USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -122:sc= 0.0415 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.123 USER MOD Set 2.1: A 43 TYR OH : rot 70:sc= 0.0187 USER MOD Set 2.2: A 64 MET CE :methyl -164:sc= -2.3 (180deg=-1.14) USER MOD Set 2.3: A 80 GLN : amide:sc= -3.97! C(o=-6.2!,f=-9.2!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 42 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.822 K(o=0.82,f=-4.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.419 K(o=0.42,f=-0.6) USER MOD Single : A 78 MET CE :methyl 148:sc= -0.0691 (180deg=-0.197) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.051) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 1.06 (180deg=0.989) USER MOD Single : A 93 LYS NZ :NH3+ -130:sc= 0.166 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -10.922 11.637 7.478 1.00 0.00 N ATOM 175 CA LEU A 14 -9.811 12.554 7.735 1.00 0.00 C ATOM 176 C LEU A 14 -9.305 13.219 6.439 1.00 0.00 C ATOM 177 O LEU A 14 -8.420 14.079 6.495 1.00 0.00 O ATOM 178 CB LEU A 14 -8.686 11.768 8.440 1.00 0.00 C ATOM 179 CG LEU A 14 -9.149 10.984 9.695 1.00 0.00 C ATOM 180 CD1 LEU A 14 -8.959 9.474 9.488 1.00 0.00 C ATOM 181 CD2 LEU A 14 -8.386 11.444 10.944 1.00 0.00 C ATOM 0 HA LEU A 14 -10.154 13.365 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.247 11.068 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.899 12.464 8.730 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.209 11.189 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.289 8.940 10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.547 9.147 8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.905 9.261 9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.730 10.878 11.810 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.319 11.275 10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.566 12.506 11.110 1.00 0.00 H new ATOM 193 N LEU A 15 -9.850 12.825 5.278 1.00 0.00 N ATOM 194 CA LEU A 15 -9.441 13.307 3.953 1.00 0.00 C ATOM 195 C LEU A 15 -10.204 14.572 3.523 1.00 0.00 C ATOM 196 O LEU A 15 -11.022 15.134 4.252 1.00 0.00 O ATOM 197 CB LEU A 15 -9.607 12.191 2.898 1.00 0.00 C ATOM 198 CG LEU A 15 -9.013 10.810 3.247 1.00 0.00 C ATOM 199 CD1 LEU A 15 -9.221 9.862 2.058 1.00 0.00 C ATOM 200 CD2 LEU A 15 -7.518 10.889 3.590 1.00 0.00 C ATOM 0 H LEU A 15 -10.608 12.144 5.235 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.388 13.580 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.672 12.063 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.151 12.532 1.968 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.528 10.436 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.804 8.883 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.287 9.763 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.720 10.266 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.146 9.892 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.969 11.286 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.376 11.544 4.449 1.00 0.00 H new ATOM 212 N SER A 16 -9.937 15.000 2.293 1.00 0.00 N ATOM 213 CA SER A 16 -10.520 16.159 1.633 1.00 0.00 C ATOM 214 C SER A 16 -11.680 15.768 0.698 1.00 0.00 C ATOM 215 O SER A 16 -11.716 14.640 0.191 1.00 0.00 O ATOM 216 CB SER A 16 -9.398 16.815 0.824 1.00 0.00 C ATOM 217 OG SER A 16 -8.531 17.574 1.658 1.00 0.00 O ATOM 0 H SER A 16 -9.267 14.516 1.696 1.00 0.00 H new ATOM 0 HA SER A 16 -10.935 16.838 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.825 16.047 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.829 17.462 0.060 1.00 0.00 H new ATOM 0 HG SER A 16 -7.824 17.979 1.113 1.00 0.00 H new ATOM 223 N PRO A 17 -12.591 16.710 0.385 1.00 0.00 N ATOM 224 CA PRO A 17 -13.733 16.480 -0.499 1.00 0.00 C ATOM 225 C PRO A 17 -13.322 16.076 -1.921 1.00 0.00 C ATOM 226 O PRO A 17 -14.082 15.389 -2.596 1.00 0.00 O ATOM 227 CB PRO A 17 -14.528 17.793 -0.484 1.00 0.00 C ATOM 228 CG PRO A 17 -13.469 18.848 -0.160 1.00 0.00 C ATOM 229 CD PRO A 17 -12.537 18.107 0.788 1.00 0.00 C ATOM 0 HA PRO A 17 -14.330 15.638 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -15.004 17.985 -1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.319 17.775 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.949 19.188 -1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.906 19.730 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.521 18.495 0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.855 18.228 1.823 1.00 0.00 H new ATOM 237 N GLU A 18 -12.111 16.443 -2.355 1.00 0.00 N ATOM 238 CA GLU A 18 -11.552 16.084 -3.665 1.00 0.00 C ATOM 239 C GLU A 18 -10.826 14.722 -3.683 1.00 0.00 C ATOM 240 O GLU A 18 -10.530 14.205 -4.759 1.00 0.00 O ATOM 241 CB GLU A 18 -10.656 17.220 -4.187 1.00 0.00 C ATOM 242 CG GLU A 18 -9.428 17.508 -3.312 1.00 0.00 C ATOM 243 CD GLU A 18 -8.588 18.649 -3.908 1.00 0.00 C ATOM 244 OE1 GLU A 18 -7.688 18.378 -4.737 1.00 0.00 O ATOM 245 OE2 GLU A 18 -8.822 19.828 -3.548 1.00 0.00 O ATOM 0 H GLU A 18 -11.477 17.011 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.396 15.958 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.320 16.969 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.252 18.129 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.748 17.774 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.818 16.609 -3.226 1.00 0.00 H new ATOM 252 N GLU A 19 -10.563 14.118 -2.518 1.00 0.00 N ATOM 253 CA GLU A 19 -9.997 12.771 -2.383 1.00 0.00 C ATOM 254 C GLU A 19 -11.099 11.710 -2.407 1.00 0.00 C ATOM 255 O GLU A 19 -11.050 10.745 -3.167 1.00 0.00 O ATOM 256 CB GLU A 19 -9.252 12.645 -1.046 1.00 0.00 C ATOM 257 CG GLU A 19 -7.883 13.319 -1.027 1.00 0.00 C ATOM 258 CD GLU A 19 -6.864 12.617 -1.940 1.00 0.00 C ATOM 259 OE1 GLU A 19 -6.437 11.484 -1.618 1.00 0.00 O ATOM 260 OE2 GLU A 19 -6.470 13.204 -2.976 1.00 0.00 O ATOM 0 H GLU A 19 -10.743 14.565 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.316 12.615 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.868 13.077 -0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.128 11.588 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.990 14.358 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.502 13.331 -0.006 1.00 0.00 H new ATOM 267 N LEU A 20 -12.111 11.910 -1.562 1.00 0.00 N ATOM 268 CA LEU A 20 -13.244 11.005 -1.361 1.00 0.00 C ATOM 269 C LEU A 20 -14.035 10.833 -2.655 1.00 0.00 C ATOM 270 O LEU A 20 -14.258 9.712 -3.110 1.00 0.00 O ATOM 271 CB LEU A 20 -14.145 11.599 -0.268 1.00 0.00 C ATOM 272 CG LEU A 20 -13.423 11.831 1.075 1.00 0.00 C ATOM 273 CD1 LEU A 20 -14.134 12.976 1.797 1.00 0.00 C ATOM 274 CD2 LEU A 20 -13.369 10.542 1.901 1.00 0.00 C ATOM 0 H LEU A 20 -12.166 12.742 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.880 10.023 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.551 12.547 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.991 10.931 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.383 12.113 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.644 13.163 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.090 13.876 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.176 12.706 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.855 10.734 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.383 10.198 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.831 9.775 1.344 1.00 0.00 H new ATOM 286 N LYS A 21 -14.402 11.953 -3.283 1.00 0.00 N ATOM 287 CA LYS A 21 -15.077 11.944 -4.592 1.00 0.00 C ATOM 288 C LYS A 21 -14.225 11.298 -5.707 1.00 0.00 C ATOM 289 O LYS A 21 -14.784 10.649 -6.591 1.00 0.00 O ATOM 290 CB LYS A 21 -15.514 13.370 -4.977 1.00 0.00 C ATOM 291 CG LYS A 21 -16.890 13.792 -4.424 1.00 0.00 C ATOM 292 CD LYS A 21 -17.097 13.558 -2.921 1.00 0.00 C ATOM 293 CE LYS A 21 -18.402 14.224 -2.464 1.00 0.00 C ATOM 294 NZ LYS A 21 -18.658 14.014 -1.015 1.00 0.00 N ATOM 0 H LYS A 21 -14.243 12.887 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.963 11.317 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.763 14.075 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.535 13.448 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.037 14.852 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.663 13.250 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.131 12.489 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.255 13.965 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.356 15.293 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.235 13.823 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.549 14.480 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.728 12.995 -0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.876 14.420 -0.462 1.00 0.00 H new ATOM 308 N ALA A 22 -12.890 11.402 -5.648 1.00 0.00 N ATOM 309 CA ALA A 22 -11.981 10.759 -6.606 1.00 0.00 C ATOM 310 C ALA A 22 -11.884 9.237 -6.394 1.00 0.00 C ATOM 311 O ALA A 22 -11.941 8.478 -7.365 1.00 0.00 O ATOM 312 CB ALA A 22 -10.608 11.444 -6.527 1.00 0.00 C ATOM 0 H ALA A 22 -12.407 11.939 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.384 10.884 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.925 10.974 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.714 12.501 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.209 11.344 -5.517 1.00 0.00 H new ATOM 391 N GLU A 29 -13.058 1.894 -1.992 1.00 0.00 N ATOM 392 CA GLU A 29 -12.217 0.942 -1.255 1.00 0.00 C ATOM 393 C GLU A 29 -10.721 1.180 -1.504 1.00 0.00 C ATOM 394 O GLU A 29 -10.350 2.085 -2.245 1.00 0.00 O ATOM 395 CB GLU A 29 -12.601 -0.493 -1.645 1.00 0.00 C ATOM 396 CG GLU A 29 -13.098 -1.321 -0.452 1.00 0.00 C ATOM 397 CD GLU A 29 -14.361 -0.726 0.194 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.439 -0.741 -0.444 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.285 -0.259 1.355 1.00 0.00 O ATOM 0 HA GLU A 29 -12.393 1.094 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.378 -0.461 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.737 -0.987 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.308 -2.338 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.307 -1.385 0.296 1.00 0.00 H new ATOM 406 N TYR A 30 -9.865 0.347 -0.898 1.00 0.00 N ATOM 407 CA TYR A 30 -8.400 0.388 -1.003 1.00 0.00 C ATOM 408 C TYR A 30 -7.728 -0.834 -0.354 1.00 0.00 C ATOM 409 O TYR A 30 -8.250 -1.421 0.597 1.00 