USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=17 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 114 ASN : amide:sc= -1.61 K(o=-1.4,f=0.12) USER MOD Set 1.2: A 116 SER OG : rot -56:sc= 0.216 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 62 THR OG1 : rot 91:sc= 0.0229 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -80:sc= 0.0723 USER MOD Single : A 70 CYS SG : rot 180:sc= -4.24! USER MOD Single : A 73 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.65) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -67:sc= 1.28 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 0.785 (180deg=0.491) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.975 USER MOD Single : A 94 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.7!) USER MOD Single : A 95 THR OG1 : rot 55:sc= 0.785 USER MOD Single : A 96 THR OG1 : rot -178:sc= -0.651 USER MOD Single : A 98 ASN : amide:sc= -0.312 K(o=-0.31,f=-4.3!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.3!) USER MOD Single : A 108 THR OG1 : rot -160:sc= 1.13! USER MOD Single : A 111 SER OG : rot 60:sc= 0.0589 USER MOD Single : A 115 TYR OH : rot 123:sc= -2.04! USER MOD Single : A 117 HIS : no HE2:sc= -10.6! C(o=-11!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -16.426 -1.305 0.619 1.00 0.00 N ATOM 230 CA TYR A 59 -15.265 -1.732 -0.158 1.00 0.00 C ATOM 231 C TYR A 59 -14.046 -0.861 0.145 1.00 0.00 C ATOM 232 O TYR A 59 -14.181 0.268 0.626 1.00 0.00 O ATOM 233 CB TYR A 59 -15.591 -1.687 -1.655 1.00 0.00 C ATOM 234 CG TYR A 59 -15.407 -3.016 -2.352 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.238 -4.090 -2.063 1.00 0.00 C ATOM 236 CD2 TYR A 59 -14.400 -3.199 -3.291 1.00 0.00 C ATOM 237 CE1 TYR A 59 -16.070 -5.310 -2.693 1.00 0.00 C ATOM 238 CE2 TYR A 59 -14.226 -4.415 -3.923 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.066 -5.468 -3.619 1.00 0.00 C ATOM 240 OH TYR A 59 -14.899 -6.686 -4.237 1.00 0.00 O ATOM 0 HA TYR A 59 -15.024 -2.757 0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.622 -1.357 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -14.956 -0.943 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -17.027 -3.971 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.742 -2.377 -3.531 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -16.725 -6.136 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.438 -4.541 -4.650 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.148 -6.634 -4.865 1.00 0.00 H new ATOM 250 N CYS A 60 -12.858 -1.393 -0.143 1.00 0.00 N ATOM 251 CA CYS A 60 -11.612 -0.667 0.098 1.00 0.00 C ATOM 252 C CYS A 60 -11.620 0.688 -0.609 1.00 0.00 C ATOM 253 O CYS A 60 -12.402 0.920 -1.529 1.00 0.00 O ATOM 254 CB CYS A 60 -10.410 -1.490 -0.369 1.00 0.00 C ATOM 255 SG CYS A 60 -10.143 -3.030 0.571 1.00 0.00 S ATOM 0 H CYS A 60 -12.733 -2.323 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.529 -0.497 1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.542 -1.739 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.513 -0.874 -0.297 1.00 0.00 H new ATOM 260 N ASN A 61 -10.741 1.579 -0.170 1.00 0.00 N ATOM 261 CA ASN A 61 -10.646 2.915 -0.757 1.00 0.00 C ATOM 262 C ASN A 61 -9.191 3.344 -0.931 1.00 0.00 C ATOM 263 O ASN A 61 -8.321 2.965 -0.143 1.00 0.00 O ATOM 264 CB ASN A 61 -11.395 3.932 0.116 1.00 0.00 C ATOM 265 CG ASN A 61 -11.923 5.110 -0.680 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.106 5.175 -1.003 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.049 6.055 -0.999 1.00 0.00 N ATOM 0 H ASN A 61 -10.083 1.404 0.589 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.107 2.881 -1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.226 3.434 0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.727 4.296 0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.352 6.871 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.074 5.966 -0.713 1.00 0.00 H new ATOM 274 N THR A 62 -8.939 4.141 -1.971 1.00 0.00 N ATOM 275 CA THR A 62 -7.594 4.636 -2.264 1.00 0.00 C ATOM 276 C THR A 62 -6.954 5.271 -1.032 1.00 0.00 C ATOM 277 O THR A 62 -7.411 6.309 -0.544 1.00 0.00 O ATOM 278 CB THR A 62 -7.626 5.650 -3.412 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.581 5.274 -4.389 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.296 5.795 -4.115 1.00 0.00 C ATOM 0 H THR A 62 -9.653 4.458 -2.627 1.00 0.00 H new ATOM 0 HA THR A 62 -6.990 3.779 -2.563 1.00 0.00 H new ATOM 0 HB THR A 62 -7.886 6.602 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.445 5.684 -4.176 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.386 6.527 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.542 6.129 -3.402 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.999 4.833 -4.534 1.00 0.00 H new ATOM 288 N THR A 63 -5.895 4.633 -0.535 1.00 0.00 N ATOM 289 CA THR A 63 -5.177 5.115 0.646 1.00 0.00 C ATOM 290 C THR A 63 -3.664 5.090 0.424 1.00 0.00 C ATOM 291 O THR A 63 -3.149 4.265 -0.332 1.00 0.00 O ATOM 292 CB THR A 63 -5.529 4.263 1.867 1.00 0.00 C ATOM 293 OG1 THR A 63 -4.867 4.741 3.023 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.151 2.810 1.710 1.00 0.00 C ATOM 0 H THR A 63 -5.513 3.776 -0.934 1.00 0.00 H new ATOM 0 HA THR A 63 -5.484 6.146 0.822 1.00 0.00 H new ATOM 0 HB THR A 63 -6.612 4.341 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.108 4.183 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.428 2.263 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.676 2.388 0.853 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.076 2.729 1.552 1.00 0.00 H new ATOM 302 N LEU A 64 -2.957 5.990 1.096 1.00 0.00 N ATOM 303 CA LEU A 64 -1.503 6.065 0.976 1.00 0.00 C ATOM 304 C LEU A 64 -0.818 5.705 2.295 1.00 0.00 C ATOM 305 O LEU A 64 -1.257 6.113 3.371 1.00 0.00 O ATOM 306 CB LEU A 64 -1.078 7.467 0.527 1.00 0.00 C ATOM 307 CG LEU A 64 0.427 7.656 0.314 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.765 7.617 -1.166 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.890 8.965 0.930 1.00 0.00 C ATOM 0 H LEU A 64 -3.364 6.678 1.729 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.191 5.340 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.593 7.705 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.417 8.188 1.271 1.00 0.00 H new ATOM 0 HG LEU A 64 0.950 6.837 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.838 7.753 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.467 6.654 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.232 8.416 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.962 9.084 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.359 9.795 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.682 8.957 2.000 1.00 0.00 H new ATOM 321 N ASP A 65 0.269 4.948 2.192 1.00 0.00 N ATOM 322 CA ASP A 65 1.045 4.529 3.357 1.00 0.00 C ATOM 323 C ASP A 65 2.233 5.479 3.568 1.00 0.00 C ATOM 324 O ASP A 65 2.410 6.437 2.812 1.00 0.00 O ATOM 325 CB ASP A 65 1.534 3.083 3.145 1.00 0.00 C ATOM 326 CG ASP A 65 1.899 2.354 4.428 1.00 0.00 C ATOM 327 OD1 ASP A 65 2.001 