USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 62 THR OG1 : rot 70:sc= -0.55! USER MOD Set 1.2: A 73 GLN : amide:sc= 1.54 K(o=0.99,f=-9.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0518 K(o=-0.052,f=-2.2) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 13:sc= 0.417! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.567 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.27) USER MOD Single : A 92 LYS NZ :NH3+ -117:sc= 0.737 (180deg=-2.7!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot -165:sc= 1.36 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 98 ASN : amide:sc= -2.81! C(o=-2.8!,f=-8.9!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.36) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.3) USER MOD Single : A 115 TYR OH : rot -140:sc= 1.05 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -15.907 -2.493 -0.751 1.00 0.00 N ATOM 230 CA TYR A 59 -14.570 -2.479 -1.337 1.00 0.00 C ATOM 231 C TYR A 59 -13.628 -1.587 -0.522 1.00 0.00 C ATOM 232 O TYR A 59 -13.952 -1.183 0.596 1.00 0.00 O ATOM 233 CB TYR A 59 -14.646 -1.984 -2.791 1.00 0.00 C ATOM 234 CG TYR A 59 -14.664 -3.093 -3.822 1.00 0.00 C ATOM 235 CD1 TYR A 59 -15.382 -4.263 -3.605 1.00 0.00 C ATOM 236 CD2 TYR A 59 -13.958 -2.971 -5.013 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.396 -5.278 -4.544 1.00 0.00 C ATOM 238 CE2 TYR A 59 -13.969 -3.983 -5.957 1.00 0.00 C ATOM 239 CZ TYR A 59 -14.689 -5.132 -5.717 1.00 0.00 C ATOM 240 OH TYR A 59 -14.700 -6.140 -6.652 1.00 0.00 O ATOM 0 HA TYR A 59 -14.172 -3.494 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.544 -1.377 -2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.793 -1.334 -2.987 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.939 -4.382 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.392 -2.072 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.959 -6.181 -4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.415 -3.872 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.153 -5.878 -7.422 1.00 0.00 H new ATOM 250 N CYS A 60 -12.468 -1.265 -1.092 1.00 0.00 N ATOM 251 CA CYS A 60 -11.498 -0.400 -0.420 1.00 0.00 C ATOM 252 C CYS A 60 -11.385 0.941 -1.144 1.00 0.00 C ATOM 253 O CYS A 60 -12.114 1.200 -2.102 1.00 0.00 O ATOM 254 CB CYS A 60 -10.127 -1.074 -0.335 1.00 0.00 C ATOM 255 SG CYS A 60 -9.191 -0.638 1.161 1.00 0.00 S ATOM 0 H CYS A 60 -12.177 -1.588 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.853 -0.222 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.261 -2.155 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.542 -0.799 -1.212 1.00 0.00 H new ATOM 260 N ASN A 61 -10.473 1.789 -0.684 1.00 0.00 N ATOM 261 CA ASN A 61 -10.273 3.105 -1.292 1.00 0.00 C ATOM 262 C ASN A 61 -8.798 3.363 -1.602 1.00 0.00 C ATOM 263 O ASN A 61 -7.915 3.010 -0.813 1.00 0.00 O ATOM 264 CB ASN A 61 -10.817 4.202 -0.370 1.00 0.00 C ATOM 265 CG ASN A 61 -10.856 5.562 -1.042 1.00 0.00 C ATOM 266 OD1 ASN A 61 -10.842 5.662 -2.267 1.00 0.00 O ATOM 267 ND2 ASN A 61 -10.901 6.620 -0.248 1.00 0.00 N ATOM 0 H ASN A 61 -9.859 1.592 0.107 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.820 3.122 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.822 3.933 -0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.197 4.260 0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.925 7.558 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.911 6.498 0.765 1.00 0.00 H new ATOM 274 N THR A 62 -8.549 3.987 -2.759 1.00 0.00 N ATOM 275 CA THR A 62 -7.190 4.313 -3.199 1.00 0.00 C ATOM 276 C THR A 62 -6.544 5.349 -2.285 1.00 0.00 C ATOM 277 O THR A 62 -6.723 6.555 -2.470 1.00 0.00 O ATOM 278 CB THR A 62 -7.188 4.835 -4.643 1.00 0.00 C ATOM 279 OG1 THR A 62 -7.825 3.925 -5.521 1.00 0.00 O ATOM 280 CG2 THR A 62 -5.797 5.074 -5.188 1.00 0.00 C ATOM 0 H THR A 62 -9.278 4.278 -3.411 1.00 0.00 H new ATOM 0 HA THR A 62 -6.609 3.392 -3.152 1.00 0.00 H new ATOM 0 HB THR A 62 -7.726 5.782 -4.597 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.787 3.910 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.866 5.442 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.286 5.813 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.236 4.140 -5.175 1.00 0.00 H new ATOM 288 N THR A 63 -5.787 4.876 -1.304 1.00 0.00 N ATOM 289 CA THR A 63 -5.108 5.772 -0.369 1.00 0.00 C ATOM 290 C THR A 63 -3.593 5.583 -0.405 1.00 0.00 C ATOM 291 O THR A 63 -3.055 4.861 -1.252 1.00 0.00 O ATOM 292 CB THR A 63 -5.623 5.561 1.058 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.119 6.575 1.911 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.225 4.230 1.657 1.00 0.00 C ATOM 0 H THR A 63 -5.626 3.883 -1.133 1.00 0.00 H new ATOM 0 HA THR A 63 -5.331 6.792 -0.682 1.00 0.00 H new ATOM 0 HB THR A 63 -6.710 5.591 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.454 6.434 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.625 4.152 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.625 3.421 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.138 4.156 1.690 1.00 0.00 H new ATOM 302 N LEU A 64 -2.915 6.233 0.534 1.00 0.00 N ATOM 303 CA LEU A 64 -1.466 6.152 0.647 1.00 0.00 C ATOM 304 C LEU A 64 -1.063 5.878 2.094 1.00 0.00 C ATOM 305 O LEU A 64 -1.729 6.322 3.030 1.00 0.00 O ATOM 306 CB LEU A 64 -0.818 7.449 0.151 1.00 0.00 C ATOM 307 CG LEU A 64 0.699 7.385 -0.047 1.00 0.00 C ATOM 308 CD1 LEU A 64 1.071 7.767 -1.471 1.00 0.00 C ATOM 309 CD2 LEU A 64 1.406 8.294 0.943 1.00 0.00 C ATOM 0 H LEU A 64 -3.354 6.829 1.236 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.115 5.329 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.280 7.729 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.042 8.244 0.862 1.00 0.00 H new ATOM 0 HG LEU A 64 1.022 6.359 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.153 7.715 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.595 7.078 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.732 8.782 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.483 8.235 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.074 9.322 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.169 7.979 1.959 1.00 0.00 H new ATOM 321 N ASP A 65 0.023 5.143 2.263 1.00 0.00 N ATOM 322 CA ASP A 65 0.528 4.798 3.590 1.00 0.00 C ATOM 323 C ASP A 65 1.661 5.754 3.993 1.00 0.00 C ATOM 324 O ASP A 65 2.092 6.580 3.188 1.00 0.00 O ATOM 325 CB ASP A 65 1.009 3.339 3.565 1.00 0.00 C ATOM 326 CG ASP A 65 1.644 2.888 4.858 1.00 0.00 C ATOM 327 OD1 ASP A 65 0.901 2.616 5.823 1.00 0.00 O ATOM 328 OD2 ASP A 65 2.888 2.797 4.897 1.00 0.00 O ATOM 0 H ASP A 65 0.579 4.769 1.494 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.263 4.900 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.162 2.690 3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.728 3.216 2.755 1.00 0.00 H new ATOM 333 N GLN A 66 2.140 5.640 5.236 1.00 0.00 N ATOM 334 CA GLN A 66 3.228 6.490 5.726 1.00 0.00 C ATOM 335 C GLN A 66 4.353 6.593 4.688 1.00 0.00 C ATOM 336 O GLN A 66 