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 66 GLN : amide:sc= 0.269 K(o=0.89,f=-5.3!) USER MOD Set 1.2: A 115 TYR OH : rot 45:sc= 0.618 USER MOD Set 2.1: A 114 ASN : amide:sc= 0.904 K(o=1.9,f=-7.5!) USER MOD Set 2.2: A 116 SER OG : rot 59:sc= 0.993 USER MOD Set 3.1: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 94 ASN : amide:sc= -0.712! C(o=-0.71!,f=-6.9!) USER MOD Set 4.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 73 GLN : amide:sc= -0.431 K(o=-0.43,f=-7.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.433 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 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= 0.738 K(o=0.74,f=-7.4!) USER MOD Single : A 92 LYS NZ :NH3+ -128:sc= 0.808 (180deg=-1.15!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 96 THR OG1 : rot -166:sc= 0.233 USER MOD Single : A 98 ASN : amide:sc= -1.25! C(o=-1.2!,f=-7!) USER MOD Single : A 100 TYR OH : rot -64:sc= 1.24 USER MOD Single : A 106 ASN : amide:sc= 1.15 K(o=1.1,f=-0.12) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 111 SER OG : rot -49:sc= 0.189 USER MOD Single : A 117 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -16.248 -2.183 -0.019 1.00 0.00 N ATOM 230 CA TYR A 59 -14.887 -2.629 -0.321 1.00 0.00 C ATOM 231 C TYR A 59 -13.867 -1.545 0.036 1.00 0.00 C ATOM 232 O TYR A 59 -14.224 -0.501 0.584 1.00 0.00 O ATOM 233 CB TYR A 59 -14.767 -2.967 -1.816 1.00 0.00 C ATOM 234 CG TYR A 59 -15.962 -3.698 -2.393 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.622 -4.683 -1.669 1.00 0.00 C ATOM 236 CD2 TYR A 59 -16.430 -3.395 -3.664 1.00 0.00 C ATOM 237 CE1 TYR A 59 -17.714 -5.345 -2.198 1.00 0.00 C ATOM 238 CE2 TYR A 59 -17.521 -4.052 -4.199 1.00 0.00 C ATOM 239 CZ TYR A 59 -18.157 -5.024 -3.462 1.00 0.00 C ATOM 240 OH TYR A 59 -19.242 -5.680 -3.991 1.00 0.00 O ATOM 0 HA TYR A 59 -14.679 -3.517 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -14.619 -2.042 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.876 -3.577 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.276 -4.935 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -15.933 -2.632 -4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.217 -6.109 -1.624 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -17.872 -3.804 -5.190 1.00 0.00 H new ATOM 0 HH TYR A 59 -19.426 -5.335 -4.890 1.00 0.00 H new ATOM 250 N CYS A 60 -12.600 -1.781 -0.301 1.00 0.00 N ATOM 251 CA CYS A 60 -11.552 -0.794 -0.035 1.00 0.00 C ATOM 252 C CYS A 60 -11.757 0.430 -0.936 1.00 0.00 C ATOM 253 O CYS A 60 -12.748 0.515 -1.661 1.00 0.00 O ATOM 254 CB CYS A 60 -10.159 -1.398 -0.261 1.00 0.00 C ATOM 255 SG CYS A 60 -9.097 -1.390 1.222 1.00 0.00 S ATOM 0 H CYS A 60 -12.276 -2.636 -0.753 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.618 -0.487 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.272 -2.425 -0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.659 -0.845 -1.056 1.00 0.00 H new ATOM 260 N ASN A 61 -10.826 1.376 -0.885 1.00 0.00 N ATOM 261 CA ASN A 61 -10.926 2.590 -1.698 1.00 0.00 C ATOM 262 C ASN A 61 -9.558 3.227 -1.931 1.00 0.00 C ATOM 263 O ASN A 61 -8.686 3.172 -1.063 1.00 0.00 O ATOM 264 CB ASN A 61 -11.855 3.594 -1.016 1.00 0.00 C ATOM 265 CG ASN A 61 -12.375 4.646 -1.975 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.435 4.486 -2.572 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.626 5.729 -2.133 1.00 0.00 N ATOM 0 H ASN A 61 -9.996 1.330 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.334 2.310 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.697 3.062 -0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.322 4.082 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.925 6.467 -2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.751 5.823 -1.618 1.00 0.00 H new ATOM 274 N THR A 62 -9.386 3.837 -3.108 1.00 0.00 N ATOM 275 CA THR A 62 -8.128 4.504 -3.468 1.00 0.00 C ATOM 276 C THR A 62 -7.582 5.325 -2.304 1.00 0.00 C ATOM 277 O THR A 62 -8.147 6.360 -1.942 1.00 0.00 O ATOM 278 CB THR A 62 -8.330 5.402 -4.690 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.842 4.657 -5.781 1.00 0.00 O ATOM 280 CG2 THR A 62 -7.057 6.069 -5.164 1.00 0.00 C ATOM 0 H THR A 62 -10.104 3.883 -3.831 1.00 0.00 H new ATOM 0 HA THR A 62 -7.400 3.730 -3.710 1.00 0.00 H new ATOM 0 HB THR A 62 -9.030 6.171 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.966 5.249 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.274 6.690 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.653 6.691 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.326 5.307 -5.436 1.00 0.00 H new ATOM 288 N THR A 63 -6.487 4.850 -1.715 1.00 0.00 N ATOM 289 CA THR A 63 -5.871 5.533 -0.581 1.00 0.00 C ATOM 290 C THR A 63 -4.358 5.343 -0.544 1.00 0.00 C ATOM 291 O THR A 63 -3.749 4.823 -1.486 1.00 0.00 O ATOM 292 CB THR A 63 -6.471 5.025 0.728 1.00 0.00 C ATOM 293 OG1 THR A 63 -6.220 5.944 1.777 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.925 3.683 1.164 1.00 0.00 C ATOM 0 H THR A 63 -6.009 3.996 -2.004 1.00 0.00 H new ATOM 0 HA THR A 63 -6.075 6.597 -0.702 1.00 0.00 H new ATOM 0 HB THR A 63 -7.538 4.917 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.612 5.606 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.396 3.385 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.138 2.937 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.847 3.758 1.308 1.00 0.00 H new ATOM 302 N LEU A 64 -3.770 5.756 0.577 1.00 0.00 N ATOM 303 CA LEU A 64 -2.339 5.638 0.806 1.00 0.00 C ATOM 304 C LEU A 64 -2.058 5.318 2.272 1.00 0.00 C ATOM 305 O LEU A 64 -2.630 5.928 3.176 1.00 0.00 O ATOM 306 CB LEU A 64 -1.628 6.925 0.396 1.00 0.00 C ATOM 307 CG LEU A 64 -0.102 6.857 0.379 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.419 6.968 -1.044 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.488 7.957 1.247 1.00 0.00 C ATOM 0 H LEU A 64 -4.278 6.183 1.352 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.957 4.820 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.973 7.209 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.931 7.720 1.077 1.00 0.00 H new ATOM 0 HG LEU A 64 0.205 5.893 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.508 6.918 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.021 6.148 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.102 7.918 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.576 7.894 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.172 8.929 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.139 7.837 2.273 1.00 0.00 H new ATOM 321 N ASP A 65 -1.175 4.357 2.488 1.00 0.00 N ATOM 322 CA ASP A 65 -0.796 3.934 3.840 1.00 0.00 C ATOM 323 C ASP A 65 0.236 4.913 4.430 1.00 0.00 C ATOM 324 O ASP A 65 0.575 5.908 3.792 1.00 0.00 O ATOM 325 CB ASP A 65 -0.250 2.493 3.773 1.00 0.00 C ATOM 326 CG ASP A 65 0.099 1.892 5.127 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.607 2.177 6.115 1.00 0.00 O ATOM 328 OD2 ASP A 65 1.086 1.131 5.195 1.00 0.00 O ATOM 0 H ASP A 65 -0.700 3.847 1.743 