3.009 5.489 1.00 0.00 O ATOM 328 OD2 ASP A 65 2.091 1.123 4.368 1.00 0.00 O ATOM 0 H ASP A 65 0.637 4.608 1.304 1.00 0.00 H new ATOM 0 HA ASP A 65 0.419 4.566 4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.756 2.520 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.404 3.098 2.489 1.00 0.00 H new ATOM 333 N GLN A 66 3.047 5.208 4.588 1.00 0.00 N ATOM 334 CA GLN A 66 4.222 6.033 4.876 1.00 0.00 C ATOM 335 C GLN A 66 5.080 6.196 3.616 1.00 0.00 C ATOM 336 O GLN A 66 5.669 7.252 3.383 1.00 0.00 O ATOM 337 CB GLN A 66 5.049 5.403 6.001 1.00 0.00 C ATOM 338 CG GLN A 66 4.741 5.974 7.376 1.00 0.00 C ATOM 339 CD GLN A 66 5.987 6.185 8.211 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.753 7.114 7.977 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.201 5.318 9.188 1.00 0.00 N ATOM 0 H GLN A 66 2.915 4.425 5.228 1.00 0.00 H new ATOM 0 HA GLN A 66 3.885 7.018 5.198 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.869 4.328 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.108 5.546 5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.219 6.924 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.065 5.300 7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.539 4.559 9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.028 5.409 9.779 1.00 0.00 H new ATOM 350 N ILE A 67 5.121 5.140 2.800 1.00 0.00 N ATOM 351 CA ILE A 67 5.874 5.148 1.547 1.00 0.00 C ATOM 352 C ILE A 67 5.013 5.680 0.401 1.00 0.00 C ATOM 353 O ILE A 67 3.782 5.580 0.441 1.00 0.00 O ATOM 354 CB ILE A 67 6.389 3.736 1.172 1.00 0.00 C ATOM 355 CG1 ILE A 67 5.327 2.670 1.468 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.678 3.427 1.914 1.00 0.00 C ATOM 357 CD1 ILE A 67 5.302 1.541 0.463 1.00 0.00 C ATOM 0 H ILE A 67 4.637 4.262 2.989 1.00 0.00 H new ATOM 0 HA ILE A 67 6.732 5.803 1.702 1.00 0.00 H new ATOM 0 HB ILE A 67 6.593 3.721 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.506 2.257 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.346 3.144 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.026 2.431 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.437 4.163 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.497 3.465 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.526 0.826 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.092 1.941 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.270 1.040 0.454 1.00 0.00 H new ATOM 369 N GLY A 68 5.662 6.241 -0.623 1.00 0.00 N ATOM 370 CA GLY A 68 4.938 6.780 -1.772 1.00 0.00 C ATOM 371 C GLY A 68 4.202 5.717 -2.570 1.00 0.00 C ATOM 372 O GLY A 68 4.503 5.487 -3.740 1.00 0.00 O ATOM 0 H GLY A 68 6.676 6.332 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.222 7.525 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.641 7.295 -2.427 1.00 0.00 H new ATOM 376 N THR A 69 3.234 5.066 -1.933 1.00 0.00 N ATOM 377 CA THR A 69 2.445 4.023 -2.581 1.00 0.00 C ATOM 378 C THR A 69 0.960 4.213 -2.280 1.00 0.00 C ATOM 379 O THR A 69 0.530 4.116 -1.128 1.00 0.00 O ATOM 380 CB THR A 69 2.921 2.632 -2.120 1.00 0.00 C ATOM 381 OG1 THR A 69 4.019 2.181 -2.909 1.00 0.00 O ATOM 382 CG2 THR A 69 1.850 1.562 -2.191 1.00 0.00 C ATOM 0 H THR A 69 2.976 5.244 -0.962 1.00 0.00 H new ATOM 0 HA THR A 69 2.586 4.096 -3.659 1.00 0.00 H new ATOM 0 HB THR A 69 3.205 2.771 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.686 1.820 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.262 0.612 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.012 1.843 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.505 1.460 -3.220 1.00 0.00 H new ATOM 390 N CYS A 70 0.178 4.487 -3.321 1.00 0.00 N ATOM 391 CA CYS A 70 -1.261 4.683 -3.158 1.00 0.00 C ATOM 392 C CYS A 70 -2.001 3.368 -3.379 1.00 0.00 C ATOM 393 O CYS A 70 -1.935 2.784 -4.460 1.00 0.00 O ATOM 394 CB CYS A 70 -1.781 5.755 -4.122 1.00 0.00 C ATOM 395 SG CYS A 70 -3.304 6.581 -3.553 1.00 0.00 S ATOM 0 H CYS A 70 0.513 4.578 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.445 5.025 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.005 6.506 -4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.968 5.297 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.668 7.471 -4.428 1.00 0.00 H new ATOM 400 N TRP A 71 -2.696 2.908 -2.344 1.00 0.00 N ATOM 401 CA TRP A 71 -3.448 1.659 -2.409 1.00 0.00 C ATOM 402 C TRP A 71 -4.911 1.930 -2.743 1.00 0.00 C ATOM 403 O TRP A 71 -5.701 2.282 -1.863 1.00 0.00 O ATOM 404 CB TRP A 71 -3.344 0.904 -1.077 1.00 0.00 C ATOM 405 CG TRP A 71 -1.938 0.756 -0.584 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.236 1.648 0.173 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.062 -0.353 -0.818 1.00 0.00 C ATOM 408 NE1 TRP A 71 0.023 1.161 0.424 1.00 0.00 N ATOM 409 CE2 TRP A 71 0.154 -0.064 -0.176 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.189 -1.561 -1.509 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.237 -0.938 -0.204 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.113 -2.428 -1.535 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.085 -2.114 -0.887 1.00 0.00 C ATOM 0 H TRP A 71 -2.754 3.385 -1.444 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.019 1.042 -3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.932 1.429 -0.324 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.786 -0.085 -1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.615 2.597 0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.744 1.634 0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.110 -1.812 -2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.164 -0.697 0.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.199 -3.365 -2.065 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.907 -2.813 -0.926 1.00 0.00 H new ATOM 424 N PRO A 72 -5.295 1.777 -4.028 1.00 0.00 N ATOM 425 CA PRO A 72 -6.676 2.011 -4.478 1.00 0.00 C ATOM 426 C PRO A 72 -7.674 1.044 -3.843 1.00 0.00 C ATOM 427 O PRO A 72 -7.337 0.286 -2.932 1.00 0.00 O ATOM 428 CB PRO A 72 -6.611 1.779 -5.995 1.00 0.00 C ATOM 429 CG PRO A 72 -5.387 0.958 -6.211 1.00 0.00 C ATOM 430 CD PRO A 72 -4.418 1.366 -5.140 1.00 0.00 C ATOM 0 HA PRO A 72 -7.022 3.006 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.501 1.261 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.552 2.723 -6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.615 -0.106 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.969 1.134 -7.202 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.765 0.542 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.776 2.183 -5.469 1.00 0.00 H new ATOM 438 N GLN A 73 -8.902 1.069 -4.343 1.00 0.00 N ATOM 439 CA GLN A 73 -9.953 0.192 -3.847 1.00 0.00 C ATOM 440 C GLN A 73 -9.784 -1.217 -4.432 1.00 0.00 C ATOM 441 O GLN A 73 -10.188 -1.485 -5.562 1.00 0.00 O ATOM 442 CB GLN A 73 -11.322 0.786 -4.206 1.00 0.00 C ATOM 443 CG GLN A 73 -12.475 -0.213 -4.196 1.00 0.00 C ATOM 444 CD GLN A 73 -12.907 -0.628 -5.590 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.146 -1.802 -5.849 1.00 0.00 O ATOM 446 NE2 GLN A 73 -13.020 0.336 -6.494 1.00 0.00 N ATOM 0 H GLN A 73 -9.196 1.691 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.885 0.111 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.549 1.589 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.259 1.236 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.177 -1.098 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.325 0.225 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.812 1.301 -6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.315 0.112 -7.444 1.00 0.00 H new ATOM 455 N SER A 74 -9.160 -2.106 -3.657 1.00 0.00 N ATOM 456 CA SER A 74 -8.923 -3.481 -4.104 1.00 0.00 C ATOM 457 C SER A 74 -10.139 -4.366 -3.825 1.00 0.00 C ATOM 458 O SER A 74 -10.843 -4.777 -4.747 1.00 0.00 O ATOM 459 CB SER A 74 -7.674 -4.060 -3.421 1.00 0.00 C ATOM 460 OG SER A 74 -7.011 -4.984 -4.267 1.00 0.00 O ATOM 0 H SER A 74 -8.811 -1.900 -2.721 1.00 0.00 H new ATOM 0 HA SER A 74 -8.757 -3.462 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.993 -3.251 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.960 -4.553 -2.492 1.00 0.00 H new ATOM 0 HG SER A 74 -6.219 -5.336 -3.810 1.00 0.00 H new ATOM 466 N ALA A 75 -10.373 -4.648 -2.542 1.00 0.00 N ATOM 467 CA ALA A 75 -11.496 -5.480 -2.107 1.00 0.00 C ATOM 468 C ALA A 75 -11.366 -5.811 -0.620 1.00 0.00 C ATOM 469 O ALA A 75 -10.261 -6.049 -0.128 1.00 0.00 O ATOM 470 CB ALA A 75 -11.567 -6.765 -2.927 1.00 0.00 C ATOM 0 H ALA A 75 -9.791 -4.307 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.417 -4.919 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.409 -7.368 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.700 -6.518 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.643 -7.329 -2.801 1.00 0.00 H new ATOM 476 N PRO A 76 -12.491 -5.839 0.118 1.00 0.00 N ATOM 477 CA PRO A 76 -12.478 -6.154 1.549 1.00 0.00 C ATOM 478 C PRO A 76 -12.158 -7.632 1.796 1.00 0.00 C ATOM 479 O PRO A 76 -12.957 -8.515 1.479 1.00 0.00 O ATOM 480 CB PRO A 76 -13.899 -5.786 1.997 1.00 0.00 C ATOM 481 CG PRO A 76 -14.732 -5.976 0.779 1.00 0.00 C ATOM 482 CD PRO A 76 -13.857 -5.582 -0.380 1.00 0.00 C ATOM 0 HA PRO A 76 -11.710 -5.614 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.236 -6.425 2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.949 -4.758 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.060 -7.011 0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.630 -5.359 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.078 -6.173 -1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.996 -4.535 -0.650 1.00 0.00 H new ATOM 490 N GLY A 77 -10.973 -7.885 2.347 1.00 0.00 N ATOM 491 CA GLY A 77 -10.534 -9.250 2.615 1.00 0.00 C ATOM 492 C GLY A 77 -9.448 -9.701 1.651 1.00 0.00 C ATOM 493 O GLY A 77 -9.418 -10.859 1.233 1.00 0.00 O ATOM 0 H GLY A 77 -10.303 -7.165 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.161 -9.316 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.386 -9.925 2.542 1.00 0.00 H new ATOM 497 N ALA A 78 -8.557 -8.774 1.291 1.00 0.00 N ATOM 498 CA ALA A 78 -7.466 -9.061 0.368 1.00 0.00 C ATOM 499 C ALA A 78 -6.189 -8.335 0.792 1.00 0.00 C ATOM 500 O ALA A 78 -6.204 -7.132 1.049 1.00 0.00 O ATOM 501 CB ALA A 78 -7.862 -8.662 -1.048 1.00 0.00 C ATOM 0 H ALA A 78 -8.574 -7.812 1.630 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.267 -10.133 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.041 -8.880 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.745 -9.225 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.084 -7.595 -1.077 1.00 0.00 H new ATOM 507 N LEU A 79 -5.088 -9.074 0.869 1.00 0.00 N ATOM 508 CA LEU A 79 -3.802 -8.498 1.268 1.00 0.00 C ATOM 509 C LEU A 79 -2.847 -8.384 0.082 1.00 0.00 C ATOM 510 O LEU A 79 -2.672 -9.334 -0.682 1.00 0.00 O ATOM 511 CB LEU A 79 -3.166 -9.344 2.382 1.00 0.00 C ATOM 512 CG LEU A 79 -1.802 -8.857 2.892 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.591 -9.295 4.331 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.681 -9.384 2.010 1.00 0.00 C ATOM 0 H LEU A 79 -5.056 -10.072 0.661 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.989 -7.492 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.856 -9.380 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.054 -10.365 2.018 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.788 -7.768 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.620 -8.943 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.377 -8.874 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.625 -10.383 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.277 -9.028 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.692 -10.474 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.823 -9.029 0.989 1.00 0.00 H new ATOM 526 N VAL A 80 -2.220 -7.213 -0.056 1.00 0.00 N ATOM 527 CA VAL A 80 -1.270 -6.973 -1.141 1.00 0.00 C ATOM 528 C VAL A 80 0.164 -6.923 -0.611 1.00 0.00 C ATOM 529 O VAL A 80 0.409 -6.476 0.514 1.00 0.00 O ATOM 530 CB VAL A 80 -1.592 -5.671 -1.901 1.00 0.00 C ATOM 531 CG1 VAL A 80 -0.619 -5.463 -3.054 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.022 -5.699 -2.415 1.00 0.00 C ATOM 0 H VAL A 80 -2.354 -6.419 0.570 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.362 -7.807 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.485 -4.836 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.866 -4.538 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.397 -5.401 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.692 -6.301 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.235 -4.773 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.149 -6.545 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.709 -5.799 -1.575 1.00 0.00 H new ATOM 542 N GLU A 81 1.098 -7.413 -1.419 1.00 0.00 N ATOM 543 CA GLU A 81 2.509 -7.465 -1.040 1.00 0.00 C ATOM 544 C GLU A 81 3.392 -6.632 -1.974 1.00 0.00 C ATOM 545 O GLU A 81 3.166 -6.577 -3.183 1.00 0.00 O ATOM 546 CB GLU A 81 3.001 -8.923 -1.049 1.00 0.00 C ATOM 547 CG GLU A 81 1.896 -9.962 -1.239 1.00 0.00 C ATOM 548 CD GLU A 81 1.499 -10.151 -2.694 1.00 0.00 C ATOM 549 OE1 GLU A 81 0.762 -9.291 -3.227 1.00 0.00 O ATOM 550 OE2 GLU A 81 1.921 -11.159 -3.298 1.00 0.00 O ATOM 0 H GLU A 81 0.903 -7.783 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 81 2.588 -7.043 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.735 -9.041 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.516 -9.126 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.230 -10.917 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.019 -9.660 -0.666 1.00 0.00 H new ATOM 557 N ARG A 82 4.417 -6.007 -1.396 1.00 0.00 N ATOM 558 CA ARG A 82 5.367 -5.194 -2.157 1.00 0.00 C ATOM 559 C ARG A 82 6.678 -5.036 -1.381 1.00 0.00 C ATOM 560 O ARG A 82 6.686 -5.031 -0.151 1.00 0.00 O ATOM 561 CB ARG A 82 4.771 -3.818 -2.484 1.00 0.00 C ATOM 562 CG ARG A 82 4.396 -2.993 -1.259 1.00 0.00 C ATOM 563 CD ARG A 82 5.594 -2.254 -0.672 1.00 0.00 C ATOM 564 NE ARG A 82 6.417 -1.607 -1.702 1.00 0.00 N ATOM 565 CZ ARG A 82 6.044 -0.536 -2.396 1.00 0.00 C ATOM 566 NH1 ARG A 82 4.870 0.031 -2.179 1.00 0.00 N ATOM 567 NH2 ARG A 82 6.853 -0.034 -3.305 1.00 0.00 N ATOM 0 H ARG A 82 4.612 -6.048 -0.396 1.00 0.00 H new ATOM 0 HA ARG A 82 5.576 -5.707 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.489 -3.256 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.883 -3.956 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.625 -2.272 -1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.968 -3.647 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.242 -1.501 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.209 -2.956 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 82 7.335 -2.006 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.241 -0.353 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.593 0.852 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.761 -0.467 -3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.572 0.787 -3.840 1.00 0.00 H new ATOM 581 N PRO A 83 7.815 -4.914 -2.083 1.00 0.00 N ATOM 582 CA PRO A 83 9.118 -4.765 -1.432 1.00 0.00 C ATOM 583 C PRO A 83 9.396 -3.335 -0.980 1.00 0.00 C ATOM 584 O PRO A 83 8.913 -2.374 -1.591 1.00 0.00 O ATOM 585 CB PRO A 83 10.097 -5.167 -2.530 1.00 0.00 C ATOM 586 CG PRO A 83 9.413 -4.795 -3.805 1.00 0.00 C ATOM 587 CD PRO A 83 7.930 -4.923 -3.556 1.00 0.00 C ATOM 0 HA PRO A 83 9.187 -5.364 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.047 -4.644 -2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.315 -6.234 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.669 -3.777 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.727 -5.450 -4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.377 -4.098 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.531 -5.844 -3.982 1.00 0.00 H new ATOM 595 N CYS A 84 10.201 -3.199 0.072 1.00 0.00 N ATOM 596 CA CYS A 84 10.579 -1.882 0.587 1.00 0.00 C ATOM 597 C CYS A 84 11.203 -1.064 -0.537 1.00 0.00 C ATOM 598 O CYS A 84 11.726 -1.633 -1.498 1.00 0.00 O ATOM 599 CB CYS A 84 11.589 -2.016 1.730 1.00 0.00 C ATOM 600 SG CYS A 84 10.893 -1.745 3.389 1.00 0.00 S ATOM 0 H CYS A 84 10.604 -3.983 0.585 1.00 0.00 H new ATOM 0 HA CYS A 84 9.685 -1.386 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 84 12.030 -3.012 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 84 12.398 -1.303 1.568 1.00 0.00 H new ATOM 605 N PRO A 85 11.176 0.274 -0.452 1.00 0.00 N ATOM 606 CA PRO A 85 11.757 1.116 -1.500 1.00 0.00 C ATOM 607 C PRO A 85 13.299 1.097 -1.519 1.00 0.00 C ATOM 608 O PRO A 85 13.935 2.141 -1.669 1.00 0.00 O ATOM 609 CB PRO A 85 11.221 2.510 -1.166 1.00 0.00 C ATOM 610 CG PRO A 85 10.974 2.482 0.300 1.00 0.00 C ATOM 611 CD PRO A 85 10.587 1.068 0.644 1.00 0.00 C ATOM 0 HA PRO A 85 11.484 0.766 -2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.941 3.284 -1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 85 10.305 2.724 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.866 2.784 0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.181 3.178 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.983 0.768 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.505 0.948 0.690 1.00 0.00 H new ATOM 619 N GLU A 86 13.883 -0.104 -1.394 1.00 0.00 N ATOM 620 CA GLU A 86 15.339 -0.301 -1.411 1.00 0.00 C ATOM 621 C GLU A 86 16.081 0.608 -0.414 1.00 0.00 C ATOM 622 O GLU A 86 16.401 0.181 0.697 1.00 0.00 O ATOM 623 CB GLU A 86 15.887 -0.111 -2.831 1.00 0.00 C ATOM 624 CG GLU A 86 17.294 -0.664 -3.012 1.00 0.00 C ATOM 625 CD GLU A 86 17.986 -0.146 -4.256 1.00 0.00 C ATOM 626 OE1 GLU A 86 17.350 -0.125 -5.329 1.00 0.00 O ATOM 627 OE2 GLU A 86 19.175 0.229 -4.155 1.00 0.00 O ATOM 0 H GLU A 86 13.356 -0.969 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 86 15.522 -1.326 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.218 -0.599 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.888 0.952 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.893 -0.408 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.246 -1.752 -3.058 1.00 0.00 H new ATOM 634 N TYR A 87 16.367 1.848 -0.818 1.00 0.00 N ATOM 635 CA TYR A 87 17.086 2.795 0.034 1.00 0.00 C ATOM 636 C TYR A 87 16.206 3.323 1.169 1.00 0.00 C ATOM 637 O TYR A 87 15.393 4.229 0.973 1.00 0.00 O ATOM 638 CB TYR A 87 17.619 3.962 -0.805 1.00 0.00 C ATOM 639 CG TYR A 87 18.730 4.730 -0.125 1.00 0.00 C ATOM 640 CD1 TYR A 87 20.024 4.237 -0.104 1.00 0.00 C ATOM 641 CD2 TYR A 87 18.479 5.943 0.503 1.00 0.00 C ATOM 642 CE1 TYR A 87 21.043 4.925 0.524 1.00 0.00 C ATOM 643 CE2 TYR A 87 19.496 6.640 1.134 1.00 0.00 C ATOM 644 CZ TYR A 87 20.772 6.126 1.140 1.00 0.00 C ATOM 645 OH TYR A 87 21.783 6.809 1.771 1.00 0.00 O ATOM 0 H TYR A 87 16.110 2.219 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 87 17.922 2.261 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 87 17.983 3.579 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.799 4.644 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 87 20.240 3.296 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.478 6.348 0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 87 22.046 4.524 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.288 7.582 1.619 1.00 0.00 H new ATOM 0 HH TYR A 87 22.078 6.304 2.557 1.00 0.00 H new ATOM 655 N PHE A 88 16.391 2.758 2.358 1.00 0.00 N ATOM 656 CA PHE A 88 15.633 3.175 3.537 1.00 0.00 C ATOM 657 C PHE A 88 16.566 3.550 4.687 1.00 0.00 C ATOM 658 O PHE A 88 17.721 3.124 4.724 1.00 0.00 O ATOM 659 CB PHE A 88 14.678 2.072 3.982 1.00 0.00 C ATOM 660 CG PHE A 88 13.292 2.573 4.258 1.00 0.00 C ATOM 661 CD1 PHE A 88 12.400 2.743 3.220 1.00 0.00 C ATOM 662 CD2 PHE A 88 12.883 2.867 5.547 1.00 0.00 C ATOM 663 CE1 PHE A 88 11.119 3.198 3.454 1.00 0.00 C ATOM 664 CE2 PHE A 88 11.601 3.323 5.792 1.00 0.00 C ATOM 665 CZ PHE A 88 10.716 3.489 4.743 1.00 0.00 C ATOM 0 H PHE A 88 17.060 2.008 2.533 1.00 0.00 H new ATOM 0 HA PHE A 88 15.052 4.056 3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.634 1.304 3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.073 1.598 4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.709 2.517 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 88 13.572 2.739 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.432 3.327 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.291 3.549 6.802 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.714 3.845 4.930 1.00 0.00 H new ATOM 675 N ASN A 89 16.061 4.362 5.621 1.00 0.00 N ATOM 676 CA ASN A 89 16.859 4.805 6.770 1.00 0.00 C ATOM 677 C ASN A 89 18.210 5.377 6.317 1.00 0.00 C ATOM 678 O ASN A 89 19.189 5.341 7.065 1.00 0.00 O ATOM 679 CB ASN A 89 17.091 3.634 7.735 1.00 0.00 C ATOM 680 CG ASN A 89 16.000 3.514 8.780 1.00 0.00 C ATOM 681 OD1 ASN A 89 14.982 2.866 8.558 1.00 0.00 O ATOM 682 ND2 ASN A 89 16.208 4.141 9.928 1.00 0.00 N ATOM 0 H ASN A 89 15.108 4.725 5.605 1.00 0.00 H new ATOM 0 HA ASN A 89 16.305 5.592 7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.148 2.706 7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.052 