4.944 7.657 4.505 1.00 0.00 O ATOM 337 CB GLN A 66 3.778 5.933 7.045 1.00 0.00 C ATOM 338 CG GLN A 66 4.602 6.936 7.841 1.00 0.00 C ATOM 339 CD GLN A 66 5.793 6.301 8.527 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.650 5.615 9.534 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.981 6.520 7.983 1.00 0.00 N ATOM 0 H GLN A 66 1.791 4.968 5.920 1.00 0.00 H new ATOM 0 HA GLN A 66 2.829 7.490 5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.945 5.592 7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.394 5.060 6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.950 7.725 7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.967 7.409 8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.060 7.096 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.817 6.112 8.402 1.00 0.00 H new ATOM 350 N ILE A 67 4.633 5.479 4.005 1.00 0.00 N ATOM 351 CA ILE A 67 5.668 5.437 2.981 1.00 0.00 C ATOM 352 C ILE A 67 5.085 5.722 1.589 1.00 0.00 C ATOM 353 O ILE A 67 3.886 5.547 1.357 1.00 0.00 O ATOM 354 CB ILE A 67 6.383 4.068 2.967 1.00 0.00 C ATOM 355 CG1 ILE A 67 5.467 2.988 2.395 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.844 3.685 4.367 1.00 0.00 C ATOM 357 CD1 ILE A 67 5.883 2.514 1.021 1.00 0.00 C ATOM 0 H ILE A 67 4.151 4.592 4.148 1.00 0.00 H new ATOM 0 HA ILE A 67 6.393 6.213 3.226 1.00 0.00 H new ATOM 0 HB ILE A 67 7.261 4.152 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.452 2.137 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.449 3.374 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.345 2.717 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.536 4.439 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.981 3.624 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.189 1.748 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.871 3.354 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.889 2.098 1.069 1.00 0.00 H new ATOM 369 N GLY A 68 5.943 6.159 0.663 1.00 0.00 N ATOM 370 CA GLY A 68 5.497 6.462 -0.695 1.00 0.00 C ATOM 371 C GLY A 68 4.917 5.253 -1.413 1.00 0.00 C ATOM 372 O GLY A 68 5.634 4.538 -2.117 1.00 0.00 O ATOM 0 H GLY A 68 6.938 6.309 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.745 7.251 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.338 6.850 -1.270 1.00 0.00 H new ATOM 376 N THR A 69 3.620 5.014 -1.230 1.00 0.00 N ATOM 377 CA THR A 69 2.952 3.874 -1.863 1.00 0.00 C ATOM 378 C THR A 69 1.429 4.037 -1.838 1.00 0.00 C ATOM 379 O THR A 69 0.840 4.319 -0.791 1.00 0.00 O ATOM 380 CB THR A 69 3.366 2.567 -1.169 1.00 0.00 C ATOM 381 OG1 THR A 69 4.652 2.143 -1.615 1.00 0.00 O ATOM 382 CG2 THR A 69 2.406 1.421 -1.406 1.00 0.00 C ATOM 0 H THR A 69 3.010 5.591 -0.651 1.00 0.00 H new ATOM 0 HA THR A 69 3.264 3.835 -2.907 1.00 0.00 H new ATOM 0 HB THR A 69 3.368 2.803 -0.105 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.085 2.872 -2.107 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.764 0.533 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.419 1.689 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.343 1.214 -2.474 1.00 0.00 H new ATOM 390 N CYS A 70 0.801 3.860 -3.002 1.00 0.00 N ATOM 391 CA CYS A 70 -0.652 3.993 -3.130 1.00 0.00 C ATOM 392 C CYS A 70 -1.353 2.634 -3.082 1.00 0.00 C ATOM 393 O CYS A 70 -0.881 1.658 -3.668 1.00 0.00 O ATOM 394 CB CYS A 70 -1.013 4.697 -4.442 1.00 0.00 C ATOM 395 SG CYS A 70 -0.237 6.333 -4.658 1.00 0.00 S ATOM 0 H CYS A 70 1.278 3.623 -3.872 1.00 0.00 H new ATOM 0 HA CYS A 70 -0.994 4.589 -2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.722 4.058 -5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.096 4.813 -4.492 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.604 6.841 -5.797 1.00 0.00 H new ATOM 400 N TRP A 71 -2.490 2.590 -2.392 1.00 0.00 N ATOM 401 CA TRP A 71 -3.285 1.367 -2.270 1.00 0.00 C ATOM 402 C TRP A 71 -4.697 1.613 -2.813 1.00 0.00 C ATOM 403 O TRP A 71 -5.557 2.131 -2.102 1.00 0.00 O ATOM 404 CB TRP A 71 -3.328 0.913 -0.804 1.00 0.00 C ATOM 405 CG TRP A 71 -1.982 0.943 -0.138 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.424 1.992 0.534 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.022 -0.121 -0.088 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.178 1.646 0.998 1.00 0.00 N ATOM 409 CE2 TRP A 71 0.090 0.356 0.631 1.00 0.00 C ATOM 410 CE3 TRP A 71 -0.995 -1.429 -0.578 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.214 -0.430 0.871 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.124 -2.209 -0.340 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.213 -1.707 0.379 1.00 0.00 C ATOM 0 H TRP A 71 -2.886 3.394 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.824 0.572 -2.857 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.015 1.554 -0.251 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.728 -0.100 -0.755 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.893 2.954 0.680 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.446 2.253 1.530 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.833 -1.825 -1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.057 -0.045 1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.156 -3.221 -0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.071 -2.340 0.550 1.00 0.00 H new ATOM 424 N PRO A 72 -4.929 1.281 -4.104 1.00 0.00 N ATOM 425 CA PRO A 72 -6.224 1.505 -4.784 1.00 0.00 C ATOM 426 C PRO A 72 -7.364 0.582 -4.336 1.00 0.00 C ATOM 427 O PRO A 72 -7.220 -0.217 -3.408 1.00 0.00 O ATOM 428 CB PRO A 72 -5.885 1.255 -6.256 1.00 0.00 C ATOM 429 CG PRO A 72 -4.743 0.309 -6.219 1.00 0.00 C ATOM 430 CD PRO A 72 -3.926 0.701 -5.021 1.00 0.00 C ATOM 0 HA PRO A 72 -6.607 2.500 -4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.734 0.831 -6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.617 2.181 -6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.091 -0.721 -6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.153 0.373 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.424 -0.159 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.152 1.423 -5.280 1.00 0.00 H new ATOM 438 N GLN A 73 -8.508 0.720 -5.018 1.00 0.00 N ATOM 439 CA GLN A 73 -9.705 -0.075 -4.727 1.00 0.00 C ATOM 440 C GLN A 73 -9.447 -1.569 -4.925 1.00 0.00 C ATOM 441 O GLN A 73 -8.705 -1.972 -5.822 1.00 0.00 O ATOM 442 CB GLN A 73 -10.867 0.362 -5.628 1.00 0.00 C ATOM 443 CG GLN A 73 -11.608 1.598 -5.132 1.00 0.00 C ATOM 444 CD GLN A 73 -10.952 2.891 -5.576 1.00 0.00 C ATOM 445 OE1 GLN A 73 -10.112 3.452 -4.869 1.00 0.00 O ATOM 446 NE2 GLN A 73 -11.324 3.370 -6.751 1.00 0.00 N ATOM 0 H GLN A 73 -8.629 1.383 -5.784 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.965 0.096 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.482 0.559 -6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.575 -0.462 -5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.635 1.572 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.656 1.575 -4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.023 2.875 -7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.912 4.234 -7.103 1.00 0.00 H new ATOM 455 N SER A 74 -10.078 -2.385 -4.085 1.00 0.00 N ATOM 456 CA SER A 74 -9.933 -3.838 -4.161 1.00 0.00 C ATOM 457 C SER A 74 -11.049 -4.540 -3.391 1.00 0.00 C ATOM 458 O SER A 74 -11.945 -5.139 -3.982 1.00 0.00 O ATOM 459 CB SER A 74 -8.571 -4.261 -3.600 1.00 0.00 C ATOM 460 OG SER A 74 -7.758 -4.818 -4.616 1.00 0.00 O ATOM 0 H SER A 74 -10.697 -2.064 -3.341 1.00 0.00 H new ATOM 0 HA SER A 74 -10.000 -4.131 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.071 -3.398 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.712 -4.989 -2.801 1.00 0.00 H new ATOM 0 HG SER A 74 -6.893 -5.079 -4.236 1.00 0.00 H new ATOM 466 N ALA A 75 -10.971 -4.451 -2.063 1.00 0.00 N ATOM 467 CA ALA A 75 -11.943 -5.060 -1.155 1.00 0.00 C ATOM 468 C ALA A 75 -11.357 -5.125 0.253 1.00 0.00 C ATOM 469 O ALA A 75 -10.135 -5.164 0.409 1.00 0.00 O ATOM 470 CB ALA A 75 -12.335 -6.456 -1.629 1.00 0.00 C ATOM 0 H ALA A 75 -10.224 -3.949 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.843 -4.445 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.058 -6.886 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.778 -6.392 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.449 -7.089 -1.667 1.00 0.00 H new ATOM 476 N PRO A 76 -12.202 -5.125 1.300 1.00 0.00 N ATOM 477 CA PRO A 76 -11.722 -5.179 2.681 1.00 0.00 C ATOM 478 C PRO A 76 -10.665 -6.269 2.886 1.00 0.00 C ATOM 479 O PRO A 76 -9.554 -5.986 3.325 1.00 0.00 O ATOM 480 CB PRO A 76 -12.981 -5.473 3.507 1.00 0.00 C ATOM 481 CG PRO A 76 -14.087 -5.698 2.537 1.00 0.00 C ATOM 482 CD PRO A 76 -13.668 -5.068 1.236 1.00 0.00 C ATOM 0 HA PRO A 76 -11.230 -4.251 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.834 -6.350 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.212 -4.639 4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.274 -6.764 2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.014 -5.254 2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.056 -5.617 0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.029 -4.043 1.149 1.00 0.00 H new ATOM 490 N GLY A 77 -11.001 -7.509 2.544 1.00 0.00 N ATOM 491 CA GLY A 77 -10.046 -8.598 2.694 1.00 0.00 C ATOM 492 C GLY A 77 -9.196 -8.815 1.451 1.00 0.00 C ATOM 493 O GLY A 77 -8.873 -9.950 1.106 1.00 0.00 O ATOM 0 H GLY A 77 -11.910 -7.780 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.394 -8.389 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.584 -9.517 2.925 1.00 0.00 H new ATOM 497 N ALA A 78 -8.829 -7.722 0.780 1.00 0.00 N ATOM 498 CA ALA A 78 -8.005 -7.792 -0.425 1.00 0.00 C ATOM 499 C ALA A 78 -6.650 -7.117 -0.193 1.00 0.00 C ATOM 500 O ALA A 78 -6.423 -5.981 -0.620 1.00 0.00 O ATOM 501 CB ALA A 78 -8.738 -7.157 -1.599 1.00 0.00 C ATOM 0 H ALA A 78 -9.091 -6.775 1.053 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.819 -8.840 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.115 -7.215 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.673 -7.689 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.951 -6.112 -1.373 1.00 0.00 H new ATOM 507 N LEU A 79 -5.762 -7.827 0.503 1.00 0.00 N ATOM 508 CA LEU A 79 -4.429 -7.318 0.825 1.00 0.00 C ATOM 509 C LEU A 79 -3.562 -7.143 -0.424 1.00 0.00 C ATOM 510 O LEU A 79 -3.554 -7.993 -1.316 1.00 0.00 O ATOM 511 CB LEU A 79 -3.738 -8.265 1.817 1.00 0.00 C ATOM 512 CG LEU A 79 -2.243 -8.021 2.038 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.855 -8.361 3.467 1.00 0.00 C ATOM 514 CD2 LEU A 79 -1.420 -8.838 1.056 1.00 0.00 C ATOM 0 H LEU A 79 -5.945 -8.766 0.858 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.551 -6.334 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.246 -8.188 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.872 -9.289 1.467 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.037 -6.965 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.789 -8.182 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.422 -7.735 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.076 -9.410 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.360 -8.652 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.631 -9.898 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.679 -8.550 0.037 1.00 0.00 H new ATOM 526 N VAL A 80 -2.818 -6.040 -0.466 1.00 0.00 N ATOM 527 CA VAL A 80 -1.927 -5.752 -1.591 1.00 0.00 C ATOM 528 C VAL A 80 -0.478 -6.098 -1.235 1.00 0.00 C ATOM 529 O VAL A 80 -0.022 -5.828 -0.118 1.00 0.00 O ATOM 530 CB VAL A 80 -2.004 -4.269 -2.016 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.004 -3.968 -3.124 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.413 -3.906 -2.459 1.00 0.00 C ATOM 0 H VAL A 80 -2.813 -5.330 0.266 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.258 -6.370 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.748 -3.659 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.078 -2.918 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.005 -4.179 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.222 -4.592 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.443 -2.857 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.700 -4.529 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.107 -4.071 -1.635 1.00 0.00 H new ATOM 542 N GLU A 81 0.239 -6.695 -2.186 1.00 0.00 N ATOM 543 CA GLU A 81 1.632 -7.082 -1.971 1.00 0.00 C ATOM 544 C GLU A 81 2.574 -6.359 -2.938 1.00 0.00 C ATOM 545 O GLU A 81 2.302 -6.273 -4.138 1.00 0.00 O ATOM 546 CB GLU A 81 1.782 -8.596 -2.131 1.00 0.00 C ATOM 547 CG GLU A 81 2.808 -9.203 -1.186 1.00 0.00 C ATOM 548 CD GLU A 81 4.168 -9.402 -1.827 1.00 0.00 C ATOM 549 OE1 GLU A 81 4.531 -8.609 -2.719 1.00 0.00 O ATOM 550 OE2 GLU A 81 4.877 -10.347 -1.426 1.00 0.00 O ATOM 0 H GLU A 81 -0.122 -6.921 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 81 1.907 -6.792 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.815 -9.070 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.068 -8.819 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.916 -8.558 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.438 -10.164 -0.828 1.00 0.00 H new ATOM 557 N ARG A 82 3.684 -5.849 -2.410 1.00 0.00 N ATOM 558 CA ARG A 82 4.671 -5.144 -3.230 1.00 0.00 C ATOM 559 C ARG A 82 6.086 -5.292 -2.661 1.00 0.00 C ATOM 560 O ARG A 82 6.268 -5.425 -1.447 1.00 0.00 O ATOM 561 CB ARG A 82 4.303 -3.657 -3.361 1.00 0.00 C ATOM 562 CG ARG A 82 3.760 -3.033 -2.081 1.00 0.00 C ATOM 563 CD ARG A 82 4.826 -2.946 -0.997 1.00 0.00 C ATOM 564 NE ARG A 82 6.030 -2.238 -1.454 1.00 0.00 N ATOM 565 CZ ARG A 82 6.101 -0.923 -1.603 1.00 0.00 C ATOM 566 NH1 ARG A 82 5.054 -0.170 -1.330 1.00 0.00 N ATOM 567 NH2 ARG A 82 7.221 -0.367 -2.019 1.00 0.00 N ATOM 0 H ARG A 82 3.924 -5.909 -1.420 1.00 0.00 H new ATOM 0 HA ARG A 82 4.659 -5.599 -4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.187 -3.102 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.559 -3.546 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.379 -2.035 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.919 -3.624 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.415 -2.435 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.098 -3.952 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 82 6.860 -2.791 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.188 -0.599 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.110 0.842 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.033 -0.949 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.276 0.645 -2.134 1.00 0.00 H new ATOM 581 N PRO A 83 7.113 -5.268 -3.534 1.00 0.00 N ATOM 582 CA PRO A 83 8.516 -5.400 -3.115 1.00 0.00 C ATOM 583 C PRO A 83 8.944 -4.317 -2.123 1.00 0.00 C ATOM 584 O PRO A 83 8.346 -3.231 -2.067 1.00 0.00 O ATOM 585 CB PRO A 83 9.303 -5.267 -4.428 1.00 0.00 C ATOM 586 CG PRO A 83 8.356 -4.636 -5.390 1.00 0.00 C ATOM 587 CD PRO A 83 6.991 -5.112 -4.992 1.00 0.00 C ATOM 0 HA PRO A 83 8.689 -6.341 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.194 -4.653 -4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.638 -6.240 -4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.419 -3.549 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.588 -4.927 -6.415 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.218 -4.392 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.732 -6.052 -5.479 1.00 0.00 H new ATOM 595 N CYS A 84 9.982 -4.620 -1.341 1.00 0.00 N ATOM 596 CA CYS A 84 10.504 -3.674 -0.351 1.00 0.00 C ATOM 597 C CYS A 84 11.208 -2.510 -1.051 1.00 0.00 C ATOM 598 O CYS A 84 12.066 -2.725 -1.908 1.00 0.00 O ATOM 599 CB CYS A 84 11.473 -4.377 0.608 1.00 0.00 C ATOM 600 SG CYS A 84 11.684 -3.541 2.215 1.00 0.00 S ATOM 0 H CYS A 84 10.477 -5.511 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 84 9.667 -3.284 0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.117 -5.392 0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 84 12.447 -4.460 0.125 1.00 0.00 H new ATOM 605 N PRO A 85 10.851 -1.256 -0.702 1.00 0.00 N ATOM 606 CA PRO A 85 11.454 -0.059 -1.315 1.00 0.00 C ATOM 607 C PRO A 85 12.943 0.088 -0.989 1.00 0.00 C ATOM 608 O PRO A 85 13.336 0.929 -0.179 1.00 0.00 O ATOM 609 CB PRO A 85 10.642 1.096 -0.712 1.00 0.00 C ATOM 610 CG PRO A 85 10.084 0.553 0.558 1.00 0.00 C ATOM 611 CD PRO A 85 9.833 -0.906 0.308 1.00 0.00 C ATOM 0 HA PRO A 85 11.417 -0.098 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.272 1.966 -0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.848 1.415 -1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.783 0.693 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.162 1.067 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.949 -1.496 1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.823 -1.083 -0.061 1.00 0.00 H new ATOM 619 N GLU A 86 13.769 -0.743 -1.626 1.00 0.00 N ATOM 620 CA GLU A 86 15.219 -0.718 -1.406 1.00 0.00 C ATOM 621 C GLU A 86 15.802 0.693 -1.561 1.00 0.00 C ATOM 622 O GLU A 86 16.591 1.141 -0.725 1.00 0.00 O ATOM 623 CB GLU A 86 15.936 -1.680 -2.357 1.00 0.00 C ATOM 624 CG GLU A 86 15.421 -1.632 -3.783 1.00 0.00 C ATOM 625 CD GLU A 86 16.363 -2.296 -4.763 1.00 0.00 C ATOM 626 OE1 GLU A 86 17.344 -1.639 -5.184 1.00 0.00 O ATOM 627 OE2 GLU A 86 16.137 -3.477 -5.097 1.00 0.00 O ATOM 0 H GLU A 86 13.460 -1.443 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 86 15.384 -1.041 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.001 -1.448 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.831 -2.696 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.448 -2.121 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.270 -0.593 -4.076 1.00 0.00 H new ATOM 634 N TYR A 87 15.414 1.389 -2.629 1.00 0.00 N ATOM 635 CA TYR A 87 15.908 2.741 -2.887 1.00 0.00 C ATOM 636 C TYR A 87 15.126 3.787 -2.082 1.00 0.00 C ATOM 637 O TYR A 87 14.508 4.690 -2.649 1.00 0.00 O ATOM 638 CB TYR A 87 15.838 3.051 -4.389 1.00 0.00 C ATOM 639 CG TYR A 87 17.134 3.578 -4.964 1.00 0.00 C ATOM 640 CD1 TYR A 87 17.518 4.898 -4.769 1.00 0.00 C ATOM 641 CD2 TYR A 87 17.972 2.754 -5.704 1.00 0.00 C ATOM 642 CE1 TYR A 87 18.701 5.384 -5.295 1.00 0.00 C ATOM 643 CE2 TYR A 87 19.157 3.233 -6.234 1.00 0.00 C ATOM 644 CZ TYR A 87 19.515 4.547 -6.026 1.00 0.00 C ATOM 645 OH TYR A 87 20.693 5.028 -6.552 1.00 0.00 O ATOM 0 H TYR A 87 14.760 1.039 -3.329 1.00 0.00 H new ATOM 0 HA TYR A 87 16.948 2.789 -2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.555 2.145 -4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.050 3.783 -4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.882 5.557 -4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.694 1.723 -5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.985 6.413 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.798 2.580 -6.808 1.00 0.00 H new ATOM 0 HH TYR A 87 21.151 4.311 -7.039 1.00 0.00 H new ATOM 655 N PHE A 88 15.158 3.660 -0.755 1.00 0.00 N ATOM 656 CA PHE A 88 14.456 4.598 0.126 1.00 0.00 C ATOM 657 C PHE A 88 15.316 4.990 1.337 1.00 0.00 C ATOM 658 O PHE A 88 14.790 5.382 2.379 1.00 0.00 O ATOM 659 CB PHE A 88 13.134 3.981 0.596 1.00 0.00 C ATOM 660 CG PHE A 88 11.921 4.541 -0.097 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.666 4.245 -1.425 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.036 5.359 0.585 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.552 4.755 -2.062 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.919 5.873 -0.047 1.00 0.00 C ATOM 665 CZ PHE A 88 9.677 5.571 -1.373 1.00 0.00 C ATOM 0 H PHE A 88 15.661 2.919 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 88 14.253 5.505 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.169 2.904 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.032 4.138 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.347 3.607 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.220 5.598 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.365 4.516 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.236 6.510 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.806 5.972 -1.869 1.00 0.00 H new ATOM 675 N ASN A 89 16.640 4.882 1.196 1.00 0.00 N ATOM 676 CA ASN A 89 17.566 5.221 2.280 1.00 0.00 C ATOM 677 C ASN A 89 19.019 5.146 1.801 1.00 0.00 C ATOM 678 O ASN A 89 19.305 4.566 0.751 1.00 0.00 O ATOM 679 CB ASN A 89 17.358 4.273 3.467 1.00 0.00 C ATOM 680 CG ASN A 89 17.936 4.818 4.758 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.358 5.701 5.384 1.00 0.00 O ATOM 682 ND2 ASN A 89 19.086 4.304 5.159 1.00 0.00 N ATOM 0 H ASN A 89 17.095 4.562 0.341 1.00 0.00 H new ATOM 0 HA ASN A 89 17.360 6.243 2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.291 4.091 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.820 3.311 3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.524 4.641 6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.536 3.571 4.611 1.00 0.00 H new ATOM 689 N GLY A 90 19.934 5.728 2.577 1.00 0.00 N ATOM 690 CA GLY A 90 21.348 5.709 2.216 1.00 0.00 