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.664 3.945 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.991 1.858 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.640 2.483 3.144 1.00 0.00 H new ATOM 333 N GLN A 66 0.721 4.642 5.646 1.00 0.00 N ATOM 334 CA GLN A 66 1.710 5.507 6.301 1.00 0.00 C ATOM 335 C GLN A 66 2.808 5.940 5.318 1.00 0.00 C ATOM 336 O GLN A 66 3.203 7.109 5.294 1.00 0.00 O ATOM 337 CB GLN A 66 2.318 4.779 7.503 1.00 0.00 C ATOM 338 CG GLN A 66 3.474 5.521 8.163 1.00 0.00 C ATOM 339 CD GLN A 66 4.638 4.608 8.497 1.00 0.00 C ATOM 340 OE1 GLN A 66 4.961 3.692 7.738 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.271 4.846 9.635 1.00 0.00 N ATOM 0 H GLN A 66 0.445 3.830 6.198 1.00 0.00 H new ATOM 0 HA GLN A 66 1.205 6.409 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.537 4.612 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.667 3.798 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.818 6.314 7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.120 6.000 9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.971 5.615 10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.059 4.260 9.913 1.00 0.00 H new ATOM 350 N ILE A 67 3.283 4.997 4.502 1.00 0.00 N ATOM 351 CA ILE A 67 4.313 5.283 3.506 1.00 0.00 C ATOM 352 C ILE A 67 3.673 5.574 2.137 1.00 0.00 C ATOM 353 O ILE A 67 2.486 5.873 2.056 1.00 0.00 O ATOM 354 CB ILE A 67 5.326 4.119 3.390 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.616 2.793 3.103 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.162 4.015 4.657 1.00 0.00 C ATOM 357 CD1 ILE A 67 4.903 2.246 1.720 1.00 0.00 C ATOM 0 H ILE A 67 2.969 4.027 4.513 1.00 0.00 H new ATOM 0 HA ILE A 67 4.857 6.168 3.836 1.00 0.00 H new ATOM 0 HB ILE A 67 5.989 4.331 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.921 2.057 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.541 2.933 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.870 3.192 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.708 4.946 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.509 3.833 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.369 1.306 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.573 2.964 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.974 2.074 1.612 1.00 0.00 H new ATOM 369 N GLY A 68 4.455 5.493 1.058 1.00 0.00 N ATOM 370 CA GLY A 68 3.915 5.760 -0.259 1.00 0.00 C ATOM 371 C GLY A 68 3.063 4.624 -0.796 1.00 0.00 C ATOM 372 O GLY A 68 2.508 3.829 -0.038 1.00 0.00 O ATOM 0 H GLY A 68 5.445 5.249 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.315 6.669 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.736 5.948 -0.950 1.00 0.00 H new ATOM 376 N THR A 69 2.973 4.561 -2.116 1.00 0.00 N ATOM 377 CA THR A 69 2.195 3.541 -2.817 1.00 0.00 C ATOM 378 C THR A 69 0.693 3.783 -2.639 1.00 0.00 C ATOM 379 O THR A 69 0.184 3.810 -1.519 1.00 0.00 O ATOM 380 CB THR A 69 2.583 2.148 -2.318 1.00 0.00 C ATOM 381 OG1 THR A 69 3.924 1.845 -2.661 1.00 0.00 O ATOM 382 CG2 THR A 69 1.717 1.040 -2.874 1.00 0.00 C ATOM 0 H THR A 69 3.440 5.220 -2.739 1.00 0.00 H new ATOM 0 HA THR A 69 2.420 3.604 -3.882 1.00 0.00 H new ATOM 0 HB THR A 69 2.444 2.189 -1.238 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.152 0.951 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.052 0.082 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.679 1.210 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.795 1.028 -3.961 1.00 0.00 H new ATOM 390 N CYS A 70 -0.017 3.964 -3.754 1.00 0.00 N ATOM 391 CA CYS A 70 -1.463 4.202 -3.714 1.00 0.00 C ATOM 392 C CYS A 70 -2.219 2.876 -3.770 1.00 0.00 C ATOM 393 O CYS A 70 -1.767 1.922 -4.407 1.00 0.00 O ATOM 394 CB CYS A 70 -1.898 5.117 -4.864 1.00 0.00 C ATOM 395 SG CYS A 70 -1.466 6.871 -4.618 1.00 0.00 S ATOM 0 H CYS A 70 0.382 3.951 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.702 4.702 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.438 4.766 -5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.977 5.034 -4.993 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.871 7.565 -5.640 1.00 0.00 H new ATOM 400 N TRP A 71 -3.354 2.808 -3.074 1.00 0.00 N ATOM 401 CA TRP A 71 -4.143 1.574 -3.021 1.00 0.00 C ATOM 402 C TRP A 71 -5.607 1.801 -3.408 1.00 0.00 C ATOM 403 O TRP A 71 -6.394 2.317 -2.614 1.00 0.00 O ATOM 404 CB TRP A 71 -4.032 0.979 -1.612 1.00 0.00 C ATOM 405 CG TRP A 71 -2.613 0.953 -1.127 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.944 1.961 -0.492 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.684 -0.124 -1.271 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.640 1.582 -0.256 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.464 0.299 -0.713 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.764 -1.407 -1.820 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.663 -0.515 -0.689 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.644 -2.216 -1.792 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.556 -1.767 -1.230 1.00 0.00 C ATOM 0 H TRP A 71 -3.746 3.585 -2.543 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.741 0.874 -3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.641 1.563 -0.922 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.434 -0.034 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.373 2.913 -0.216 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.076 2.159 0.185 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.686 -1.760 -2.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.591 -0.171 -0.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.696 -3.210 -2.210 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.415 -2.422 -1.223 1.00 0.00 H new ATOM 424 N PRO A 72 -5.986 1.406 -4.648 1.00 0.00 N ATOM 425 CA PRO A 72 -7.359 1.555 -5.158 1.00 0.00 C ATOM 426 C PRO A 72 -8.317 0.484 -4.618 1.00 0.00 C ATOM 427 O PRO A 72 -7.963 -0.288 -3.721 1.00 0.00 O ATOM 428 CB PRO A 72 -7.174 1.401 -6.668 1.00 0.00 C ATOM 429 CG PRO A 72 -6.014 0.478 -6.807 1.00 0.00 C ATOM 430 CD PRO A 72 -5.096 0.782 -5.651 1.00 0.00 C ATOM 0 HA PRO A 72 -7.810 2.500 -4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.067 0.990 -7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.977 2.361 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.339 -0.562 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.506 0.632 -7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.628 -0.123 -5.263 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.291 1.455 -5.946 1.00 0.00 H new ATOM 438 N GLN A 73 -9.531 0.449 -5.170 1.00 0.00 N ATOM 439 CA GLN A 73 -10.551 -0.517 -4.754 1.00 0.00 C ATOM 440 C GLN A 73 -10.168 -1.953 -5.128 1.00 0.00 C ATOM 441 O GLN A 73 -10.644 -2.493 -6.128 1.00 0.00 O ATOM 442 CB GLN A 73 -11.904 -0.163 -5.382 1.00 0.00 C ATOM 443 CG GLN A 73 -12.670 0.905 -4.619 1.00 0.00 C ATOM 444 CD GLN A 73 -12.457 2.295 -5.183 1.00 0.00 C ATOM 445 OE1 GLN A 73 -11.554 3.017 -4.761 1.00 0.00 O ATOM 446 NE2 GLN A 73 -13.282 2.678 -6.147 1.00 0.00 N ATOM 0 H GLN A 73 -9.834 1.082 -5.910 