USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=15 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 Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.404! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -45:sc= -1.23! USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.96) USER MOD Single : A 74 SER OG : rot -133:sc= -0.784 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0.683! (180deg=0.683!) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.2! USER MOD Single : A 94 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.27) USER MOD Single : A 95 THR OG1 : rot 58:sc= 0.267 USER MOD Single : A 96 THR OG1 : rot 52:sc= -0.221 USER MOD Single : A 98 ASN : amide:sc= -0.555 K(o=-0.55,f=-2.5!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.968 K(o=0.97,f=-0.29) USER MOD Single : A 108 THR OG1 : rot -140:sc= -1.92! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 1.56 K(o=1.6,f=-10!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc=-0.000308 X(o=-0.00031,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -15.342 -1.285 -2.115 1.00 0.00 N ATOM 230 CA TYR A 59 -13.917 -1.590 -2.096 1.00 0.00 C ATOM 231 C TYR A 59 -13.211 -0.940 -0.897 1.00 0.00 C ATOM 232 O TYR A 59 -13.841 -0.254 -0.090 1.00 0.00 O ATOM 233 CB TYR A 59 -13.249 -1.155 -3.408 1.00 0.00 C ATOM 234 CG TYR A 59 -13.530 0.272 -3.854 1.00 0.00 C ATOM 235 CD1 TYR A 59 -13.416 1.348 -2.981 1.00 0.00 C ATOM 236 CD2 TYR A 59 -13.871 0.540 -5.175 1.00 0.00 C ATOM 237 CE1 TYR A 59 -13.630 2.646 -3.412 1.00 0.00 C ATOM 238 CE2 TYR A 59 -14.094 1.833 -5.610 1.00 0.00 C ATOM 239 CZ TYR A 59 -13.971 2.882 -4.727 1.00 0.00 C ATOM 240 OH TYR A 59 -14.162 4.178 -5.167 1.00 0.00 O ATOM 0 HA TYR A 59 -13.819 -2.671 -1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.171 -1.277 -3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.570 -1.833 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.156 1.168 -1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.963 -0.278 -5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.530 3.470 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.364 2.020 -6.639 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.396 4.169 -6.119 1.00 0.00 H new ATOM 250 N CYS A 60 -11.895 -1.167 -0.790 1.00 0.00 N ATOM 251 CA CYS A 60 -11.094 -0.608 0.311 1.00 0.00 C ATOM 252 C CYS A 60 -11.192 0.915 0.363 1.00 0.00 C ATOM 253 O CYS A 60 -11.678 1.552 -0.567 1.00 0.00 O ATOM 254 CB CYS A 60 -9.626 -1.024 0.187 1.00 0.00 C ATOM 255 SG CYS A 60 -9.340 -2.806 0.414 1.00 0.00 S ATOM 0 H CYS A 60 -11.362 -1.733 -1.450 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.503 -1.011 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.257 -0.730 -0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.040 -0.476 0.925 1.00 0.00 H new ATOM 260 N ASN A 61 -10.729 1.495 1.464 1.00 0.00 N ATOM 261 CA ASN A 61 -10.773 2.945 1.669 1.00 0.00 C ATOM 262 C ASN A 61 -9.775 3.734 0.805 1.00 0.00 C ATOM 263 O ASN A 61 -9.291 4.775 1.248 1.00 0.00 O ATOM 264 CB ASN A 61 -10.486 3.222 3.136 1.00 0.00 C ATOM 265 CG ASN A 61 -11.652 3.857 3.868 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.224 3.266 4.778 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.008 5.072 3.479 1.00 0.00 N ATOM 0 H ASN A 61 -10.313 0.979 2.239 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.765 3.282 1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.222 2.287 3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.619 3.878 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.783 5.549 3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.507 5.531 2.718 1.00 0.00 H new ATOM 274 N THR A 62 -9.484 3.249 -0.414 1.00 0.00 N ATOM 275 CA THR A 62 -8.554 3.906 -1.356 1.00 0.00 C ATOM 276 C THR A 62 -7.787 5.063 -0.717 1.00 