USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= -0.0021 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.4 K(o=-2.4,f=-1.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -46:sc= -0.242 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.84 USER MOD Single : A 36 HIS : no HE2:sc= -0.727 X(o=-0.73,f=-0.65) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -5! C(o=-5!,f=-6.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0022 USER MOD Single : A 72 MET CE :methyl 137:sc= -1.87 (180deg=-4.61!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0166) USER MOD Single : A 79 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.6) USER MOD Single : A 80 ASN : amide:sc= 0.202 X(o=0.2,f=-0.25) USER MOD Single : A 81 HIS : no HD1:sc= -0.429 X(o=-0.43,f=0.0063) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-1.2) USER MOD Single : A 88 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.0011) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0086 USER MOD Single : A 91 THR OG1 : rot 63:sc= 0.312 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= -0.0578 (180deg=-0.215) USER MOD Single : A 101 ASN : amide:sc= -2.37 K(o=-2.4,f=-15!) USER MOD Single : A 102 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.1!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.41) USER MOD Single : A 108 SER OG : rot 119:sc= 1.03 USER MOD Single : A 111 THR OG1 : rot -130:sc= -0.0119 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -172:sc= 0.917 USER MOD Single : A 116 ASN : amide:sc= -1.74! X(o=-1.7!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.698 -16.473 -5.895 1.00 0.00 N ATOM 174 CA ALA A 15 -3.688 -15.021 -5.771 1.00 0.00 C ATOM 175 C ALA A 15 -3.051 -14.586 -4.455 1.00 0.00 C ATOM 176 O ALA A 15 -3.216 -15.227 -3.417 1.00 0.00 O ATOM 177 CB ALA A 15 -5.103 -14.472 -5.880 1.00 0.00 C ATOM 0 HA ALA A 15 -3.088 -14.616 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.080 -13.386 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.525 -14.743 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.719 -14.893 -5.085 1.00 0.00 H new ATOM 183 N PRO A 16 -2.304 -13.473 -4.498 1.00 0.00 N ATOM 184 CA PRO A 16 -1.626 -12.929 -3.317 1.00 0.00 C ATOM 185 C PRO A 16 -2.606 -12.351 -2.302 1.00 0.00 C ATOM 186 O PRO A 16 -3.423 -11.492 -2.633 1.00 0.00 O ATOM 187 CB PRO A 16 -0.740 -11.823 -3.895 1.00 0.00 C ATOM 188 CG PRO A 16 -1.418 -11.415 -5.158 1.00 0.00 C ATOM 189 CD PRO A 16 -2.064 -12.659 -5.701 1.00 0.00 C ATOM 0 HA PRO A 16 -1.074 -13.696 -2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.652 -10.984 -3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.270 -12.185 -4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.161 -10.640 -4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.702 -11.004 -5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.993 -12.433 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.414 -13.172 -6.410 1.00 0.00 H new ATOM 197 N ASN A 17 -2.518 -12.827 -1.064 1.00 0.00 N ATOM 198 CA ASN A 17 -3.397 -12.356 0.000 1.00 0.00 C ATOM 199 C ASN A 17 -3.371 -10.834 0.095 1.00 0.00 C ATOM 200 O ASN A 17 -2.321 -10.199 -0.006 1.00 0.00 O ATOM 201 CB ASN A 17 -2.984 -12.969 1.340 1.00 0.00 C ATOM 202 CG ASN A 17 -3.769 -12.396 2.504 1.00 0.00 C ATOM 203 OD1 ASN A 17 -4.756 -12.982 2.949 1.00 0.00 O ATOM 204 ND2 ASN A 17 -3.333 -11.246 3.003 1.00 0.00 N ATOM 0 H ASN A 17 -1.847 -13.538 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.413 -12.669 -0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.130 -14.049 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.920 -12.797 1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.821 -10.813 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.510 -10.796 2.602 1.00 0.00 H new ATOM 211 N PRO A 18 -4.553 -10.233 0.293 1.00 0.00 N ATOM 212 CA PRO A 18 -4.692 -8.778 0.407 1.00 0.00 C ATOM 213 C PRO A 18 -4.090 -8.237 1.699 1.00 0.00 C ATOM 214 O PRO A 18 -4.380 -8.716 2.795 1.00 0.00 O ATOM 215 CB PRO A 18 -6.208 -8.564 0.393 1.00 0.00 C ATOM 216 CG PRO A 18 -6.776 -9.846 0.898 1.00 0.00 C ATOM 217 CD PRO A 18 -5.845 -10.927 0.422 1.00 0.00 C ATOM 0 HA PRO A 18 -4.166 -8.255 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.495 -7.726 1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.567 -8.340 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.844 -9.841 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.785 -10.003 0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.789 -11.751 1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.171 -11.348 -0.529 1.00 0.00 H new ATOM 225 N PRO A 19 -3.232 -7.214 1.570 1.00 0.00 N ATOM 226 CA PRO A 19 -2.572 -6.585 2.718 1.00 0.00 C ATOM 227 C PRO A 19 -3.545 -5.789 3.581 1.00 0.00 C ATOM 228 O PRO A 19 -4.634 -5.429 3.135 1.00 0.00 O ATOM 229 CB PRO A 19 -1.546 -5.653 2.070 1.00 0.00 C ATOM 230 CG PRO A 19 -2.104 -5.353 0.722 1.00 0.00 C ATOM 231 CD PRO A 19 -2.841 -6.592 0.294 1.00 0.00 C ATOM 0 HA PRO A 19 -2.133 -7.322 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.413 -4.743 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.569 -6.130 1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.774 -4.494 0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.310 -5.108 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.710 -6.351 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.207 -7.253 -0.297 1.00 0.00 H new ATOM 239 N SER A 20 -3.144 -5.516 4.819 1.00 0.00 N ATOM 240 CA SER A 20 -3.982 -4.765 5.746 1.00 0.00 C ATOM 241 C SER A 20 -3.358 -3.410 6.067 1.00 0.00 C ATOM 242 O SER A 20 -2.372 -3.327 6.800 1.00 0.00 O ATOM 243 CB SER A 20 -4.192 -5.560 7.036 1.00 0.00 C ATOM 244 OG SER A 20 -5.337 -6.390 6.942 1.00 0.00 O ATOM 0 H SER A 20 -2.244 -5.804 5.203 1.00 0.00 H new ATOM 0 HA SER A 20 -4.948 -4.597 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.312 -6.170 7.238 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.304 -4.874 7.876 1.00 0.00 H new ATOM 0 HG SER A 20 -5.449 -6.889 7.778 1.00 0.00 H new ATOM 250 N ILE A 21 -3.939 -2.352 5.512 1.00 0.00 N ATOM 251 CA ILE A 21 -3.441 -1.001 5.740 1.00 0.00 C ATOM 252 C ILE A 21 -3.737 -0.538 7.163 1.00 0.00 C ATOM 253 O ILE A 21 -4.876 -0.215 7.497 1.00 0.00 O ATOM 254 CB ILE A 21 -4.059 0.001 4.748 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.756 -0.420 3.308 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.536 1.404 5.016 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.519 0.376 2.272 1.00 0.00 C ATOM 0 H ILE A 21 -4.755 -2.404 4.902 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.362 -1.033 5.588 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.140 0.005 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.687 -0.311 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.994 -1.477 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.982 2.100 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.798 1.702 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.452 1.416 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.255 0.023 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.590 0.247 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.263 1.432 2.363 1.00 0.00 H new ATOM 269 N ARG A 22 -2.702 -0.508 7.996 1.00 0.00 N ATOM 270 CA ARG A 22 -2.850 -0.084 9.383 1.00 0.00 C ATOM 271 C ARG A 22 -2.886 1.438 9.486 1.00 0.00 C ATOM 272 O ARG A 22 -1.995 2.124 8.987 1.00 0.00 O ATOM 273 CB ARG A 22 -1.704 -0.636 10.233 1.00 0.00 C ATOM 274 CG ARG A 22 -1.637 -2.154 10.253 1.00 0.00 C ATOM 275 CD ARG A 22 -2.892 -2.759 10.862 1.00 0.00 C ATOM 276 NE ARG A 22 -4.027 -2.704 9.944 1.00 0.00 N ATOM 277 CZ ARG A 22 -5.292 -2.822 10.331 1.00 0.00 C ATOM 278 NH1 ARG A 22 -5.583 -3.000 11.613 1.00 0.00 N ATOM 279 NH2 ARG A 22 -6.270 -2.762 9.436 1.00 0.00 N ATOM 0 H ARG A 22 -1.752 -0.772 7.735 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.794 -0.479 9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.760 -0.244 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.813 -0.272 11.255 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.508 -2.527 9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.764 -2.473 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.698 -3.796 11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.142 -2.227 11.780 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.838 -2.567 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.834 -3.047 12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.555 -3.090 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.051 -2.625 8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.241 -2.853 9.735 1.00 0.00 H new ATOM 293 N GLU A 23 -3.923 1.957 10.135 1.00 0.00 N ATOM 294 CA GLU A 23 -4.076 3.398 10.302 1.00 0.00 C ATOM 295 C GLU A 23 -3.364 3.878 11.563 1.00 0.00 C ATOM 296 O GLU A 23 -2.928 5.026 11.642 1.00 0.00 O ATOM 297 CB GLU A 23 -5.558 3.773 10.365 1.00 0.00 C ATOM 298 CG GLU A 23 -6.317 3.471 9.084 1.00 0.00 C ATOM 299 CD GLU A 23 -7.820 3.575 9.259 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.438 2.581 9.693 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.378 4.652 8.960 1.00 0.00 O ATOM 0 H GLU A 23 -4.669 1.402 10.554 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.622 3.888 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.025 3.235 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.646 4.836 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.997 4.163 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.063 2.467 8.743 1.00 0.00 H new ATOM 308 N GLU A 24 -3.252 2.991 12.547 1.00 0.00 N ATOM 309 CA GLU A 24 -2.595 3.325 13.805 1.00 0.00 C ATOM 310 C GLU A 24 -1.080 3.380 13.629 1.00 0.00 C ATOM 311 O GLU A 24 -0.380 4.059 14.382 1.00 0.00 O ATOM 312 CB GLU A 24 -2.958 2.302 14.883 1.00 0.00 C ATOM 313 CG GLU A 24 -2.544 0.882 14.538 1.00 0.00 C ATOM 314 CD GLU A 24 -3.174 -0.148 15.456 1.00 0.00 C ATOM 315 OE1 GLU A 24 -4.415 -0.138 15.598 1.00 0.00 O ATOM 316 OE2 GLU A 24 -2.425 -0.965 16.032 1.00 0.00 O ATOM 0 H GLU A 24 -3.608 2.036 12.497 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.943 4.309 14.117 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.485 2.592 15.821 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.035 2.328 15.048 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.826 0.666 13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.459 0.800 14.596 1.00 0.00 H new ATOM 323 N LEU A 25 -0.579 2.659 12.632 1.00 0.00 N ATOM 324 CA LEU A 25 0.853 2.623 12.357 1.00 0.00 C ATOM 