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.625 -0.463 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.742 0.179 -6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.515 -1.064 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.734 0.668 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.361 0.891 -3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.018 2.049 -6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.181 3.602 -6.568 1.00 0.00 H new ATOM 455 N SER A 74 -9.313 -2.569 -4.311 1.00 0.00 N ATOM 456 CA SER A 74 -8.881 -3.949 -4.548 1.00 0.00 C ATOM 457 C SER A 74 -9.978 -4.935 -4.140 1.00 0.00 C ATOM 458 O SER A 74 -10.542 -5.634 -4.986 1.00 0.00 O ATOM 459 CB SER A 74 -7.590 -4.255 -3.777 1.00 0.00 C ATOM 460 OG SER A 74 -6.801 -5.216 -4.463 1.00 0.00 O ATOM 0 H SER A 74 -8.906 -2.137 -3.481 1.00 0.00 H new ATOM 0 HA SER A 74 -8.686 -4.061 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.017 -3.338 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.836 -4.625 -2.782 1.00 0.00 H new ATOM 0 HG SER A 74 -5.983 -5.393 -3.952 1.00 0.00 H new ATOM 466 N ALA A 75 -10.273 -4.976 -2.836 1.00 0.00 N ATOM 467 CA ALA A 75 -11.300 -5.864 -2.285 1.00 0.00 C ATOM 468 C ALA A 75 -11.274 -5.847 -0.753 1.00 0.00 C ATOM 469 O ALA A 75 -10.236 -5.564 -0.149 1.00 0.00 O ATOM 470 CB ALA A 75 -11.104 -7.288 -2.794 1.00 0.00 C ATOM 0 H ALA A 75 -9.808 -4.397 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.272 -5.500 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.876 -7.934 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.174 -7.298 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.122 -7.651 -2.490 1.00 0.00 H new ATOM 476 N PRO A 76 -12.410 -6.161 -0.101 1.00 0.00 N ATOM 477 CA PRO A 76 -12.490 -6.193 1.363 1.00 0.00 C ATOM 478 C PRO A 76 -11.832 -7.452 1.935 1.00 0.00 C ATOM 479 O PRO A 76 -12.206 -8.574 1.583 1.00 0.00 O ATOM 480 CB PRO A 76 -13.995 -6.192 1.628 1.00 0.00 C ATOM 481 CG PRO A 76 -14.589 -6.858 0.435 1.00 0.00 C ATOM 482 CD PRO A 76 -13.695 -6.522 -0.733 1.00 0.00 C ATOM 0 HA PRO A 76 -11.968 -5.360 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.236 -6.731 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.376 -5.177 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.647 -7.937 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.605 -6.505 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.584 -7.370 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.098 -5.697 -1.320 1.00 0.00 H new ATOM 490 N GLY A 77 -10.839 -7.259 2.801 1.00 0.00 N ATOM 491 CA GLY A 77 -10.131 -8.387 3.388 1.00 0.00 C ATOM 492 C GLY A 77 -9.100 -8.952 2.435 1.00 0.00 C ATOM 493 O GLY A 77 -9.180 -10.116 2.045 1.00 0.00 O ATOM 0 H GLY A 77 -10.512 -6.343 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.642 -8.071 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.845 -9.166 3.657 1.00 0.00 H new ATOM 497 N ALA A 78 -8.133 -8.120 2.042 1.00 0.00 N ATOM 498 CA ALA A 78 -7.096 -8.540 1.111 1.00 0.00 C ATOM 499 C ALA A 78 -5.748 -7.896 1.430 1.00 0.00 C ATOM 500 O ALA A 78 -5.655 -6.688 1.672 1.00 0.00 O ATOM 501 CB ALA A 78 -7.514 -8.208 -0.316 1.00 0.00 C ATOM 0 H ALA A 78 -8.051 -7.153 2.357 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.975 -9.618 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.733 -8.525 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.442 -8.728 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.666 -7.133 -0.410 1.00 0.00 H new ATOM 507 N LEU A 79 -4.708 -8.718 1.406 1.00 0.00 N ATOM 508 CA LEU A 79 -3.349 -8.257 1.666 1.00 0.00 C ATOM 509 C LEU A 79 -2.537 -8.215 0.370 1.00 0.00 C ATOM 510 O LEU A 79 -2.434 -9.211 -0.347 1.00 0.00 O ATOM 511 CB LEU A 79 -2.663 -9.159 2.697 1.00 0.00 C ATOM 512 CG LEU A 79 -1.215 -8.784 3.033 1.00 0.00 C ATOM 513 CD1 LEU A 79 -0.906 -9.097 4.487 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.254 -9.519 2.113 1.00 0.00 C ATOM 0 H LEU A 79 -4.780 -9.716 1.207 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.403 -7.247 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.248 -9.143 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.679 -10.184 2.327 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.090 -7.712 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.126 -8.824 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.577 -8.529 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.046 -10.163 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.771 -9.244 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.381 -10.594 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.461 -9.247 1.078 1.00 0.00 H new ATOM 526 N VAL A 80 -1.962 -7.053 0.080 1.00 0.00 N ATOM 527 CA VAL A 80 -1.155 -6.864 -1.125 1.00 0.00 C ATOM 528 C VAL A 80 0.332 -6.783 -0.782 1.00 0.00 C ATOM 529 O VAL A 80 0.741 -5.994 0.075 1.00 0.00 O ATOM 530 CB VAL A 80 -1.570 -5.585 -1.884 1.00 0.00 C ATOM 531 CG1 VAL A 80 -0.863 -5.504 -3.230 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.080 -5.535 -2.071 1.00 0.00 C ATOM 0 H VAL A 80 -2.039 -6.222 0.666 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.330 -7.729 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.270 -4.724 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.170 -4.595 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.216 -5.486 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.128 -6.372 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.350 -4.626 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.405 -6.404 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.568 -5.539 -1.096 1.00 0.00 H new ATOM 542 N GLU A 81 1.138 -7.603 -1.453 1.00 0.00 N ATOM 543 CA GLU A 81 2.579 -7.622 -1.215 1.00 0.00 C ATOM 544 C GLU A 81 3.340 -6.965 -2.366 1.00 0.00 C ATOM 545 O GLU A 81 3.121 -7.292 -3.536 1.00 0.00 O ATOM 546 CB GLU A 81 3.063 -9.057 -1.019 1.00 0.00 C ATOM 547 CG GLU A 81 4.429 -9.140 -0.356 1.00 0.00 C ATOM 548 CD GLU A 81 5.431 -9.952 -1.150 1.00 0.00 C ATOM 549 OE1 GLU A 81 5.453 -9.817 -2.392 1.00 0.00 O ATOM 550 OE2 GLU A 81 6.205 -10.710 -0.530 1.00 0.00 O ATOM 0 H GLU A 81 0.819 -8.261 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 81 2.777 -7.050 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.338 -9.599 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.105 -9.556 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.819 -8.132 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.318 -9.580 0.635 1.00 0.00 H new ATOM 557 N ARG A 82 4.225 -6.027 -2.032 1.00 0.00 N ATOM 558 CA ARG A 82 5.004 -5.317 -3.049 1.00 0.00 C ATOM 559 C ARG A 82 6.433 -5.041 -2.581 1.00 0.00 C ATOM 560 O ARG A 82 6.678 -4.876 -1.385 1.00 0.00 O ATOM 561 CB ARG A 82 4.310 -4.000 -3.416 1.00 0.00 C ATOM 562 CG ARG A 82 2.794 -4.107 -3.477 1.00 0.00 C ATOM 563 CD ARG A 82 2.160 -2.816 -3.963 1.00 0.00 C ATOM 564 NE ARG A 82 2.220 -2.697 -5.420 1.00 0.00 N ATOM 565 CZ ARG A 82 1.433 -1.909 -6.140 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.507 -1.169 -5.557 1.00 0.00 N ATOM 567 NH2 ARG A 82 1.566 -1.871 -7.449 1.00 0.00 N ATOM 0 H ARG A 82 4.421 -5.741 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 82 5.062 -5.958 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.583 -3.239 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.681 -3.661 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.513 -4.924 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.406 -4.353 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.121 -2.776 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.669 -1.967 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 82 2.914 -3.258 -5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.392 -1.200 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.093 -0.566 -6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.273 -2.447 -7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.962 -1.266 -8.006 1.00 0.00 H new ATOM 581 N PRO A 83 7.400 -4.973 -3.524 1.00 0.00 N ATOM 582 CA PRO A 83 8.808 -4.703 -3.216 1.00 0.00 C ATOM 583 C PRO A 83 8.967 -3.653 -2.118 1.00 0.00 C ATOM 584 O PRO A 83 8.378 -2.572 -2.190 1.00 0.00 O ATOM 585 CB PRO A 83 9.381 -4.186 -4.548 1.00 0.00 C ATOM 586 CG PRO A 83 8.250 -4.220 -5.534 1.00 0.00 C ATOM 587 CD PRO A 83 7.206 -5.138 -4.965 1.00 0.00 C ATOM 0 HA PRO A 83 9.319 -5.589 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.770 -3.174 -4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.209 -4.811 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.843 -3.221 -5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.593 -4.579 -6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.201 -4.853 -5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.356 -6.170 -5.280 1.00 0.00 H new ATOM 595 N CYS A 84 9.760 -3.977 -1.094 1.00 0.00 N ATOM 596 CA CYS A 84 9.979 -3.050 0.019 1.00 0.00 C ATOM 597 C CYS A 84 10.557 -1.725 -0.473 1.00 0.00 C ATOM 598 O CYS A 84 11.484 -1.711 -1.284 1.00 0.00 O ATOM 599 CB CYS A 84 10.907 -3.662 1.074 1.00 0.00 C ATOM 600 SG CYS A 84 10.236 -3.600 2.769 1.00 0.00 S ATOM 0 H CYS A 84 10.256 -4.864 -1.012 1.00 0.00 H new ATOM 0 HA CYS A 84 9.008 -2.859 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.107 -4.700 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.862 -3.138 1.052 1.00 0.00 H new ATOM 605 N PRO A 85 10.018 -0.589 0.020 1.00 0.00 N ATOM 606 CA PRO A 85 10.479 0.752 -0.363 1.00 0.00 C ATOM 607 C PRO A 85 12.003 0.871 -0.351 1.00 0.00 C ATOM 608 O PRO A 85 12.670 0.293 0.511 1.00 0.00 O ATOM 609 CB PRO A 85 9.851 1.676 0.696 1.00 0.00 C ATOM 610 CG PRO A 85 9.223 0.770 1.709 1.00 0.00 C ATOM 611 CD PRO A 85 8.925 -0.515 0.994 1.00 0.00 C ATOM 0 HA PRO A 85 10.186 1.002 -1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.606 2.313 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.108 2.336 0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 85 9.896 0.601 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.312 1.211 2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 85 8.926 -1.368 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.949 -0.494 0.510 1.00 0.00 H new ATOM 619 N GLU A 86 12.544 1.610 -1.320 1.00 0.00 N ATOM 620 CA GLU A 86 13.990 1.790 -1.437 1.00 0.00 C ATOM 621 C GLU A 86 14.518 2.862 -0.468 1.00 0.00 C ATOM 622 O GLU A 86 13.985 3.029 0.626 1.00 0.00 O ATOM 623 CB GLU A 86 14.361 2.123 -2.891 1.00 0.00 C ATOM 624 CG GLU A 86 15.666 1.467 -3.339 1.00 0.00 C ATOM 625 CD GLU A 86 16.705 2.450 -3.839 1.00 0.00 C ATOM 626 OE1 GLU A 86 16.726 3.599 -3.357 1.00 0.00 O ATOM 627 OE2 GLU A 86 17.533 2.051 -4.689 1.00 0.00 O ATOM 0 H GLU A 86 12.001 2.094 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 86 14.470 0.852 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.554 1.801 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.448 3.204 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.084 0.904 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.448 0.749 -4.130 1.00 0.00 H new ATOM 634 N TYR A 87 15.585 3.559 -0.871 1.00 0.00 N ATOM 635 CA TYR A 87 16.224 4.587 -0.047 1.00 0.00 C ATOM 636 C TYR A 87 15.236 5.619 0.513 1.00 0.00 C ATOM 637 O TYR A 87 14.927 6.619 -0.139 1.00 0.00 O ATOM 638 CB TYR A 87 17.307 5.299 -0.865 1.00 0.00 C ATOM 639 CG TYR A 87 18.183 6.230 -0.055 1.00 0.00 C ATOM 640 CD1 TYR A 87 19.199 5.733 0.747 1.00 0.00 C ATOM 641 CD2 TYR A 87 17.997 7.605 -0.102 1.00 0.00 C ATOM 642 CE1 TYR A 87 20.005 6.579 1.484 1.00 0.00 C ATOM 643 CE2 TYR A 87 18.800 8.458 0.631 1.00 0.00 C ATOM 644 CZ TYR A 87 19.803 7.940 1.422 1.00 0.00 C ATOM 645 OH TYR A 87 20.606 8.786 2.155 1.00 0.00 O ATOM 0 H TYR A 87 16.030 3.425 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 87 16.662 4.077 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 87 17.937 4.549 -1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.829 5.869 -1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 87 19.363 4.667 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.212 8.014 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.790 6.175 2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 87 18.642 9.525 0.584 1.00 0.00 H new ATOM 0 HH TYR A 87 20.332 9.714 1.998 1.00 0.00 H new ATOM 655 N PHE A 88 14.781 5.385 1.741 1.00 0.00 N ATOM 656 CA PHE A 88 13.870 6.312 2.415 1.00 0.00 C ATOM 657 C PHE A 88 14.478 6.812 3.739 1.00 0.00 C ATOM 658 O PHE A 88 13.848 7.578 4.470 1.00 0.00 O ATOM 659 CB PHE A 88 12.491 5.668 2.644 1.00 0.00 C ATOM 660 CG PHE A 88 12.497 4.435 3.507 1.00 0.00 C ATOM 661 CD1 PHE A 88 12.618 4.536 4.884 1.00 0.00 C ATOM 662 CD2 PHE A 88 12.368 3.177 2.940 1.00 0.00 C ATOM 663 CE1 PHE A 88 12.613 3.403 5.678 1.00 0.00 C ATOM 664 CE2 PHE A 88 12.362 2.043 3.729 1.00 0.00 C ATOM 665 CZ PHE A 88 12.484 2.157 5.099 1.00 0.00 C ATOM 0 H PHE A 88 15.027 4.562 2.291 1.00 0.00 H new ATOM 0 HA PHE A 88 13.726 7.175 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.833 6.408 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.061 5.412 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.717 5.509 5.342 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.271 3.082 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.710 3.494 6.750 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.262 1.068 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.479 1.272 5.718 1.00 0.00 H new ATOM 675 N ASN A 89 15.714 6.379 4.029 1.00 0.00 N ATOM 676 CA ASN A 89 16.427 6.776 5.239 1.00 0.00 C ATOM 677 C ASN A 89 17.918 6.959 4.939 1.00 0.00 C ATOM 678 O ASN A 89 18.369 6.704 3.823 1.00 0.00 O ATOM 679 CB ASN A 89 16.239 5.715 6.330 1.00 0.00 C ATOM 680 CG ASN A 89 16.260 6.307 7.725 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.036 7.217 8.012 1.00 0.00 O ATOM 682 ND2 ASN A 89 15.415 5.793 8.604 1.00 0.00 N ATOM 0 H ASN A 89 16.241 5.745 3.429 1.00 0.00 H new ATOM 0 HA ASN A 89 16.020 7.724 5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.292 5.200 6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.027 4.967 