0.00 O ATOM 410 CB TYR A 30 -7.840 1.676 -0.380 1.00 0.00 C ATOM 411 CG TYR A 30 -7.984 1.738 1.130 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.251 1.942 1.709 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.859 1.525 1.952 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.395 1.957 3.111 1.00 0.00 C ATOM 415 CE2 TYR A 30 -6.996 1.529 3.352 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.263 1.753 3.937 1.00 0.00 C ATOM 417 OH TYR A 30 -8.389 1.762 5.294 1.00 0.00 O ATOM 0 H TYR A 30 -10.189 -0.408 -0.294 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.168 0.369 -2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.785 1.765 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.350 2.533 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.115 2.087 1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.890 1.358 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.366 2.124 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.133 1.361 3.980 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.513 1.605 5.705 1.00 0.00 H new ATOM 427 N ALA A 31 -6.544 -1.182 -0.855 1.00 0.00 N ATOM 428 CA ALA A 31 -5.693 -2.265 -0.366 1.00 0.00 C ATOM 429 C ALA A 31 -4.217 -1.983 -0.685 1.00 0.00 C ATOM 430 O ALA A 31 -3.902 -1.302 -1.661 1.00 0.00 O ATOM 431 CB ALA A 31 -6.171 -3.583 -0.992 1.00 0.00 C ATOM 0 H ALA A 31 -6.133 -0.693 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.770 -2.341 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.546 -4.402 -0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.207 -3.767 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.100 -3.517 -2.078 1.00 0.00 H new ATOM 437 N TRP A 32 -3.321 -2.531 0.135 1.00 0.00 N ATOM 438 CA TRP A 32 -1.870 -2.494 -0.067 1.00 0.00 C ATOM 439 C TRP A 32 -1.345 -3.881 -0.466 1.00 0.00 C ATOM 440 O TRP A 32 -1.875 -4.910 -0.037 1.00 0.00 O ATOM 441 CB TRP A 32 -1.181 -1.985 1.210 1.00 0.00 C ATOM 442 CG TRP A 32 -1.203 -0.503 1.444 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.293 0.255 1.708 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.067 0.418 1.462 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.913 1.571 1.881 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.549 1.721 1.793 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.327 0.282 1.256 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.307 2.816 1.965 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.187 1.388 1.397 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.680 2.637 1.766 1.00 0.00 C ATOM 0 H TRP A 32 -3.591 -3.028 0.984 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.640 -1.807 -0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.649 -2.471 2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.141 -2.310 1.188 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.306 -0.114 1.773 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.564 2.337 2.053 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.736 -0.681 0.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.086 3.782 2.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.246 1.270 1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.354 3.471 1.899 1.00 0.00 H new ATOM 461 N TYR A 33 -0.270 -3.902 -1.256 1.00 0.00 N ATOM 462 CA TYR A 33 0.366 -5.104 -1.805 1.00 0.00 C ATOM 463 C TYR A 33 1.901 -5.008 -1.778 1.00 0.00 C ATOM 464 O TYR A 33 2.463 -3.923 -1.914 1.00 0.00 O ATOM 465 CB TYR A 33 -0.114 -5.328 -3.251 1.00 0.00 C ATOM 466 CG TYR A 33 -1.549 -5.797 -3.406 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.615 -4.874 -3.330 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.818 -7.154 -3.667 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.946 -5.308 -3.478 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.146 -7.594 -3.827 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.215 -6.674 -3.727 1.00 0.00 C ATOM 472 OH TYR A 33 -5.496 -7.106 -3.884 1.00 0.00 O ATOM 0 H TYR A 33 0.203 -3.045 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 33 0.077 -5.948 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.005 -4.395 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.541 -6.061 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.408 -3.828 -3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.004 -7.859 -3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.759 -4.601 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.348 -8.636 -4.026 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.498 -8.072 -4.049 1.00 0.00 H new ATOM 482 N TYR A 34 2.586 -6.147 -1.649 1.00 0.00 N ATOM 483 CA TYR A 34 4.054 -6.260 -1.614 1.00 0.00 C ATOM 484 C TYR A 34 4.565 -7.421 -2.483 1.00 0.00 C ATOM 485 O TYR A 34 3.867 -8.423 -2.642 1.00 0.00 O ATOM 486 CB TYR A 34 4.522 -6.438 -0.159 1.00 0.00 C ATOM 487 CG TYR A 34 4.171 -7.770 0.487 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.916 -7.955 1.098 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.102 -8.829 0.470 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.580 -9.195 1.672 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.777 -10.072 1.045 1.00 0.00 C ATOM 492 CZ TYR A 34 3.510 -10.259 1.646 1.00 0.00 C ATOM 493 OH TYR A 34 3.181 -11.459 2.202 1.00 0.00 O ATOM 0 H TYR A 34 2.121 -7.051 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 34 4.471 -5.341 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.604 -6.313 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.091 -5.638 0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.207 -7.141 1.126 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.070 -8.686 0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.613 -9.334 2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.493 -10.881 1.027 1.00 0.00 H new ATOM 0 HH TYR A 34 3.929 -12.083 2.099 1.00 0.00 H new ATOM 503 N GLU A 35 5.784 -7.308 -3.023 1.00 0.00 N ATOM 504 CA GLU A 35 6.431 -8.418 -3.733 1.00 0.00 C ATOM 505 C GLU A 35 6.964 -9.466 -2.742 1.00 0.00 C ATOM 506 O GLU A 35 7.911 -9.205 -1.996 1.00 0.00 O ATOM 507 CB GLU A 35 7.572 -7.926 -4.638 1.00 0.00 C ATOM 508 CG GLU A 35 7.084 -7.047 -5.793 1.00 0.00 C ATOM 509 CD GLU A 35 8.168 -6.921 -6.875 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.177 -6.215 -6.648 1.00 0.00 O ATOM 511 OE2 GLU A 35 8.028 -7.547 -7.953 1.00 0.00 O ATOM 0 H GLU A 35 6.344 -6.456 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 35 5.672 -8.880 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.287 -7.364 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.103 -8.787 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.180 -7.475 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.821 -6.058 -5.418 1.00 0.00 H new ATOM 518 N GLY A 36 6.365 -10.663 -2.762 1.00 0.00 N ATOM 519 CA GLY A 36 6.829 -11.858 -2.045 1.00 0.00 C ATOM 520 C GLY A 36 7.728 -12.737 -2.919 1.00 0.00 C ATOM 521 O GLY A 36 8.479 -12.233 -3.755 1.00 0.00 O ATOM 0 H GLY A 36 5.513 -10.832 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.375 -11.556 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.968 -12.438 -1.711 1.00 0.00 H new ATOM 525 N ARG A 37 7.664 -14.059 -2.718 1.00 0.00 N ATOM 526 CA ARG A 37 8.431 -15.045 -3.502 1.00 0.00 C ATOM 527 C ARG A 37 7.836 -15.272 -4.905 1.00 0.00 C ATOM 528 O ARG A 37 8.575 -15.354 -5.888 1.00 0.00 O ATOM 529 CB ARG A 37 8.500 -16.360 -2.702 1.00 0.00 C ATOM 530 CG ARG A 37 9.428 -17.407 -3.341 1.00 0.00 C ATOM 531 CD ARG A 37 9.423 -18.734 -2.570 1.00 0.00 C ATOM 532 NE ARG A 37 8.120 -19.413 -2.688 1.00 0.00 N ATOM 533 CZ ARG A 37 7.747 -20.545 -2.109 1.00 0.00 C ATOM 534 NH1 ARG A 37 8.551 -21.235 -1.326 1.00 0.00 N ATOM 535 NH2 ARG A 37 6.532 -21.000 -2.325 1.00 0.00 N ATOM 0 H ARG A 37 7.074 -14.482 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 37 9.436 -14.657 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.846 -16.145 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.497 -16.778 -2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.117 -17.586 -4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.444 -17.015 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.211 -19.383 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.646 -18.548 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 37 7.427 -18.960 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.498 -20.902 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.226 -22.102 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.894 -20.483 -2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.228 -21.870 -1.888 1.00 0.00 H new ATOM 549 N ASN A 38 6.503 -15.373 -4.996 1.00 0.00 N ATOM 550 CA ASN A 38 5.776 -15.792 -6.208 1.00 0.00 C ATOM 551 C ASN A 38 5.029 -14.659 -6.953 1.00 0.00 C ATOM 552 O ASN A 38 4.544 -14.879 -8.065 1.00 0.00 O ATOM 553 CB ASN A 38 4.823 -16.946 -5.845 1.00 0.00 C ATOM 554 CG ASN A 38 5.564 -18.227 -5.488 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.004 -18.424 -4.360 1.00 0.00 O ATOM 556 ND2 ASN A 38 5.721 -19.138 -6.427 1.00 0.00 N ATOM 0 H ASN A 38 5.884 -15.162 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 38 6.530 -16.123 -6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.198 -16.645 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.155 -17.139 -6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.209 -20.009 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.355 -18.973 -7.364 1.00 0.00 H new ATOM 563 N GLY A 39 4.937 -13.454 -6.372 1.00 0.00 N ATOM 564 CA GLY A 39 4.257 -12.286 -6.959 1.00 0.00 C ATOM 565 C GLY A 39 3.794 -11.269 -5.917 1.00 0.00 C ATOM 566 O GLY A 39 4.307 -11.243 -4.797 1.00 0.00 O ATOM 0 H GLY A 39 5.343 -13.258 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.932 -11.796 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.395 -12.627 -7.532 1.00 0.00 H new ATOM 570 N TRP A 40 2.830 -10.425 -6.292 1.00 0.00 N ATOM 571 CA TRP A 40 2.190 -9.456 -5.397 1.00 0.00 C ATOM 572 C TRP A 40 1.182 -10.133 -4.457 1.00 0.00 C ATOM 573 O TRP A 40 0.300 -10.867 -4.912 1.00 0.00 O ATOM 574 CB TRP A 40 1.495 -8.374 -6.233 1.00 0.00 C ATOM 575 CG TRP A 40 2.402 -7.597 -7.131 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.596 -7.843 -8.445 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.261 -6.462 -6.804 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.517 -6.950 -8.952 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.951 -6.065 -7.989 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.518 -5.718 -5.631 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.840 -4.981 -8.014 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.407 -4.627 -5.646 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.064 -4.257 -6.832 1.00 0.00 C ATOM 0 H TRP A 40 2.465 -10.395 -7.244 1.00 0.00 H new ATOM 0 HA TRP A 40 2.961 -9.002 -4.775 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.722 -8.845 -6.840 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.993 -7.680 -5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.105 -8.620 -9.012 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.837 -6.945 -9.920 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.025 -5.990 -4.