325 C LEU A 25 1.238 3.690 11.337 1.00 0.00 C ATOM 326 O LEU A 25 2.355 4.208 11.357 1.00 0.00 O ATOM 327 CB LEU A 25 1.259 1.241 11.844 1.00 0.00 C ATOM 328 CG LEU A 25 0.846 0.053 12.714 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.384 -1.246 12.135 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.334 0.244 14.143 1.00 0.00 C ATOM 0 H LEU A 25 -1.144 2.091 12.000 1.00 0.00 H new ATOM 0 HA LEU A 25 1.382 2.828 13.288 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.831 1.104 10.851 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.343 1.222 11.729 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.243 -0.002 12.726 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.080 -2.080 12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.986 -1.389 11.130 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.472 -1.202 12.091 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.031 -0.611 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.421 0.326 14.148 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.900 1.154 14.557 1.00 0.00 H new ATOM 342 N CYS A 26 0.306 4.015 10.448 1.00 0.00 N ATOM 343 CA CYS A 26 0.547 5.022 9.421 1.00 0.00 C ATOM 344 C CYS A 26 0.593 6.420 10.030 1.00 0.00 C ATOM 345 O CYS A 26 -0.126 6.718 10.984 1.00 0.00 O ATOM 346 CB CYS A 26 -0.540 4.956 8.347 1.00 0.00 C ATOM 347 SG CYS A 26 -2.050 5.857 8.769 1.00 0.00 S ATOM 0 H CYS A 26 -0.623 3.596 10.418 1.00 0.00 H new ATOM 0 HA CYS A 26 1.514 4.813 8.962 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.140 5.355 7.415 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.792 3.911 8.164 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.400 5.571 9.988 1.00 0.00 H new ATOM 353 N THR A 27 1.446 7.275 9.473 1.00 0.00 N ATOM 354 CA THR A 27 1.589 8.640 9.962 1.00 0.00 C ATOM 355 C THR A 27 1.349 9.651 8.847 1.00 0.00 C ATOM 356 O THR A 27 1.560 9.355 7.672 1.00 0.00 O ATOM 357 CB THR A 27 2.986 8.878 10.564 1.00 0.00 C ATOM 358 OG1 THR A 27 3.980 8.810 9.536 1.00 0.00 O ATOM 359 CG2 THR A 27 3.293 7.850 11.642 1.00 0.00 C ATOM 0 H THR A 27 2.048 7.045 8.682 1.00 0.00 H new ATOM 0 HA THR A 27 0.839 8.777 10.741 1.00 0.00 H new ATOM 0 HB THR A 27 2.999 9.870 11.016 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.866 8.964 9.927 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.285 8.038 12.052 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.551 7.924 12.437 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.263 6.850 11.210 1.00 0.00 H new ATOM 367 N ALA A 28 0.907 10.847 9.224 1.00 0.00 N ATOM 368 CA ALA A 28 0.641 11.903 8.255 1.00 0.00 C ATOM 369 C ALA A 28 1.512 13.126 8.523 1.00 0.00 C ATOM 370 O ALA A 28 1.646 13.567 9.665 1.00 0.00 O ATOM 371 CB ALA A 28 -0.831 12.286 8.283 1.00 0.00 C ATOM 0 H ALA A 28 0.726 11.108 10.193 1.00 0.00 H new ATOM 0 HA ALA A 28 0.888 11.523 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.015 13.076 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.438 11.415 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.095 12.642 9.279 1.00 0.00 H new ATOM 377 N SER A 29 2.104 13.668 7.464 1.00 0.00 N ATOM 378 CA SER A 29 2.967 14.837 7.586 1.00 0.00 C ATOM 379 C SER A 29 2.553 15.923 6.598 1.00 0.00 C ATOM 380 O SER A 29 1.776 15.676 5.675 1.00 0.00 O ATOM 381 CB SER A 29 4.427 14.447 7.350 1.00 0.00 C ATOM 382 OG SER A 29 4.973 13.801 8.487 1.00 0.00 O ATOM 0 H SER A 29 2.002 13.317 6.512 1.00 0.00 H new ATOM 0 HA SER A 29 2.863 15.231 8.597 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.495 13.787 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.012 15.337 7.118 1.00 0.00 H new ATOM 0 HG SER A 29 5.906 13.560 8.310 1.00 0.00 H new ATOM 388 N HIS A 30 3.078 17.128 6.798 1.00 0.00 N ATOM 389 CA HIS A 30 2.764 18.254 5.925 1.00 0.00 C ATOM 390 C HIS A 30 2.607 17.792 4.479 1.00 0.00 C ATOM 391 O HIS A 30 1.496 17.746 3.950 1.00 0.00 O ATOM 392 CB HIS A 30 3.858 19.318 6.016 1.00 0.00 C ATOM 393 CG HIS A 30 5.237 18.749 6.154 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.698 18.168 7.316 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.256 18.674 5.267 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.942 17.761 7.138 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.304 18.056 5.903 1.00 0.00 N ATOM 0 H HIS A 30 3.723 17.350 7.557 1.00 0.00 H new ATOM 0 HA HIS A 30 1.819 18.686 6.255 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.820 19.944 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.654 19.965 6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.247 19.033 4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.558 17.270 7.877 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.215 17.857 5.489 1.00 0.00 H new ATOM 406 N ASP A 31 3.724 17.452 3.847 1.00 0.00 N ATOM 407 CA ASP A 31 3.710 16.994 2.462 1.00 0.00 C ATOM 408 C ASP A 31 4.194 15.551 2.363 1.00 0.00 C ATOM 409 O ASP A 31 4.463 15.048 1.271 1.00 0.00 O ATOM 410 CB ASP A 31 4.585 17.899 1.594 1.00 0.00 C ATOM 411 CG ASP A 31 4.290 19.370 1.811 1.00 0.00 C ATOM 412 OD1 ASP A 31 3.134 19.700 2.150 1.00 0.00 O ATOM 413 OD2 ASP A 31 5.215 20.192 1.642 1.00 0.00 O ATOM 0 H ASP A 31 4.651 17.485 4.271 1.00 0.00 H new ATOM 0 HA ASP A 31 2.683 17.040 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.635 17.705 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.430 17.651 0.544 1.00 0.00 H new ATOM 418 N THR A 32 4.305 14.888 3.510 1.00 0.00 N ATOM 419 CA THR A 32 4.759 13.504 3.553 1.00 0.00 C ATOM 420 C THR A 32 3.750 12.617 4.273 1.00 0.00 C ATOM 421 O THR A 32 2.946 13.097 5.072 1.00 0.00 O ATOM 422 CB THR A 32 6.125 13.382 4.255 1.00 0.00 C ATOM 423 OG1 THR A 32 6.252 14.395 5.259 1.00 0.00 O ATOM 424 CG2 THR A 32 7.261 13.510 3.252 1.00 0.00 C ATOM 0 H THR A 32 4.086 15.288 4.422 1.00 0.00 H new ATOM 0 HA THR A 32 4.859 13.172 2.520 1.00 0.00 H new ATOM 0 HB THR A 32 6.183 12.399 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.122 14.310 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.216 13.421 3.770 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.178 12.720 2.506 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.205 14.481 2.760 1.00 0.00 H new ATOM 432 N ILE A 33 3.797 11.320 3.984 1.00 0.00 N ATOM 433 CA ILE A 33 2.887 10.366 4.606 1.00 0.00 C ATOM 434 C ILE A 33 3.460 8.953 4.563 1.00 0.00 C ATOM 435 O ILE A 33 3.902 8.481 3.515 1.00 0.00 O ATOM 436 CB ILE A 33 1.510 10.371 3.918 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.879 11.763 4.001 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.597 9.331 4.552 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.485 11.848 3.352 1.00 0.00 C ATOM 0 H ILE A 33 4.455 10.907 3.324 1.00 0.00 H new ATOM 0 HA ILE A 33 2.766 10.675 5.644 1.00 0.00 H new ATOM 0 HB ILE A 33 1.645 10.116 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.793 12.052 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.544 12.484 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.373 9.347 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.043 8.342 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.466 9.558 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.871 12.863 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.402 11.590 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.165 11.152 3.843 1.00 0.00 H new ATOM 451 N THR A 34 3.446 8.280 5.710 1.00 0.00 N ATOM 452 CA THR A 34 3.963 6.921 5.804 1.00 0.00 C ATOM 453 C THR A 34 2.836 5.919 6.030 1.00 0.00 C ATOM 454 O THR A 34 2.178 5.934 7.070 1.00 0.00 O ATOM 455 CB THR A 34 4.990 6.788 6.945 1.00 0.00 C ATOM 456 OG1 THR A 34 5.843 7.937 6.972 1.00 0.00 O ATOM 457 CG2 THR A 34 5.829 5.531 6.773 1.00 0.00 C ATOM 0 H THR A 34 3.082 8.655 6.586 1.00 0.00 H new ATOM 0 HA THR A 34 4.455 6.703 4.856 1.00 0.00 H new ATOM 0 HB THR A 34 4.447 6.717 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.492 7.846 7.701 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.547 5.458 7.590 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.179 4.656 6.782 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.363 5.577 5.824 1.00 0.00 H new ATOM 465 N VAL A 35 2.620 5.048 5.050 1.00 0.00 N ATOM 466 CA VAL A 35 1.573 4.037 5.143 1.00 0.00 C ATOM 467 C VAL A 35 2.159 2.668 5.472 1.00 0.00 C ATOM 468 O VAL A 35 3.031 2.167 4.761 1.00 0.00 O ATOM 469 CB VAL A 35 0.770 3.938 3.833 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.298 2.861 3.941 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.150 5.283 3.486 1.00 0.00 C ATOM 0 H VAL A 35 3.156 5.022 4.182 1.00 0.00 H new ATOM 0 HA VAL A 35 0.905 4.346 5.947 1.00 0.00 H new ATOM 0 HB VAL A 35 1.452 3.660 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.855 2.806 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.174 1.899 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.980 3.105 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.414 5.195 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.519 5.593 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.938 6.026 3.363 1.00 0.00 H new ATOM 481 N HIS A 36 1.674 2.067 6.554 1.00 0.00 N ATOM 482 CA HIS A 36 2.149 0.755 6.976 1.00 0.00 C ATOM 483 C HIS A 36 1.117 -0.324 6.661 1.00 0.00 C ATOM 484 O HIS A 36 -0.044 -0.220 7.056 1.00 0.00 O ATOM 485 CB HIS A 36 2.458 0.759 8.474 1.00 0.00 C ATOM 486 CG HIS A 36 3.535 1.726 8.860 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.568 1.400 9.714 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.737 3.016 8.503 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.357 2.448 9.866 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.875 3.442 9.142 1.00 0.00 N ATOM 0 H HIS A 36 0.953 2.468 7.154 1.00 0.00 H new ATOM 0 HA HIS A 36 3.062 0.532 6.424 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.549 1.002 9.024 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.756 -0.244 8.778 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.702 0.492 10.158 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.118 3.601 7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.246 2.486 10.478 1.00 0.00 H new ATOM 499 N TRP A 37 1.548 -1.357 5.947 1.00 0.00 N ATOM 500 CA TRP A 37 0.661 -2.455 5.578 1.00 0.00 C ATOM 501 C TRP A 37 1.132 -3.767 6.195 1.00 0.00 C ATOM 502 O TRP A 37 2.316 -4.100 6.137 1.00 0.00 O ATOM 503 CB TRP A 37 0.588 -2.589 4.057 1.00 0.00 C ATOM 504 CG TRP A 37 1.926 -2.495 3.387 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.828 -3.506 3.213 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.513 -1.326 2.805 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.940 -3.035 2.557 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.771 -1.701 2.296 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.097 0.000 2.663 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.615 -0.797 1.657 1.00 0.00 C ATOM 511 CZ3 TRP A 37 2.936 0.897 2.030 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.182 0.496 1.532 1.00 0.00 C ATOM 0 H TRP A 37 2.506 -1.458 5.612 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.333 -2.231 5.964 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.130 -3.546 3.805 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.064 -1.810 3.662 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.688 -4.525 3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.759 -3.589 2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.137 0.318 3.