6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.392 6.151 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 89 14.787 5.039 8.327 1.00 0.00 H new ATOM 689 N GLY A 90 18.687 7.386 5.939 1.00 0.00 N ATOM 690 CA GLY A 90 20.121 7.577 5.747 1.00 0.00 C ATOM 691 C GLY A 90 20.892 6.268 5.751 1.00 0.00 C ATOM 692 O GLY A 90 21.769 6.064 6.590 1.00 0.00 O ATOM 0 H GLY A 90 18.347 7.603 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.292 8.092 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.506 8.223 6.536 1.00 0.00 H new ATOM 696 N ILE A 91 20.557 5.376 4.818 1.00 0.00 N ATOM 697 CA ILE A 91 21.220 4.071 4.728 1.00 0.00 C ATOM 698 C ILE A 91 20.892 3.368 3.402 1.00 0.00 C ATOM 699 O ILE A 91 19.965 2.563 3.318 1.00 0.00 O ATOM 700 CB ILE A 91 20.821 3.170 5.924 1.00 0.00 C ATOM 701 CG1 ILE A 91 21.401 1.765 5.771 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.305 3.104 6.066 1.00 0.00 C ATOM 703 CD1 ILE A 91 22.837 1.645 6.231 1.00 0.00 C ATOM 0 H ILE A 91 19.834 5.531 4.116 1.00 0.00 H new ATOM 0 HA ILE A 91 22.295 4.245 4.763 1.00 0.00 H new ATOM 0 HB ILE A 91 21.236 3.613 6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.788 1.065 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.338 1.468 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.046 2.466 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.911 4.106 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.872 2.692 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 91 23.179 0.620 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.464 2.319 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 91 22.904 1.910 7.286 1.00 0.00 H new ATOM 715 N LYS A 92 21.657 3.687 2.360 1.00 0.00 N ATOM 716 CA LYS A 92 21.436 3.095 1.039 1.00 0.00 C ATOM 717 C LYS A 92 21.936 1.646 0.960 1.00 0.00 C ATOM 718 O LYS A 92 23.060 1.388 0.524 1.00 0.00 O ATOM 719 CB LYS A 92 22.110 3.949 -0.042 1.00 0.00 C ATOM 720 CG LYS A 92 21.275 4.105 -1.304 1.00 0.00 C ATOM 721 CD LYS A 92 21.140 2.789 -2.049 1.00 0.00 C ATOM 722 CE LYS A 92 19.686 2.468 -2.351 1.00 0.00 C ATOM 723 NZ LYS A 92 19.559 1.385 -3.366 1.00 0.00 N ATOM 0 H LYS A 92 22.432 4.349 2.402 1.00 0.00 H new ATOM 0 HA LYS A 92 20.360 3.075 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 92 22.323 4.937 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.068 3.499 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.285 4.479 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 92 21.735 4.848 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 92 21.704 2.837 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.575 1.986 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.182 2.167 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.183 3.365 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.929 1.699 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.497 1.165 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.163 0.534 -2.918 1.00 0.00 H new ATOM 737 N TYR A 93 21.081 0.707 1.373 1.00 0.00 N ATOM 738 CA TYR A 93 21.418 -0.721 1.338 1.00 0.00 C ATOM 739 C TYR A 93 20.204 -1.587 1.715 1.00 0.00 C ATOM 740 O TYR A 93 19.162 -1.066 2.110 1.00 0.00 O ATOM 741 CB TYR A 93 22.615 -1.011 2.266 1.00 0.00 C ATOM 742 CG TYR A 93 22.245 -1.491 3.659 1.00 0.00 C ATOM 743 CD1 TYR A 93 21.181 -0.932 4.354 1.00 0.00 C ATOM 744 CD2 TYR A 93 22.968 -2.504 4.275 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.849 -1.367 5.621 1.00 0.00 C ATOM 746 CE2 TYR A 93 22.640 -2.944 5.544 1.00 0.00 C ATOM 747 CZ TYR A 93 21.580 -2.371 6.210 1.00 0.00 C ATOM 748 OH TYR A 93 21.246 -2.807 7.472 1.00 0.00 O ATOM 0 H TYR A 93 20.149 0.909 1.736 1.00 0.00 H new ATOM 0 HA TYR A 93 21.702 -0.981 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 93 23.247 -1.764 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 93 23.213 -0.104 2.357 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.603 -0.143 3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 93 23.800 -2.955 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.018 -0.920 6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.212 -3.733 6.010 1.00 0.00 H new ATOM 0 HH TYR A 93 21.859 -3.521 7.744 1.00 0.00 H new ATOM 758 N ASN A 94 20.355 -2.910 1.591 1.00 0.00 N ATOM 759 CA ASN A 94 19.283 -3.859 1.925 1.00 0.00 C ATOM 760 C ASN A 94 18.009 -3.608 1.099 1.00 0.00 C ATOM 761 O ASN A 94 16.932 -3.386 1.651 1.00 0.00 O ATOM 762 CB ASN A 94 18.970 -3.785 3.428 1.00 0.00 C ATOM 763 CG ASN A 94 19.281 -5.079 4.161 1.00 0.00 C ATOM 764 OD1 ASN A 94 19.120 -6.173 3.619 1.00 0.00 O ATOM 765 ND2 ASN A 94 19.724 -4.970 5.402 1.00 0.00 N ATOM 0 H ASN A 94 21.213 -3.351 1.260 1.00 0.00 H new ATOM 0 HA ASN A 94 19.636 -4.860 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.545 -2.973 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.916 -3.541 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.944 -5.808 5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.846 -4.048 5.821 1.00 0.00 H new ATOM 772 N THR A 95 18.132 -3.665 -0.226 1.00 0.00 N ATOM 773 CA THR A 95 16.984 -3.457 -1.117 1.00 0.00 C ATOM 774 C THR A 95 16.289 -4.787 -1.432 1.00 0.00 C ATOM 775 O THR A 95 16.090 -5.138 -2.597 1.00 0.00 O ATOM 776 CB THR A 95 17.422 -2.763 -2.416 1.00 0.00 C ATOM 777 OG1 THR A 95 18.797 -2.982 -2.679 1.00 0.00 O ATOM 778 CG2 THR A 95 17.202 -1.269 -2.395 1.00 0.00 C ATOM 0 H THR A 95 19.011 -3.853 -0.708 1.00 0.00 H new ATOM 0 HA THR A 95 16.273 -2.811 -0.603 1.00 0.00 H new ATOM 0 HB THR A 95 16.799 -3.205 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 95 19.047 -2.530 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 95 17.532 -0.839 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.142 -1.059 -2.251 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.773 -0.829 -1.578 1.00 0.00 H new ATOM 786 N THR A 96 15.933 -5.523 -0.382 1.00 0.00 N ATOM 787 CA THR A 96 15.268 -6.824 -0.531 1.00 0.00 C ATOM 788 C THR A 96 13.946 -6.878 0.242 1.00 0.00 C ATOM 789 O THR A 96 13.619 -5.961 0.998 1.00 0.00 O ATOM 790 CB THR A 96 16.188 -7.951 -0.040 1.00 0.00 C ATOM 791 OG1 THR A 96 16.907 -7.554 1.124 1.00 0.00 O ATOM 792 CG2 THR A 96 17.198 -8.399 -1.076 1.00 0.00 C ATOM 0 H THR A 96 16.093 -5.243 0.586 1.00 0.00 H new ATOM 0 HA THR A 96 15.051 -6.958 -1.591 1.00 0.00 H new ATOM 0 HB THR A 96 15.522 -8.786 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.637 -8.186 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.815 -9.197 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.675 -8.766 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.832 -7.557 -1.354 1.00 0.00 H new ATOM 800 N ARG A 97 13.207 -7.981 0.055 1.00 0.00 N ATOM 801 CA ARG A 97 11.923 -8.207 0.736 1.00 0.00 C ATOM 802 C ARG A 97 10.809 -7.305 0.193 1.00 0.00 C ATOM 803 O ARG A 97 11.062 -6.318 -0.504 1.00 0.00 O ATOM 804 CB ARG A 97 12.072 -8.013 2.250 1.00 0.00 C ATOM 805 CG ARG A 97 13.081 -8.956 2.893 1.00 0.00 C ATOM 806 CD ARG A 97 14.483 -8.363 2.896 1.00 0.00 C ATOM 807 NE ARG A 97 15.011 -8.207 4.250 1.00 0.00 