582 3.404 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.381 6.466 2.164 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.691 5.852 0.863 1.00 0.00 N ATOM 1329 CZ ARG A 88 -4.176 4.683 0.440 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.515 3.739 1.277 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -4.373 4.491 -0.859 1.00 0.00 N ATOM 0 H ARG A 88 0.063 3.604 3.741 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.732 6.018 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.111 4.019 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.975 4.091 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.150 4.952 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.229 6.206 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.151 7.211 2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.439 7.003 2.056 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.482 6.480 0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.411 3.886 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.883 2.855 0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.154 5.233 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.743 3.601 -1.193 1.00 0.00 H new ATOM 1345 N GLY A 89 0.585 7.342 4.151 1.00 0.00 N ATOM 1346 CA GLY A 89 1.012 8.331 5.133 1.00 0.00 C ATOM 1347 C GLY A 89 -0.176 9.041 5.782 1.00 0.00 C ATOM 1348 O GLY A 89 -0.160 9.301 6.981 1.00 0.00 O ATOM 0 H GLY A 89 1.076 7.435 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.608 7.843 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.655 9.067 4.651 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.260 9.264 5.026 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.537 9.781 5.529 1.00 0.00 C ATOM 1354 C LYS A 90 -3.301 8.779 6.430 1.00 0.00 C ATOM 1355 O LYS A 90 -4.513 8.933 6.596 1.00 0.00 O ATOM 1356 CB LYS A 90 -3.381 10.291 4.342 1.00 0.00 C ATOM 1357 CG LYS A 90 -4.375 11.398 4.764 1.00 0.00 C ATOM 1358 CD LYS A 90 -5.514 11.658 3.763 1.00 0.00 C ATOM 1359 CE LYS A 90 -6.278 10.399 3.323 1.00 0.00 C ATOM 1360 NZ LYS A 90 -6.625 9.467 4.426 1.00 0.00 N ATOM 0 H LYS A 90 -1.272 9.085 4.022 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.325 10.619 6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.719 10.676 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.932 9.458 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.810 11.128 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.822 12.326 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.220 12.358 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.100 12.143 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.196 10.704 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.676 9.863 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.378 8.495 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.095 9.729 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.645 9.523 4.620 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.664 7.713 6.927 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.084 6.851 8.029 1.00 0.00 C ATOM 1376 C LYS A 91 -1.872 6.050 8.522 1.00 0.00 C ATOM 1377 O LYS A 91 -1.280 6.451 9.523 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.310 5.974 7.714 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.761 5.242 8.997 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.259 4.919 9.026 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.660 4.028 7.853 1.00 0.00 C ATOM 1382 NZ LYS A 91 -8.044 3.545 7.976 1.00 0.00 N ATOM 0 H LYS A 91 -1.772 7.410 6.536 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.441 7.488 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.122 6.590 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.063 5.250 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.196 4.315 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.514 5.857 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.507 4.422 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.833 5.845 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.551 4.584 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.982 3.176 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.379 3.211 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.079 2.762 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.654 4.320 8.306 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.498 4.921 7.897 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.424 4.061 8.335 1.00 0.00 C ATOM 1398 C LYS A 92 0.091 3.217 7.160 1.00 0.00 C ATOM 1399 O LYS A 92 -0.208 3.441 5.975 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.962 3.217 9.512 1.00 0.00 C ATOM 1401 CG LYS A 92 0.073 2.691 10.532 1.00 0.00 C ATOM 1402 CD LYS A 92 0.956 3.775 11.173 1.00 0.00 C ATOM 1403 CE LYS A 92 0.161 4.658 12.141 1.00 0.00 C ATOM 1404 NZ LYS A 92 0.059 4.041 13.479 1.00 0.00 N ATOM 0 H LYS A 92 -1.958 4.586 7.050 1.00 0.00 H new ATOM 0 HA LYS A 92 0.437 4.630 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.694 3.817 10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.495 2.361 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.455 2.158 11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.717 1.966 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.781 3.303 11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.394 4.396 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.642 5.632 12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.838 4.829 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.485 4.665 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.422 3.122 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.012 3.901 13.870 1.00 0.00 H new ATOM 1418 N TYR A 93 0.914 2.250 7.525 1.00 0.00 N ATOM 1419 CA TYR A 93 1.740 1.440 6.661 1.00 0.00 C ATOM 1420 C TYR A 93 1.199 0.011 6.536 1.00 0.00 C ATOM 1421 O TYR A 93 1.697 -0.911 7.172 1.00 0.00 O ATOM 1422 CB TYR A 93 3.178 1.415 7.147 1.00 0.00 C ATOM 1423 CG TYR A 93 3.920 2.721 7.390 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.580 3.913 6.721 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.037 2.707 8.246 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.410 5.042 6.810 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.865 3.838 8.355 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.574 4.998 7.605 1.00 0.00 C ATOM 1429 OH TYR A 93 6.431 6.051 7.628 1.00 0.00 O ATOM 0 H TYR A 93 1.027 1.995 8.506 1.00 0.00 H new ATOM 0 HA TYR A 93 1.714 1.898 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.195 0.853 8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.756 0.844 6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.674 3.959 6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.260 1.822 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.157 5.943 6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.722 3.819 9.012 1.00 0.00 H new ATOM 0 HH TYR A 93 7.179 5.851 8.229 1.00 0.00 H new ATOM 1439 N TYR A 94 0.151 -0.174 5.749 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.572 -1.427 5.619 1.00 0.00 C ATOM 1441 C TYR A 94 0.144 -2.409 4.707 1.00 