C ATOM 691 C GLY A 90 21.983 4.334 2.369 1.00 0.00 C ATOM 692 O GLY A 90 22.953 4.176 3.111 1.00 0.00 O ATOM 0 H GLY A 90 19.723 6.213 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.458 6.041 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.886 6.423 2.840 1.00 0.00 H new ATOM 696 N ILE A 91 21.434 3.348 1.658 1.00 0.00 N ATOM 697 CA ILE A 91 21.941 1.974 1.699 1.00 0.00 C ATOM 698 C ILE A 91 21.186 1.082 0.711 1.00 0.00 C ATOM 699 O ILE A 91 19.974 1.226 0.529 1.00 0.00 O ATOM 700 CB ILE A 91 21.845 1.365 3.122 1.00 0.00 C ATOM 701 CG1 ILE A 91 22.908 0.279 3.302 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.454 0.793 3.380 1.00 0.00 C ATOM 703 CD1 ILE A 91 22.862 -0.404 4.652 1.00 0.00 C ATOM 0 H ILE A 91 20.631 3.477 1.042 1.00 0.00 H new ATOM 0 HA ILE A 91 22.992 2.018 1.414 1.00 0.00 H new ATOM 0 HB ILE A 91 22.023 2.160 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 91 22.783 -0.471 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 91 23.894 0.722 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.414 0.372 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.712 1.586 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.241 0.011 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 91 23.645 -1.161 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.018 0.334 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.890 -0.878 4.787 1.00 0.00 H new ATOM 715 N LYS A 92 21.901 0.153 0.081 1.00 0.00 N ATOM 716 CA LYS A 92 21.282 -0.759 -0.876 1.00 0.00 C ATOM 717 C LYS A 92 20.506 -1.859 -0.145 1.00 0.00 C ATOM 718 O LYS A 92 20.937 -3.009 -0.094 1.00 0.00 O ATOM 719 CB LYS A 92 22.344 -1.373 -1.797 1.00 0.00 C ATOM 720 CG LYS A 92 21.805 -1.797 -3.157 1.00 0.00 C ATOM 721 CD LYS A 92 21.190 -3.190 -3.107 1.00 0.00 C ATOM 722 CE LYS A 92 19.683 -3.150 -3.319 1.00 0.00 C ATOM 723 NZ LYS A 92 19.325 -3.127 -4.767 1.00 0.00 N ATOM 0 H LYS A 92 22.902 0.013 0.215 1.00 0.00 H new ATOM 0 HA LYS A 92 20.581 -0.192 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 92 23.147 -0.650 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 92 22.782 -2.240 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.056 -1.080 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 92 22.612 -1.781 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.648 -3.817 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.410 -3.650 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.227 -4.020 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.271 -2.268 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.832 -2.239 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.190 -3.195 -5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.703 -3.932 -4.984 1.00 0.00 H new ATOM 737 N TYR A 93 19.361 -1.489 0.428 1.00 0.00 N ATOM 738 CA TYR A 93 18.525 -2.440 1.166 1.00 0.00 C ATOM 739 C TYR A 93 18.275 -3.716 0.362 1.00 0.00 C ATOM 740 O TYR A 93 18.155 -3.681 -0.866 1.00 0.00 O ATOM 741 CB TYR A 93 17.188 -1.798 1.540 1.00 0.00 C ATOM 742 CG TYR A 93 17.164 -1.217 2.935 1.00 0.00 C ATOM 743 CD1 TYR A 93 16.990 -2.034 4.046 1.00 0.00 C ATOM 744 CD2 TYR A 93 17.314 0.149 3.141 1.00 0.00 C ATOM 745 CE1 TYR A 93 16.968 -1.506 5.322 1.00 0.00 C ATOM 746 CE2 TYR A 93 17.293 0.684 4.416 1.00 0.00 C ATOM 747 CZ TYR A 93 17.120 -0.147 5.500 1.00 0.00 C ATOM 748 OH TYR A 93 17.097 0.383 6.768 1.00 0.00 O ATOM 0 H TYR A 93 18.990 -0.539 0.396 1.00 0.00 H new ATOM 0 HA TYR A 93 19.065 -2.710 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 93 16.960 -1.009 0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 93 16.399 -2.545 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.870 -3.099 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 93 17.449 0.803 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 93 16.833 -2.154 6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.412 1.748 4.561 1.00 0.00 H new ATOM 0 HH TYR A 93 17.219 1.354 6.719 1.00 0.00 H new ATOM 758 N ASN A 94 18.195 -4.840 1.066 1.00 0.00 N ATOM 759 CA ASN A 94 17.954 -6.131 0.425 1.00 0.00 C ATOM 760 C ASN A 94 16.491 -6.268 0.011 1.00 0.00 C ATOM 761 O ASN A 94 15.599 -6.342 0.861 1.00 0.00 O ATOM 762 CB ASN A 94 18.337 -7.276 1.372 1.00 0.00 C ATOM 763 CG ASN A 94 19.123 -8.376 0.682 1.00 0.00 C ATOM 764 OD1 ASN A 94 19.380 -8.317 -0.520 1.00 0.00 O ATOM 765 ND2 ASN A 94 19.507 -9.391 1.440 1.00 0.00 N ATOM 0 H ASN A 94 18.293 -4.885 2.080 1.00 0.00 H new ATOM 0 HA ASN A 94 18.574 -6.185 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.928 -6.877 2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.431 -7.701 1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.036 -10.161 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.274 -9.403 2.433 1.00 0.00 H new ATOM 772 N THR A 95 16.238 -6.313 -1.293 1.00 0.00 N ATOM 773 CA THR A 95 14.871 -6.448 -1.795 1.00 0.00 C ATOM 774 C THR A 95 14.406 -7.913 -1.779 1.00 0.00 C ATOM 775 O THR A 95 13.716 -8.368 -2.694 1.00 0.00 O ATOM 776 CB THR A 95 14.752 -5.852 -3.206 1.00 0.00 C ATOM 777 OG1 THR A 95 16.034 -5.622 -3.775 1.00 0.00 O ATOM 778 CG2 THR A 95 13.995 -4.540 -3.223 1.00 0.00 C ATOM 0 H THR A 95 16.954 -6.259 -2.018 1.00 0.00 H new ATOM 0 HA THR A 95 14.215 -5.889 -1.127 1.00 0.00 H new ATOM 0 HB THR A 95 14.200 -6.589 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.945 -5.035 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.941 -4.164 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.986 -4.697 -2.840 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.512 -3.814 -2.596 1.00 0.00 H new ATOM 786 N THR A 96 14.767 -8.641 -0.717 1.00 0.00 N ATOM 787 CA THR A 96 14.370 -10.043 -0.563 1.00 0.00 C ATOM 788 C THR A 96 13.031 -10.155 0.175 1.00 0.00 C ATOM 789 O THR A 96 12.505 -11.255 0.354 1.00 0.00 O ATOM 790 CB THR A 96 15.445 -10.840 0.192 1.00 0.00 C ATOM 791 OG1 THR A 96 16.485 -9.989 0.649 1.00 0.00 O ATOM 792 CG2 THR A 96 16.082 -11.926 -0.646 1.00 0.00 C ATOM 0 H THR A 96 15.335 -8.281 0.050 1.00 0.00 H new ATOM 0 HA THR A 96 14.258 -10.463 -1.562 1.00 0.00 H new ATOM 0 HB THR A 96 14.920 -11.302 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.156 -10.520 1.127 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.832 -12.450 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.317 -12.632 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.557 -11.480 -1.520 1.00 0.00 H new ATOM 800 N ARG A 97 12.479 -9.009 0.593 1.00 0.00 N ATOM 801 CA ARG A 97 11.199 -8.977 1.296 1.00 0.00 C ATOM 802 C ARG A 97 10.221 -8.045 0.588 1.00 0.00 C ATOM 803 O ARG A 97 10.613 -7.223 -0.247 1.00 0.00 O ATOM 804 CB ARG A 97 11.371 -8.519 2.748 1.00 0.00 C ATOM 805 CG ARG A 97 12.730 -8.824 3.345 1.00 0.00 C ATOM 806 CD ARG A 97 12.862 -10.288 3.730 1.00 0.00 C ATOM 807 NE ARG A 97 13.362 -10.443 5.100 1.00 0.00 N ATOM 808 CZ ARG A 97 12.975 -11.392 5.946 1.00 0.00 C ATOM 809 NH1 ARG A 97 12.108 -12.316 5.577 1.00 0.00 N ATOM 810 NH2 ARG A 97 13.475 -11.427 7.165 1.00 0.00 N ATOM 