0.00 C ATOM 277 O THR A 62 -8.272 6.196 -0.667 1.00 0.00 O ATOM 278 CB THR A 62 -9.316 4.383 -2.599 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.823 3.277 -3.328 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.474 5.201 -3.556 1.00 0.00 C ATOM 0 H THR A 62 -9.888 2.386 -0.778 1.00 0.00 H new ATOM 0 HA THR A 62 -7.811 3.164 -1.648 1.00 0.00 H new ATOM 0 HB THR A 62 -10.115 5.016 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.308 3.599 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.082 5.502 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.101 6.089 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.632 4.602 -3.903 1.00 0.00 H new ATOM 288 N THR A 63 -6.598 4.761 -0.207 1.00 0.00 N ATOM 289 CA THR A 63 -5.778 5.766 0.465 1.00 0.00 C ATOM 290 C THR A 63 -4.291 5.656 0.111 1.00 0.00 C ATOM 291 O THR A 63 -3.911 5.061 -0.898 1.00 0.00 O ATOM 292 CB THR A 63 -5.954 5.613 1.976 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.280 6.656 2.663 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.420 4.295 2.508 1.00 0.00 C ATOM 0 H THR A 63 -6.180 3.831 -0.245 1.00 0.00 H new ATOM 0 HA THR A 63 -6.113 6.746 0.126 1.00 0.00 H new ATOM 0 HB THR A 63 -7.029 5.651 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.404 6.545 3.629 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.575 4.248 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.947 3.469 2.030 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.354 4.220 2.291 1.00 0.00 H new ATOM 302 N LEU A 64 -3.461 6.235 0.977 1.00 0.00 N ATOM 303 CA LEU A 64 -2.015 6.219 0.822 1.00 0.00 C ATOM 304 C LEU A 64 -1.350 6.203 2.197 1.00 0.00 C ATOM 305 O LEU A 64 -1.848 6.819 3.141 1.00 0.00 O ATOM 306 CB LEU A 64 -1.555 7.436 0.024 1.00 0.00 C ATOM 307 CG LEU A 64 -0.101 7.398 -0.453 1.00 0.00 C ATOM 308 CD1 LEU A 64 -0.036 7.440 -1.971 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.685 8.557 0.143 1.00 0.00 C ATOM 0 H LEU A 64 -3.779 6.731 1.810 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.725 5.321 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.202 7.544 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.695 8.326 0.638 1.00 0.00 H new ATOM 0 HG LEU A 64 0.347 6.464 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.005 7.412 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.565 6.580 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.502 8.358 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.717 8.515 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.235 9.500 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.667 8.488 1.231 1.00 0.00 H new ATOM 321 N ASP A 65 -0.238 5.495 2.302 1.00 0.00 N ATOM 322 CA ASP A 65 0.486 5.392 3.566 1.00 0.00 C ATOM 323 C ASP A 65 1.850 6.078 3.480 1.00 0.00 C ATOM 324 O ASP A 65 2.143 6.760 2.494 1.00 0.00 O ATOM 325 CB ASP A 65 0.653 3.919 3.945 1.00 0.00 C ATOM 326 CG ASP A 65 0.518 3.689 5.430 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.396 4.159 6.183 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.461 3.030 5.841 1.00 0.00 O ATOM 0 H ASP A 65 0.186 4.982 1.529 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.093 5.900 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.093 3.324 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.631 3.570 3.613 1.00 0.00 H new ATOM 333 N GLN A 66 2.682 5.885 4.514 1.00 0.00 N ATOM 334 CA GLN A 66 4.026 6.477 4.553 1.00 0.00 C ATOM 335 C GLN A 66 4.668 6.414 3.169 1.00 0.00 C ATOM 336 O GLN A 66 5.052 7.440 2.603 1.00 0.00 O ATOM 337 CB GLN A 66 4.899 5.752 5.586 1.00 0.00 C ATOM 338 CG GLN A 66 5.625 6.696 6.539 1.00 0.00 C ATOM 339 CD GLN A 66 5.784 6.122 7.935 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.181 6.605 8.889 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.610 