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.345 -4.707 -8.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.586 -4.069 -4.738 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.741 -3.416 -6.834 1.00 0.00 H new ATOM 594 N TRP A 41 1.274 -9.833 -3.159 1.00 0.00 N ATOM 595 CA TRP A 41 0.401 -10.369 -2.108 1.00 0.00 C ATOM 596 C TRP A 41 -0.143 -9.251 -1.214 1.00 0.00 C ATOM 597 O TRP A 41 0.548 -8.263 -0.961 1.00 0.00 O ATOM 598 CB TRP A 41 1.171 -11.424 -1.301 1.00 0.00 C ATOM 599 CG TRP A 41 1.650 -12.573 -2.130 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.939 -12.930 -2.318 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.865 -13.461 -2.981 1.00 0.00 C ATOM 602 NE1 TRP A 41 3.007 -13.961 -3.235 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.758 -14.294 -3.715 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.516 -13.612 -3.240 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.310 -15.203 -4.687 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -0.977 -14.522 -4.206 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.069 -15.313 -4.936 1.00 0.00 C ATOM 0 H TRP A 41 1.979 -9.191 -2.798 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.465 -10.846 -2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.027 -10.950 -0.821 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.529 -11.802 -0.506 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.788 -12.478 -1.826 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.873 -14.419 -3.521 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.228 -13.018 -2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.015 -15.809 -5.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.037 -14.616 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.431 -16.002 -5.685 1.00 0.00 H new ATOM 618 N GLN A 42 -1.396 -9.386 -0.776 1.00 0.00 N ATOM 619 CA GLN A 42 -2.104 -8.355 -0.013 1.00 0.00 C ATOM 620 C GLN A 42 -1.747 -8.428 1.484 1.00 0.00 C ATOM 621 O GLN A 42 -1.645 -9.516 2.057 1.00 0.00 O ATOM 622 CB GLN A 42 -3.619 -8.517 -0.237 1.00 0.00 C ATOM 623 CG GLN A 42 -4.407 -7.252 0.138 1.00 0.00 C ATOM 624 CD GLN A 42 -5.926 -7.455 0.101 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.480 -8.186 -0.711 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.667 -6.824 0.991 1.00 0.00 N ATOM 0 H GLN A 42 -1.954 -10.223 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.795 -7.370 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.805 -8.760 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.983 -9.357 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.114 -6.932 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.137 -6.447 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.228 -6.210 1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.679 -6.950 0.993 1.00 0.00 H new ATOM 635 N TYR A 43 -1.602 -7.269 2.133 1.00 0.00 N ATOM 636 CA TYR A 43 -1.475 -7.162 3.596 1.00 0.00 C ATOM 637 C TYR A 43 -2.785 -7.482 4.347 1.00 0.00 C ATOM 638 O TYR A 43 -3.883 -7.429 3.785 1.00 0.00 O ATOM 639 CB TYR A 43 -1.030 -5.740 3.960 1.00 0.00 C ATOM 640 CG TYR A 43 0.407 -5.415 3.624 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.434 -5.716 4.536 1.00 0.00 C ATOM 642 CD2 TYR A 43 0.705 -4.779 2.409 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.760 -5.355 4.238 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.023 -4.408 2.104 1.00 0.00 C ATOM 645 CZ TYR A 43 3.051 -4.691 3.027 1.00 0.00 C ATOM 646 OH TYR A 43 4.325 -4.334 2.730 1.00 0.00 O ATOM 0 H TYR A 43 -1.569 -6.368 1.656 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.737 -7.902 3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.677 -5.030 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.180 -5.591 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.205 -6.223 5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.086 -4.574 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.553 -5.585 4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.248 -3.911 1.172 1.00 0.00 H new ATOM 0 HH TYR A 43 4.855 -5.137 2.543 1.00 0.00 H new ATOM 656 N ASP A 44 -2.669 -7.753 5.651 1.00 0.00 N ATOM 657 CA ASP A 44 -3.819 -7.850 6.559 1.00 0.00 C ATOM 658 C ASP A 44 -4.347 -6.445 6.900 1.00 0.00 C ATOM 659 O ASP A 44 -3.603 -5.463 6.881 1.00 0.00 O ATOM 660 CB ASP A 44 -3.424 -8.634 7.820 1.00 0.00 C ATOM 661 CG ASP A 44 -4.617 -9.302 8.526 1.00 0.00 C ATOM 662 OD1 ASP A 44 -5.578 -8.589 8.892 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.589 -10.538 8.720 1.00 0.00 O ATOM 0 H ASP A 44 -1.772 -7.912 6.109 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.627 -8.393 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.697 -9.400 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.930 -7.958 8.519 1.00 0.00 H new ATOM 668 N GLU A 45 -5.628 -6.360 7.246 1.00 0.00 N ATOM 669 CA GLU A 45 -6.324 -5.102 7.552 1.00 0.00 C ATOM 670 C GLU A 45 -5.842 -4.431 8.852 1.00 0.00 C ATOM 671 O GLU A 45 -6.002 -3.221 9.022 1.00 0.00 O ATOM 672 CB GLU A 45 -7.849 -5.313 7.552 1.00 0.00 C ATOM 673 CG GLU A 45 -8.347 -6.346 8.575 1.00 0.00 C ATOM 674 CD GLU A 45 -9.881 -6.407 8.589 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.469 -7.170 7.786 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.511 -5.697 9.408 1.00 0.00 O ATOM 0 H GLU A 45 -6.230 -7.180 7.325 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.068 -4.404 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.336 -4.358 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.160 -5.627 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.942 -7.329 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.980 -6.086 9.568 1.00 0.00 H new ATOM 683 N ARG A 46 -5.190 -5.192 9.745 1.00 0.00 N ATOM 684 CA ARG A 46 -4.503 -4.659 10.934 1.00 0.00 C ATOM 685 C ARG A 46 -3.276 -3.825 10.545 1.00 0.00 C ATOM 686 O ARG A 46 -2.958 -2.818 11.182 1.00 0.00 O ATOM 687 CB ARG A 46 -4.024 -5.790 11.859 1.00 0.00 C ATOM 688 CG ARG A 46 -5.154 -6.512 12.595 1.00 0.00 C ATOM 689 CD ARG A 46 -5.864 -7.553 11.730 1.00 0.00 C ATOM 690 NE ARG A 46 -6.809 -8.378 12.496 1.00 0.00 N ATOM 691 CZ ARG A 46 -7.515 -9.387 11.999 1.00 0.00 C ATOM 692 NH1 ARG A 46 -7.402 -9.765 10.740 1.00 0.00 N ATOM 693 NH2 ARG A 46 -8.355 -10.041 12.773 1.00 0.00 N ATOM 0 H ARG A 46 -5.124 -6.206 9.662 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.231 -4.034 11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.466 -6.517 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.332 -5.377 12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.749 -7.000 13.481 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.882 -5.778 12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.399 -7.048 10.926 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.121 -8.199 11.262 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.932 -8.159 13.485 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.758 -9.278 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.959 -10.544 10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.462 -9.772 13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.899 -10.817 12.395 1.00 0.00 H new ATOM 707 N THR A 47 -2.593 -4.289 9.497 1.00 0.00 N ATOM 708 CA THR A 47 -1.310 -3.781 8.996 1.00 0.00 C ATOM 709 C THR A 47 -1.486 -2.690 7.951 1.00 0.00 C ATOM 710 O THR A 47 -0.932 -1.610 8.120 1.00 0.00 O ATOM 711 CB THR A 47 -0.464 -4.945 8.467 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.271 -5.848 9.536 1.00 0.00 O ATOM 713 CG2 THR A 47 0.898 -4.469 7.971 1.00 0.00 C ATOM 0 H THR A 47 -2.938 -5.073 8.943 1.00 0.00 H new ATOM 0 HA THR A 47 -0.783 -3.314 9.828 1.00 0.00 H new ATOM 0 HB THR A 47 -0.980 -5.412 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.267 -6.608 9.229 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.470 -5.321 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.760 -3.749 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.439 -3.996 8.791 1.00 0.00 H new ATOM 721 N SER A 48 -2.269 -2.916 6.897 1.00 0.00 N ATOM 722 CA SER A 48 -2.395 -1.971 5.774 1.00 0.00 C ATOM 723 C SER A 48 -2.928 -0.595 6.189 1.00 0.00 C ATOM 724 O SER A 48 -2.513 0.429 5.636 1.00 0.00 O ATOM 725 CB SER A 48 -3.288 -2.556 4.674 1.00 0.00 C ATOM 726 OG SER A 48 -4.603 -2.812 5.147 1.00 0.00 O ATOM 0 H SER A 48 -2.836 -3.757 6.792 1.00 0.00 H new ATOM 0 HA SER A 48 -1.384 -1.821 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.332 -1.863 3.834 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.848 -3.481 4.302 1.00 0.00 H new ATOM 0 HG SER A 48 -5.146 -3.183 4.420 1.00 0.00 H new ATOM 732 N ARG A 49 -3.770 -0.550 7.231 1.00 0.00 N ATOM 733 CA ARG A 49 -4.273 0.704 7.787 1.00 0.00 C ATOM 734 C ARG A 49 -3.153 1.570 8.369 1.00 0.00 C ATOM 735 O ARG A 49 -3.263 2.788 8.317 1.00 0.00 O ATOM 736 CB ARG A 49 -5.416 0.444 8.781 1.00 0.00 C ATOM 737 CG ARG A 49 -4.998 -0.103 10.160 1.00 0.00 C ATOM 738 CD ARG A 49 -4.482 0.909 11.200 1.00 0.00 C ATOM 739 NE ARG A 49 -5.336 2.106 11.326 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.913 3.344 11.573 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.669 3.623 11.896 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.752 4.353 11.497 1.00 0.00 N ATOM 0 H ARG A 49 -4.118 -1.382 7.708 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.694 1.288 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.960 1.377 8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.112 -0.262 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.855 -0.620 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.220 -0.851 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.412 0.418 12.171 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.473 1.218 10.926 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.341 1.973 11.214 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.980 2.874 11.966 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.393 4.588 12.076 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.727 4.188 11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.428 5.301 11.686 1.00 0.00 H new ATOM 756 N GLU A 50 -2.062 0.978 8.874 1.00 0.00 N ATOM 757 CA GLU A 50 -0.943 1.748 9.440 1.00 0.00 C ATOM 758 C GLU A 50 -0.193 2.497 8.328 1.00 0.00 C ATOM 759 O GLU A 50 0.247 3.632 8.505 1.00 0.00 O ATOM 760 CB GLU A 50 0.040 0.825 10.187 1.00 0.00 C ATOM 761 CG GLU A 50 -0.571 0.038 11.356 1.00 0.00 C ATOM 762 CD GLU A 50 -0.787 0.921 12.596 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.728 1.747 12.593 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.025 0.784 13.582 1.00 0.00 O ATOM 0 H GLU A 50 -1.929 -0.033 8.903 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.357 2.467 10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.464 0.118 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.865 1.428 10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.524 -0.390 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.084 -0.795 11.614 1.00 0.00 H new ATOM 771 N LEU A 51 -0.104 1.860 7.158 1.00 0.00 N ATOM 772 CA LEU A 51 0.594 2.345 5.971 1.00 0.00 C ATOM 773 C LEU A 51 -0.206 3.465 5.291 1.00 0.00 C ATOM 774 O LEU A 51 0.354 4.500 4.927 1.00 0.00 O ATOM 775 CB LEU A 51 0.826 1.149 5.022 1.00 0.00 C ATOM 776 CG LEU A 51 1.325 -0.154 5.685 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.454 -1.259 4.631 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.648 0.059 6.430 1.00 0.00 C ATOM 0 H LEU A 51 -0.538 0.949 7.008 1.00 0.00 H new ATOM 0 HA LEU A 51 1.557 2.773 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.109 0.935 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.550 1.448 4.263 1.00 0.00 H new ATOM 0 HG LEU A 51 0.590 -0.462 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.806 -2.175 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.482 -1.439 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.166 -0.950 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.966 -0.880 6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.410 0.400 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.510 0.809 7.209 1.00 0.00 H new ATOM 790 N GLU A 52 -1.526 3.281 5.188 1.00 0.00 N ATOM 791 CA GLU A 52 -2.456 4.293 4.680 1.00 0.00 C ATOM 792 C GLU A 52 -2.626 5.499 5.633 1.00 0.00 C ATOM 793 O GLU A 52 -2.908 6.608 5.183 1.00 0.00 O ATOM 794 CB GLU A 52 -3.815 3.623 4.402 1.00 0.00 C ATOM 795 CG GLU A 52 -4.758 4.455 3.514 1.00 0.00 C ATOM 796 CD GLU A 52 -4.364 4.487 2.024 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.249 4.045 1.660 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.179 4.977 1.209 1.00 0.00 O ATOM 0 H GLU A 52 -1.985 2.411 5.459 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.036 4.699 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.641 2.659 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.310 3.424 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.768 4.055 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.786 5.477 3.892 1.00 0.00 H new ATOM 805 N ASP A 53 -2.429 5.327 6.942 1.00 0.00 N ATOM 806 CA ASP A 53 -2.574 6.411 7.925 1.00 0.00 C ATOM 807 C ASP A 53 -1.327 7.300 7.966 1.00 0.00 C ATOM 808 O ASP A 53 -1.413 8.510 8.126 1.00 0.00 O ATOM 809 CB ASP A 53 -2.823 5.790 9.306 1.00 0.00 C ATOM 810 CG ASP A 53 -3.320 6.757 10.390 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.966 7.781 10.073 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.135 6.417 11.584 1.00 0.00 O ATOM 0 H ASP A 53 -2.164 4.432 7.354 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.415 7.041 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.553 4.988 9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.896 5.332 9.651 1.00 0.00 H new ATOM 817 N ALA A 54 -0.160 6.687 7.788 1.00 0.00 N ATOM 818 CA ALA A 54 1.153 7.333 7.856 1.00 0.00 C ATOM 819 C ALA A 54 1.329 8.515 6.887 1.00 0.00 C ATOM 820 O ALA A 54 1.667 9.617 7.329 1.00 0.00 O ATOM 821 CB ALA A 54 2.201 6.243 7.639 1.00 0.00 C ATOM 0 H ALA A 54 -0.098 5.689 7.585 1.00 0.00 H new ATOM 0 HA ALA A 54 1.268 7.796 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.197 6.683 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.105 5.486 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.050 5.782 6.663 1.00 0.00 H new ATOM 827 N PHE A 55 1.053 8.329 5.589 1.00 0.00 N ATOM 828 CA PHE A 55 1.143 9.426 4.613 1.00 0.00 C ATOM 829 C PHE A 55 0.058 10.494 4.842 1.00 0.00 C ATOM 830 O PHE A 55 0.226 11.656 4.473 1.00 0.00 O ATOM 831 CB PHE A 55 1.114 8.878 3.177 1.00 0.00 C ATOM 832 CG PHE A 55 -0.257 8.795 2.536 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.111 7.720 2.834 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.683 9.806 1.654 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.382 7.649 2.236 1.00 0.00 C ATOM 836 CE2 PHE A 55 -1.955 9.734 1.057 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.805 8.652 1.347 1.00 0.00 C ATOM 0 H PHE A 55 0.767 7.434 5.191 1.00 0.00 H new ATOM 0 HA PHE A 55 2.101 9.925 4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.749 9.508 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.556 7.882 3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.792 6.950 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.032 10.639 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.036 6.820 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.278 10.508 0.377 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.781 8.592 0.888 1.00 0.00 H new ATOM 847 N SER A 56 -1.037 10.101 5.493 1.00 0.00 N ATOM 848 CA SER A 56 -2.131 10.990 5.900 1.00 0.00 C ATOM 849 C SER A 56 -1.769 11.835 7.142 1.00 0.00 C ATOM 850 O SER A 56 -2.188 12.991 7.260 1.00 0.00 O ATOM 851 CB SER A 56 -3.397 10.157 6.157 1.00 0.00 C ATOM 852 OG SER A 56 -4.569 10.944 5.997 1.00 0.00 O ATOM 0 H SER A 56 -1.194 9.129 5.760 1.00 0.00 H new ATOM 0 HA SER A 56 -2.314 11.694 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.426 9.312 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.367 9.745 7.166 1.00 0.00 H new ATOM 0 HG SER A 56 -5.360 10.390 6.164 1.00 0.00 H new ATOM 858 N LYS A 57 -0.930 11.304 8.044 1.00 0.00 N ATOM 859 CA LYS A 57 -0.393 12.022 9.210 1.00 0.00 C ATOM 860 C LYS A 57 0.696 13.031 8.809 1.00 0.00 C ATOM 861 O LYS A 57 0.726 14.148 9.335 1.00 0.00 O ATOM 862 CB LYS A 57 0.187 11.004 10.203 1.00 0.00 C ATOM 863 CG LYS A 57 -0.877 10.203 10.974 1.00 0.00 C ATOM 864 CD LYS A 57 -0.338 8.829 11.399 1.00 0.00 C ATOM 865 CE LYS A 57 0.995 8.890 12.166 1.00 0.00 C ATOM 866 NZ LYS A 57 0.784 9.018 13.635 1.00 0.00 N ATOM 0 H LYS A 57 -0.598 10.341 7.982 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.208 12.581 9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.828 10.309 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.820 11.530 10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.189 10.763 11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.761 10.073 10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.083 8.335 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.207 8.211 10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.574 7.990 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.582 9.736 11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.705 9.056 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.253 9.890 13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.246 8.198 13.981 1.00 0.00 H new ATOM 880 N GLY A 58 1.579 12.639 7.880 1.00 0.00 N ATOM 881 CA GLY A 58 2.661 13.472 7.339 1.00 0.00 C ATOM 882 C GLY A 58 4.047 12.839 7.436 1.00 0.00 C ATOM 883 O GLY A 58 4.995 13.387 6.871 1.00 0.00 O ATOM 0 H GLY A 58 1.559 11.704 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.447 13.692 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.671 14.424 7.869 1.00 0.00 H new ATOM 887 N LYS A 59 4.194 11.694 8.119 1.00 0.00 N ATOM 888 CA LYS A 59 5.448 10.933 8.108 1.00 0.00 C ATOM 889 C LYS A 59 5.758 10.339 6.718 1.00 0.00 C ATOM 890 O LYS A 59 4.861 10.001 5.942 1.00 0.00 O ATOM 891 CB LYS A 59 5.459 9.864 9.221 1.00 0.00 C ATOM 892 CG LYS A 59 4.195 8.997 9.255 1.00 0.00 C ATOM 893 CD LYS A 59 4.360 7.713 10.079 1.00 0.00 C ATOM 894 CE LYS A 59 4.827 7.943 11.524 1.00 0.00 C ATOM 895 NZ LYS A 59 5.037 6.656 12.240 1.00 0.00 N ATOM 0 H LYS A 59 3.457 11.276 8.687 1.00 0.00 H new ATOM 0 HA LYS A 59 6.257 11.632 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.327 9.219 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.576 10.358 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.373 9.582 9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.917 8.732 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.408 7.183 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.077 7.063 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.755 8.515 11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.087 8.540 12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.435 6.628 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.788 5.865 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.035 6.574 12.521 1.00 0.00 H new ATOM 909 N LYS A 60 7.052 10.175 6.422 1.00 0.00 N ATOM 910 CA LYS A 60 7.567 9.643 5.144 1.00 0.00 C ATOM 911 C LYS A 60 7.918 8.143 5.199 1.00 0.00 C ATOM 912 O LYS A 60 8.340 7.557 4.204 1.00 0.00 O ATOM 913 CB LYS A 60 8.733 10.530 4.661 1.00 0.00 C ATOM 914 CG LYS A 60 10.081 10.301 5.359 1.00 0.00 C ATOM 915 CD LYS A 60 11.079 11.412 4.994 1.00 0.00 C ATOM 916 CE LYS A 60 12.483 11.195 5.582 1.00 0.00 C ATOM 917 NZ LYS A 60 13.177 10.020 4.992 1.00 0.00 N ATOM 0 H LYS A 60 7.795 10.414 7.079 1.00 0.00 H new ATOM 0 HA LYS A 60 6.768 9.691 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.867 10.370 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.449 11.574 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.937 10.276 