N ATOM 808 CZ ARG A 97 16.234 -7.786 4.531 1.00 0.00 C ATOM 809 NH1 ARG A 97 17.075 -7.486 3.563 1.00 0.00 N ATOM 810 NH2 ARG A 97 16.608 -7.670 5.788 1.00 0.00 N ATOM 0 H ARG A 97 13.481 -8.739 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 97 11.634 -9.238 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.373 -6.984 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.101 -8.157 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.775 -9.173 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.088 -9.904 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.149 -9.005 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.467 -7.393 2.400 1.00 0.00 H new ATOM 0 HE ARG A 97 14.396 -8.438 5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.785 -7.577 2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.016 -7.162 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.957 -7.904 6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.549 -7.346 6.012 1.00 0.00 H new ATOM 824 N ASN A 98 9.566 -7.659 0.522 1.00 0.00 N ATOM 825 CA ASN A 98 8.402 -6.901 0.072 1.00 0.00 C ATOM 826 C ASN A 98 7.520 -6.460 1.245 1.00 0.00 C ATOM 827 O ASN A 98 7.559 -7.044 2.330 1.00 0.00 O ATOM 828 CB ASN A 98 7.586 -7.741 -0.916 1.00 0.00 C ATOM 829 CG ASN A 98 8.314 -7.984 -2.229 1.00 0.00 C ATOM 830 OD1 ASN A 98 9.468 -7.603 -2.393 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.647 -8.621 -3.173 1.00 0.00 N ATOM 0 H ASN A 98 9.341 -8.469 1.100 1.00 0.00 H new ATOM 0 HA ASN A 98 8.762 -5.999 -0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.345 -8.700 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.640 -7.238 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.091 -8.810 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.688 -8.924 -3.004 1.00 0.00 H new ATOM 838 N ALA A 99 6.712 -5.431 1.004 1.00 0.00 N ATOM 839 CA ALA A 99 5.800 -4.895 2.013 1.00 0.00 C ATOM 840 C ALA A 99 4.399 -5.490 1.852 1.00 0.00 C ATOM 841 O ALA A 99 3.842 -5.494 0.752 1.00 0.00 O ATOM 842 CB ALA A 99 5.748 -3.378 1.915 1.00 0.00 C ATOM 0 H ALA A 99 6.670 -4.946 0.108 1.00 0.00 H new ATOM 0 HA ALA A 99 6.173 -5.172 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.066 -2.988 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.745 -2.968 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.396 -3.089 0.925 1.00 0.00 H new ATOM 848 N TYR A 100 3.841 -5.998 2.950 1.00 0.00 N ATOM 849 CA TYR A 100 2.511 -6.610 2.933 1.00 0.00 C ATOM 850 C TYR A 100 1.455 -5.648 3.472 1.00 0.00 C ATOM 851 O TYR A 100 1.356 -5.436 4.680 1.00 0.00 O ATOM 852 CB TYR A 100 2.509 -7.902 3.762 1.00 0.00 C ATOM 853 CG TYR A 100 3.448 -8.968 3.238 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.817 -8.738 3.142 1.00 0.00 C ATOM 855 CD2 TYR A 100 2.962 -10.201 2.827 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.669 -9.709 2.653 1.00 0.00 C ATOM 857 CE2 TYR A 100 3.809 -11.174 2.331 1.00 0.00 C ATOM 858 CZ TYR A 100 5.159 -10.922 2.247 1.00 0.00 C ATOM 859 OH TYR A 100 6.000 -11.877 1.734 1.00 0.00 O ATOM 0 H TYR A 100 4.290 -5.998 3.866 1.00 0.00 H new ATOM 0 HA TYR A 100 2.264 -6.846 1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.783 -7.663 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.496 -8.304 3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.219 -7.786 3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.903 -10.404 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.730 -9.518 2.589 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.413 -12.127 2.011 1.00 0.00 H new ATOM 0 HH TYR A 100 6.402 -11.547 0.903 1.00 0.00 H new ATOM 869 N ARG A 101 0.660 -5.076 2.576 1.00 0.00 N ATOM 870 CA ARG A 101 -0.396 -4.147 2.974 1.00 0.00 C ATOM 871 C ARG A 101 -1.746 -4.867 2.984 1.00 0.00 C ATOM 872 O ARG A 101 -2.151 -5.450 1.977 1.00 0.00 O ATOM 873 CB ARG A 101 -0.408 -2.945 2.023 1.00 0.00 C ATOM 874 CG ARG A 101 0.915 -2.198 2.002 1.00 0.00 C ATOM 875 CD ARG A 101 0.738 -0.729 2.357 1.00 0.00 C ATOM 876 NE ARG A 101 1.788 -0.230 3.253 1.00 0.00 N ATOM 877 CZ ARG A 101 3.095 -0.326 3.042 1.00 0.00 C ATOM 878 NH1 ARG A 101 3.572 -0.909 1.957 1.00 0.00 N ATOM 879 NH2 ARG A 101 3.930 0.184 3.922 1.00 0.00 N ATOM 0 H ARG A 101 0.724 -5.237 1.571 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.205 -3.781 3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.643 -3.287 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.202 -2.260 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.606 -2.662 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.364 -2.282 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.736 -0.137 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.234 -0.589 2.830 1.00 0.00 H new ATOM 0 HE ARG A 101 1.487 0.230 4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.933 -1.296 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.580 -0.973 1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.571 0.648 4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.936 0.116 3.769 1.00 0.00 H new ATOM 893 N GLU A 102 -2.425 -4.865 4.134 1.00 0.00 N ATOM 894 CA GLU A 102 -3.702 -5.570 4.268 1.00 0.00 C ATOM 895 C GLU A 102 -4.911 -4.639 4.375 1.00 0.00 C ATOM 896 O GLU A 102 -4.921 -3.690 5.160 1.00 0.00 O ATOM 897 CB GLU A 102 -3.652 -6.484 5.491 1.00 0.00 C ATOM 898 CG GLU A 102 -4.804 -7.476 5.570 1.00 0.00 C ATOM 899 CD GLU A 102 -4.358 -8.866 5.978 1.00 0.00 C ATOM 900 OE1 GLU A 102 -3.573 -8.984 6.946 1.00 0.00 O ATOM 901 OE2 GLU A 102 -4.793 -9.837 5.327 1.00 0.00 O ATOM 0 H GLU A 102 -2.115 -4.387 4.980 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.836 -6.147 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.712 -7.035 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.653 -5.870 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.542 -7.112 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.299 -7.529 4.600 1.00 0.00 H new ATOM 908 N CYS A 103 -5.943 -4.961 3.598 1.00 0.00 N ATOM 909 CA CYS A 103 -7.200 -4.210 3.600 1.00 0.00 C ATOM 910 C CYS A 103 -8.271 -5.022 4.321 1.00 0.00 C ATOM 911 O CYS A 103 -8.744 -6.031 3.803 1.00 0.00 O ATOM 912 CB CYS A 103 -7.647 -3.896 2.165 1.00 0.00 C ATOM 913 SG CYS A 103 -9.345 -3.238 2.027 1.00 0.00 S ATOM 0 H CYS A 103 -5.933 -5.748 2.950 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.048 -3.265 4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.955 -3.174 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.574 -4.805 1.568 1.00 0.00 H new ATOM 918 N LEU A 104 -8.626 -4.581 5.526 1.00 0.00 N ATOM 919 CA LEU A 104 -9.624 -5.257 6.358 1.00 0.00 C ATOM 920 C LEU A 104 -10.929 -5.516 5.615 1.00 0.00 C ATOM 921 O LEU A 104 -11.403 -4.673 4.853 1.00 0.00 O ATOM 922 CB LEU A 104 -9.902 -4.426 7.610 1.00 0.00 C ATOM 923 CG LEU A 104 -9.008 -4.734 8.812 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.242 -6.151 9.308 1.00 0.00 C ATOM 925 CD2 LEU A 104 -7.544 -4.532 8.454 1.00 0.00 C ATOM 0 H LEU A 104 -8.231 -3.744 5.955 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.210 -6.227 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.792 -3.371 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.941 -4.577 7.903 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.267 -4.043 9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.596 -6.348 10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.284 -6.264 9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.014 -6.858 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.923 -4.756 9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.275 -5.197 7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.383 -3.498 8.150 1.00 0.00 H new ATOM 937 N GLU A 105 -11.519 -6.685 5.872 1.00 0.00 N ATOM 938 CA GLU A 105 -12.795 -7.064 5.260 1.00 0.00 C ATOM 939 C GLU A 105 -13.825 -5.946 5.429 1.00 0.00 C ATOM 940 O GLU A 105 -14.711 -5.773 4.591 1.00 0.00 O ATOM 941 CB GLU A 105 -13.318 -8.369 5.879 1.00 0.00 C ATOM 942 CG GLU A 105 -13.806 -8.227 7.319 1.00 0.00 C ATOM 943 CD GLU A 105 -12.699 -7.865 8.289 1.00 0.00 C ATOM 944 OE1 GLU A 105 -12.000 -8.782 8.763 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.530 -6.657 8.570 1.00 0.00 O ATOM 0 H GLU A 105 -11.132 -7.388 6.502 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.631 -7.224 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.136 -8.747 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.525 -9.116 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.581 -7.462 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.266 -9.164 7.635 1.00 0.00 H new ATOM 952 N ASN A 106 -13.686 -5.181 6.515 1.00 0.00 N ATOM 953 CA ASN A 106 -14.589 -4.064 6.798 1.00 0.00 C ATOM 954 C ASN A 106 -14.341 -2.878 5.848 1.00 0.00 C ATOM 955 O ASN A 106 -15.176 -1.977 5.751 1.00 0.00 O ATOM 956 CB ASN A 106 -14.429 -3.610 8.253 1.00 0.00 C ATOM 957 CG ASN A 106 -15.268 -4.425 9.218 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.352 -4.010 9.620 1.00 0.00 O ATOM 959 ND2 ASN A 106 -14.769 -5.590 9.604 1.00 0.00 N ATOM 0 H ASN A 106 -12.955 -5.316 7.214 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.608 -4.415 6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.380 -3.684 8.539 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.708 -2.559 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.289 -6.176 10.257 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.865 -5.901 9.248 1.00 0.00 H new ATOM 966 N GLY A 107 -13.196 -2.882 5.151 1.00 0.00 N ATOM 967 CA GLY A 107 -12.873 -1.804 4.225 1.00 0.00 C ATOM 968 C GLY A 107 -11.730 -0.909 4.697 1.00 0.00 C ATOM 969 O GLY A 107 -11.305 -0.011 3.967 1.00 0.00 O ATOM 0 H GLY A 107 -12.489 -3.615 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.610 -2.234 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.761 -1.192 4.070 1.00 0.00 H new ATOM 973 N THR A 108 -11.230 -1.141 5.914 1.00 0.00 N ATOM 974 CA THR A 108 -10.136 -0.332 6.463 1.00 0.00 C ATOM 975 C THR A 108 -8.765 -0.906 6.093 1.00 0.00 C ATOM 976 O THR A 108 -8.571 -2.122 6.074 1.00 0.00 O ATOM 977 CB THR A 108 -10.264 -0.222 7.989 1.00 0.00 C ATOM 978 OG1 THR A 108 -10.476 -1.495 8.572 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.401 0.673 8.433 1.00 0.00 C ATOM 0 H THR A 108 -11.563 -1.878 6.536 1.00 0.00 H new ATOM 0 HA THR A 108 -10.213 0.662 6.023 1.00 0.00 H new ATOM 0 HB THR A 108 -9.322 0.215 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.553 -1.401 9.544 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.434 0.706 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.245 1.679 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.344 0.279 8.053 1.00 0.00 H new ATOM 987 N TRP A 109 -7.811 -0.020 5.803 1.00 0.00 N ATOM 988 CA TRP A 109 -6.457 -0.442 5.438 1.00 0.00 C ATOM 989 C TRP A 109 -5.585 -0.640 6.681 1.00 0.00 C ATOM 990 O TRP A 109 -5.414 0.276 7.486 1.00 0.00 O ATOM 991 CB TRP A 109 -5.806 0.586 4.508 1.00 0.00 C ATOM 992 CG TRP A 109 -5.953 0.258 3.051 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.706 0.933 2.135 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.334 -0.822 2.342 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.583 0.348 0.897 1.00 0.00 N ATOM 996 CE2 TRP A 109 -5.751 -0.735 1.001 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.465 -1.854 2.709 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.334 -1.637 0.029 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.051 -2.750 1.741 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -4.485 -2.637 0.415 1.00 0.00 C ATOM 0 H TRP A 109 -7.949 0.991 5.813 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.537 -1.396 4.917 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.247 1.565 4.697 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.746 0.661 4.749 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.311 1.801 2.351 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.037 0.668 0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.124 -1.949 3.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.669 -1.551 -0.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.380 -3.552 2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.143 -3.353 -0.317 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.027 -1.838 6.824 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.166 -2.155 7.958 1.00 0.00 C ATOM 1013 C ALA A 110 -2.694 -1.915 7.610 1.00 0.00 C ATOM 1014 O ALA A 110 -2.271 -2.123 6.471 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.387 -3.596 8.402 1.00 0.00 C ATOM 0 H ALA A 110 -5.156 -2.607 6.167 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.427 -1.493 8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.738 -3.819 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.428 -3.730 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.153 -4.270 7.578 1.00 0.00 H new ATOM 1021 N SER A 111 -1.911 -1.499 8.603 1.00 0.00 N ATOM 1022 CA SER A 111 -0.482 -1.247 8.407 1.00 0.00 C ATOM 1023 C SER A 111 0.325 -2.528 8.620 1.00 0.00 C ATOM 1024 O SER A 111 1.378 -2.522 9.259 1.00 0.00 O ATOM 1025 CB SER A 111 0.007 -0.142 9.352 1.00 0.00 C ATOM 1026 OG SER A 111 -0.601 1.106 9.046 1.00 0.00 O ATOM 0 H SER A 111 -2.241 -1.329 9.553 1.00 0.00 H new ATOM 0 HA SER A 111 -0.333 -0.913 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.219 -0.416 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.090 -0.049 9.277 1.00 0.00 H new ATOM 0 HG SER A 111 -0.525 1.280 8.085 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.193 -3.624 8.069 1.00 0.00 N ATOM 1033 CA ARG A 112 0.448 -4.939 8.169 1.00 0.00 C ATOM 1034 C ARG A 112 1.883 -4.924 7.624 1.00 0.00 C ATOM 1035 O ARG A 112 2.689 -5.790 7.972 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.385 -5.984 7.416 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.530 -6.564 8.235 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.216 -7.973 8.716 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.401 -7.961 9.934 1.00 0.00 N ATOM 1040 CZ ARG A 112 -0.885 -7.812 11.164 