5.093 8.066 1.00 0.00 N ATOM 0 H GLN A 66 2.448 5.324 5.333 1.00 0.00 H new ATOM 0 HA GLN A 66 3.941 7.523 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.274 5.073 6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.634 5.140 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.610 6.927 6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.076 7.636 6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.093 4.720 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.762 4.675 8.984 1.00 0.00 H new ATOM 350 N ILE A 67 4.738 5.207 2.610 1.00 0.00 N ATOM 351 CA ILE A 67 5.277 5.019 1.272 1.00 0.00 C ATOM 352 C ILE A 67 4.184 5.328 0.249 1.00 0.00 C ATOM 353 O ILE A 67 3.200 4.589 0.141 1.00 0.00 O ATOM 354 CB ILE A 67 5.810 3.583 1.050 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.785 2.538 1.500 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.127 3.384 1.785 1.00 0.00 C ATOM 357 CD1 ILE A 67 4.456 1.518 0.431 1.00 0.00 C ATOM 0 H ILE A 67 4.428 4.348 3.065 1.00 0.00 H new ATOM 0 HA ILE A 67 6.121 5.698 1.150 1.00 0.00 H new ATOM 0 HB ILE A 67 5.982 3.450 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.167 2.021 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.869 3.045 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.487 2.369 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.863 4.096 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.976 3.544 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.724 0.809 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.044 2.025 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.363 0.984 0.146 1.00 0.00 H new ATOM 369 N GLY A 68 4.339 6.445 -0.468 1.00 0.00 N ATOM 370 CA GLY A 68 3.342 6.866 -1.452 1.00 0.00 C ATOM 371 C GLY A 68 3.122 5.875 -2.581 1.00 0.00 C ATOM 372 O GLY A 68 3.363 6.190 -3.743 1.00 0.00 O ATOM 0 H GLY A 68 5.141 7.070 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.394 7.034 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.649 7.821 -1.877 1.00 0.00 H new ATOM 376 N THR A 69 2.658 4.677 -2.239 1.00 0.00 N ATOM 377 CA THR A 69 2.401 3.634 -3.232 1.00 0.00 C ATOM 378 C THR A 69 0.934 3.600 -3.655 1.00 0.00 C ATOM 379 O THR A 69 0.593 3.031 -4.691 1.00 0.00 O ATOM 380 CB THR A 69 2.825 2.269 -2.684 1.00 0.00 C ATOM 381 OG1 THR A 69 3.421 1.486 -3.706 1.00 0.00 O ATOM 382 CG2 THR A 69 1.688 1.457 -2.086 1.00 0.00 C ATOM 0 H THR A 69 2.451 4.402 -1.279 1.00 0.00 H new ATOM 0 HA THR A 69 2.993 3.868 -4.117 1.00 0.00 H new ATOM 0 HB THR A 69 3.531 2.496 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.881 1.546 -4.521 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.073 0.505 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.243 2.009 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.931 1.274 -2.849 1.00 0.00 H new ATOM 390 N CYS A 70 0.083 4.211 -2.838 1.00 0.00 N ATOM 391 CA CYS A 70 -1.356 4.265 -3.087 1.00 0.00 C ATOM 392 C CYS A 70 -2.019 2.923 -2.770 1.00 0.00 C ATOM 393 O CYS A 70 -1.574 1.869 -3.232 1.00 0.00 O ATOM 394 CB CYS A 70 -1.639 4.665 -4.534 1.00 0.00 C ATOM 395 SG CYS A 70 -3.348 5.226 -4.829 1.00 0.00 S ATOM 0 H CYS A 70 0.371 4.685 -1.982 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.780 5.021 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.952 5.461 -4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.430 3.814 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.490 5.545 -6.081 1.00 0.00 H new ATOM 400 N TRP A 71 -3.084 2.973 -1.976 1.00 0.00 N ATOM 401 CA TRP A 71 -3.817 1.773 -1.581 1.00 0.00 C ATOM 402 C TRP A 71 -5.305 1.917 -1.926 1.00 0.00 C ATOM 403 O TRP A 71 -6.125 2.269 -1.070 1.00 0.00 O ATOM 404 CB TRP A 71 -3.631 1.520 -0.082 1.00 0.00 C ATOM 405 CG TRP A 71 -2.197 1.534 0.352 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.554 