6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.486 9.332 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.155 11.479 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.691 12.368 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.084 12.089 5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.404 11.061 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.193 10.072 5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.781 9.146 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.043 10.020 3.961 1.00 0.00 H new ATOM 931 N ASN A 61 7.747 7.522 6.369 1.00 0.00 N ATOM 932 CA ASN A 61 7.968 6.100 6.630 1.00 0.00 C ATOM 933 C ASN A 61 7.386 5.703 7.992 1.00 0.00 C ATOM 934 O ASN A 61 7.335 6.523 8.911 1.00 0.00 O ATOM 935 CB ASN A 61 9.459 5.708 6.542 1.00 0.00 C ATOM 936 CG ASN A 61 10.313 6.363 7.619 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.646 7.623 7.420 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.665 5.764 8.627 1.00 0.00 N flip ATOM 0 H ASN A 61 7.435 8.024 7.200 1.00 0.00 H new ATOM 0 HA ASN A 61 7.447 5.549 5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.549 4.625 6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.845 5.987 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.396 4.789 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.227 6.240 9.333 1.00 0.00 H new ATOM 945 N THR A 62 6.957 4.446 8.112 1.00 0.00 N ATOM 946 CA THR A 62 6.304 3.870 9.302 1.00 0.00 C ATOM 947 C THR A 62 6.781 2.440 9.547 1.00 0.00 C ATOM 948 O THR A 62 7.633 1.943 8.819 1.00 0.00 O ATOM 949 CB THR A 62 4.783 4.042 9.212 1.00 0.00 C ATOM 950 OG1 THR A 62 4.267 3.920 10.518 1.00 0.00 O ATOM 951 CG2 THR A 62 4.092 3.045 8.278 1.00 0.00 C ATOM 0 H THR A 62 7.056 3.769 7.356 1.00 0.00 H new ATOM 0 HA THR A 62 6.604 4.419 10.195 1.00 0.00 H new ATOM 0 HB THR A 62 4.582 5.022 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.293 4.027 10.496 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.019 3.236 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.486 3.159 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.278 2.030 8.628 1.00 0.00 H new ATOM 959 N GLU A 63 6.277 1.786 10.588 1.00 0.00 N ATOM 960 CA GLU A 63 6.753 0.494 11.079 1.00 0.00 C ATOM 961 C GLU A 63 5.599 -0.491 11.285 1.00 0.00 C ATOM 962 O GLU A 63 4.496 -0.113 11.689 1.00 0.00 O ATOM 963 CB GLU A 63 7.509 0.709 12.396 1.00 0.00 C ATOM 964 CG GLU A 63 8.879 1.337 12.139 1.00 0.00 C ATOM 965 CD GLU A 63 9.656 1.567 13.439 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.270 2.454 14.237 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.678 0.875 13.659 1.00 0.00 O ATOM 0 H GLU A 63 5.497 2.153 11.134 1.00 0.00 H new ATOM 0 HA GLU A 63 7.419 0.062 10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.926 1.353 13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.632 -0.244 12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.457 0.689 11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.751 2.287 11.620 1.00 0.00 H new ATOM 974 N MET A 64 5.876 -1.769 11.019 1.00 0.00 N ATOM 975 CA MET A 64 4.896 -2.860 11.038 1.00 0.00 C ATOM 976 C MET A 64 5.548 -4.216 11.336 1.00 0.00 C ATOM 977 O MET A 64 6.713 -4.453 11.008 1.00 0.00 O ATOM 978 CB MET A 64 4.130 -2.913 9.704 1.00 0.00 C ATOM 979 CG MET A 64 5.079 -2.991 8.503 1.00 0.00 C ATOM 980 SD MET A 64 4.326 -3.526 6.952 1.00 0.00 S ATOM 981 CE MET A 64 5.817 -4.283 6.267 1.00 0.00 C ATOM 0 H MET A 64 6.816 -2.084 10.777 1.00 0.00 H new ATOM 0 HA MET A 64 4.194 -2.654 11.846 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.467 -3.778 9.700 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.500 -2.029 9.612 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.525 -2.008 8.350 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.891 -3.675 8.748 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.687 -4.439 5.196 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.670 -3.626 6.437 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.995 -5.242 6.754 1.00 0.00 H new ATOM 991 N LEU A 65 4.770 -5.113 11.944 1.00 0.00 N ATOM 992 CA LEU A 65 5.151 -6.477 12.301 1.00 0.00 C ATOM 993 C LEU A 65 4.513 -7.471 11.326 1.00 0.00 C ATOM 994 O LEU A 65 3.365 -7.309 10.907 1.00 0.00 O ATOM 995 CB LEU A 65 4.712 -6.756 13.758 1.00 0.00 C ATOM 996 CG LEU A 65 5.742 -7.463 14.657 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.171 -8.850 14.169 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.961 -6.565 14.876 1.00 0.00 C ATOM 0 H LEU A 65 3.811 -4.895 12.213 1.00 0.00 H new ATOM 0 HA LEU A 65 6.232 -6.595 12.233 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.447 -5.807 14.223 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.807 -7.363 13.732 1.00 0.00 H new ATOM 0 HG LEU A 65 5.233 -7.639 15.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.897 -9.272 14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.299 -9.502 14.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.622 -8.764 13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.681 -7.078 15.514 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.424 -6.339 13.915 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.648 -5.637 15.355 1.00 0.00 H new ATOM 1010 N ILE A 66 5.267 -8.513 10.991 1.00 0.00 N ATOM 1011 CA ILE A 66 4.853 -9.596 10.073 1.00 0.00 C ATOM 1012 C ILE A 66 4.856 -10.971 10.774 1.00 0.00 C ATOM 1013 O ILE A 66 4.661 -11.051 11.987 1.00 0.00 O ATOM 1014 CB ILE A 66 5.661 -9.525 8.758 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.154 -9.868 8.969 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.459 -8.144 8.099 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.619 -11.057 8.115 1.00 0.00 C ATOM 0 H ILE A 66 6.211 -8.641 11.355 1.00 0.00 H new ATOM 0 HA ILE A 66 3.812 -9.450 9.784 1.00 0.00 H new ATOM 0 HB ILE A 66 5.282 -10.287 8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.760 -8.995 8.728 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.325 -10.094 10.022 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.030 -8.096 7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.401 -7.996 7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.803 -7.363 8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.675 -11.251 8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.035 -11.941 8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.478 -10.824 7.060 1.00 0.00 H new ATOM 1029 N ALA A 67 5.091 -12.060 10.038 1.00 0.00 N ATOM 1030 CA ALA A 67 5.173 -13.428 10.558 1.00 0.00 C ATOM 1031 C ALA A 67 6.275 -13.673 11.617 1.00 0.00 C ATOM 1032 O ALA A 67 6.227 -14.686 12.320 1.00 0.00 O ATOM 1033 CB ALA A 67 5.397 -14.347 9.350 1.00 0.00 C ATOM 0 H ALA A 67 5.234 -12.012 9.029 1.00 0.00 H new ATOM 0 HA ALA A 67 4.243 -13.632 11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.465 -15.381 9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.562 -14.246 8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.323 -14.068 8.847 1.00 0.00 H new ATOM 1039 N GLY A 68 7.254 -12.766 11.748 1.00 0.00 N ATOM 1040 CA GLY A 68 8.344 -12.875 12.730 1.00 0.00 C ATOM 1041 C GLY A 68 9.374 -11.738 12.751 1.00 0.00 C ATOM 1042 O GLY A 68 10.438 -11.914 13.348 1.00 0.00 O ATOM 0 H GLY A 68 7.312 -11.928 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.900 -12.949 13.723 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.874 -13.810 12.547 1.00 0.00 H new ATOM 1046 N PHE A 69 9.094 -10.598 12.104 1.00 0.00 N ATOM 1047 CA PHE A 69 10.059 -9.517 11.851 1.00 0.00 C ATOM 1048 C PHE A 69 9.389 -8.134 11.810 1.00 0.00 C ATOM 1049 O PHE A 69 8.232 -8.004 11.401 1.00 0.00 O ATOM 1050 CB PHE A 69 10.785 -9.775 10.515 1.00 0.00 C ATOM 1051 CG PHE A 69 11.620 -11.042 10.458 1.00 0.00 C ATOM 1052 CD1 PHE A 69 12.934 -11.039 10.963 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.087 -12.225 9.907 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.711 -12.211 10.918 1.00 0.00 C ATOM 1055 CE2 PHE A 69 11.865 -13.395 9.861 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.178 -13.389 10.365 1.00 0.00 C ATOM 0 H PHE A 69 8.166 -10.396 11.732 1.00 0.00 H new ATOM 0 HA PHE A 69 10.770 -9.514 12.677 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.041 -9.815 9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.433 -8.924 10.303 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.347 -10.135 11.386 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.079 -12.233 9.519 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.718 -12.206 11.309 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.454 -14.300 9.438 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.776 -14.288 10.327 1.00 0.00 H new ATOM 1066 N LEU A 70 10.142 -7.098 12.198 1.00 0.00 N ATOM 1067 CA LEU A 70 9.772 -5.689 12.030 1.00 0.00 C ATOM 1068 C LEU A 70 10.308 -5.204 10.677 1.00 0.00 C ATOM 1069 O LEU A 70 11.509 -5.281 10.409 1.00 0.00 O ATOM 1070 CB LEU A 70 10.359 -4.875 13.205 1.00 0.00 C ATOM 1071 CG LEU A 70 9.816 -3.448 13.457 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.861 -2.513 12.242 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.389 -3.464 14.016 1.00 0.00 C ATOM 0 H LEU A 70 11.049 -7.220 12.649 1.00 0.00 H new ATOM 0 HA LEU A 70 8.690 -5.559 12.038 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.209 -5.453 14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.435 -4.798 13.050 1.00 0.00 H new ATOM 0 HG LEU A 70 10.506 -3.043 14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.460 -1.538 12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.892 -2.400 11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.263 -2.936 11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.050 -2.441 14.177 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.726 -3.959 13.306 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.375 -4.004 14.963 1.00 0.00 H new ATOM 1085 N TYR A 71 9.421 -4.660 9.852 1.00 0.00 N ATOM 1086 CA TYR A 71 9.749 -4.012 8.578 1.00 0.00 C ATOM 1087 C TYR A 71 9.367 -2.520 8.574 1.00 0.00 C ATOM 1088 O TYR A 71 8.282 -2.134 9.016 1.00 0.00 O ATOM 1089 CB TYR A 71 9.095 -4.768 7.419 1.00 0.00 C ATOM 1090 CG TYR A 71 9.567 -6.192 7.168 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.913 -6.576 7.348 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.634 -7.150 6.734 