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.577 -1.104 1.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.625 1.925 1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.814 1.221 1.040 1.00 0.00 H new ATOM 523 N ILE A 38 0.200 -4.507 6.785 1.00 0.00 N ATOM 524 CA ILE A 38 0.521 -5.783 7.411 1.00 0.00 C ATOM 525 C ILE A 38 -0.077 -6.946 6.627 1.00 0.00 C ATOM 526 O ILE A 38 -1.268 -6.952 6.318 1.00 0.00 O ATOM 527 CB ILE A 38 0.012 -5.842 8.864 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.437 -7.155 9.524 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.502 -5.691 8.901 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.813 -7.099 10.150 1.00 0.00 C ATOM 0 H ILE A 38 -0.784 -4.245 6.843 1.00 0.00 H new ATOM 0 HA ILE A 38 1.608 -5.869 7.412 1.00 0.00 H new ATOM 0 HB ILE A 38 0.455 -5.017 9.422 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.291 -7.419 10.290 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.418 -7.950 8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.847 -5.735 9.934 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.783 -4.732 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.962 -6.498 8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.048 -8.064 10.599 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.552 -6.866 9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.832 -6.327 10.919 1.00 0.00 H new ATOM 542 N SER A 39 0.758 -7.931 6.310 1.00 0.00 N ATOM 543 CA SER A 39 0.313 -9.099 5.560 1.00 0.00 C ATOM 544 C SER A 39 0.672 -10.386 6.296 1.00 0.00 C ATOM 545 O SER A 39 1.733 -10.487 6.913 1.00 0.00 O ATOM 546 CB SER A 39 0.939 -9.105 4.164 1.00 0.00 C ATOM 547 OG SER A 39 0.090 -9.745 3.227 1.00 0.00 O ATOM 0 H SER A 39 1.747 -7.943 6.561 1.00 0.00 H new ATOM 0 HA SER A 39 -0.771 -9.046 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.132 -8.081 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.901 -9.616 4.196 1.00 0.00 H new ATOM 0 HG SER A 39 0.512 -9.734 2.343 1.00 0.00 H new ATOM 553 N ASP A 40 -0.219 -11.369 6.226 1.00 0.00 N ATOM 554 CA ASP A 40 0.002 -12.651 6.884 1.00 0.00 C ATOM 555 C ASP A 40 1.177 -13.390 6.252 1.00 0.00 C ATOM 556 O ASP A 40 1.634 -14.410 6.770 1.00 0.00 O ATOM 557 CB ASP A 40 -1.259 -13.512 6.808 1.00 0.00 C ATOM 558 CG ASP A 40 -1.363 -14.490 7.962 1.00 0.00 C ATOM 559 OD1 ASP A 40 -0.701 -15.547 7.905 1.00 0.00 O ATOM 560 OD2 ASP A 40 -2.107 -14.199 8.922 1.00 0.00 O ATOM 0 H ASP A 40 -1.102 -11.302 5.720 1.00 0.00 H new ATOM 0 HA ASP A 40 0.238 -12.459 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.137 -12.866 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.263 -14.063 5.867 1.00 0.00 H new ATOM 565 N ASP A 41 1.661 -12.871 5.129 1.00 0.00 N ATOM 566 CA ASP A 41 2.783 -13.482 4.425 1.00 0.00 C ATOM 567 C ASP A 41 3.212 -12.624 3.239 1.00 0.00 C ATOM 568 O ASP A 41 2.397 -12.279 2.384 1.00 0.00 O ATOM 569 CB ASP A 41 2.409 -14.886 3.947 1.00 0.00 C ATOM 570 CG ASP A 41 3.587 -15.839 3.972 1.00 0.00 C ATOM 571 OD1 ASP A 41 4.632 -15.506 3.376 1.00 0.00 O ATOM 572 OD2 ASP A 41 3.464 -16.918 4.589 1.00 0.00 O ATOM 0 H ASP A 41 1.294 -12.028 4.686 1.00 0.00 H new ATOM 0 HA ASP A 41 3.620 -13.555 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.612 -15.281 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.014 -14.828 2.933 1.00 0.00 H new ATOM 577 N GLU A 42 4.496 -12.283 3.195 1.00 0.00 N ATOM 578 CA GLU A 42 5.032 -11.463 2.115 1.00 0.00 C ATOM 579 C GLU A 42 6.341 -12.044 1.590 1.00 0.00 C ATOM 580 O GLU A 42 7.146 -11.339 0.980 1.00 0.00 O ATOM 581 CB GLU A 42 5.254 -10.028 2.595 1.00 0.00 C ATOM 582 CG GLU A 42 6.393 -9.889 3.592 1.00 0.00 C ATOM 583 CD GLU A 42 6.914 -8.468 3.688 1.00 0.00 C ATOM 584 OE1 GLU A 42 7.148 -7.849 2.629 1.00 0.00 O ATOM 585 OE2 GLU A 42 7.088 -7.976 4.822 1.00 0.00 O ATOM 0 H GLU A 42 5.184 -12.562 3.894 1.00 0.00 H new ATOM 0 HA GLU A 42 4.305 -11.457 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.457 -9.393 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.335 -9.660 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.052 -10.214 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.208 -10.552 3.302 1.00 0.00 H new ATOM 592 N PHE A 43 6.548 -13.335 1.831 1.00 0.00 N ATOM 593 CA PHE A 43 7.761 -14.011 1.385 1.00 0.00 C ATOM 594 C PHE A 43 7.674 -14.361 -0.098 1.00 0.00 C ATOM 595 O PHE A 43 8.663 -14.278 -0.825 1.00 0.00 O ATOM 596 CB PHE A 43 7.994 -15.280 2.207 1.00 0.00 C ATOM 597 CG PHE A 43 8.776 -15.042 3.467 1.00 0.00 C ATOM 598 CD1 PHE A 43 8.227 -14.319 4.513 1.00 0.00 C ATOM 599 CD2 PHE A 43 10.061 -15.542 3.606 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.943 -14.098 5.674 1.00 0.00 C ATOM 601 CE2 PHE A 43 10.782 -15.326 4.765 1.00 0.00 C ATOM 602 CZ PHE A 43 10.223 -14.602 5.800 1.00 0.00 C ATOM 0 H PHE A 43 5.892 -13.934 2.332 1.00 0.00 H new ATOM 0 HA PHE A 43 8.601 -13.332 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.030 -15.719 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.522 -16.009 1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.227 -13.923 4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.504 -16.107 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.503 -13.532 6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.782 -15.723 4.861 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.785 -14.430 6.706 1.00 0.00 H new ATOM 612 N SER A 44 6.482 -14.753 -0.538 1.00 0.00 N ATOM 613 CA SER A 44 6.266 -15.120 -1.933 1.00 0.00 C ATOM 614 C SER A 44 6.184 -13.878 -2.815 1.00 0.00 C ATOM 615 O SER A 44 6.774 -13.831 -3.895 1.00 0.00 O ATOM 616 CB SER A 44 4.984 -15.944 -2.072 1.00 0.00 C ATOM 617 OG SER A 44 5.171 -17.264 -1.592 1.00 0.00 O ATOM 0 H SER A 44 5.652 -14.825 0.051 1.00 0.00 H new ATOM 0 HA SER A 44 7.114 -15.721 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.177 -15.463 -1.518 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.679 -15.974 -3.118 1.00 0.00 H new ATOM 0 HG SER A 44 4.337 -17.769 -1.690 1.00 0.00 H new ATOM 623 N ILE A 45 5.449 -12.875 -2.347 1.00 0.00 N ATOM 624 CA ILE A 45 5.291 -11.632 -3.092 1.00 0.00 C ATOM 625 C ILE A 45 6.642 -11.076 -3.528 1.00 0.00 C ATOM 626 O ILE A 45 7.515 -10.820 -2.699 1.00 0.00 O ATOM 627 CB ILE A 45 4.554 -10.567 -2.260 1.00 0.00 C ATOM 628 CG1 ILE A 45 3.194 -11.097 -1.801 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.385 -9.288 -3.066 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.473 -10.168 -0.849 1.00 0.00 C ATOM 0 H ILE A 45 4.954 -12.899 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 45 4.696 -11.867 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 45 5.151 -10.341 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.566 -11.267 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.334 -12.063 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.862 -8.545 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.365 -8.903 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.806 -9.499 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.517 -10.608 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.081 -10.017 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.301 -9.209 -1.337 1.00 0.00 H new ATOM 642 N SER A 46 6.806 -10.890 -4.833 1.00 0.00 N ATOM 643 CA SER A 46 8.053 -10.366 -5.380 1.00 0.00 C ATOM 644 C SER A 46 8.222 -8.891 -5.028 1.00 0.00 C ATOM 645 O SER A 46 9.333 -8.426 -4.774 1.00 0.00 O ATOM 646 CB SER A 46 8.084 -10.546 -6.899 1.00 0.00 C ATOM 647 OG SER A 46 8.661 -11.791 -7.253 1.00 0.00 O ATOM 0 H SER A 46 6.092 -11.094 -5.532 1.00 0.00 H new ATOM 0 HA SER A 46 8.878 -10.925 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.071 -10.485 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.654 -9.735 -7.353 1.00 0.00 H new ATOM 0 HG SER A 46 8.668 -11.883 -8.229 1.00 0.00 H new ATOM 653 N SER A 47 7.112 -8.161 -5.015 1.00 0.00 N ATOM 654 CA SER A 47 7.136 -6.738 -4.698 1.00 0.00 C ATOM 655 C SER A 47 5.738 -6.233 -4.353 1.00 0.00 C ATOM 656 O SER A 47 4.742 -6.908 -4.612 1.00 0.00 O ATOM 657 CB SER A 47 7.702 -5.941 -5.875 1.00 0.00 C ATOM 658 OG SER A 47 7.014 -6.247 -7.075 1.00 0.00 O ATOM 0 H SER A 47 6.184 -8.532 -5.220 1.00 0.00 H new ATOM 0 HA SER A 47 7.779 -6.596 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.622 -4.874 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.762 -6.164 -5.993 1.00 0.00 H new ATOM 0 HG SER A 47 7.393 -5.724 -7.812 1.00 0.00 H new ATOM 664 N TYR A 48 5.674 -5.043 -3.767 1.00 0.00 N ATOM 665 CA TYR A 48 4.399 -4.448 -3.384 1.00 0.00 C ATOM 666 C TYR A 48 4.087 -3.227 -4.243 1.00 0.00 C ATOM 667 O TYR A 48 4.931 -2.762 -5.009 1.00 0.00 O ATOM 668 CB TYR A 48 4.420 -4.054 -1.906 1.00 0.00 C ATOM 669 CG TYR A 48 3.831 -5.103 -0.990 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.458 -5.312 -0.934 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.646 -5.885 -0.181 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.915 -6.269 -0.098 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.112 -6.845 0.656 1.00 0.00 C ATOM 674 CZ TYR A 48 2.746 -7.033 0.694 1.00 0.00 C ATOM 675 OH TYR A 48 2.210 -7.987 1.528 1.00 0.00 O ATOM 0 H TYR A 48 6.490 -4.471 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 48 3.618 -5.191 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.449 -3.858 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.868 -3.122 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.805 -4.716 -1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.716 -5.740 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.846 -6.418 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.760 -7.445 1.277 1.00 0.00 H new ATOM 0 HH TYR A 48 1.381 -8.334 1.138 1.00 0.00 