0 H ARG A 97 12.903 -8.092 0.454 1.00 0.00 H new ATOM 0 HA ARG A 97 10.802 -9.992 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.198 -7.444 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.604 -8.995 3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.509 -8.565 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.888 -8.201 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.893 -10.778 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.538 -10.788 3.036 1.00 0.00 H new ATOM 0 HE ARG A 97 14.058 -9.773 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.726 -12.308 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.820 -13.038 6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.157 -10.727 7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.180 -12.154 7.817 1.00 0.00 H new ATOM 824 N ASN A 98 8.951 -8.169 0.944 1.00 0.00 N ATOM 825 CA ASN A 98 7.899 -7.339 0.354 1.00 0.00 C ATOM 826 C ASN A 98 6.978 -6.759 1.432 1.00 0.00 C ATOM 827 O ASN A 98 6.963 -7.219 2.573 1.00 0.00 O ATOM 828 CB ASN A 98 7.084 -8.162 -0.660 1.00 0.00 C ATOM 829 CG ASN A 98 7.813 -8.364 -1.981 1.00 0.00 C ATOM 830 OD1 ASN A 98 9.036 -8.428 -2.024 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.072 -8.470 -3.069 1.00 0.00 N ATOM 0 H ASN A 98 8.619 -8.837 1.640 1.00 0.00 H new ATOM 0 HA ASN A 98 8.374 -6.505 -0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.851 -9.135 -0.227 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.134 -7.661 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.516 -8.609 -3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.056 -8.413 -3.002 1.00 0.00 H new ATOM 838 N ALA A 99 6.198 -5.749 1.049 1.00 0.00 N ATOM 839 CA ALA A 99 5.253 -5.102 1.961 1.00 0.00 C ATOM 840 C ALA A 99 3.821 -5.512 1.617 1.00 0.00 C ATOM 841 O ALA A 99 3.407 -5.451 0.455 1.00 0.00 O ATOM 842 CB ALA A 99 5.415 -3.589 1.911 1.00 0.00 C ATOM 0 H ALA A 99 6.202 -5.358 0.107 1.00 0.00 H new ATOM 0 HA ALA A 99 5.467 -5.430 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.705 -3.124 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.430 -3.322 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.226 -3.236 0.897 1.00 0.00 H new ATOM 848 N TYR A 100 3.077 -5.947 2.629 1.00 0.00 N ATOM 849 CA TYR A 100 1.697 -6.392 2.439 1.00 0.00 C ATOM 850 C TYR A 100 0.726 -5.522 3.231 1.00 0.00 C ATOM 851 O TYR A 100 0.880 -5.367 4.438 1.00 0.00 O ATOM 852 CB TYR A 100 1.542 -7.859 2.886 1.00 0.00 C ATOM 853 CG TYR A 100 2.814 -8.682 2.803 1.00 0.00 C ATOM 854 CD1 TYR A 100 3.840 -8.518 3.728 1.00 0.00 C ATOM 855 CD2 TYR A 100 2.989 -9.620 1.796 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.002 -9.263 3.645 1.00 0.00 C ATOM 857 CE2 TYR A 100 4.147 -10.369 1.709 1.00 0.00 C ATOM 858 CZ TYR A 100 5.151 -10.185 2.635 1.00 0.00 C ATOM 859 OH TYR A 100 6.307 -10.926 2.551 1.00 0.00 O ATOM 0 H TYR A 100 3.406 -6.002 3.593 1.00 0.00 H new ATOM 0 HA TYR A 100 1.464 -6.305 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.181 -7.876 3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.777 -8.334 2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.727 -7.797 4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.206 -9.768 1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.790 -9.122 4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.265 -11.096 0.919 1.00 0.00 H new ATOM 0 HH TYR A 100 6.252 -11.532 1.782 1.00 0.00 H new ATOM 869 N ARG A 101 -0.283 -4.967 2.569 1.00 0.00 N ATOM 870 CA ARG A 101 -1.263 -4.137 3.265 1.00 0.00 C ATOM 871 C ARG A 101 -2.676 -4.700 3.105 1.00 0.00 C ATOM 872 O ARG A 101 -3.142 -4.920 1.985 1.00 0.00 O ATOM 873 CB ARG A 101 -1.211 -2.682 2.783 1.00 0.00 C ATOM 874 CG ARG A 101 -1.653 -1.697 3.856 1.00 0.00 C ATOM 875 CD ARG A 101 -1.493 -0.245 3.425 1.00 0.00 C ATOM 876 NE ARG A 101 -1.059 0.614 4.539 1.00 0.00 N ATOM 877 CZ ARG A 101 -1.686 0.717 5.705 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.822 0.088 5.913 1.00 0.00 N ATOM 879 NH2 ARG A 101 -1.179 1.472 6.656 1.00 0.00 N ATOM 0 H ARG A 101 -0.444 -5.073 1.567 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.004 -4.152 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.195 -2.442 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.849 -2.570 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.697 -1.884 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.072 -1.869 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.766 -0.185 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.440 0.123 3.031 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.215 1.171 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.230 -0.486 5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.295 0.174 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.307 1.976 6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.658 1.553 7.553 1.00 0.00 H new ATOM 893 N GLU A 102 -3.350 -4.930 4.232 1.00 0.00 N ATOM 894 CA GLU A 102 -4.713 -5.466 4.227 1.00 0.00 C ATOM 895 C GLU A 102 -5.740 -4.346 4.413 1.00 0.00 C ATOM 896 O GLU A 102 -5.473 -3.355 5.097 1.00 0.00 O ATOM 897 CB GLU A 102 -4.877 -6.507 5.342 1.00 0.00 C ATOM 898 CG GLU A 102 -6.135 -7.371 5.227 1.00 0.00 C ATOM 899 CD GLU A 102 -6.432 -7.843 3.814 1.00 0.00 C ATOM 900 OE1 GLU A 102 -6.882 -7.016 2.994 1.00 0.00 O ATOM 901 OE2 GLU A 102 -6.230 -9.041 3.534 1.00 0.00 O ATOM 0 H GLU A 102 -2.973 -4.753 5.163 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.886 -5.941 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.003 -7.159 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.892 -5.992 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.027 -8.241 5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.989 -6.803 5.597 1.00 0.00 H new ATOM 908 N CYS A 103 -6.921 -4.514 3.820 1.00 0.00 N ATOM 909 CA CYS A 103 -7.994 -3.520 3.939 1.00 0.00 C ATOM 910 C CYS A 103 -9.046 -3.965 4.962 1.00 0.00 C ATOM 911 O CYS A 103 -10.208 -3.560 4.894 1.00 0.00 O ATOM 912 CB CYS A 103 -8.637 -3.267 2.567 1.00 0.00 C ATOM 913 SG CYS A 103 -9.882 -1.936 2.557 1.00 0.00 S ATOM 0 H CYS A 103 -7.162 -5.327 3.253 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.560 -2.586 4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.853 -3.021 1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.105 -4.189 2.222 1.00 0.00 H new ATOM 918 N LEU A 104 -8.605 -4.795 5.914 1.00 0.00 N ATOM 919 CA LEU A 104 -9.470 -5.334 6.979 1.00 0.00 C ATOM 920 C LEU A 104 -10.633 -6.145 6.412 1.00 0.00 C ATOM 921 O LEU A 104 -11.294 -5.714 5.482 1.00 0.00 O ATOM 922 CB LEU A 104 -9.999 -4.208 7.867 1.00 0.00 C ATOM 923 CG LEU A 104 -9.737 -4.390 9.362 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.794 -3.053 10.076 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.736 -5.363 9.965 1.00 0.00 C ATOM 0 H LEU A 104 -7.638 -5.114 5.971 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.858 -6.005 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.548 -3.269 