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.309 -7.911 7.136 1.00 0.00 C ATOM 1094 CE2 TYR A 71 9.015 -8.485 6.535 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.359 -8.873 6.735 1.00 0.00 C ATOM 1096 OH TYR A 71 10.750 -10.164 6.555 1.00 0.00 O ATOM 0 H TYR A 71 8.421 -4.655 10.053 1.00 0.00 H new ATOM 0 HA TYR A 71 10.830 -4.052 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.020 -4.794 7.596 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.254 -4.193 6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.644 -5.841 7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.611 -6.854 6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.340 -8.198 7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.281 -9.216 6.229 1.00 0.00 H new ATOM 0 HH TYR A 71 9.980 -10.704 6.280 1.00 0.00 H new ATOM 1106 N VAL A 72 10.287 -1.690 8.079 1.00 0.00 N ATOM 1107 CA VAL A 72 10.142 -0.238 7.941 1.00 0.00 C ATOM 1108 C VAL A 72 9.557 0.060 6.558 1.00 0.00 C ATOM 1109 O VAL A 72 10.225 -0.103 5.536 1.00 0.00 O ATOM 1110 CB VAL A 72 11.485 0.505 8.140 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.295 2.032 8.099 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.159 0.124 9.469 1.00 0.00 C ATOM 0 H VAL A 72 11.192 -2.025 7.749 1.00 0.00 H new ATOM 0 HA VAL A 72 9.472 0.124 8.721 1.00 0.00 H new ATOM 0 HB VAL A 72 12.128 0.198 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.258 2.522 8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.880 2.321 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.612 2.335 8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.098 0.667 9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.500 0.382 10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.357 -0.948 9.483 1.00 0.00 H new ATOM 1122 N ALA A 73 8.295 0.483 6.549 1.00 0.00 N ATOM 1123 CA ALA A 73 7.530 0.864 5.372 1.00 0.00 C ATOM 1124 C ALA A 73 7.852 2.295 4.940 1.00 0.00 C ATOM 1125 O ALA A 73 7.334 3.256 5.506 1.00 0.00 O ATOM 1126 CB ALA A 73 6.047 0.679 5.704 1.00 0.00 C ATOM 0 H ALA A 73 7.754 0.573 7.409 1.00 0.00 H new ATOM 0 HA ALA A 73 7.795 0.233 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.443 0.957 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.858 -0.364 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.782 1.312 6.551 1.00 0.00 H new ATOM 1132 N ASP A 74 8.699 2.437 3.927 1.00 0.00 N ATOM 1133 CA ASP A 74 9.111 3.715 3.355 1.00 0.00 C ATOM 1134 C ASP A 74 8.164 4.147 2.227 1.00 0.00 C ATOM 1135 O ASP A 74 8.068 3.480 1.192 1.00 0.00 O ATOM 1136 CB ASP A 74 10.561 3.595 2.876 1.00 0.00 C ATOM 1137 CG ASP A 74 11.068 4.923 2.308 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.460 5.806 3.103 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.031 5.079 1.067 1.00 0.00 O ATOM 0 H ASP A 74 9.133 1.638 3.465 1.00 0.00 H new ATOM 0 HA ASP A 74 9.056 4.494 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.196 3.285 3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.632 2.820 2.113 1.00 0.00 H new ATOM 1144 N LEU A 75 7.481 5.280 2.436 1.00 0.00 N ATOM 1145 CA LEU A 75 6.552 5.897 1.485 1.00 0.00 C ATOM 1146 C LEU A 75 7.272 6.644 0.349 1.00 0.00 C ATOM 1147 O LEU A 75 6.679 6.824 -0.714 1.00 0.00 O ATOM 1148 CB LEU A 75 5.629 6.868 2.254 1.00 0.00 C ATOM 1149 CG LEU A 75 4.532 6.195 3.109 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.088 7.123 4.251 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.344 5.845 2.214 1.00 0.00 C ATOM 0 H LEU A 75 7.564 5.810 3.304 1.00 0.00 H new ATOM 0 HA LEU A 75 5.973 5.101 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.244 7.490 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.150 7.534 1.536 1.00 0.00 H new ATOM 0 HG LEU A 75 4.933 5.284 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.315 6.630 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.942 7.349 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.691 8.049 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.566 5.370 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.949 6.755 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.668 5.161 1.430 1.00 0.00 H new ATOM 1163 N GLU A 76 8.529 7.060 0.542 1.00 0.00 N ATOM 1164 CA GLU A 76 9.280 7.847 -0.446 1.00 0.00 C ATOM 1165 C GLU A 76 9.602 7.039 -1.713 1.00 0.00 C ATOM 1166 O GLU A 76 9.387 7.498 -2.837 1.00 0.00 O ATOM 1167 CB GLU A 76 10.613 8.347 0.129 1.00 0.00 C ATOM 1168 CG GLU A 76 10.514 9.183 1.405 1.00 0.00 C ATOM 1169 CD GLU A 76 11.737 10.099 1.550 1.00 0.00 C ATOM 1170 OE1 GLU A 76 11.739 11.204 0.959 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.693 9.732 2.272 1.00 0.00 O ATOM 0 H GLU A 76 9.057 6.860 1.391 1.00 0.00 H new ATOM 0 HA GLU A 76 8.633 8.687 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.247 7.484 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.117 8.941 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.604 9.783 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.441 8.526 2.271 1.00 0.00 H new ATOM 1178 N ASN A 77 10.121 5.827 -1.516 1.00 0.00 N ATOM 1179 CA ASN A 77 10.545 4.890 -2.559 1.00 0.00 C ATOM 1180 C ASN A 77 9.481 3.801 -2.807 1.00 0.00 C ATOM 1181 O ASN A 77 9.593 3.038 -3.766 1.00 0.00 O ATOM 1182 CB ASN A 77 11.871 4.235 -2.121 1.00 0.00 C ATOM 1183 CG ASN A 77 13.029 5.210 -1.918 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.945 5.282 -2.731 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.062 5.942 -0.816 1.00 0.00 N ATOM 0 H ASN A 77 10.265 5.453 -0.578 1.00 0.00 H new ATOM 0 HA ASN A 77 10.678 5.438 -3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.703 3.693 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.161 3.498 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.849 6.567 -0.642 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.300 5.882 -0.141 1.00 0.00 H new ATOM 1192 N MET A 78 8.477 3.720 -1.919 1.00 0.00 N ATOM 1193 CA MET A 78 7.465 2.650 -1.821 1.00 0.00 C ATOM 1194 C MET A 78 8.130 1.278 -1.594 1.00 0.00 C ATOM 1195 O MET A 78 8.072 0.404 -2.459 1.00 0.00 O ATOM 1196 CB MET A 78 6.514 2.648 -3.038 1.00 0.00 C ATOM 1197 CG MET A 78 5.675 3.928 -3.178 1.00 0.00 C ATOM 1198 SD MET A 78 3.908 3.747 -2.804 1.00 0.00 S ATOM 1199 CE MET A 78 3.985 3.517 -1.014 1.00 0.00 C ATOM 0 H MET A 78 8.340 4.439 -1.209 1.00 0.00 H new ATOM 0 HA MET A 78 6.846 2.856 -0.948 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.102 2.510 -3.945 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.843 1.793 -2.960 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.092 4.689 -2.519 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.777 4.299 -4.198 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.092 3.941 -0.554 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.041 2.453 -0.786 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.869 4.019 -0.620 1.00 0.00 H new ATOM 1209 N VAL A 79 8.765 1.068 -0.435 1.00 0.00 N ATOM 1210 CA VAL A 79 9.539 -0.165 -0.151 1.00 0.00 C ATOM 1211 C VAL A 79 9.507 -0.593 1.322 1.00 0.00 C ATOM 1212 O VAL A 79 9.287 0.222 2.212 1.00 0.00 O ATOM 1213 CB VAL A 79 11.019 -0.066 -0.608 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.195 0.159 -2.118 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.788 1.015 0.165 1.00 0.00 C ATOM 0 H VAL A 79 8.762 1.738 0.334 1.00 0.00 H new ATOM 0 HA VAL A 79 9.030 -0.929 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 79 11.440 -1.045 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.257 0.217 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.745 -0.670 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.707 1.090 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.819 1.050 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.316 1.984 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.776 0.780 1.229 1.00 0.00 H new ATOM 1225 N GLN A 80 9.768 -1.879 1.567 1.00 0.00 N ATOM 1226 CA GLN A 80 9.940 -2.497 2.879 1.00 0.00 C ATOM 1227 C GLN A 80 11.370 -2.997 3.078 1.00 0.00 C ATOM 1228 O GLN A 80 11.954 -3.592 2.173 1.00 0.00 O ATOM 1229 CB GLN A 80 8.998 -3.708 2.983 1.00 0.00 C ATOM 1230 CG GLN A 80 7.522 -3.327 2.876 1.00 0.00 C ATOM 1231 CD GLN A 80 7.030 -2.443 4.012 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.738 -2.163 4.967 1.00 0.00 O ATOM 1233 NE2 GLN A 80 5.796 -1.992 3.966 1.00 0.00 N ATOM 0 H GLN A 80 9.870 -2.554 0.809 1.00 0.00 H new ATOM 0 HA GLN A 80 9.717 -1.747 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.242 -4.420 2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.169 -4.214 3.933 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.358 -2.811 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.923 -4.237 2.851 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.198 -2.221 3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.436 -1.413 4.724 1.00 0.00 H new ATOM 1242 N TYR A 81 11.906 -2.814 4.286 1.00 0.00 N ATOM 1243 CA TYR A 81 13.191 -3.371 4.729 1.00 0.00 C ATOM 1244 C TYR A 81 13.247 -3.562 6.254 1.00 0.00 C ATOM 1245 O TYR A 81 12.560 -2.861 7.002 1.00 0.00 O ATOM 1246 CB TYR A 81 14.354 -2.501 4.217 1.00 0.00 C ATOM 1247 CG TYR A 81 14.211 -0.999 4.406 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.375 -0.407 5.675 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.938 -0.183 3.289 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.284 0.991 5.823 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.848 1.212 3.428 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.018 1.807 4.698 1.00 0.00 C ATOM 1253 OH TYR A 81 13.933 3.160 4.832 1.00 0.00 O ATOM 0 H TYR A 81 11.446 -2.258 5.007 1.00 0.00 H new ATOM 0 HA TYR A 81 13.292 -4.366 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.267 -2.823 4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.487 -2.700 3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.571 -1.028 6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.797 -0.634 2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.417 1.440 6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.649 1.829 2.564 1.00 0.00 H new ATOM 0 HH TYR A 81 13.746 3.564 3.959 1.00 0.00 H new ATOM 1263 N ARG A 82 14.069 -4.505 6.728 1.00 0.00 N ATOM 1264 CA ARG A 82 14.323 -4.729 8.161 1.00 0.00 C ATOM 1265 C ARG A 82 15.180 -3.591 8.738 1.00 0.00 C ATOM 1266 O ARG A 82 16.117 -3.143 