H new ATOM 685 N GLU A 49 2.868 -2.713 -4.110 1.00 0.00 N ATOM 686 CA GLU A 49 2.444 -1.546 -4.874 1.00 0.00 C ATOM 687 C GLU A 49 1.873 -0.471 -3.954 1.00 0.00 C ATOM 688 O GLU A 49 1.238 -0.776 -2.943 1.00 0.00 O ATOM 689 CB GLU A 49 1.401 -1.945 -5.920 1.00 0.00 C ATOM 690 CG GLU A 49 0.499 -0.800 -6.347 1.00 0.00 C ATOM 691 CD GLU A 49 -0.771 -0.720 -5.522 1.00 0.00 C ATOM 692 OE1 GLU A 49 -0.677 -0.403 -4.318 1.00 0.00 O ATOM 693 OE2 GLU A 49 -1.859 -0.973 -6.081 1.00 0.00 O ATOM 0 H GLU A 49 2.157 -3.086 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 49 3.319 -1.138 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.912 -2.341 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.786 -2.751 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.045 0.140 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.238 -0.920 -7.398 1.00 0.00 H new ATOM 700 N LEU A 50 2.102 0.788 -4.310 1.00 0.00 N ATOM 701 CA LEU A 50 1.611 1.909 -3.517 1.00 0.00 C ATOM 702 C LEU A 50 0.887 2.923 -4.398 1.00 0.00 C ATOM 703 O LEU A 50 1.476 3.493 -5.316 1.00 0.00 O ATOM 704 CB LEU A 50 2.770 2.588 -2.785 1.00 0.00 C ATOM 705 CG LEU A 50 2.384 3.667 -1.772 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.889 3.033 -0.481 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.564 4.588 -1.498 1.00 0.00 C ATOM 0 H LEU A 50 2.625 1.058 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 50 0.904 1.521 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.346 1.821 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.431 3.035 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 50 1.575 4.263 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.619 3.815 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.015 2.416 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.678 2.413 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.271 5.349 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.394 4.006 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.873 5.069 -2.426 1.00 0.00 H new ATOM 719 N GLN A 51 -0.391 3.144 -4.109 1.00 0.00 N ATOM 720 CA GLN A 51 -1.194 4.091 -4.873 1.00 0.00 C ATOM 721 C GLN A 51 -1.773 5.171 -3.966 1.00 0.00 C ATOM 722 O GLN A 51 -2.273 4.881 -2.879 1.00 0.00 O ATOM 723 CB GLN A 51 -2.323 3.361 -5.603 1.00 0.00 C ATOM 724 CG GLN A 51 -1.876 2.082 -6.291 1.00 0.00 C ATOM 725 CD GLN A 51 -2.685 1.776 -7.536 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.558 2.550 -7.929 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.399 0.642 -8.165 1.00 0.00 N ATOM 0 H GLN A 51 -0.893 2.680 -3.352 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.546 4.569 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.112 3.123 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.757 4.031 -6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.823 2.167 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.962 1.249 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.667 0.029 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.911 0.384 -9.009 1.00 0.00 H new ATOM 736 N TYR A 52 -1.702 6.418 -4.419 1.00 0.00 N ATOM 737 CA TYR A 52 -2.217 7.542 -3.647 1.00 0.00 C ATOM 738 C TYR A 52 -2.693 8.663 -4.567 1.00 0.00 C ATOM 739 O TYR A 52 -2.113 8.902 -5.627 1.00 0.00 O ATOM 740 CB TYR A 52 -1.142 8.070 -2.696 1.00 0.00 C ATOM 741 CG TYR A 52 0.130 8.493 -3.396 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.938 7.561 -4.035 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.523 9.826 -3.419 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.102 7.944 -4.674 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.684 10.218 -4.057 1.00 0.00 C ATOM 746 CZ TYR A 52 2.470 9.273 -4.683 1.00 0.00 C ATOM 747 OH TYR A 52 3.627 9.658 -5.320 1.00 0.00 O ATOM 0 H TYR A 52 -1.293 6.676 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.068 7.189 -3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.543 8.920 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.905 7.298 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.652 6.520 -4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.090 10.568 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.720 7.206 -5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.974 11.258 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 52 3.740 10.628 -5.234 1.00 0.00 H new ATOM 757 N THR A 53 -3.754 9.349 -4.153 1.00 0.00 N ATOM 758 CA THR A 53 -4.310 10.444 -4.939 1.00 0.00 C ATOM 759 C THR A 53 -5.078 11.420 -4.055 1.00 0.00 C ATOM 760 O THR A 53 -5.614 11.038 -3.014 1.00 0.00 O ATOM 761 CB THR A 53 -5.247 9.923 -6.044 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.760 11.020 -6.809 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.401 9.132 -5.447 1.00 0.00 C ATOM 0 H THR A 53 -4.245 9.166 -3.278 1.00 0.00 H new ATOM 0 HA THR A 53 -3.469 10.961 -5.401 1.00 0.00 H new ATOM 0 HB THR A 53 -4.673 9.263 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.354 10.680 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.049 8.774 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.009 8.281 -4.890 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.973 9.773 -4.776 1.00 0.00 H new ATOM 771 N ILE A 54 -5.127 12.679 -4.475 1.00 0.00 N ATOM 772 CA ILE A 54 -5.832 13.709 -3.722 1.00 0.00 C ATOM 773 C ILE A 54 -7.340 13.491 -3.771 1.00 0.00 C ATOM 774 O ILE A 54 -7.949 13.528 -4.841 1.00 0.00 O ATOM 775 CB ILE A 54 -5.510 15.117 -4.256 1.00 0.00 C ATOM 776 CG1 ILE A 54 -4.026 15.434 -4.060 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.376 16.157 -3.562 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.486 16.437 -5.055 1.00 0.00 C ATOM 0 H ILE A 54 -4.687 13.011 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.490 13.634 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.729 15.144 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.875 15.818 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.452 14.511 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.137 17.147 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.427 15.938 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.185 16.132 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.429 16.614 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.605 16.047 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.034 17.374 -4.961 1.00 0.00 H new ATOM 790 N PHE A 55 -7.938 13.264 -2.606 1.00 0.00 N ATOM 791 CA PHE A 55 -9.376 13.041 -2.516 1.00 0.00 C ATOM 792 C PHE A 55 -10.102 14.324 -2.120 1.00 0.00 C ATOM 793 O PHE A 55 -10.051 14.749 -0.965 1.00 0.00 O ATOM 794 CB PHE A 55 -9.680 11.936 -1.502 1.00 0.00 C ATOM 795 CG PHE A 55 -11.147 11.753 -1.237 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.798 12.537 -0.298 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.874 10.796 -1.926 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.148 12.369 -0.051 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.224 10.624 -1.684 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.862 11.412 -0.746 1.00 0.00 C ATOM 0 H PHE A 55 -7.449 13.230 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.732 12.731 -3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.265 10.996 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.175 12.166 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.245 13.288 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.380 10.177 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.644 12.985 0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.779 9.874 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.917 11.280 -0.556 1.00 0.00 H new ATOM 1050 N MET A 72 -1.808 7.079 -9.473 1.00 0.00 N ATOM 1051 CA MET A 72 -0.355 6.964 -9.431 1.00 0.00 C ATOM 1052 C MET A 72 0.070 5.726 -8.647 1.00 0.00 C ATOM 1053 O MET A 72 -0.538 5.384 -7.632 1.00 0.00 O ATOM 1054 CB MET A 72 0.259 8.216 -8.801 1.00 0.00 C ATOM 1055 CG MET A 72 0.158 8.246 -7.285 1.00 0.00 C ATOM 1056 SD MET A 72 0.286 9.914 -6.613 1.00 0.00 S ATOM 1057 CE MET A 72 -1.127 10.699 -7.384 1.00 0.00 C ATOM 0 HA MET A 72 0.006 6.866 -10.455 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.309 8.280 -9.088 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.237 9.098 -9.207 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.792 7.807 -6.979 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.947 7.626 -6.860 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.646 11.315 -6.650 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.790 11.325 -8.210 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.806 9.935 -7.762 1.00 0.00 H new ATOM 1067 N ILE A 73 1.115 5.059 -9.124 1.00 0.00 N ATOM 1068 CA ILE A 73 1.620 3.860 -8.467 1.00 0.00 C ATOM 1069 C ILE A 73 3.144 3.867 -8.406 1.00 0.00 C ATOM 1070 O ILE A 73 3.807 4.472 -9.249 1.00 0.00 O ATOM 1071 CB ILE A 73 1.152 2.583 -9.189 1.00 0.00 C ATOM 1072 CG1 ILE A 73 -0.375 2.554 -9.281 1.00 0.00 C ATOM 1073 CG2 ILE A 73 1.669 1.347 -8.467 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.922 3.290 -10.484 1.00 0.00 C ATOM 0 H ILE A 73 1.629 5.328 -9.963 1.00 0.00 H new ATOM 0 HA ILE A 73 1.218 3.862 -7.454 1.00 0.00 H new ATOM 0 HB ILE A 73 1.558 2.585 -10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.709 1.517 -9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.794 2.993 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.330 0.452 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.759 1.366 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.289 1.337 -7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.010 3.228 -10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.618 4.336 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.532 2.837 -11.396 1.00 0.00 H new ATOM 1086 N VAL A 74 3.694 3.188 -7.405 1.00 0.00 N ATOM 1087 CA VAL A 74 5.140 3.112 -7.235 1.00 0.00 C ATOM 1088 C VAL A 74 5.596 1.671 -7.040 1.00 0.00 C ATOM 1089 O VAL A 74 5.638 1.153 -5.923 1.00 0.00 O ATOM 1090 CB VAL A 74 5.609 3.955 -6.034 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.097 3.755 -5.790 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.290 5.426 -6.259 1.00 0.00 C ATOM 0 H VAL A 74 3.160 2.682 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 74 5.587 3.511 -8.146 1.00 0.00 H new ATOM 0 HB VAL A 74 5.072 3.622 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.410 4.358 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.293 2.703 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.655 4.060 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.628 6.007 