0.00 C ATOM 1442 O TYR A 94 1.134 -2.071 4.053 1.00 0.00 O ATOM 1443 CB TYR A 94 -1.954 -1.061 5.110 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.784 -0.368 6.170 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.460 -1.148 7.124 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -2.853 1.038 6.232 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.232 -0.532 8.119 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -3.606 1.661 7.244 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.295 0.875 8.195 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.006 1.472 9.189 1.00 0.00 O ATOM 0 H TYR A 94 -0.232 0.569 5.164 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.638 -1.945 6.576 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.860 -0.410 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.469 -1.963 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.385 -2.225 7.090 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.328 1.637 5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.779 -1.136 8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.657 2.739 7.294 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.451 2.152 9.625 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.380 -3.633 4.670 1.00 0.00 N ATOM 1461 CA LEU A 95 0.259 -4.764 4.033 1.00 0.00 C ATOM 1462 C LEU A 95 -0.777 -5.622 3.309 1.00 0.00 C ATOM 1463 O LEU A 95 -1.853 -5.884 3.842 1.00 0.00 O ATOM 1464 CB LEU A 95 1.015 -5.558 5.106 1.00 0.00 C ATOM 1465 CG LEU A 95 1.678 -6.849 4.600 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.577 -6.562 3.400 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.536 -7.484 5.702 1.00 0.00 C ATOM 0 H LEU A 95 -1.279 -3.862 5.093 1.00 0.00 H new ATOM 0 HA LEU A 95 0.970 -4.427 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.783 -4.917 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.321 -5.812 5.907 1.00 0.00 H new ATOM 0 HG LEU A 95 0.880 -7.532 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.036 -7.490 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.982 -6.134 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.356 -5.857 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.997 -8.397 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.314 -6.784 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.908 -7.723 6.560 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.444 -6.070 2.105 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.266 -6.926 1.258 1.00 0.00 C ATOM 1481 C ILE A 96 -0.423 -8.107 0.776 1.00 0.00 C ATOM 1482 O ILE A 96 0.748 -7.927 0.436 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.813 -6.079 0.076 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.879 -5.076 0.573 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.404 -6.933 -1.066 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -2.331 -3.675 0.842 1.00 0.00 C ATOM 0 H ILE A 96 0.449 -5.835 1.672 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.116 -7.327 1.810 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.955 -5.544 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.674 -5.008 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.329 -5.462 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.768 -6.279 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.632 -7.592 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.230 -7.532 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.138 -3.029 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.556 -3.728 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.907 -3.268 -0.076 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.031 -9.293 0.703 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.526 -10.454 -0.041 1.00 0.00 C ATOM 1500 C ARG A 97 -1.667 -11.077 -0.845 1.00 0.00 C ATOM 1501 O ARG A 97 -2.844 -10.698 -0.803 1.00 0.00 O ATOM 1502 CB ARG A 97 0.102 -11.533 0.885 1.00 0.00 C ATOM 1503 CG ARG A 97 1.324 -12.302 0.333 1.00 0.00 C ATOM 1504 CD ARG A 97 1.691 -13.554 1.154 1.00 0.00 C ATOM 1505 NE ARG A 97 2.713 -14.369 0.464 1.00 0.00 N ATOM 1506 CZ ARG A 97 3.830 -14.933 0.954 1.00 0.00 C ATOM 1507 NH1 ARG A 97 4.108 -14.955 2.253 1.00 0.00 N ATOM 1508 NH2 ARG A 97 4.669 -15.495 0.092 1.00 0.00 N ATOM 0 H ARG A 97 -1.916 -9.480 1.174 1.00 0.00 H new ATOM 0 HA ARG A 97 0.263 -10.097 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.397 -11.050 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.672 -12.259 1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.120 -12.600 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.183 -11.631 0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.063 -13.253 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.798 -14.155 1.324 1.00 0.00 H new ATOM 0 HE ARG A 97 2.546 -14.526 -0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.462 -14.533 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.968 -15.394 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.455 -15.489 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.527 -15.933 0.427 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.285 -12.121 -1.542 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.130 -13.107 -2.121 1.00 0.00 C ATOM 1524 C TYR A 98 -1.725 -14.450 -1.533 1.00 0.00 C ATOM 1525 O TYR A 98 -0.632 -14.586 -0.973 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.031 -13.085 -3.639 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.745 -12.676 -4.327 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.505 -13.162 -3.897 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.829 -11.882 -5.488 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.666 -12.865 -4.625 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.325 -11.592 -6.227 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.571 -12.096 -5.801 1.00 0.00 C ATOM 1533 OH TYR A 98 2.680 -11.795 -6.505 1.00 0.00 O ATOM 0 H TYR A 98 -0.299 -12.306 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.177 -12.909 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.277 -14.087 -3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.814 -12.419 -4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.570 -13.765 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.785 -11.496 -5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.627 -13.224 -4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.261 -10.986 -7.118 1.00 0.00 H new ATOM 0 HH TYR A 98 2.844 -12.494 -7.172 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.619 -15.422 -1.663 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.422 -16.798 -1.252 1.00 0.00 C ATOM 1545 C ALA A 99 -1.404 -17.524 -2.137 1.00 0.00 C ATOM 1546 O ALA A 99 -1.736 -18.406 -2.928 1.00 0.00 O ATOM 1547 CB ALA A 99 -3.780 -17.491 -1.202 1.00 0.00 C ATOM 0 H ALA A 99 -3.538 -15.262 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.986 -16.823 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.648 -18.528 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.424 -16.979 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.240 -17.462 -2.190 1.00 0.00 H new