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.074 -4.116 7.710 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.737 -4.805 9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.605 -3.200 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.037 -2.387 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.781 -2.610 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.533 -5.479 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.747 -4.978 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.646 -6.330 9.471 1.00 0.00 H new ATOM 937 N GLU A 105 -10.886 -7.322 6.991 1.00 0.00 N ATOM 938 CA GLU A 105 -11.983 -8.203 6.552 1.00 0.00 C ATOM 939 C GLU A 105 -13.248 -7.429 6.177 1.00 0.00 C ATOM 940 O GLU A 105 -14.035 -7.888 5.345 1.00 0.00 O ATOM 941 CB GLU A 105 -12.308 -9.229 7.641 1.00 0.00 C ATOM 942 CG GLU A 105 -11.397 -10.447 7.631 1.00 0.00 C ATOM 943 CD GLU A 105 -11.339 -11.143 8.976 1.00 0.00 C ATOM 944 OE1 GLU A 105 -12.389 -11.634 9.438 1.00 0.00 O ATOM 945 OE2 GLU A 105 -10.241 -11.197 9.564 1.00 0.00 O ATOM 0 H GLU A 105 -10.344 -7.693 7.771 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.636 -8.713 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.240 -8.744 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.340 -9.558 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.747 -11.151 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.392 -10.142 7.340 1.00 0.00 H new ATOM 952 N ASN A 106 -13.421 -6.244 6.755 1.00 0.00 N ATOM 953 CA ASN A 106 -14.564 -5.400 6.442 1.00 0.00 C ATOM 954 C ASN A 106 -14.518 -4.116 7.245 1.00 0.00 C ATOM 955 O ASN A 106 -15.208 -3.963 8.253 1.00 0.00 O ATOM 956 CB ASN A 106 -15.906 -6.104 6.662 1.00 0.00 C ATOM 957 CG ASN A 106 -17.086 -5.155 6.472 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.150 -5.348 7.053 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.903 -4.120 5.645 1.00 0.00 N ATOM 0 H ASN A 106 -12.781 -5.848 7.444 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.492 -5.170 5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.996 -6.939 5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.935 -6.523 7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.662 -3.459 5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.004 -3.992 5.180 1.00 0.00 H new ATOM 966 N GLY A 107 -13.700 -3.194 6.779 1.00 0.00 N ATOM 967 CA GLY A 107 -13.580 -1.926 7.452 1.00 0.00 C ATOM 968 C GLY A 107 -12.740 -0.937 6.688 1.00 0.00 C ATOM 969 O GLY A 107 -13.265 0.054 6.184 1.00 0.00 O ATOM 0 H GLY A 107 -13.118 -3.300 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.574 -1.507 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.142 -2.083 8.438 1.00 0.00 H new ATOM 973 N THR A 108 -11.434 -1.198 6.608 1.00 0.00 N ATOM 974 CA THR A 108 -10.508 -0.316 5.900 1.00 0.00 C ATOM 975 C THR A 108 -9.053 -0.764 6.073 1.00 0.00 C ATOM 976 O THR A 108 -8.742 -1.579 6.939 1.00 0.00 O ATOM 977 CB THR A 108 -10.651 1.126 6.388 1.00 0.00 C ATOM 978 OG1 THR A 108 -11.243 1.193 7.677 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.470 1.992 5.454 1.00 0.00 C ATOM 0 H THR A 108 -10.994 -2.017 7.027 1.00 0.00 H new ATOM 0 HA THR A 108 -10.765 -0.371 4.842 1.00 0.00 H new ATOM 0 HB THR A 108 -9.631 1.508 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.316 2.130 7.955 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.534 3.003 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.994 2.022 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.473 1.576 5.358 1.00 0.00 H new ATOM 987 N TRP A 109 -8.166 -0.220 5.237 1.00 0.00 N ATOM 988 CA TRP A 109 -6.733 -0.552 5.278 1.00 0.00 C ATOM 989 C TRP A 109 -6.189 -0.623 6.710 1.00 0.00 C ATOM 990 O TRP A 109 -6.155 0.379 7.425 1.00 0.00 O ATOM 991 CB TRP A 109 -5.927 0.478 4.474 1.00 0.00 C ATOM 992 CG TRP A 109 -6.155 0.427 2.990 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.693 1.412 2.212 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.846 -0.658 2.105 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.739 1.008 0.900 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.226 -0.259 0.808 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.287 -1.926 2.279 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -6.067 -1.081 -0.302 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.128 -2.742 1.174 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.516 -2.317 -0.101 1.00 0.00 C ATOM 0 H TRP A 109 -8.414 0.458 4.517 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.624 -1.541 4.833 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.177 1.476 4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.866 0.324 4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.033 2.370 2.576 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.097 1.561 0.121 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.984 -2.263 3.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.368 -0.756 -1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.697 -3.724 1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.378 -2.978 -0.944 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.745 -1.820 7.098 1.00 0.00 N ATOM 1012 CA ALA A 110 -5.176 -2.058 8.424 1.00 0.00 C ATOM 1013 C ALA A 110 -3.729 -1.542 8.500 1.00 0.00 C ATOM 1014 O ALA A 110 -3.463 -0.383 8.168 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.272 -3.547 8.751 1.00 0.00 C ATOM 0 H ALA A 110 -5.770 -2.648 6.504 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.744 -1.504 9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.849 -3.731 9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.318 -3.855 8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.718 -4.119 8.007 1.00 0.00 H new ATOM 1021 N SER A 111 -2.797 -2.393 8.925 1.00 0.00 N ATOM 1022 CA SER A 111 -1.385 -2.010 9.021 1.00 0.00 C ATOM 1023 C SER A 111 -0.474 -3.240 8.964 1.00 0.00 C ATOM 1024 O SER A 111 0.331 -3.481 9.867 1.00 0.00 O ATOM 1025 CB SER A 111 -1.129 -1.208 10.302 1.00 0.00 C ATOM 1026 OG SER A 111 -0.592 0.071 9.995 1.00 0.00 O ATOM 0 H SER A 111 -2.992 -3.353 9.209 1.00 0.00 H new ATOM 0 HA SER A 111 -1.150 -1.378 8.165 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.060 -1.093 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.439 -1.753 10.946 1.00 0.00 H new ATOM 0 HG SER A 111 -0.437 0.569 10.825 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.609 -4.015 7.889 1.00 0.00 N ATOM 1033 CA ARG A 112 0.194 -5.225 7.697 1.00 0.00 C ATOM 1034 C ARG A 112 1.532 -4.918 7.000 1.00 0.00 C ATOM 1035 O ARG A 112 2.408 -5.783 6.923 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.605 -6.257 6.890 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.217 -7.701 7.178 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.161 -8.344 8.184 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.680 -8.186 9.560 1.00 0.00 N ATOM 1040 CZ ARG A 112 -1.399 -8.449 10.646 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -2.649 -8.864 10.540 