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.799 5.775 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.214 5.551 -6.380 1.00 0.00 H new ATOM 1102 N PRO A 75 5.948 1.006 -8.150 1.00 0.00 N ATOM 1103 CA PRO A 75 6.409 -0.386 -8.127 1.00 0.00 C ATOM 1104 C PRO A 75 7.785 -0.530 -7.487 1.00 0.00 C ATOM 1105 O PRO A 75 8.369 0.448 -7.022 1.00 0.00 O ATOM 1106 CB PRO A 75 6.466 -0.765 -9.609 1.00 0.00 C ATOM 1107 CG PRO A 75 6.656 0.528 -10.324 1.00 0.00 C ATOM 1108 CD PRO A 75 5.923 1.561 -9.514 1.00 0.00 C ATOM 0 HA PRO A 75 5.752 -1.023 -7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.287 -1.453 -9.810 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.549 -1.262 -9.926 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.714 0.776 -10.407 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.260 0.475 -11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.415 2.532 -9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.903 1.703 -9.872 1.00 0.00 H new ATOM 1116 N ASN A 76 8.298 -1.756 -7.467 1.00 0.00 N ATOM 1117 CA ASN A 76 9.607 -2.027 -6.884 1.00 0.00 C ATOM 1118 C ASN A 76 9.608 -1.730 -5.387 1.00 0.00 C ATOM 1119 O ASN A 76 10.521 -1.085 -4.873 1.00 0.00 O ATOM 1120 CB ASN A 76 10.683 -1.192 -7.581 1.00 0.00 C ATOM 1121 CG ASN A 76 10.819 -1.536 -9.052 1.00 0.00 C ATOM 1122 OD1 ASN A 76 10.907 -2.708 -9.421 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.837 -0.514 -9.899 1.00 0.00 N ATOM 0 H ASN A 76 7.827 -2.577 -7.848 1.00 0.00 H new ATOM 0 HA ASN A 76 9.828 -3.085 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.441 -0.134 -7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.640 -1.349 -7.084 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.927 -0.683 -10.901 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.761 0.441 -9.548 1.00 0.00 H new ATOM 1130 N ILE A 77 8.579 -2.207 -4.695 1.00 0.00 N ATOM 1131 CA ILE A 77 8.462 -1.994 -3.258 1.00 0.00 C ATOM 1132 C ILE A 77 8.697 -3.290 -2.489 1.00 0.00 C ATOM 1133 O ILE A 77 8.054 -4.307 -2.752 1.00 0.00 O ATOM 1134 CB ILE A 77 7.078 -1.432 -2.883 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.764 -0.189 -3.718 1.00 0.00 C ATOM 1136 CG2 ILE A 77 7.023 -1.106 -1.398 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.388 0.382 -3.459 1.00 0.00 C ATOM 0 H ILE A 77 7.815 -2.743 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 77 9.227 -1.267 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 77 6.325 -2.190 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.511 0.577 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.851 -0.440 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.039 -0.710 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.207 -2.011 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.784 -0.363 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.235 1.261 -4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.633 -0.368 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.303 0.665 -2.410 1.00 0.00 H new ATOM 1149 N LYS A 78 9.621 -3.247 -1.536 1.00 0.00 N ATOM 1150 CA LYS A 78 9.941 -4.416 -0.726 1.00 0.00 C ATOM 1151 C LYS A 78 10.043 -4.044 0.750 1.00 0.00 C ATOM 1152 O LYS A 78 10.926 -4.523 1.460 1.00 0.00 O ATOM 1153 CB LYS A 78 11.254 -5.045 -1.196 1.00 0.00 C ATOM 1154 CG LYS A 78 11.248 -5.443 -2.662 1.00 0.00 C ATOM 1155 CD LYS A 78 11.839 -4.351 -3.538 1.00 0.00 C ATOM 1156 CE LYS A 78 12.046 -4.834 -4.966 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.780 -3.834 -5.788 1.00 0.00 N ATOM 0 H LYS A 78 10.162 -2.414 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 78 9.135 -5.141 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.067 -4.340 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.462 -5.927 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.817 -6.363 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.226 -5.652 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.177 -3.485 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.792 -4.024 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.600 -5.773 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.078 -5.040 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.827 -4.162 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.283 -2.921 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.744 -3.719 -5.415 1.00 0.00 H new ATOM 1171 N GLN A 79 9.133 -3.187 1.204 1.00 0.00 N ATOM 1172 CA GLN A 79 9.122 -2.752 2.596 1.00 0.00 C ATOM 1173 C GLN A 79 7.705 -2.770 3.160 1.00 0.00 C ATOM 1174 O GLN A 79 6.732 -2.875 2.415 1.00 0.00 O ATOM 1175 CB GLN A 79 9.715 -1.347 2.718 1.00 0.00 C ATOM 1176 CG GLN A 79 8.936 -0.290 1.952 1.00 0.00 C ATOM 1177 CD GLN A 79 9.788 0.909 1.583 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.946 1.011 1.988 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.217 1.825 0.808 1.00 0.00 N ATOM 0 H GLN A 79 8.395 -2.781 0.629 1.00 0.00 H new ATOM 0 HA GLN A 79 9.732 -3.447 3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.752 -1.067 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.743 -1.363 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.526 -0.733 1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.091 0.041 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.254 1.700 0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.741 2.653 0.526 1.00 0.00 H new ATOM 1188 N ASN A 80 7.598 -2.666 4.481 1.00 0.00 N ATOM 1189 CA ASN A 80 6.300 -2.671 5.145 1.00 0.00 C ATOM 1190 C ASN A 80 5.789 -1.249 5.353 1.00 0.00 C ATOM 1191 O ASN A 80 4.836 -1.022 6.098 1.00 0.00 O ATOM 1192 CB ASN A 80 6.395 -3.393 6.491 1.00 0.00 C ATOM 1193 CG ASN A 80 6.895 -4.817 6.350 1.00 0.00 C ATOM 1194 OD1 ASN A 80 8.083 -5.050 6.124 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.989 -5.778 6.481 1.00 0.00 N ATOM 0 H ASN A 80 8.394 -2.577 5.112 1.00 0.00 H new ATOM 0 HA ASN A 80 5.595 -3.201 4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.064 -2.840 7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.414 -3.401 6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.267 -6.756 6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.015 -5.539 6.668 1.00 0.00 H new ATOM 1202 N HIS A 81 6.431 -0.293 4.688 1.00 0.00 N ATOM 1203 CA HIS A 81 6.041 1.108 4.798 1.00 0.00 C ATOM 1204 C HIS A 81 6.797 1.964 3.786 1.00 0.00 C ATOM 1205 O HIS A 81 8.028 1.963 3.754 1.00 0.00 O ATOM 1206 CB HIS A 81 6.303 1.622 6.214 1.00 0.00 C ATOM 1207 CG HIS A 81 7.579 1.112 6.811 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.614 0.224 7.865 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.869 1.368 6.493 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.871 -0.042 8.171 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.653 0.639 7.353 1.00 0.00 N ATOM 0 H HIS A 81 7.223 -0.463 4.068 1.00 0.00 H new ATOM 0 HA HIS A 81 4.975 1.180 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.330 2.712 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.471 1.334 6.856 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.217 2.024 5.709 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.203 -0.704 8.957 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.673 0.626 7.359 1.00 0.00 H new ATOM 1220 N TYR A 82 6.053 2.691 2.961 1.00 0.00 N ATOM 1221 CA TYR A 82 6.652 3.549 1.945 1.00 0.00 C ATOM 1222 C TYR A 82 6.330 5.016 2.211 1.00 0.00 C ATOM 1223 O TYR A 82 5.173 5.432 2.143 1.00 0.00 O ATOM 1224 CB TYR A 82 6.158 3.150 0.554 1.00 0.00 C ATOM 1225 CG TYR A 82 6.710 4.015 -0.556 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.238 5.307 -0.756 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.702 3.541 -1.405 1.00 0.00 C ATOM 1228 CE1 TYR A 82 6.739 6.101 -1.770 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.210 4.328 -2.420 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.725 5.607 -2.599 1.00 0.00 C ATOM 1231 OH TYR A 82 8.227 6.395 -3.610 1.00 0.00 O ATOM 0 H TYR A 82 5.033 2.704 2.975 1.00 0.00 H new ATOM 0 HA TYR A 82 7.733 3.420 1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.432 2.112 0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.069 3.201 0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.467 5.697 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.083 2.540 -1.269 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.361 7.103 -1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.983 3.944 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 82 8.915 5.899 -4.101 1.00 0.00 H new ATOM 1241 N THR A 83 7.362 5.797 2.514 1.00 0.00 N ATOM 1242 CA THR A 83 7.190 7.217 2.791 1.00 0.00 C ATOM 1243 C THR A 83 6.992 8.008 1.503 1.00 0.00 C ATOM 1244 O THR A 83 7.901 8.111 0.679 1.00 0.00 O ATOM 1245 CB THR A 83 8.400 7.792 3.551 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.732 6.944 4.657 1.00 0.00 O ATOM 1247 CG2 THR A 83 8.107 9.197 4.053 1.00 0.00 C ATOM 0 H THR A 83 8.326 5.469 2.574 1.00 0.00 H new ATOM 0 HA THR A 83 6.300 7.312 3.414 1.00 0.00 H new ATOM 0 HB THR A 83 9.244 7.839 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.503 7.315 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.976 9.581 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.884 9.847 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.250 9.171 4.726 1.00 0.00 H new ATOM 1255 N VAL A 84 5.797 8.567 1.335 1.00 0.00 N ATOM 1256 CA VAL A 84 5.480 9.351 0.148 1.00 0.00 C ATOM 1257 C VAL A 84 5.942 10.796 0.303 1.00 0.00 C ATOM 1258 O VAL A 84 5.681 11.436 1.322 1.00 0.00 O ATOM 1259 CB VAL A 84 3.968 9.336 -0.147 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.651 10.204 -1.356 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.481 7.911 -0.361 1.00 0.00 C ATOM 0 H VAL A 84 5.033 8.491 2.006 1.00 0.00 H new ATOM 0 HA VAL A 84 6.010 8.891 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 84 3.443 9.749 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.578 10.181 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.962 11.230 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.185 9.824 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.411 7.919 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.010 7.468 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.672 7.323 0.536 1.00 0.00 H new ATOM 1271 N HIS A 85 6.631 11.304 -0.714 1.00 0.00 N ATOM 1272 CA HIS A 85 7.129 12.674 -0.692 1.00 0.00 C ATOM 1273 C HIS A 85 6.582 13.471 -1.873 1.00 0.00 C ATOM 1274 O HIS A 85 6.648 13.026 -3.018 1.00 0.00 O ATOM 1275 CB HIS A 85 8.658 12.684 -0.719 1.00 0.00 C ATOM 1276 CG HIS A 85 9.282 12.373 