2.533 1.023 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.231 0.498 0.145 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.243 2.183 1.242 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.021 0.938 0.713 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.273 -0.757 -0.467 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.137 0.163 0.687 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.124 -1.526 -0.490 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.066 -1.066 0.083 1.00 0.00 C ATOM 0 H TRP A 71 -3.462 3.839 -1.590 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.422 0.919 -2.131 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.179 2.278 0.477 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.070 0.556 0.173 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.008 3.462 1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.452 2.756 1.720 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.187 -1.120 -0.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.057 0.518 1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.146 -2.499 -0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.946 -1.691 0.049 1.00 0.00 H new ATOM 424 N PRO A 72 -5.666 1.670 -3.203 1.00 0.00 N ATOM 425 CA PRO A 72 -7.044 1.794 -3.685 1.00 0.00 C ATOM 426 C PRO A 72 -7.893 0.534 -3.500 1.00 0.00 C ATOM 427 O PRO A 72 -7.540 -0.365 -2.738 1.00 0.00 O ATOM 428 CB PRO A 72 -6.845 2.103 -5.159 1.00 0.00 C ATOM 429 CG PRO A 72 -5.579 1.405 -5.542 1.00 0.00 C ATOM 430 CD PRO A 72 -4.746 1.277 -4.288 1.00 0.00 C ATOM 0 HA PRO A 72 -7.598 2.549 -3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.686 1.745 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.769 3.177 -5.329 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.793 0.423 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.043 1.970 -6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.383 0.258 -4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.871 1.926 -4.323 1.00 0.00 H new ATOM 438 N GLN A 73 -9.031 0.507 -4.198 1.00 0.00 N ATOM 439 CA GLN A 73 -9.985 -0.605 -4.141 1.00 0.00 C ATOM 440 C GLN A 73 -9.305 -1.980 -4.213 1.00 0.00 C ATOM 441 O GLN A 73 -8.923 -2.447 -5.287 1.00 0.00 O ATOM 442 CB GLN A 73 -11.006 -0.467 -5.275 1.00 0.00 C ATOM 443 CG GLN A 73 -10.389 -0.485 -6.661 1.00 0.00 C ATOM 444 CD GLN A 73 -11.170 0.337 -7.671 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.384 0.201 -7.789 1.00 0.00 O ATOM 446 NE2 GLN A 73 -10.475 1.193 -8.406 1.00 0.00 N ATOM 0 H GLN A 73 -9.319 1.260 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.485 -0.550 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.730 -1.278 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.556 0.465 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.369 -0.105 -6.603 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.326 -1.515 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.467 1.275 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.948 1.770 -9.101 1.00 0.00 H new ATOM 455 N SER A 74 -9.176 -2.626 -3.057 1.00 0.00 N ATOM 456 CA SER A 74 -8.563 -3.953 -2.976 1.00 0.00 C ATOM 457 C SER A 74 -9.618 -5.032 -2.733 1.00 0.00 C ATOM 458 O SER A 74 -9.528 -6.120 -3.300 1.00 0.00 O ATOM 459 CB SER A 74 -7.524 -3.991 -1.857 1.00 0.00 C ATOM 460 OG SER A 74 -6.612 -5.058 -2.046 1.00 0.00 O ATOM 0 H SER A 74 -9.488 -2.253 -2.160 1.00 0.00 H new ATOM 0 HA SER A 74 -8.074 -4.153 -3.929 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.982 -3.046 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.024 -4.102 -0.895 1.00 0.00 H new ATOM 0 HG SER A 74 -6.499 -5.545 -1.203 1.00 0.00 H new ATOM 466 N ALA A 75 -10.599 -4.704 -1.875 1.00 0.00 N ATOM 467 CA ALA A 75 -11.708 -5.599 -1.496 1.00 