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -0.862 -8.289 11.838 1.00 0.00 N ATOM 0 H ARG A 112 -1.269 -3.827 7.134 1.00 0.00 H new ATOM 0 HA ARG A 112 0.426 -5.634 8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.666 -6.127 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.466 -6.059 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.228 -8.273 6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.803 -7.735 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.151 -7.897 8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.268 -9.404 7.956 1.00 0.00 H new ATOM 0 HE ARG A 112 0.274 -7.850 9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.070 -8.985 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.193 -9.063 11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.101 -7.965 11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.409 -8.489 12.675 1.00 0.00 H new ATOM 1056 N VAL A 113 1.682 -3.686 6.490 1.00 0.00 N ATOM 1057 CA VAL A 113 2.906 -3.271 5.799 1.00 0.00 C ATOM 1058 C VAL A 113 4.115 -3.280 6.746 1.00 0.00 C ATOM 1059 O VAL A 113 4.556 -2.239 7.243 1.00 0.00 O ATOM 1060 CB VAL A 113 2.744 -1.875 5.160 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.765 -1.934 4.001 1.00 0.00 C ATOM 1062 CG2 VAL A 113 2.295 -0.844 6.184 1.00 0.00 C ATOM 0 H VAL A 113 0.967 -2.960 6.545 1.00 0.00 H new ATOM 0 HA VAL A 113 3.086 -3.996 5.005 1.00 0.00 H new ATOM 0 HB VAL A 113 3.718 -1.566 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.662 -0.942 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.135 -2.629 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.794 -2.274 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.191 0.127 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.336 -1.144 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.036 -0.775 6.980 1.00 0.00 H new ATOM 1072 N ASN A 114 4.636 -4.473 7.006 1.00 0.00 N ATOM 1073 CA ASN A 114 5.776 -4.638 7.904 1.00 0.00 C ATOM 1074 C ASN A 114 7.099 -4.271 7.222 1.00 0.00 C ATOM 1075 O ASN A 114 7.946 -5.134 6.987 1.00 0.00 O ATOM 1076 CB ASN A 114 5.828 -6.079 8.419 1.00 0.00 C ATOM 1077 CG ASN A 114 6.592 -6.198 9.724 1.00 0.00 C ATOM 1078 OD1 ASN A 114 7.788 -5.929 9.779 1.00 0.00 O ATOM 1079 ND2 ASN A 114 5.907 -6.604 10.781 1.00 0.00 N ATOM 0 H ASN A 114 4.287 -5.344 6.607 1.00 0.00 H new ATOM 0 HA ASN A 114 5.641 -3.955 8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 114 4.812 -6.449 8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.297 -6.714 7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 114 6.373 -6.703 11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.913 -6.818 10.694 1.00 0.00 H new ATOM 1086 N TYR A 115 7.282 -2.984 6.923 1.00 0.00 N ATOM 1087 CA TYR A 115 8.519 -2.516 6.284 1.00 0.00 C ATOM 1088 C TYR A 115 9.736 -2.817 7.166 1.00 0.00 C ATOM 1089 O TYR A 115 10.830 -3.082 6.662 1.00 0.00 O ATOM 1090 CB TYR A 115 8.464 -1.010 6.001 1.00 0.00 C ATOM 1091 CG TYR A 115 7.188 -0.544 5.340 1.00 0.00 C ATOM 1092 CD1 TYR A 115 6.920 -0.836 4.008 1.00 0.00 C ATOM 1093 CD2 TYR A 115 6.255 0.201 6.048 1.00 0.00 C ATOM 1094 CE1 TYR A 115 5.756 -0.400 3.404 1.00 0.00 C ATOM 1095 CE2 TYR A 115 5.091 0.637 5.452 1.00 0.00 C ATOM 1096 CZ TYR A 115 4.847 0.336 4.132 1.00 0.00 C ATOM 1097 OH TYR A 115 3.689 0.776 3.533 1.00 0.00 O ATOM 0 H TYR A 115 6.598 -2.251 7.110 1.00 0.00 H new ATOM 0 HA TYR A 115 8.615 -3.051 5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.589 -0.472 6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 115 9.307 -0.741 5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.632 -1.412 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.444 0.443 7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.560 -0.635 2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.374 1.212 6.019 1.00 0.00 H new ATOM 0 HH TYR A 115 3.490 1.686 3.836 1.00 0.00 H new ATOM 1107 N SER A 116 9.534 -2.764 8.486 1.00 0.00 N ATOM 1108 CA SER A 116 10.607 -3.021 9.452 1.00 0.00 C ATOM 1109 C SER A 116 11.329 -4.346 9.192 1.00 0.00 C ATOM 1110 O SER A 116 12.492 -4.498 9.562 1.00 0.00 O ATOM 1111 CB SER A 116 10.053 -3.011 10.880 1.00 0.00 C ATOM 1112 OG SER A 116 11.036 -2.576 11.804 1.00 0.00 O ATOM 0 H SER A 116 8.633 -2.544 8.912 1.00 0.00 H new ATOM 0 HA SER A 116 11.336 -2.220 9.330 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.184 -2.355 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 116 9.713 -4.011 11.149 1.00 0.00 H new ATOM 0 HG SER A 116 10.658 -2.577 12.708 1.00 0.00 H new ATOM 1118 N HIS A 117 10.649 -5.308 8.561 1.00 0.00 N ATOM 1119 CA HIS A 117 11.258 -6.609 8.275 1.00 0.00 C ATOM 1120 C HIS A 117 12.113 -6.584 6.997 1.00 0.00 C ATOM 1121 O HIS A 117 12.151 -7.561 6.248 1.00 0.00 O ATOM 1122 CB HIS A 117 10.171 -7.686 8.168 1.00 0.00 C ATOM 1123 CG HIS A 117 10.447 -8.889 9.013 1.00 0.00 C ATOM 1124 ND1 HIS A 117 11.663 -9.536 9.024 1.00 0.00 N ATOM 1125 CD2 HIS A 117 9.659 -9.555 9.887 1.00 0.00 C ATOM 1126 CE1 HIS A 117 11.613 -10.550 9.869 1.00 0.00 C ATOM 1127 NE2 HIS A 117 10.406 -10.583 10.407 1.00 0.00 N ATOM 0 H HIS A 117 9.685 -5.212 8.241 1.00 0.00 H new ATOM 0 HA HIS A 117 11.925 -6.847 9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.213 -7.256 8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 117 10.076 -7.995 7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.633 -9.322 10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 117 12.420 -11.235 10.084 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.082 -11.262 11.096 1.00 0.00 H new ATOM 1136 N CYS A 118 12.813 -5.470 6.765 1.00 0.00 N ATOM 1137 CA CYS A 118 13.676 -5.329 5.590 1.00 0.00 C ATOM 1138 C CYS A 118 15.143 -5.205 6.013 1.00 0.00 C ATOM 1139 O CYS A 118 15.567 -4.161 6.514 1.00 0.00 O ATOM 1140 CB CYS A 118 13.258 -4.108 4.762 1.00 0.00 C ATOM 1141 SG CYS A 118 13.394 -4.350 2.959 1.00 0.00 S ATOM 0 H CYS A 118 12.799 -4.653 7.376 1.00 0.00 H new ATOM 0 HA CYS A 118 13.566 -6.222 4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.227 -3.852 5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.875 -3.257 5.051 1.00 0.00 H new ATOM 1146 N GLU A 119 15.900 -6.283 5.824 1.00 0.00 N ATOM 1147 CA GLU A 119 17.318 -6.318 6.200 1.00 0.00 C ATOM 1148 C GLU A 119 18.175 -5.426 5.290 1.00 0.00 C ATOM 1149 O GLU A 119 18.007 -5.420 4.066 1.00 0.00 O ATOM 1150 CB GLU A 119 17.837 -7.761 6.152 1.00 0.00 C ATOM 1151 CG GLU A 119 17.245 -8.667 7.231 1.00 0.00 C ATOM 1152 CD GLU A 119 15.824 -9.127 6.935 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.352 -8.959 5.789 1.00 0.00 O ATOM 1154 OE2 GLU A 119 15.174 -9.666 7.853 1.00 0.00 O ATOM 0 H GLU A 119 15.556 -7.150 5.411 1.00 0.00 H new ATOM 0 HA GLU A 119 17.399 -5.930 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.614 -8.185 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.922 -7.750 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.884 -9.543 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.254 -8.137 8.183 1.00 0.00 H new