0.607 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.292 13.132 1.160 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.034 11.379 1.491 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.638 12.618 2.326 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.890 11.553 2.551 1.00 0.00 N ATOM 0 H HIS A 85 6.857 10.787 -1.564 1.00 0.00 H new ATOM 0 HA HIS A 85 6.786 13.144 0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.005 11.958 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.001 13.664 -1.052 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.707 13.961 0.735 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.299 10.595 1.383 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.403 13.003 2.984 1.00 0.00 H new ATOM 1289 N GLY A 86 6.042 14.651 -1.585 1.00 0.00 N ATOM 1290 CA GLY A 86 5.492 15.490 -2.633 1.00 0.00 C ATOM 1291 C GLY A 86 3.985 15.629 -2.533 1.00 0.00 C ATOM 1292 O GLY A 86 3.269 15.424 -3.513 1.00 0.00 O ATOM 0 H GLY A 86 5.976 15.041 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.949 16.478 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.751 15.070 -3.605 1.00 0.00 H new ATOM 1296 N LEU A 87 3.503 15.978 -1.345 1.00 0.00 N ATOM 1297 CA LEU A 87 2.071 16.143 -1.120 1.00 0.00 C ATOM 1298 C LEU A 87 1.750 17.569 -0.683 1.00 0.00 C ATOM 1299 O LEU A 87 2.630 18.428 -0.641 1.00 0.00 O ATOM 1300 CB LEU A 87 1.584 15.152 -0.061 1.00 0.00 C ATOM 1301 CG LEU A 87 1.817 13.672 -0.370 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.737 12.843 0.902 1.00 0.00 C ATOM 1303 CD2 LEU A 87 0.810 13.177 -1.397 1.00 0.00 C ATOM 0 H LEU A 87 4.082 16.152 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 87 1.555 15.945 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.077 15.388 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.516 15.307 0.090 1.00 0.00 H new ATOM 0 HG LEU A 87 2.817 13.560 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.905 11.793 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.498 13.181 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.751 12.959 1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.991 12.122 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.200 13.302 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.916 13.751 -2.317 1.00 0.00 H new ATOM 1315 N GLN A 88 0.484 17.812 -0.359 1.00 0.00 N ATOM 1316 CA GLN A 88 0.047 19.133 0.076 1.00 0.00 C ATOM 1317 C GLN A 88 -0.385 19.110 1.538 1.00 0.00 C ATOM 1318 O GLN A 88 -1.040 18.169 1.987 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.104 19.627 -0.801 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.737 19.757 -2.271 1.00 0.00 C ATOM 1321 CD GLN A 88 -1.954 19.839 -3.171 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -2.900 20.576 -2.891 1.00 0.00 O ATOM 1323 NE2 GLN A 88 -1.937 19.079 -4.260 1.00 0.00 N ATOM 0 H GLN A 88 -0.257 17.111 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 88 0.890 19.817 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.944 18.939 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.441 20.596 -0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.125 20.648 -2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.128 18.903 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.132 18.483 -4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.729 19.091 -4.903 1.00 0.00 H new ATOM 1332 N SER A 89 -0.015 20.151 2.277 1.00 0.00 N ATOM 1333 CA SER A 89 -0.361 20.248 3.690 1.00 0.00 C ATOM 1334 C SER A 89 -1.873 20.324 3.874 1.00 0.00 C ATOM 1335 O SER A 89 -2.586 20.875 3.037 1.00 0.00 O ATOM 1336 CB SER A 89 0.303 21.476 4.316 1.00 0.00 C ATOM 1337 OG SER A 89 0.150 22.616 3.489 1.00 0.00 O ATOM 0 H SER A 89 0.525 20.940 1.920 1.00 0.00 H new ATOM 0 HA SER A 89 0.004 19.352 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.136 21.671 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.363 21.278 4.476 1.00 0.00 H new ATOM 0 HG SER A 89 0.581 23.387 3.912 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.357 19.764 4.980 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.782 19.778 5.256 1.00 0.00 C ATOM 1345 C GLY A 90 -4.609 19.359 4.056 1.00 0.00 C ATOM 1346 O GLY A 90 -5.501 20.088 3.621 1.00 0.00 O ATOM 0 H GLY A 90 -1.788 19.301 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.994 19.110 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.079 20.780 5.566 1.00 0.00 H new ATOM 1350 N THR A 91 -4.313 18.180 3.518 1.00 0.00 N ATOM 1351 CA THR A 91 -5.033 17.666 2.360 1.00 0.00 C ATOM 1352 C THR A 91 -5.268 16.165 2.481 1.00 0.00 C ATOM 1353 O THR A 91 -4.400 15.427 2.949 1.00 0.00 O ATOM 1354 CB THR A 91 -4.271 17.952 1.052 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.129 19.364 0.867 1.00 0.00 O ATOM 1356 CG2 THR A 91 -4.999 17.350 -0.140 1.00 0.00 C ATOM 0 H THR A 91 -3.579 17.563 3.866 1.00 0.00 H new ATOM 0 HA THR A 91 -5.994 18.180 2.331 1.00 0.00 H new ATOM 0 HB THR A 91 -3.284 17.495 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.596 19.738 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.443 17.565 -1.052 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.080 16.271 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.997 17.783 -0.213 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.445 15.718 2.055 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.793 14.304 2.116 1.00 0.00 C ATOM 1366 C ARG A 92 -6.013 13.506 1.076 1.00 0.00 C ATOM 1367 O ARG A 92 -5.586 14.048 0.056 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.295 14.117 1.897 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.152 14.714 3.001 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.442 13.932 3.190 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.339 14.579 4.144 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.283 13.933 4.820 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.451 12.629 4.648 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.060 14.591 5.670 1.00 0.00 N ATOM 0 H ARG A 92 -7.174 16.315 1.664 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.528 13.933 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.574 14.572 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.512 13.052 1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.590 14.722 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.386 15.751 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.947 13.829 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.208 12.926 3.537 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.235 15.582 4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.855 12.120 3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.176 12.135 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.933 15.594 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.784 14.094 6.188 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.829 12.218 1.341 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.098 11.346 0.429 1.00 0.00 C ATOM 1390 C TYR A 93 -5.490 9.887 0.638 1.00 0.00 C ATOM 1391 O TYR A 93 -5.308 9.332 1.722 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.590 11.514 0.629 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.999 12.661 -0.160 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.989 13.951 0.355 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.451 12.454 -1.419 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.450 15.002 -0.362 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.909 13.498 -2.143 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.911 14.770 -1.610 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.373 15.814 -2.328 1.00 0.00 O ATOM 0 H TYR A 93 -6.176 11.754 2.180 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.357 11.630 -0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.388 11.670 1.689 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.089 10.590 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.410 14.136 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.449 11.459 -1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.451 15.999 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.486 13.319 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.035 15.481 -3.186 1.00 0.00 H new ATOM 1409 N ILE A 94 -6.030 9.271 -0.408 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.447 7.876 -0.342 1.00 0.00 C ATOM 1411 C ILE A 94 -5.322 6.944 -0.780 1.00 0.00 C ATOM 1412 O ILE A 94 -4.888 6.977 -1.931 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.686 7.616 -1.219 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.895 8.375 -0.670 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.978 6.125 -1.294 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -10.150 8.188 -1.494 1.00 0.00 C ATOM 0 H ILE A 94 -6.189 9.716 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.700 7.672 0.698 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.482 7.977 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.088 8.046 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.656 9.437 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.856 5.957 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.122 5.608 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.165 5.740 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.967 8.754 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.975 8.544 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.414 7.131 -1.521 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.856 6.112 0.146 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.782 5.170 -0.145 1.00 0.00 C ATOM 1430 C PHE A 95 -4.340 3.775 -0.413 1.00 0.00 C ATOM 1431 O PHE A 95 -5.253 3.318 0.274 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.790 5.119 1.019 1.00 0.00 C ATOM 1433 CG PHE A 95 -1.937 6.350 1.133 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.409 7.479 1.783 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.663 6.378 0.590 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.626 8.613 1.891 1.00 0.00 C ATOM 1437 CE2 PHE A 95 0.125 7.509 0.694 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.358 8.628 1.344 1.00 0.00 C ATOM 0 H PHE A 95 -5.205 6.071 1.103 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.264 5.514 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.341 4.981 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.144 4.249 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.401 7.473 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.281 5.506 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.005 