3.763 8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.508 4.096 10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.069 4.669 10.072 1.00 0.00 H new ATOM 689 N GLY A 90 18.260 5.887 5.081 1.00 0.00 N ATOM 690 CA GLY A 90 19.500 6.427 4.545 1.00 0.00 C ATOM 691 C GLY A 90 20.539 5.348 4.271 1.00 0.00 C ATOM 692 O GLY A 90 21.709 5.661 4.042 1.00 0.00 O ATOM 0 H GLY A 90 17.464 5.934 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 90 19.288 6.965 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.911 7.151 5.249 1.00 0.00 H new ATOM 696 N ILE A 91 20.115 4.079 4.296 1.00 0.00 N ATOM 697 CA ILE A 91 21.019 2.957 4.062 1.00 0.00 C ATOM 698 C ILE A 91 20.847 2.368 2.658 1.00 0.00 C ATOM 699 O ILE A 91 19.749 2.383 2.095 1.00 0.00 O ATOM 700 CB ILE A 91 20.808 1.859 5.134 1.00 0.00 C ATOM 701 CG1 ILE A 91 22.132 1.177 5.457 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.772 0.835 4.693 1.00 0.00 C ATOM 703 CD1 ILE A 91 23.204 2.136 5.930 1.00 0.00 C ATOM 0 H ILE A 91 19.149 3.808 4.477 1.00 0.00 H new ATOM 0 HA ILE A 91 22.037 3.338 4.137 1.00 0.00 H new ATOM 0 HB ILE A 91 20.428 2.341 6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 91 21.965 0.423 6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 91 22.489 0.654 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.652 0.081 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.818 1.334 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.103 0.356 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 91 24.119 1.583 6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.399 2.876 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 91 22.867 2.640 6.836 1.00 0.00 H new ATOM 715 N LYS A 92 21.944 1.854 2.094 1.00 0.00 N ATOM 716 CA LYS A 92 21.913 1.270 0.752 1.00 0.00 C ATOM 717 C LYS A 92 22.220 -0.234 0.770 1.00 0.00 C ATOM 718 O LYS A 92 23.040 -0.720 -0.012 1.00 0.00 O ATOM 719 CB LYS A 92 22.908 1.997 -0.169 1.00 0.00 C ATOM 720 CG LYS A 92 22.380 2.329 -1.568 1.00 0.00 C ATOM 721 CD LYS A 92 21.276 1.381 -2.040 1.00 0.00 C ATOM 722 CE LYS A 92 21.777 -0.046 -2.227 1.00 0.00 C ATOM 723 NZ LYS A 92 21.408 -0.585 -3.567 1.00 0.00 N ATOM 0 H LYS A 92 22.859 1.831 2.544 1.00 0.00 H new ATOM 0 HA LYS A 92 20.901 1.396 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 92 23.216 2.924 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.800 1.380 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.998 3.350 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.206 2.295 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.462 1.385 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 92 20.866 1.746 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.860 -0.070 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 92 21.358 -0.684 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.548 -1.615 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.410 -0.369 -3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.008 -0.147 -4.295 1.00 0.00 H new ATOM 737 N TYR A 93 21.542 -0.974 1.642 1.00 0.00 N ATOM 738 CA TYR A 93 21.732 -2.424 1.724 1.00 0.00 C ATOM 739 C TYR A 93 20.670 -3.070 2.613 1.00 0.00 C ATOM 740 O TYR A 93 20.729 -2.979 3.841 1.00 0.00 O ATOM 741 CB TYR A 93 23.147 -2.804 2.207 1.00 0.00 C ATOM 742 CG TYR A 93 23.892 -1.720 2.958 1.00 0.00 C ATOM 743 CD1 TYR A 93 23.724 -1.559 4.324 1.00 0.00 C ATOM 744 CD2 TYR A 93 24.777 -0.873 2.304 1.00 0.00 C ATOM 745 CE1 TYR A 93 24.416 -0.587 5.019 1.00 0.00 C ATOM 746 CE2 TYR A 93 25.470 0.105 2.992 1.00 0.00 C ATOM 747 CZ TYR A 93 25.286 0.243 4.347 1.00 0.00 C ATOM 748 OH TYR A 93 25.979 1.210 5.036 1.00 0.00 O ATOM 0 H TYR A 93 20.859 -0.599 2.300 1.00 0.00 H new ATOM 0 HA TYR A 93 21.620 -2.811 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 93 23.069 -3.680 2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 93 23.741 -3.096 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.040 -2.205 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 93 24.926 -0.980 1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.276 -0.478 6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 93 26.153 0.757 2.468 1.00 0.00 H new ATOM 0 HH TYR A 93 26.550 1.708 4.415 1.00 0.00 H new ATOM 758 N ASN A 94 19.697 -3.717 1.964 1.00 0.00 N ATOM 759 CA ASN A 94 18.589 -4.399 2.644 1.00 0.00 C ATOM 760 C ASN A 94 17.539 -4.844 1.622 1.00 0.00 C ATOM 761 O ASN A 94 16.722 -4.045 1.165 1.00 0.00 O ATOM 762 CB ASN A 94 17.944 -3.495 3.709 1.00 0.00 C ATOM 763 CG ASN A 94 17.636 -2.099 3.187 1.00 0.00 C ATOM 764 OD1 ASN A 94 18.528 -1.270 3.022 1.00 0.00 O ATOM 765 ND2 ASN A 94 16.369 -1.831 2.918 1.00 0.00 N ATOM 0 H ASN A 94 19.655 -3.783 0.947 1.00 0.00 H new ATOM 0 HA ASN A 94 18.992 -5.277 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.023 -3.958 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.612 -3.418 4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.107 -0.912 2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.654 -2.543 3.067 1.00 0.00 H new ATOM 772 N THR A 95 17.583 -6.122 1.250 1.00 0.00 N ATOM 773 CA THR A 95 16.646 -6.669 0.265 1.00 0.00 C ATOM 774 C THR A 95 16.330 -8.132 0.558 1.00 0.00 C ATOM 775 O THR A 95 16.868 -9.034 -0.087 1.00 0.00 O ATOM 776 CB THR A 95 17.216 -6.535 -1.155 1.00 0.00 C ATOM 777 OG1 THR A 95 18.432 -7.248 -1.273 1.00 0.00 O ATOM 778 CG2 THR A 95 17.493 -5.108 -1.569 1.00 0.00 C ATOM 0 H THR A 95 18.255 -6.798 1.613 1.00 0.00 H new ATOM 0 HA THR A 95 15.722 -6.095 0.334 1.00 0.00 H new ATOM 0 HB THR A 95 16.443 -6.941 -1.808 1.00 0.00 H new ATOM 0 HG1 THR A 95 18.294 -8.178 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 95 17.893 -5.094 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.567 -4.534 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 95 18.218 -4.665 -0.886 1.00 0.00 H new ATOM 786 N THR A 96 15.463 -8.365 1.538 1.00 0.00 N ATOM 787 CA THR A 96 15.083 -9.728 1.920 1.00 0.00 C ATOM 788 C THR A 96 13.576 -9.848 2.143 1.00 0.00 C ATOM 789 O THR A 96 12.869 -10.452 1.339 1.00 0.00 O ATOM 790 CB THR A 96 15.832 -10.155 3.186 1.00 0.00 C ATOM 791 OG1 THR A 96 15.696 -9.175 4.206 1.00 0.00 O ATOM 792 CG2 THR A 96 17.310 -10.387 2.956 1.00 0.00 C ATOM 0 H THR A 96 15.009 -7.632 2.083 1.00 0.00 H new ATOM 0 HA THR A 96 15.358 -10.389 1.098 1.00 0.00 H new ATOM 0 HB THR A 96 15.378 -11.099 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.206 -9.452 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.781 -10.687 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 96 17.444 -11.174 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.771 -9.467 2.596 1.00 0.00 H new ATOM 800 N ARG A 97 13.099 -9.274 3.245 1.00 0.00 N ATOM 801 CA ARG A 97 11.674 -9.315 3.591 1.00 0.00 C ATOM 802 C ARG A 97 10.837 -8.465 2.626 1.00 0.00 C ATOM 803 O ARG A 97 11.365 -7.892 1.678 1.00 0.00 O ATOM 804 CB ARG A 97 11.482 -8.833 5.032 1.00 0.00 C ATOM 805 CG ARG A 97 12.261 -9.651 6.052 1.00 0.00 C ATOM 806 CD ARG A 97 13.510 -8.924 6.535 