8.076 1.00 0.00 O ATOM 1267 CB ARG A 82 14.983 -6.112 8.327 1.00 0.00 C ATOM 1268 CG ARG A 82 15.089 -6.556 9.795 1.00 0.00 C ATOM 1269 CD ARG A 82 15.678 -7.968 9.895 1.00 0.00 C ATOM 1270 NE ARG A 82 15.815 -8.389 11.301 1.00 0.00 N ATOM 1271 CZ ARG A 82 16.432 -9.481 11.739 1.00 0.00 C ATOM 1272 NH1 ARG A 82 16.999 -10.340 10.918 1.00 0.00 N ATOM 1273 NH2 ARG A 82 16.487 -9.726 13.030 1.00 0.00 N ATOM 0 H ARG A 82 14.584 -5.143 6.122 1.00 0.00 H new ATOM 0 HA ARG A 82 13.389 -4.724 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.408 -6.852 7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.980 -6.087 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.716 -5.856 10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.103 -6.535 10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.037 -8.671 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.653 -7.994 9.408 1.00 0.00 H new ATOM 0 HE ARG A 82 15.395 -7.783 12.006 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.973 -10.177 9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.464 -11.169 11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.057 -9.079 13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.960 -10.563 13.371 1.00 0.00 H new ATOM 1287 N ARG A 83 14.893 -3.139 9.968 1.00 0.00 N ATOM 1288 CA ARG A 83 15.531 -1.966 10.616 1.00 0.00 C ATOM 1289 C ARG A 83 17.072 -1.929 10.532 1.00 0.00 C ATOM 1290 O ARG A 83 17.650 -0.854 10.373 1.00 0.00 O ATOM 1291 CB ARG A 83 15.123 -1.901 12.099 1.00 0.00 C ATOM 1292 CG ARG A 83 13.687 -1.395 12.317 1.00 0.00 C ATOM 1293 CD ARG A 83 13.254 -1.486 13.792 1.00 0.00 C ATOM 1294 NE ARG A 83 14.188 -0.792 14.702 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.150 0.478 15.090 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.180 1.301 14.756 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.122 0.951 15.840 1.00 0.00 N ATOM 0 H ARG A 83 14.194 -3.586 10.561 1.00 0.00 H new ATOM 0 HA ARG A 83 15.170 -1.105 10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.221 -2.894 12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.815 -1.247 12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.614 -0.360 11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.001 -1.978 11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.259 -1.056 13.902 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.182 -2.534 14.082 1.00 0.00 H new ATOM 0 HE ARG A 83 14.952 -1.354 15.077 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.410 0.972 14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.197 2.268 15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.894 0.344 16.117 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.104 1.924 16.144 1.00 0.00 H new ATOM 1311 N ASN A 84 17.734 -3.089 10.621 1.00 0.00 N ATOM 1312 CA ASN A 84 19.200 -3.219 10.615 1.00 0.00 C ATOM 1313 C ASN A 84 19.802 -3.566 9.228 1.00 0.00 C ATOM 1314 O ASN A 84 21.025 -3.631 9.090 1.00 0.00 O ATOM 1315 CB ASN A 84 19.582 -4.248 11.692 1.00 0.00 C ATOM 1316 CG ASN A 84 21.065 -4.183 12.054 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.564 -3.173 12.538 1.00 0.00 O ATOM 1318 ND2 ASN A 84 21.808 -5.253 11.840 1.00 0.00 N ATOM 0 H ASN A 84 17.255 -3.986 10.701 1.00 0.00 H new ATOM 0 HA ASN A 84 19.635 -2.246 10.844 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.984 -4.074 12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.340 -5.250 11.337 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.800 -5.241 12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.390 -6.092 11.437 1.00 0.00 H new ATOM 1325 N GLU A 85 18.972 -3.809 8.206 1.00 0.00 N ATOM 1326 CA GLU A 85 19.394 -4.254 6.873 1.00 0.00 C ATOM 1327 C GLU A 85 19.365 -3.095 5.863 1.00 0.00 C ATOM 1328 O GLU A 85 18.303 -2.633 5.448 1.00 0.00 O ATOM 1329 CB GLU A 85 18.520 -5.442 6.433 1.00 0.00 C ATOM 1330 CG GLU A 85 18.958 -6.007 5.076 1.00 0.00 C ATOM 1331 CD GLU A 85 18.343 -7.380 4.775 1.00 0.00 C ATOM 1332 OE1 GLU A 85 17.148 -7.614 5.066 1.00 0.00 O ATOM 1333 OE2 GLU A 85 19.046 -8.235 4.193 1.00 0.00 O ATOM 0 H GLU A 85 17.961 -3.698 8.286 1.00 0.00 H new ATOM 0 HA GLU A 85 20.430 -4.592 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.571 -6.228 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.479 -5.124 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.676 -5.308 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.045 -6.089 5.056 1.00 0.00 H new ATOM 1340 N HIS A 86 20.547 -2.640 5.441 1.00 0.00 N ATOM 1341 CA HIS A 86 20.729 -1.581 4.440 1.00 0.00 C ATOM 1342 C HIS A 86 20.889 -2.124 2.998 1.00 0.00 C ATOM 1343 O HIS A 86 20.627 -1.412 2.023 1.00 0.00 O ATOM 1344 CB HIS A 86 21.949 -0.772 4.905 1.00 0.00 C ATOM 1345 CG HIS A 86 22.433 0.253 3.916 1.00 0.00 C ATOM 1346 ND1 HIS A 86 21.920 1.540 3.739 1.00 0.00 N ATOM 1347 CD2 HIS A 86 23.453 0.050 3.038 1.00 0.00 C ATOM 1348 CE1 HIS A 86 22.651 2.080 2.749 1.00 0.00 C ATOM 1349 NE2 HIS A 86 23.580 1.211 2.307 1.00 0.00 N ATOM 0 H HIS A 86 21.430 -3.007 5.795 1.00 0.00 H new ATOM 0 HA HIS A 86 19.839 -0.954 4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 86 21.700 -0.268 5.839 1.00 0.00 H new ATOM 0 HB3 HIS A 86 22.765 -1.462 5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 86 24.047 -0.846 2.935 1.00 0.00 H new ATOM 0 HE1 HIS A 86 22.512 3.078 2.360 1.00 0.00 H new ATOM 0 HE2 HIS A 86 24.257 1.382 1.563 1.00 0.00 H new ATOM 1357 N GLY A 87 21.303 -3.392 2.857 1.00 0.00 N ATOM 1358 CA GLY A 87 21.690 -4.016 1.580 1.00 0.00 C ATOM 1359 C GLY A 87 20.530 -4.491 0.695 1.00 0.00 C ATOM 1360 O GLY A 87 20.766 -4.797 -0.476 1.00 0.00 O ATOM 0 H GLY A 87 21.380 -4.030 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 87 22.287 -3.301 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 87 22.333 -4.870 1.794 1.00 0.00 H new ATOM 1364 N ARG A 88 19.300 -4.543 1.222 1.00 0.00 N ATOM 1365 CA ARG A 88 18.091 -4.995 0.516 1.00 0.00 C ATOM 1366 C ARG A 88 16.844 -4.167 0.835 1.00 0.00 C ATOM 1367 O ARG A 88 16.787 -3.462 1.844 1.00 0.00 O ATOM 1368 CB ARG A 88 17.760 -6.441 0.905 1.00 0.00 C ATOM 1369 CG ARG A 88 18.826 -7.457 0.497 1.00 0.00 C ATOM 1370 CD ARG A 88 18.233 -8.863 0.564 1.00 0.00 C ATOM 1371 NE ARG A 88 17.694 -9.169 1.903 1.00 0.00 N ATOM 1372 CZ ARG A 88 16.528 -9.731 2.197 1.00 0.00 C ATOM 1373 NH1 ARG A 88 15.772 -10.315 1.293 1.00 0.00 N ATOM 1374 NH2 ARG A 88 16.103 -9.692 3.436 1.00 0.00 N ATOM 0 H ARG A 88 19.111 -4.262 2.184 1.00 0.00 H new ATOM 0 HA ARG A 88 18.326 -4.889 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.619 -6.492 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.812 -6.721 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.179 -7.246 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.689 -7.382 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 88 17.440 -8.958 -0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.000 -9.593 0.306 1.00 0.00 H new ATOM 0 HE ARG A 88 18.286 -8.920 2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 88 16.075 -10.349 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.883 -10.734 1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.666 -9.236 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.210 -10.118 3.682 1.00 0.00 H new ATOM 1388 N ARG A 89 15.828 -4.355 -0.013 1.00 0.00 N ATOM 1389 CA ARG A 89 14.439 -3.889 0.141 1.00 0.00 C ATOM 1390 C ARG A 89 13.477 -4.587 -0.843 1.00 0.00 C ATOM 1391 O ARG A 89 13.910 -5.068 -1.892 1.00 0.00 O ATOM 1392 CB ARG A 89 14.371 -2.357 0.027 1.00 0.00 C ATOM 1393 CG ARG A 89 14.656 -1.827 -1.387 1.00 0.00 C ATOM 1394 CD ARG A 89 15.207 -0.403 -1.309 1.00 0.00 C ATOM 1395 NE ARG A 89 15.300 0.217 -2.642 1.00 0.00 N ATOM 1396 CZ ARG A 89 15.267 1.516 -2.926 1.00 0.00 C ATOM 1397 NH1 ARG A 89 15.206 2.444 -1.992 1.00 0.00 N ATOM 1398 NH2 ARG A 89 15.292 1.912 -4.180 1.00 0.00 N ATOM 0 H ARG A 89 15.959 -4.870 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 89 14.102 -4.167 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.381 -2.022 0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.088 -1.918 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.372 -2.476 -1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.742 -1.840 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.564 0.202 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.193 -0.419 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 89 15.401 -0.419 -3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.182 2.176 -1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.182 3.430 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.337 1.224 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.267 2.907 -4.401 1.00 0.00 H new ATOM 1412 N ARG A 90 12.181 -4.619 -0.513 1.00 0.00 N ATOM 1413 CA ARG A 90 11.089 -5.192 -1.325 1.00 0.00 C ATOM 1414 C ARG A 90 10.074 -4.108 -1.706 1.00 0.00 C ATOM 1415 O ARG A 90 9.570 -3.406 -0.832 1.00 0.00 O ATOM 1416 CB ARG A 90 10.384 -6.315 -0.542 1.00 0.00 C ATOM 1417 CG ARG A 90 11.219 -7.602 -0.463 1.00 0.00 C ATOM 1418 CD ARG A 90 10.503 -8.657 0.393 1.00 0.00 C ATOM 1419 NE ARG A 90 11.189 -9.957 0.341 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.056 -10.901 -0.578 1.00 0.00 C ATOM 1421 NH1 ARG A 90 10.223 -10.809 -1.592 1.00 0.00 N ATOM 1422 NH2 ARG A 90 11.800 -11.972 -0.456 1.00 0.00 N ATOM 0 H ARG A 90 11.844 -4.229 0.367 1.00 0.00 H new ATOM 0 HA ARG A 90 11.518 -5.605 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.166 -5.966 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.428 -6.537 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.390 -7.994 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.197 -7.382 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.452 -8.314 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.477 -8.773 0.045 1.00 0.00 H new ATOM 0 HE ARG A 90 11.842 -10.154 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.639 -9.980 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.161 -11.567 -2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.451 -12.055 0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.729 -12.723 -1.142 1.00 0.00 H new ATOM 1436 N LYS A 91 9.765 -3.971 -2.997 1.00 0.00 N ATOM 1437 CA LYS A 91 8.801 -2.996 -3.533 1.00 0.00 C ATOM 1438 C LYS A 91 7.350 -3.266 -3.091 1.00 0.00 C ATOM 1439 O LYS A 91 6.922 -4.420 -2.976 1.00 0.00 O ATOM 1440 CB LYS A 91 8.926 -2.978 -5.075 1.00 0.00 C ATOM 1441 CG LYS A 91 9.468 -1.657 -5.648 1.00 0.00 C ATOM 1442 CD LYS A 91 8.437 -0.517 -5.681 1.00 0.00 C ATOM 1443 CE LYS A 91 7.341 -0.730 -6.736 1.00 0.00 C ATOM 1444 NZ LYS A 91 6.227 0.242 -6.569 1.00 0.00 N ATOM 0 H LYS A 91 10.188 -4.550 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 91 9.046 -2.016 -3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.582 -3.792 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.946 -3.175 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.325 -1.340 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.830 -1.834 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.975 -0.424 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.950 0.424 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.769 -0.626 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.953 -1.746 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.582 0.173 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.707 0.027 -5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.613 1.206 -6.514 1.00 0.00 H new ATOM 1458 N ILE A 92 6.579 -2.191 -2.892 1.00 0.00 N ATOM 1459 CA ILE A 92 5.147 -2.223 -2.528 1.00 0.00 C ATOM 1460 C ILE A 92 4.319 -1.281 -3.410 1.00 0.00 C ATOM 1461 O ILE A 92 4.868 -0.454 -4.141 1.00 0.00 O ATOM 1462 CB ILE A 92 4.939 -1.960 -1.013 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.186 -0.490 -0.618 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.789 -2.947 -0.210 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.477 -0.229 0.867 1.00 0.00 C ATOM 0 H ILE A 92 6.941 -1.241 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 92 4.778 -3.230 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 92 3.890 -2.131 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.025 -0.114 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.311 0.094 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.647 -2.767 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.486 -3.966 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.840 -2.812 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.634 0.838 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.632 -0.564 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.372 -0.775 1.164 1.00 0.00 H new ATOM 1477 N LYS A 93 2.996 -1.428 -3.351 1.00 0.00 N ATOM 1478 CA LYS A 93 2.021 -0.660 -4.135 1.00 0.00 C ATOM 1479 C LYS A 93 0.635 -0.605 -3.461 1.00 0.00 C ATOM 1480 O LYS A 93 0.347 -1.388 -2.552 1.00 0.00 O ATOM 1481 CB LYS A 93 1.942 -1.230 -5.572 1.00 0.00 C ATOM 1482 CG LYS A 93 1.258 -2.608 -5.652 1.00 0.00 C ATOM 1483 CD LYS A 93 1.222 -3.135 -7.093 1.00 0.00 C ATOM 1484 CE LYS A 93 0.444 -4.458 -7.147 1.00 0.00 C ATOM 1485 NZ LYS A 93 0.392 -5.012 -8.525 1.00 0.00 N ATOM 0 H LYS A 93 2.554 -2.110 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 93 2.366 0.373 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.399 -0.527 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.950 -1.310 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.790 -3.317 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.242 -2.534 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.752 -2.400 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.237 -3.285 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.913 -5.183 -6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.570 -4.298 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.591 -5.253 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.749 -4.304 -9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.981 -5.867 -8.578 1.00 0.00 H new ATOM 1499 N ARG A 94 -0.232 0.289 -3.946 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.662 0.345 -3.609 1.00 0.00 C ATOM 1501 C ARG A 94 -2.521 -0.186 -4.764 1.00 0.00 C ATOM 1502 O ARG A 94 -2.137 -0.097 -5.932 1.00 0.00 O ATOM 1503 CB ARG A 94 -2.102 1.779 -3.284 1.00 0.00 C ATOM 1504 CG ARG A 94 -1.490 2.344 -1.996 1.00 0.00 C ATOM 1505 CD ARG A 94 -2.120 3.719 -1.733 1.00 0.00 C ATOM 1506 NE ARG A 94 -1.538 4.400 -0.569 1.00 0.00 N ATOM 1507 CZ ARG A 94 -0.433 5.133 -0.549 1.00 0.00 C ATOM 1508 NH1 ARG A 94 0.394 5.197 -1.574 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -0.150 5.837 0.519 1.00 0.00 N ATOM 0 H ARG A 94 0.048 1.016 -4.604 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.806 -0.283 -2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.832 2.428 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.188 1.804 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.678 1.672 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.408 2.434 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.993 4.346 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.192 3.598 -1.579 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.035 4.299 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.194 4.670 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.233 5.774 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.777 5.818 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.697 6.405 0.546 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.710 -0.685 -4.437 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.775 -1.041 -5.379 1.00 0.00 C ATOM 1525 C ASP A 95 -6.166 -0.791 -4.760 1.00 0.00 C ATOM 1526 O ASP A 95 -6.284 -0.335 -3.621 1.00 0.00 O ATOM 1527 CB ASP A 95 -4.622 -2.500 -5.852 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.887 -2.649 -7.360 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.965 -2.209 -7.822 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -4.021 -3.211 -8.072 1.00 0.00 O ATOM 0 H ASP A 95 -3.972 -0.861 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.685 -0.398 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.615 -2.851 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -5.314 -3.135 -5.298 1.00 0.00 H new ATOM 1535 N ILE A 96 -7.220 -1.093 -5.515 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.625 -0.838 -5.171 1.00 0.00 C ATOM 1537 C ILE A 96 -9.443 -2.119 -5.334 1.00 0.00 C ATOM 1538 O ILE A 96 -9.303 -2.854 -6.314 1.00 0.00 O ATOM 1539 CB ILE A 96 -9.197 0.283 -6.066 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.377 1.589 -5.997 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.673 0.578 -5.716 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.448 2.281 -4.636 1.00 0.00 C ATOM 0 H ILE A 96 -7.118 -1.542 -6.425 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.683 -0.515 -4.131 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.133 -0.091 -7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.335 1.368 -6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.736 2.275 -6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.049 1.371 -6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.269 -0.323 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.744 0.894 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.849 3.191 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.484 2.534 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.062 1.612 -3.867 1.00 0.00 H new ATOM 1554 N ILE A 97 -10.332 -2.360 -4.375 1.00 0.00 N ATOM 1555 CA ILE A 97 -11.339 -3.430 -4.438 1.00 0.00 C ATOM 1556 C ILE A 97 -12.625 -2.907 -5.082 1.00 0.00 C ATOM 1557 O ILE A 97 -13.063 -1.795 -4.786 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.640 -4.002 -3.043 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -10.382 -4.507 -2.317 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.673 -5.133 -3.150 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.688 -3.403 -1.509 1.00 0.00 C ATOM 0 H ILE A 97 -10.379 -1.812 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.933 -4.236 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 97 -12.043 -3.183 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.655 -5.324 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.682 -4.912 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.880 -5.532 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.594 -4.744 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.279 -5.927 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.806 -3.812 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.388 -2.596 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.376 -3.015 -0.758 1.00 0.00 H new ATOM 1573 N ASP A 98 -13.264 -3.735 -5.912 1.00 0.00 N ATOM 1574 CA ASP A 98 -14.497 -3.387 -6.635 1.00 0.00 C ATOM 1575 C ASP A 98 -15.795 -3.966 -6.027 1.00 0.00 C ATOM 1576 O ASP A 98 -16.860 -3.380 -6.224 1.00 0.00 O ATOM 1577 CB ASP A 98 -14.326 -3.806 -8.103 1.00 0.00 C ATOM 1578 CG ASP A 98 -15.461 -3.302 -9.010 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -15.587 -2.067 -9.186 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -16.190 -4.146 -9.585 1.00 0.00 O ATOM 0 H ASP A 98 -12.937 -4.681 -6.106 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.631 -2.309 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.375 -3.425 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.278 -4.893 -8.161 1.00 0.00 H new ATOM 1585 N ILE A 99 -15.690 -5.061 -5.257 1.00 0.00 N ATOM 1586 CA ILE A 99 -16.759 -5.772 -4.504 1.00 0.00 C ATOM 1587 C ILE A 99 -17.709 -6.567 -5.444 1.00 0.00 C ATOM 1588 O ILE A 99 -18.236 -6.000 -6.408 1.00 0.00 O ATOM 1589 CB ILE A 99 -17.541 -4.824 -3.548 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.626 -4.010 -2.601 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -18.605 -5.570 -2.719 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.880 -4.830 -1.539 1.00 0.00 C ATOM 0 H ILE A 99 -14.786 -5.516 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 99 -16.256 -6.504 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 99 -18.041 -4.120 -4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.892 -3.475 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -17.232 -3.258 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.121 -4.863 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.325 -6.039 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -18.122 -6.335 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.268 -4.165 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.601 -5.344 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -15.240 -5.564 -2.029 1.00 0.00 H new