9.486 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.117 7.518 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.255 9.513 1.424 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.785 3.106 -1.418 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.226 1.763 -1.777 1.00 0.00 C ATOM 1450 C ILE A 96 -3.040 0.867 -2.116 1.00 0.00 C ATOM 1451 O ILE A 96 -2.443 0.987 -3.186 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.193 1.791 -2.975 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.573 2.282 -2.534 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.294 0.410 -3.606 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.492 2.621 -3.687 1.00 0.00 C ATOM 0 H ILE A 96 -3.030 3.471 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.747 1.359 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.803 2.483 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.043 1.515 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.452 3.164 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.981 0.446 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.309 0.095 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.664 -0.301 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.452 2.962 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.043 3.410 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.644 1.735 -4.304 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.704 -0.033 -1.197 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.590 -0.952 -1.399 1.00 0.00 C ATOM 1469 C VAL A 97 -2.049 -2.224 -2.104 1.00 0.00 C ATOM 1470 O VAL A 97 -3.117 -2.760 -1.808 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.925 -1.331 -0.062 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.113 -2.422 -0.273 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.299 -0.106 0.587 1.00 0.00 C ATOM 0 H VAL A 97 -3.187 -0.145 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.862 -0.435 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.692 -1.717 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.572 -2.677 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.368 -3.306 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.880 -2.066 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.166 -0.392 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.456 0.312 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.071 0.641 0.775 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.234 -2.703 -3.038 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.554 -3.913 -3.785 1.00 0.00 C ATOM 1485 C LYS A 98 -0.359 -4.860 -3.824 1.00 0.00 C ATOM 1486 O LYS A 98 0.755 -4.456 -4.156 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.983 -3.559 -5.211 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.322 -4.770 -6.063 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.933 -4.362 -7.393 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.909 -3.688 -8.294 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.180 -4.674 -9.139 1.00 0.00 N ATOM 0 H LYS A 98 -0.347 -2.271 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.378 -4.415 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.851 -2.901 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.182 -2.998 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.420 -5.355 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.018 -5.412 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.337 -5.242 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.768 -3.683 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.410 -2.962 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.195 -3.135 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.362 -4.212 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.852 -5.463 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.817 -5.036 -9.877 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.599 -6.123 -3.484 1.00 0.00 N ATOM 1506 CA ALA A 99 0.457 -7.127 -3.483 1.00 0.00 C ATOM 1507 C ALA A 99 0.522 -7.856 -4.821 1.00 0.00 C ATOM 1508 O ALA A 99 -0.497 -8.309 -5.342 1.00 0.00 O ATOM 1509 CB ALA A 99 0.241 -8.120 -2.350 1.00 0.00 C ATOM 0 H ALA A 99 -1.515 -6.474 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 99 1.408 -6.617 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.037 -8.864 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.252 -7.592 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.721 -8.616 -2.479 1.00 0.00 H new ATOM 1515 N ILE A 100 1.726 -7.964 -5.373 1.00 0.00 N ATOM 1516 CA ILE A 100 1.923 -8.638 -6.650 1.00 0.00 C ATOM 1517 C ILE A 100 2.878 -9.819 -6.507 1.00 0.00 C ATOM 1518 O ILE A 100 3.866 -9.747 -5.778 1.00 0.00 O ATOM 1519 CB ILE A 100 2.475 -7.674 -7.716 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.556 -6.459 -7.860 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.627 -8.390 -9.050 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.913 -5.318 -6.933 1.00 0.00 C ATOM 0 H ILE A 100 2.580 -7.593 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 100 0.946 -9.000 -6.969 1.00 0.00 H new ATOM 0 HB ILE A 100 3.458 -7.328 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.594 -6.105 -8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.528 -6.766 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.018 -7.695 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.316 -9.227 -8.937 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.656 -8.761 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.220 -4.491 -7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.847 -5.655 -5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.929 -4.984 -7.142 1.00 0.00 H new ATOM 1534 N ASN A 101 2.575 -10.906 -7.210 1.00 0.00 N ATOM 1535 CA ASN A 101 3.406 -12.103 -7.162 1.00 0.00 C ATOM 1536 C ASN A 101 3.288 -12.899 -8.458 1.00 0.00 C ATOM 1537 O ASN A 101 2.561 -12.511 -9.372 1.00 0.00 O ATOM 1538 CB ASN A 101 3.008 -12.980 -5.974 1.00 0.00 C ATOM 1539 CG ASN A 101 1.568 -13.448 -6.058 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.749 -12.851 -6.758 1.00 0.00 O ATOM 1541 ND2 ASN A 101 1.252 -14.522 -5.344 1.00 0.00 N ATOM 0 H ASN A 101 1.760 -10.982 -7.819 1.00 0.00 H new ATOM 0 HA ASN A 101 4.443 -11.790 -7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.667 -13.847 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.152 -12.422 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.298 -14.884 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.963 -14.985 -4.778 1.00 0.00 H new ATOM 1548 N GLN A 102 4.007 -14.015 -8.529 1.00 0.00 N ATOM 1549 CA GLN A 102 3.983 -14.866 -9.713 1.00 0.00 C ATOM 1550 C GLN A 102 2.553 -15.253 -10.075 1.00 0.00 C ATOM 1551 O GLN A 102 2.215 -15.389 -11.250 1.00 0.00 O ATOM 1552 CB GLN A 102 4.821 -16.123 -9.481 1.00 0.00 C ATOM 1553 CG GLN A 102 4.529 -17.241 -10.469 1.00 0.00 C ATOM 1554 CD GLN A 102 4.671 -16.796 -11.911 1.00 0.00 C ATOM 1555 OE1 GLN A 102 3.697 -16.776 -12.665 1.00 0.00 O ATOM 1556 NE2 GLN A 102 5.887 -16.437 -12.303 1.00 0.00 N ATOM 0 H GLN A 102 4.613 -14.351 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 102 4.409 -14.303 -10.543 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.877 -15.862 -9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.642 -16.487 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.207 -18.073 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.517 -17.611 -10.305 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.665 -16.469 -11.645 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.043 -16.129 -13.263 1.00 0.00 H new ATOM 1565 N ALA A 103 1.717 -15.431 -9.057 1.00 0.00 N ATOM 1566 CA ALA A 103 0.323 -15.801 -9.268 1.00 0.00 C ATOM 1567 C ALA A 103 -0.464 -14.649 -9.882 1.00 0.00 C ATOM 1568 O ALA A 103 -0.842 -14.696 -11.052 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.312 -16.237 -7.956 1.00 0.00 C ATOM 0 H ALA A 103 1.981 -15.325 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 103 0.297 -16.637 -9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.353 -16.510 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.228 -17.097 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.266 -15.417 -7.239 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.709 -13.614 -9.085 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.451 -12.464 -9.568 1.00 0.00 C ATOM 1577 C GLY A 104 -1.270 -11.244 -8.686 1.00 0.00 C ATOM 1578 O GLY A 104 -0.180 -11.001 -8.168 1.00 0.00 O ATOM 0 H GLY A 104 -0.407 -13.551 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.128 -12.227 -10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.510 -12.716 -9.622 1.00 0.00 H new ATOM 1582 N SER A 105 -2.340 -10.474 -8.517 1.00 0.00 N ATOM 1583 CA SER A 105 -2.292 -9.270 -7.696 1.00 0.00 C ATOM 1584 C SER A 105 -3.610 -9.065 -6.956 1.00 0.00 C ATOM 1585 O SER A 105 -4.664 -9.515 -7.405 1.00 0.00 O ATOM 1586 CB SER A 105 -1.986 -8.048 -8.564 1.00 0.00 C ATOM 1587 OG SER A 105 -2.903 -7.944 -9.640 1.00 0.00 O ATOM 0 H SER A 105 -3.250 -10.662 -8.937 1.00 0.00 H new ATOM 0 HA SER A 105 -1.497 -9.393 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.031 -7.145 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.970 -8.120 -8.953 1.00 0.00 H new ATOM 0 HG SER A 105 -2.687 -7.154 -10.179 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.542 -8.381 -5.818 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.729 -8.117 -5.013 1.00 0.00 C ATOM 1595 C ARG A 106 -4.682 -6.711 -4.422 1.00 0.00 C ATOM 1596 O ARG A 106 -3.865 -6.421 -3.549 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.851 -9.150 -3.891 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.227 -9.190 -3.248 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.235 -9.908 -4.132 1.00 0.00 C ATOM 1600 NE ARG A 106 -7.070 -11.358 -4.084 1.00 0.00 N ATOM 1601 CZ ARG A 106 -8.029 -12.218 -4.408 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.215 -11.776 -4.803 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -7.803 -13.524 -4.339 1.00 0.00 N ATOM 0 H ARG A 106 -2.678 -8.000 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.602 -8.191 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.617 -10.137 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.107 -8.931 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.164 -9.693 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.569 -8.173 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.245 -9.647 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.125 -9.564 -5.161 