1.00 0.00 C ATOM 807 NE ARG A 97 13.660 -9.036 7.989 1.00 0.00 N ATOM 808 CZ ARG A 97 14.399 -8.226 8.735 1.00 0.00 C ATOM 809 NH1 ARG A 97 15.126 -7.276 8.188 1.00 0.00 N ATOM 810 NH2 ARG A 97 14.422 -8.375 10.042 1.00 0.00 N ATOM 0 H ARG A 97 13.678 -8.772 3.918 1.00 0.00 H new ATOM 0 HA ARG A 97 11.329 -10.345 3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.790 -7.790 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.422 -8.870 5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.619 -9.874 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.546 -10.606 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.389 -9.340 6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.454 -7.873 6.252 1.00 0.00 H new ATOM 0 HE ARG A 97 13.161 -9.790 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.127 -7.154 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.689 -6.662 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.872 -9.113 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.990 -7.752 10.616 1.00 0.00 H new ATOM 824 N ASN A 98 9.529 -8.383 2.874 1.00 0.00 N ATOM 825 CA ASN A 98 8.639 -7.594 2.021 1.00 0.00 C ATOM 826 C ASN A 98 7.636 -6.793 2.849 1.00 0.00 C ATOM 827 O ASN A 98 7.440 -7.057 4.037 1.00 0.00 O ATOM 828 CB ASN A 98 7.895 -8.497 1.029 1.00 0.00 C ATOM 829 CG ASN A 98 8.660 -8.694 -0.267 1.00 0.00 C ATOM 830 OD1 ASN A 98 9.372 -7.801 -0.724 1.00 0.00 O ATOM 831 ND2 ASN A 98 8.511 -9.864 -0.872 1.00 0.00 N ATOM 0 H ASN A 98 9.065 -8.850 3.653 1.00 0.00 H new ATOM 0 HA ASN A 98 9.260 -6.892 1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.715 -9.467 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.920 -8.063 0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.996 -10.050 -1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.911 -10.579 -0.460 1.00 0.00 H new ATOM 838 N ALA A 99 7.002 -5.822 2.200 1.00 0.00 N ATOM 839 CA ALA A 99 6.007 -4.963 2.838 1.00 0.00 C ATOM 840 C ALA A 99 4.594 -5.324 2.365 1.00 0.00 C ATOM 841 O ALA A 99 4.224 -5.054 1.221 1.00 0.00 O ATOM 842 CB ALA A 99 6.329 -3.496 2.543 1.00 0.00 C ATOM 0 H ALA A 99 7.163 -5.607 1.216 1.00 0.00 H new ATOM 0 HA ALA A 99 6.042 -5.118 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.586 -2.857 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.318 -3.255 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.313 -3.329 1.466 1.00 0.00 H new ATOM 848 N TYR A 100 3.814 -5.956 3.242 1.00 0.00 N ATOM 849 CA TYR A 100 2.452 -6.375 2.900 1.00 0.00 C ATOM 850 C TYR A 100 1.398 -5.405 3.437 1.00 0.00 C ATOM 851 O TYR A 100 1.482 -4.934 4.573 1.00 0.00 O ATOM 852 CB TYR A 100 2.178 -7.787 3.434 1.00 0.00 C ATOM 853 CG TYR A 100 3.174 -8.828 2.963 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.495 -8.814 3.398 1.00 0.00 C ATOM 855 CD2 TYR A 100 2.789 -9.827 2.078 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.400 -9.763 2.965 1.00 0.00 C ATOM 857 CE2 TYR A 100 3.690 -10.779 1.640 1.00 0.00 C ATOM 858 CZ TYR A 100 4.992 -10.742 2.086 1.00 0.00 C ATOM 859 OH TYR A 100 5.895 -11.684 1.650 1.00 0.00 O ATOM 0 H TYR A 100 4.100 -6.189 4.193 1.00 0.00 H new ATOM 0 HA TYR A 100 2.380 -6.375 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.184 -7.760 4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.177 -8.092 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.819 -8.047 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.768 -9.860 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.422 -9.738 3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.374 -11.548 0.951 1.00 0.00 H new ATOM 0 HH TYR A 100 5.450 -12.304 1.036 1.00 0.00 H new ATOM 869 N ARG A 101 0.395 -5.127 2.610 1.00 0.00 N ATOM 870 CA ARG A 101 -0.699 -4.233 2.981 1.00 0.00 C ATOM 871 C ARG A 101 -2.038 -4.959 2.832 1.00 0.00 C ATOM 872 O ARG A 101 -2.466 -5.289 1.721 1.00 0.00 O ATOM 873 CB ARG A 101 -0.647 -2.959 2.128 1.00 0.00 C ATOM 874 CG ARG A 101 0.369 -1.945 2.635 1.00 0.00 C ATOM 875 CD ARG A 101 -0.208 -1.069 3.734 1.00 0.00 C ATOM 876 NE ARG A 101 -1.369 -0.300 3.279 1.00 0.00 N ATOM 877 CZ ARG A 101 -2.299 0.188 4.091 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.191 0.034 5.396 1.00 0.00 N ATOM 879 NH2 ARG A 101 -3.331 0.840 3.596 1.00 0.00 N ATOM 0 H ARG A 101 0.317 -5.512 1.669 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.593 -3.938 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.403 -3.226 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.635 -2.498 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.248 -2.468 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.701 -1.318 1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.497 -1.693 4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.561 -0.384 4.092 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.469 -0.129 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.390 -0.462 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.909 0.411 6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.416 0.970 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.045 1.215 4.221 1.00 0.00 H new ATOM 893 N GLU A 102 -2.677 -5.242 3.966 1.00 0.00 N ATOM 894 CA GLU A 102 -3.944 -5.966 3.979 1.00 0.00 C ATOM 895 C GLU A 102 -5.150 -5.041 3.817 1.00 0.00 C ATOM 896 O GLU A 102 -5.149 -3.907 4.296 1.00 0.00 O ATOM 897 CB GLU A 102 -4.073 -6.765 5.280 1.00 0.00 C ATOM 898 CG GLU A 102 -5.204 -7.787 5.261 1.00 0.00 C ATOM 899 CD GLU A 102 -4.884 -9.037 6.052 1.00 0.00 C ATOM 900 OE1 GLU A 102 -4.980 -8.990 7.297 1.00 0.00 O ATOM 901 OE2 GLU A 102 -4.533 -10.059 5.432 1.00 0.00 O ATOM 0 H GLU A 102 -2.335 -4.979 4.890 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.938 -6.642 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.132 -7.280 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.234 -6.073 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.107 -7.329 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.420 -8.062 4.229 1.00 0.00 H new ATOM 908 N CYS A 103 -6.184 -5.549 3.152 1.00 0.00 N ATOM 909 CA CYS A 103 -7.417 -4.797 2.936 1.00 0.00 C ATOM 910 C CYS A 103 -8.550 -5.429 3.738 1.00 0.00 C ATOM 911 O CYS A 103 -9.184 -6.383 3.280 1.00 0.00 O ATOM 912 CB CYS A 103 -7.771 -4.744 1.446 1.00 0.00 C ATOM 913 SG CYS A 103 -8.130 -3.068 0.831 1.00 0.00 S ATOM 0 H CYS A 103 -6.192 -6.487 2.750 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.269 -3.773 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.944 -5.162 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.638 -5.380 1.266 1.00 0.00 H new ATOM 918 N LEU A 104 -8.774 -4.903 4.944 1.00 0.00 N ATOM 919 CA LEU A 104 -9.809 -5.412 5.850 1.00 0.00 C ATOM 920 C LEU A 104 -11.112 -5.737 5.119 1.00 0.00 C ATOM 921 O LEU A 104 -11.583 -4.970 4.275 1.00 0.00 O ATOM 922 CB LEU A 104 -10.072 -4.408 6.979 1.00 0.00 C ATOM 923 CG LEU A 104 -9.612 -4.860 8.366 1.00 0.00 C ATOM 924 CD1 LEU A 104 -8.098 -4.932 8.428 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.141 -3.922 9.438 1.00 0.00 C ATOM 0 H LEU A 104 -8.246 -4.115 5.320 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.434 -6.343 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.573 -3.470 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.141 -4.199 7.017 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.014 -5.856 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.790 -5.255 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.737 -5.645 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.678 -3.948 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.803 -4.261 10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.770 -2.914 9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.231 -3.918 9.412 1.00 0.00 H new ATOM 937 N GLU A 105 -11.683 -6.886 5.462 1.00 0.00 N ATOM 938 CA GLU A 105 -12.933 -7.351 4.857 1.00 0.00 C ATOM 939 C GLU A 105 -14.166 -6.657 5.450 1.00 0.00 C ATOM 940 O GLU A 105 -15.298 -7.028 5.132 1.00 0.00 O ATOM 941 CB GLU A 105 -13.073 -8.878 4.990 1.00 0.00 C ATOM 942 CG GLU A 105 -12.474 -9.464 6.265 1.00 0.00 C ATOM 943 CD GLU A 105 -10.988 -9.746 6.140 1.00 0.00 C ATOM 944 OE1 GLU A 105 -10.629 -10.821 5.619 1.00 0.00 O ATOM 945 OE2 GLU A 105 -10.187 -8.881 6.556 1.00 0.00 O ATOM 0 H GLU A 105 -11.298 -7.520 6.162 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.884 -7.086 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.131 -9.137 4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.596 -9.349 4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.640 -8.772 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.995 -10.388 6.514 1.00 0.00 H new ATOM 952 N ASN A 106 -13.956 -5.643 6.292 1.00 0.00 N ATOM 953 CA ASN A 106 -15.066 -4.917 6.895 1.00 0.00 C ATOM 954 C ASN A 106 -15.007 -3.420 6.568 1.00 0.00 C ATOM 955 O ASN A 106 -15.618 -2.607 7.267 1.00 0.00 O ATOM 956 CB ASN A 106 -15.069 -5.129 8.412 1.00 0.00 C ATOM 957 CG ASN A 106 -13.782 -4.681 9.076 1.00 0.00 C ATOM 958 OD1 ASN A 106 -12.922 -5.496 9.394 1.00 0.00 O ATOM 959 ND2 ASN A 106 -13.642 -3.382 9.292 1.00 0.00 N ATOM 0 H ASN A 106 -13.032 -5.311 6.568 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.991 -5.310 6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.905 -4.583 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.233 -6.185 8.625 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -12.796 -3.027 9.738 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.380 -2.736 9.013 1.00 0.00 H new ATOM 966 N GLY A 107 -14.275 -3.052 5.508 1.00 0.00 N ATOM 967 CA GLY A 107 -14.180 -1.649 5.143 1.00 0.00 C ATOM 968 C GLY A 107 -13.128 -1.344 4.091 1.00 0.00 C ATOM 969 O GLY A 107 -13.465 -1.069 2.944 1.00 0.00 O ATOM 0 H GLY A 107 -13.756 -3.693 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.151 -1.315 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.960 -1.067 6.038 1.00 0.00 H new ATOM 973 N THR A 108 -11.855 -1.368 4.483 1.00 0.00 N ATOM 974 CA THR A 108 -10.761 -1.058 3.549 1.00 0.00 C ATOM 975 C THR A 108 -9.400 -1.494 4.083 1.00 0.00 C ATOM 976 O THR A 108 -9.302 -2.283 5.019 1.00 0.00 O ATOM 977 CB THR A 108 -10.736 0.451 3.236 1.00 0.00 C ATOM 978 OG1 THR A 108 -9.723 0.767 2.282 1.00 0.00 O ATOM 979 CG2 THR A 108 -10.501 1.314 4.459 1.00 0.00 C ATOM 0 H THR A 108 -11.552 -1.596 5.430 1.00 0.00 H new ATOM 0 HA THR A 108 -10.954 -1.622 2.636 1.00 0.00 H new ATOM 0 HB THR A 108 -11.726 0.670 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.511 1.722 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.495 2.364 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.297 1.143 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.541 1.057 4.907 1.00 0.00 H new ATOM 987 N TRP A 109 -8.360 -0.967 3.455 1.00 0.00 N ATOM 988 CA TRP A 109 -6.969 -1.269 3.810 1.00 0.00 C ATOM 989 C TRP A 109 -6.718 -1.204 5.321 1.00 0.00 C ATOM 990 O TRP A 109 -7.305 -0.385 6.030 1.00 0.00 O ATOM 991 CB TRP A 109 -6.029 -0.312 3.081 1.00 0.00 C ATOM 992 CG TRP A 109 -6.105 -0.433 1.591 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.699 0.438 0.726 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.581 -1.497 0.791 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.566 -0.015 -0.562 1.00 0.00 N ATOM 996 CE2 TRP A 109 -5.886 -1.197 -0.548 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.880 -2.672 1.075 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.517 -2.025 -1.600 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.516 -3.496 0.028 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -4.836 -3.168 -1.295 1.00 0.00 C ATOM 0 H TRP A 109 -8.451 -0.312 2.678 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.771 -2.295 3.498 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.268 0.712 3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.005 -0.503 3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.201 1.350 1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.919 0.456 -1.395 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.628 -2.931 2.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.760 -1.774 -2.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.976 -4.408 0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.538 -3.834 -2.091 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.843 -2.092 5.798 1.00 0.00 N ATOM 1012 CA ALA A 110 -5.499 -2.174 7.216 1.00 0.00 C ATOM 1013 C ALA A 110 -4.251 -1.332 7.547 1.00 0.00 C ATOM 1014 O ALA A 110 -4.050 -0.253 6.977 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.298 -3.637 7.594 1.00 0.00 C ATOM 0 H ALA A 110 -5.356 -2.771 5.214 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.318 -1.760 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.041 -3.708 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.218 -4.191 7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.491 -4.060 6.995 1.00 0.00 H new ATOM 1021 N SER A 111 -3.420 -1.825 8.474 1.00 0.00 N ATOM 1022 CA SER A 111 -2.201 -1.119 8.881 1.00 0.00 C ATOM 1023 C SER A 111 -1.079 -2.106 9.229 1.00 0.00 C ATOM 1024 O SER A 111 -0.621 -2.162 10.372 1.00 0.00 O ATOM 1025 CB SER A 111 -2.500 -0.219 10.086 1.00 0.00 C ATOM 1026 OG SER A 111 -3.156 -0.946 11.115 1.00 0.00 O ATOM 0 H SER A 111 -3.571 -2.711 8.956 1.00 0.00 H new ATOM 0 HA SER A 111 -1.865 -0.507 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.571 0.202 10.469 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.124 0.618 9.773 1.00 0.00 H new ATOM 0 HG SER A 111 -2.583 -1.684 11.410 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.647 -2.894 8.241 1.00 0.00 N ATOM 1033 CA ARG A 112 0.412 -3.882 8.458 1.00 0.00 C ATOM 1034 C ARG A 112 1.775 -3.368 7.979 1.00 0.00 C ATOM 1035 O ARG A 112 2.547 -2.834 8.774 1.00 0.00 O ATOM 1036 CB ARG A 112 0.056 -5.207 7.767 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.783 -6.138 8.632 1.00 0.00 C ATOM 1038 CD ARG A 112 -0.927 -7.516 7.998 1.00 0.00 C ATOM 1039 NE ARG A 112 -2.253 -8.101 8.237 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.689 -8.529 9.417 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.936 -8.429 10.494 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -3.886 -9.058 9.512 1.00 0.00 N ATOM 0 H ARG A 112 -1.012 -2.867 7.289 1.00 0.00 H new ATOM 0 HA ARG A 112 0.490 -4.056 9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.486 -4.993 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.976 -5.718 7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.322 -6.236 9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.770 -5.702 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.753 -7.440 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.161 -8.180 8.399 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.884 -8.185 7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.005 -8.018 10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.285 -8.762 11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.475 -9.139 8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.227 -9.389 10.415 1.00 0.00 H new ATOM 1056 N VAL A 113 2.057 -3.548 6.685 1.00 0.00 N ATOM 1057 CA VAL A 113 3.324 -3.130 6.062 1.00 0.00 C ATOM 1058 C VAL A 113 4.550 -3.524 6.894 1.00 0.00 C ATOM 1059 O VAL A 113 4.984 -2.817 7.807 1.00 0.00 O ATOM 1060 CB VAL A 113 3.359 -1.627 5.717 1.00 0.00 C ATOM 1061 CG1 VAL A 113 2.909 -0.762 6.882 1.00 0.00 C ATOM 1062 CG2 VAL A 113 4.744 -1.210 5.242 1.00 0.00 C ATOM 0 H VAL A 113 1.410 -3.991 6.033 1.00 0.00 H new ATOM 0 HA VAL A 113 3.372 -3.679 5.122 1.00 0.00 H new ATOM 0 HB VAL A 113 2.651 -1.470 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.950 0.288 6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.887 -1.023 7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.567 -0.929 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.742 -0.146 5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.473 -1.405 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.010 -1.780 4.352 1.00 0.00 H new ATOM 1072 N ASN A 114 5.103 -4.667 6.536 1.00 0.00 N ATOM 1073 CA ASN A 114 6.282 -5.211 7.195 1.00 0.00 C ATOM 1074 C ASN A 114 7.558 -4.573 6.640 1.00 0.00 C ATOM 1075 O ASN A 114 8.255 -5.153 5.804 1.00 0.00 O ATOM 1076 CB ASN A 114 6.311 -6.734 7.025 1.00 0.00 C ATOM 1077 CG ASN A 114 7.144 -7.419 8.084 1.00 0.00 C ATOM 1078 OD1 ASN A 114 6.627 -7.861 9.103 1.00 0.00 O ATOM 1079 ND2 ASN A 114 8.441 -7.509 7.843 1.00 0.00 N ATOM 0 H ASN A 114 4.748 -5.249 5.777 1.00 0.00 H new ATOM 0 HA ASN A 114 6.233 -4.978 8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.292 -7.120 7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.708 -6.979 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.055 -7.961 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.827 -7.126 6.980 1.00 0.00 H new ATOM 1086 N TYR A 115 7.844 -3.362 7.105 1.00 0.00 N ATOM 1087 CA TYR A 115 9.020 -2.597 6.660 1.00 0.00 C ATOM 1088 C TYR A 115 10.375 -3.287 6.947 1.00 0.00 C ATOM 1089 O TYR A 115 11.422 -2.683 6.712 1.00 0.00 O ATOM 1090 CB TYR A 115 9.009 -1.205 7.303 1.00 0.00 C ATOM 1091 CG TYR A 115 8.172 -0.189 6.554 1.00 0.00 C ATOM 1092 CD1 TYR A 115 8.510 0.215 5.267 1.00 0.00 C ATOM 1093 CD2 TYR A 115 7.047 0.375 7.141 1.00 0.00 C ATOM 1094 CE1 TYR A 115 7.748 1.147 4.588 1.00 0.00 C ATOM 1095 CE2 TYR A 115 6.280 1.308 6.467 1.00 0.00 C ATOM 1096 CZ TYR A 115 6.636 1.690 5.193 1.00 0.00 C ATOM 1097 OH TYR A 115 5.877 2.618 4.523 1.00 0.00 O ATOM 0 H TYR A 115 7.274 -2.878 7.799 1.00 0.00 H new ATOM 0 HA TYR A 115 8.937 -2.528 5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.633 -1.290 8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 115 10.033 -0.839 7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.382 -0.207 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.766 0.080 8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.023 1.448 3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.407 1.735 6.938 1.00 0.00 H new ATOM 0 HH TYR A 115 4.951 2.303 4.466 1.00 0.00 H new ATOM 1107 N SER A 116 10.377 -4.537 7.433 1.00 0.00 N ATOM 1108 CA SER A 116 11.636 -5.250 7.712 1.00 0.00 C ATOM 1109 C SER A 116 12.603 -5.160 6.526 1.00 0.00 C ATOM 1110 O SER A 116 13.811 -5.026 6.712 1.00 0.00 O ATOM 1111 CB SER A 116 11.371 -6.716 8.055 1.00 0.00 C ATOM 1112 OG SER A 116 10.825 -6.846 9.357 1.00 0.00 O ATOM 0 H SER A 116 9.533 -5.071 7.640 1.00 0.00 H new ATOM 0 HA SER A 116 12.098 -4.765 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.684 -7.145 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.300 -7.282 7.989 1.00 0.00 H new ATOM 0 HG SER A 116 11.423 -6.421 10.007 1.00 0.00 H new ATOM 1118 N HIS A 117 12.062 -5.201 5.306 1.00 0.00 N ATOM 1119 CA HIS A 117 12.876 -5.086 4.089 1.00 0.00 C ATOM 1120 C HIS A 117 13.677 -3.773 4.100 1.00 0.00 C ATOM 1121 O HIS A 117 14.675 -3.640 3.391 1.00 0.00 O ATOM 1122 CB HIS A 117 11.963 -5.150 2.850 1.00 0.00 C ATOM 1123 CG HIS A 117 12.666 -5.161 1.512 1.00 0.00 C ATOM 1124 ND1 HIS A 117 13.830 -4.469 1.245 1.00 0.00 N ATOM 1125 CD2 HIS A 117 12.320 -5.757 0.345 1.00 0.00 C ATOM 1126 CE1 HIS A 117 14.159 -4.633 -0.023 1.00 0.00 C ATOM 1127 NE2 HIS A 117 13.262 -5.413 -0.591 1.00 0.00 N ATOM 0 H HIS A 117 11.063 -5.313 5.132 1.00 0.00 H new ATOM 0 HA HIS A 117 13.583 -5.915 4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.347 -6.046 2.922 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.287 -4.296 2.876 1.00 0.00 H new ATOM 0 HD1 HIS A 117 14.355 -3.916 1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 117 11.459 -6.388 0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 117 15.019 -4.200 -0.512 1.00 0.00 H new ATOM 1136 N CYS A 118 13.230 -2.806 4.905 1.00 0.00 N ATOM 1137 CA CYS A 118 13.891 -1.504 5.011 1.00 0.00 C ATOM 1138 C CYS A 118 14.996 -1.499 6.082 1.00 0.00 C ATOM 1139 O CYS A 118 15.695 -0.500 6.243 1.00 0.00 O ATOM 1140 CB CYS A 118 12.853 -0.431 5.345 1.00 0.00 C ATOM 1141 SG CYS A 118 11.744 0.005 3.961 1.00 0.00 S ATOM 0 H CYS A 118 12.405 -2.903 5.498 1.00 0.00 H new ATOM 0 HA CYS A 118 14.361 -1.293 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.248 -0.777 6.184 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.372 0.469 5.676 1.00 0.00 H new ATOM 1146 N GLU A 119 15.137 -2.606 6.819 1.00 0.00 N ATOM 1147 CA GLU A 119 16.141 -2.723 7.884 1.00 0.00 C ATOM 1148 C GLU A 119 17.571 -2.664 7.339 1.00 0.00 C ATOM 1149 O GLU A 119 17.921 -3.420 6.436 1.00 0.00 O ATOM 1150 CB GLU A 119 15.947 -4.043 8.626 1.00 0.00 C ATOM 1151 CG GLU A 119 15.124 -3.918 9.908 1.00 0.00 C ATOM 1152 CD GLU A 119 14.561 -5.243 10.392 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.358 -6.106 10.820 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.324 -5.424 10.337 1.00 0.00 O ATOM 0 H GLU A 119 14.564 -3.441 6.696 1.00 0.00 H new ATOM 0 HA GLU A 119 16.002 -1.878 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.458 -4.754 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.925 -4.457 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.748 -3.488 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.302 -3.222 9.738 1.00 0.00 H new