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -2.182 -7.695 11.370 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -0.060 -7.780 12.191 1.00 0.00 N ATOM 0 H ARG A 112 -1.066 -3.629 7.542 1.00 0.00 H new ATOM 0 HA ARG A 112 0.500 -5.200 9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.791 -5.529 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.269 -6.796 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.727 -5.921 9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.438 -6.578 7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.146 -8.508 8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.690 -8.517 7.931 1.00 0.00 H new ATOM 0 HE ARG A 112 0.607 -8.075 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.828 -7.718 10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.540 -7.581 12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.945 -7.869 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.426 -7.666 13.136 1.00 0.00 H new ATOM 1056 N VAL A 113 2.196 -3.941 6.770 1.00 0.00 N ATOM 1057 CA VAL A 113 3.530 -3.819 6.182 1.00 0.00 C ATOM 1058 C VAL A 113 4.625 -3.949 7.246 1.00 0.00 C ATOM 1059 O VAL A 113 4.672 -3.171 8.204 1.00 0.00 O ATOM 1060 CB VAL A 113 3.706 -2.484 5.440 1.00 0.00 C ATOM 1061 CG1 VAL A 113 3.309 -1.313 6.327 1.00 0.00 C ATOM 1062 CG2 VAL A 113 5.140 -2.335 4.944 1.00 0.00 C ATOM 0 H VAL A 113 1.540 -3.219 6.472 1.00 0.00 H new ATOM 0 HA VAL A 113 3.627 -4.635 5.466 1.00 0.00 H new ATOM 0 HB VAL A 113 3.045 -2.483 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.442 -0.380 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.264 -1.416 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.936 -1.303 7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.247 -1.385 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.823 -2.361 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.376 -3.153 4.263 1.00 0.00 H new ATOM 1072 N ASN A 114 5.504 -4.930 7.073 1.00 0.00 N ATOM 1073 CA ASN A 114 6.593 -5.154 8.023 1.00 0.00 C ATOM 1074 C ASN A 114 7.941 -4.729 7.435 1.00 0.00 C ATOM 1075 O ASN A 114 8.753 -5.572 7.041 1.00 0.00 O ATOM 1076 CB ASN A 114 6.634 -6.628 8.456 1.00 0.00 C ATOM 1077 CG ASN A 114 7.411 -6.833 9.746 1.00 0.00 C ATOM 1078 OD1 ASN A 114 8.526 -6.337 9.900 1.00 0.00 O ATOM 1079 ND2 ASN A 114 6.827 -7.565 10.683 1.00 0.00 N ATOM 0 H ASN A 114 5.486 -5.581 6.288 1.00 0.00 H new ATOM 0 HA ASN A 114 6.403 -4.537 8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.616 -6.994 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.087 -7.224 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.303 -7.734 11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.901 -7.960 10.518 1.00 0.00 H new ATOM 1086 N TYR A 115 8.177 -3.415 7.393 1.00 0.00 N ATOM 1087 CA TYR A 115 9.438 -2.876 6.869 1.00 0.00 C ATOM 1088 C TYR A 115 10.629 -3.511 7.590 1.00 0.00 C ATOM 1089 O TYR A 115 11.643 -3.830 6.970 1.00 0.00 O ATOM 1090 CB TYR A 115 9.528 -1.348 7.034 1.00 0.00 C ATOM 1091 CG TYR A 115 8.247 -0.575 6.797 1.00 0.00 C ATOM 1092 CD1 TYR A 115 7.337 -0.369 7.827 1.00 0.00 C ATOM 1093 CD2 TYR A 115 7.967 -0.024 5.555 1.00 0.00 C ATOM 1094 CE1 TYR A 115 6.181 0.359 7.621 1.00 0.00 C ATOM 1095 CE2 TYR A 115 6.816 0.710 5.343 1.00 0.00 C ATOM 1096 CZ TYR A 115 5.926 0.897 6.380 1.00 0.00 C ATOM 1097 OH TYR A 115 4.780 1.631 6.176 1.00 0.00 O ATOM 0 H TYR A 115 7.516 -2.707 7.713 1.00 0.00 H new ATOM 0 HA TYR A 115 9.463 -3.115 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 115 9.877 -1.132 8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 115 10.287 -0.973 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.537 -0.784 8.804 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.660 -0.171 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.481 0.505 8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.614 1.135 4.371 1.00 0.00 H new ATOM 0 HH TYR A 115 4.651 2.251 6.924 1.00 0.00 H new ATOM 1107 N SER A 116 10.491 -3.683 8.907 1.00 0.00 N ATOM 1108 CA SER A 116 11.538 -4.272 9.748 1.00 0.00 C ATOM 1109 C SER A 116 12.191 -5.484 9.086 1.00 0.00 C ATOM 1110 O SER A 116 13.414 -5.620 9.105 1.00 0.00 O ATOM 1111 CB SER A 116 10.964 -4.677 11.113 1.00 0.00 C ATOM 1112 OG SER A 116 9.550 -4.548 11.137 1.00 0.00 O ATOM 0 H SER A 116 9.651 -3.418 9.421 1.00 0.00 H new ATOM 0 HA SER A 116 12.305 -3.510 9.885 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.241 -5.708 11.335 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.401 -4.054 11.893 1.00 0.00 H new ATOM 0 HG SER A 116 9.158 -5.111 10.437 1.00 0.00 H new ATOM 1118 N HIS A 117 11.378 -6.361 8.494 1.00 0.00 N ATOM 1119 CA HIS A 117 11.901 -7.556 7.828 1.00 0.00 C ATOM 1120 C HIS A 117 12.831 -7.198 6.659 1.00 0.00 C ATOM 1121 O HIS A 117 13.641 -8.028 6.236 1.00 0.00 O ATOM 1122 CB HIS A 117 10.751 -8.445 7.343 1.00 0.00 C ATOM 1123 CG HIS A 117 10.404 -9.541 8.302 1.00 0.00 C ATOM 1124 ND1 HIS A 117 11.316 -10.482 8.732 1.00 0.00 N ATOM 1125 CD2 HIS A 117 9.239 -9.840 8.923 1.00 0.00 C ATOM 1126 CE1 HIS A 117 10.728 -11.313 9.573 1.00 0.00 C ATOM 1127 NE2 HIS A 117 9.467 -10.944 9.710 1.00 0.00 N ATOM 0 H HIS A 117 10.363 -6.268 8.462 1.00 0.00 H new ATOM 0 HA HIS A 117 12.491 -8.107 8.560 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.869 -7.827 7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.021 -8.884 6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.304 -9.310 8.819 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.198 -12.152 10.065 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.775 -11.403 10.303 1.00 0.00 H new ATOM 1136 N CYS A 118 12.723 -5.964 6.153 1.00 0.00 N ATOM 1137 CA CYS A 118 13.565 -5.497 5.047 1.00 0.00 C ATOM 1138 C CYS A 118 14.806 -4.746 5.554 1.00 0.00 C ATOM 1139 O CYS A 118 15.687 -4.415 4.764 1.00 0.00 O ATOM 1140 CB CYS A 118 12.769 -4.577 4.114 1.00 0.00 C ATOM 1141 SG CYS A 118 11.101 -5.185 3.697 1.00 0.00 S ATOM 0 H CYS A 118 12.058 -5.269 6.494 1.00 0.00 H new ATOM 0 HA CYS A 118 13.893 -6.381 4.501 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.678 -3.597 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.333 -4.439 3.192 1.00 0.00 H new ATOM 1146 N GLU A 119 14.864 -4.478 6.868 1.00 0.00 N ATOM 1147 CA GLU A 119 15.986 -3.763 7.471 1.00 0.00 C ATOM 1148 C GLU A 119 15.977 -2.275 7.076 1.00 0.00 C ATOM 1149 O GLU A 119 15.147 -1.844 6.272 1.00 0.00 O ATOM 1150 CB GLU A 119 17.296 -4.424 7.056 1.00 0.00 C ATOM 1151 CG GLU A 119 18.096 -5.008 8.216 1.00 0.00 C ATOM 1152 CD GLU A 119 18.162 -6.520 8.170 1.00 0.00 C ATOM 1153 OE1 GLU A 119 18.718 -7.059 7.185 1.00 0.00 O ATOM 1154 OE2 GLU A 119 17.646 -7.165 9.104 1.00 0.00 O ATOM 0 H GLU A 119 14.139 -4.750 7.532 1.00 0.00 H new ATOM 0 HA GLU A 119 15.888 -3.813 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.079 -5.219 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.912 -3.690 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.108 -4.602 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.645 -4.695 9.158 1.00 0.00 H new