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.169 -11.731 -3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.393 -10.773 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.950 -12.439 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.892 -13.869 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.541 -14.183 -4.588 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.565 -5.842 -4.904 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.624 -4.466 -4.424 1.00 0.00 C ATOM 1619 C ASN A 107 -6.410 -4.379 -3.119 1.00 0.00 C ATOM 1620 O ASN A 107 -7.529 -4.883 -3.021 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.265 -3.563 -5.480 1.00 0.00 C ATOM 1622 CG ASN A 107 -7.779 -3.645 -5.469 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.368 -4.526 -6.096 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.417 -2.725 -4.755 1.00 0.00 N ATOM 0 H ASN A 107 -6.249 -6.066 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.605 -4.128 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.959 -2.531 -5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.896 -3.844 -6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.436 -2.730 -4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.888 -2.013 -4.251 1.00 0.00 H new ATOM 1631 N SER A 108 -5.816 -3.735 -2.119 1.00 0.00 N ATOM 1632 CA SER A 108 -6.458 -3.583 -0.819 1.00 0.00 C ATOM 1633 C SER A 108 -7.516 -2.485 -0.860 1.00 0.00 C ATOM 1634 O SER A 108 -7.723 -1.847 -1.892 1.00 0.00 O ATOM 1635 CB SER A 108 -5.416 -3.263 0.254 1.00 0.00 C ATOM 1636 OG SER A 108 -5.929 -3.509 1.552 1.00 0.00 O ATOM 0 H SER A 108 -4.891 -3.310 -2.185 1.00 0.00 H new ATOM 0 HA SER A 108 -6.947 -4.525 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.524 -3.868 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.113 -2.219 0.171 1.00 0.00 H new ATOM 0 HG SER A 108 -5.388 -4.198 1.992 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.183 -2.272 0.270 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.221 -1.251 0.363 1.00 0.00 C ATOM 1644 C GLU A 109 -8.606 0.142 0.459 1.00 0.00 C ATOM 1645 O GLU A 109 -7.498 0.326 0.964 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.116 -1.511 1.576 1.00 0.00 C ATOM 1647 CG GLU A 109 -9.462 -1.156 2.901 1.00 0.00 C ATOM 1648 CD GLU A 109 -10.237 -1.685 4.093 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -11.269 -1.076 4.446 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -9.811 -2.705 4.673 1.00 0.00 O ATOM 0 H GLU A 109 -8.024 -2.792 1.133 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.826 -1.300 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.036 -0.936 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.398 -2.564 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.450 -1.559 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.375 -0.072 2.980 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.341 1.149 -0.037 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.890 2.543 -0.019 1.00 0.00 C ATOM 1659 C PRO A 110 -8.865 3.126 1.390 1.00 0.00 C ATOM 1660 O PRO A 110 -9.908 3.296 2.022 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.931 3.265 -0.877 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.155 2.421 -0.778 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.671 1.002 -0.653 1.00 0.00 C ATOM 0 HA PRO A 110 -7.869 2.645 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.115 4.275 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.597 3.358 -1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.756 2.706 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.785 2.542 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.338 0.403 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.612 0.510 -1.624 1.00 0.00 H new ATOM 1671 N THR A 111 -7.666 3.431 1.879 1.00 0.00 N ATOM 1672 CA THR A 111 -7.505 3.994 3.213 1.00 0.00 C ATOM 1673 C THR A 111 -7.328 5.507 3.154 1.00 0.00 C ATOM 1674 O THR A 111 -6.256 6.002 2.805 1.00 0.00 O ATOM 1675 CB THR A 111 -6.298 3.375 3.942 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.561 2.000 4.245 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.994 4.133 5.226 1.00 0.00 C ATOM 0 H THR A 111 -6.792 3.297 1.370 1.00 0.00 H new ATOM 0 HA THR A 111 -8.414 3.759 3.767 1.00 0.00 H new ATOM 0 HB THR A 111 -5.431 3.443 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.363 1.829 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.138 3.677 5.723 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.766 5.172 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.861 4.093 5.886 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.384 6.236 3.497 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.344 7.693 3.482 1.00 0.00 C ATOM 1687 C ARG A 112 -7.509 8.226 4.642 1.00 0.00 C ATOM 1688 O ARG A 112 -7.689 7.818 5.790 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.762 8.264 3.555 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.744 7.577 2.621 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.820 8.538 2.139 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.964 7.836 1.565 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.832 7.134 2.285 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.686 7.041 3.599 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.848 6.523 1.690 1.00 0.00 N ATOM 0 H ARG A 112 -9.278 5.842 3.789 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.880 8.009 2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.127 8.178 4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.729 9.327 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.208 7.169 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.209 6.736 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.155 9.155 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.397 9.212 1.394 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.105 7.887 0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.906 7.509 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.354 6.501 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.963 6.592 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.514 5.984 2.244 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.594 9.139 4.335 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.730 9.728 5.352 1.00 0.00 C ATOM 1711 C LEU A 113 -5.762 11.252 5.278 1.00 0.00 C ATOM 1712 O LEU A 113 -6.282 11.827 4.322 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.294 9.228 5.182 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.105 7.711 5.205 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.647 7.351 4.968 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.590 7.134 6.527 1.00 0.00 C ATOM 0 H LEU A 113 -6.431 9.487 3.390 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.101 9.422 6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.908 9.608 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.683 9.662 5.973 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.700 7.278 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.532 6.267 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.332 7.732 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.031 7.796 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.448 6.053 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.022 7.574 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.648 7.361 6.657 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.201 11.900 6.293 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.161 13.357 6.342 1.00 0.00 C ATOM 1730 C LYS A 114 -3.809 13.847 6.852 1.00 0.00 C ATOM 1731 O LYS A 114 -3.307 13.369 7.870 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.280 13.888 7.241 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.641 13.913 6.567 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.577 14.904 7.238 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.244 16.336 6.850 1.00 0.00 C ATOM 1736 NZ LYS A 114 -8.773 17.316 7.838 1.00 0.00 N ATOM 0 H LYS A 114 -4.768 11.439 7.093 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.306 13.734 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.339 13.270 8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.026 14.897 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.523 14.177 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.082 12.917 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.607 14.680 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.510 14.794 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.163 16.448 6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.660 16.552 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.525 18.280 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.808 17.227 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.356 17.127 8.772 1.00 0.00 H new ATOM 1750 N THR A 115 -3.225 14.805 6.139 1.00 0.00 N ATOM 1751 CA THR A 115 -1.932 15.360 6.519 1.00 0.00 C ATOM 1752 C THR A 115 -2.081 16.385 7.638 1.00 0.00 C ATOM 1753 O THR A 115 -3.185 16.843 7.929 1.00 0.00 O ATOM 1754 CB THR A 115 -1.231 16.025 5.319 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.102 16.988 4.716 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.823 14.985 4.287 1.00 0.00 C ATOM 0 H THR A 115 -3.627 15.213 5.295 1.00 0.00 H new ATOM 0 HA THR A 115 -1.322 14.528 6.871 1.00 0.00 H new ATOM 0 HB THR A 115 -0.333 16.525 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.699 17.320 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.330 15.478 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.137 14.270 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.709 14.460 3.929 1.00 0.00 H new ATOM 1764 N ASN A 116 -0.963 16.741 8.261 1.00 0.00 N ATOM 1765 CA ASN A 116 -0.970 17.712 9.348 1.00 0.00 C ATOM 1766 C ASN A 116 -1.108 19.132 8.808 1.00 0.00 C ATOM 1767 O ASN A 116 -0.989 19.364 7.605 1.00 0.00 O ATOM 1768 CB ASN A 116 0.311 17.592 10.176 1.00 0.00 C ATOM 1769 CG ASN A 116 0.357 16.313 10.989 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.647 15.896 11.567 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.525 15.684 11.039 1.00 0.00 N ATOM 0 H ASN A 116 -0.040 16.371 8.032 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.828 17.499 9.986 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.174 17.628 9.512 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.389 18.448 10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.616 14.819 11.572 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.331 16.066 10.544 1.00 0.00 H new