0.00 C ATOM 468 C ALA A 75 -11.624 -5.960 -0.010 1.00 0.00 C ATOM 469 O ALA A 75 -10.530 -6.115 0.538 1.00 0.00 O ATOM 470 CB ALA A 75 -11.750 -6.866 -2.344 1.00 0.00 C ATOM 0 H ALA A 75 -10.645 -3.794 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.633 -5.054 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.584 -7.490 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.878 -6.598 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.817 -7.417 -2.222 1.00 0.00 H new ATOM 476 N PRO A 76 -12.785 -6.095 0.663 1.00 0.00 N ATOM 477 CA PRO A 76 -12.839 -6.438 2.093 1.00 0.00 C ATOM 478 C PRO A 76 -12.213 -7.802 2.387 1.00 0.00 C ATOM 479 O PRO A 76 -12.595 -8.813 1.792 1.00 0.00 O ATOM 480 CB PRO A 76 -14.342 -6.455 2.406 1.00 0.00 C ATOM 481 CG PRO A 76 -15.014 -6.620 1.086 1.00 0.00 C ATOM 482 CD PRO A 76 -14.134 -5.926 0.088 1.00 0.00 C ATOM 0 HA PRO A 76 -12.276 -5.730 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.594 -7.273 3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.653 -5.531 2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.132 -7.675 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.012 -6.182 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.211 -6.378 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.398 -4.874 -0.020 1.00 0.00 H new ATOM 490 N GLY A 77 -11.242 -7.820 3.303 1.00 0.00 N ATOM 491 CA GLY A 77 -10.566 -9.062 3.655 1.00 0.00 C ATOM 492 C GLY A 77 -9.605 -9.512 2.572 1.00 0.00 C ATOM 493 O GLY A 77 -9.746 -10.602 2.021 1.00 0.00 O ATOM 0 H GLY A 77 -10.912 -6.997 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.021 -8.926 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.308 -9.842 3.829 1.00 0.00 H new ATOM 497 N ALA A 78 -8.633 -8.658 2.258 1.00 0.00 N ATOM 498 CA ALA A 78 -7.654 -8.957 1.227 1.00 0.00 C ATOM 499 C ALA A 78 -6.300 -8.328 1.545 1.00 0.00 C ATOM 500 O ALA A 78 -6.221 -7.193 2.027 1.00 0.00 O ATOM 501 CB ALA A 78 -8.162 -8.472 -0.126 1.00 0.00 C ATOM 0 H ALA A 78 -8.506 -7.751 2.707 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.515 -10.038 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.423 -8.699 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.100 -8.974 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.327 -7.395 -0.088 1.00 0.00 H new ATOM 507 N LEU A 79 -5.244 -9.075 1.263 1.00 0.00 N ATOM 508 CA LEU A 79 -3.879 -8.619 1.499 1.00 0.00 C ATOM 509 C LEU A 79 -3.224 -8.164 0.193 1.00 0.00 C ATOM 510 O LEU A 79 -3.421 -8.776 -0.858 1.00 0.00 O ATOM 511 CB LEU A 79 -3.056 -9.738 2.145 1.00 0.00 C ATOM 512 CG LEU A 79 -1.701 -9.314 2.716 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.516 -9.870 4.117 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.574 -9.778 1.808 1.00 0.00 C ATOM 0 H LEU A 79 -5.306 -10.012 0.865 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.912 -7.767 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.646 -10.182 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.890 -10.518 1.402 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.676 -8.226 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.547 -9.558 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.307 -9.493 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.561 -10.959 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.383 -9.468 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.599 -10.864 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.697 -9.334 0.820 1.00 0.00 H new ATOM 526 N VAL A 80 -2.452 -7.080 0.272 1.00 0.00 N ATOM 527 CA VAL A 80 -1.769 -6.531 -0.896 1.00 0.00 C ATOM 528 C VAL A 80 -0.274 -6.373 -0.630 1.00 0.00 C ATOM 529 O VAL A 80 0.136 -5.688 0.308 1.00 0.00 O ATOM 530 CB VAL A 80 -2.354 -5.164 -1.310 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.813 -4.733 -2.665 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.871 -5.216 -1.333 1.00 0.00 C ATOM 0 H VAL A 80 -2.285 -6.565 1.136 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.922 -7.239 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.047 -4.425 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.239 -3.767 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.727 -4.649 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.084 -5.473 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.264 -4.243 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.198 -5.971 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.241 -5.472 -0.340 1.00 0.00 H new ATOM 542 N GLU A 81 0.536 -7.013 -1.460 1.00 0.00 N ATOM 543 CA GLU A 81 1.989 -6.954 -1.324 1.00 0.00 C ATOM 544 C GLU A 81 2.610 -6.075 -2.408 1.00 0.00 C ATOM 545 O GLU A 81 2.052 -5.922 -3.497 1.00 0.00 O ATOM 546 CB GLU A 81 2.591 -8.361 -1.397 1.00 0.00 C ATOM 547 CG GLU A 81 1.961 -9.347 -0.424 1.00 0.00 C ATOM 548 CD GLU A 81 0.940 -10.247 -1.084 1.00 0.00 C ATOM 549 OE1 GLU A 81 -0.169 -9.762 -1.391 1.00 0.00 O ATOM 550 OE2 GLU A 81 1.253 -11.435 -1.295 1.00 0.00 O ATOM 0 H GLU A 81 0.212 -7.584 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 81 2.212 -6.516 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.478 -8.743 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.661 -8.300 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.744 -9.959 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.484 -8.796 0.387 1.00 0.00 H new ATOM 557 N ARG A 82 3.771 -5.509 -2.100 1.00 0.00 N ATOM 558 CA ARG A 82 4.485 -4.649 -3.042 1.00 0.00 C ATOM 559 C ARG A 82 5.999 -4.864 -2.928 1.00 0.00 C ATOM 560 O ARG A 82 6.526 -4.991 -1.818 1.00 0.00 O ATOM 561 CB ARG A 82 4.124 -3.180 -2.808 1.00 0.00 C ATOM 562 CG ARG A 82 4.032 -2.785 -1.336 1.00 0.00 C ATOM 563 CD ARG A 82 5.348 -2.228 -0.796 1.00 0.00 C ATOM 564 NE ARG A 82 6.206 -1.668 -1.846 1.00 0.00 N ATOM 565 CZ ARG A 82 5.866 -0.668 -2.648 1.00 0.00 C ATOM 566 NH1 ARG A 82 4.697 -0.084 -2.526 1.00 0.00 N ATOM 567 NH2 ARG A 82 6.709 -0.255 -3.568 1.00 0.00 N ATOM 0 H ARG A 82 4.241 -5.629 -1.203 1.00 0.00 H new ATOM 0 HA ARG A 82 4.180 -4.917 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.870 -2.552 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.168 -2.971 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.247 -2.039 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.741 -3.655 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.134 -1.455 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.887 -3.021 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 82 7.132 -2.078 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.042 -0.399 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.444 0.684 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.620 -0.703 -3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.452 0.514 -4.187 1.00 0.00 H new ATOM 581 N PRO A 83 6.709 -4.938 -4.079 1.00 0.00 N ATOM 582 CA PRO A 83 8.172 -5.178 -4.131 1.00 0.00 C ATOM 583 C PRO A 83 9.026 -4.117 -3.420 1.00 0.00 C ATOM 584 O PRO A 83 9.965 -3.571 -4.007 1.00 0.00 O ATOM 585 CB PRO A 83 8.481 -5.177 -5.635 1.00 0.00 C ATOM 586 CG PRO A 83 7.322 -4.499 -6.278 1.00 0.00 C ATOM 587 CD PRO A 83 6.132 -4.833 -5.431 1.00 0.00 C ATOM 0 HA PRO A 83 8.420 -6.102 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.411 -4.648 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.600 -6.193 -6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.477 -3.421 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.184 -4.848 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.368 -4.058 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.663 -5.766 -5.744 1.00 0.00 H new ATOM 595 N CYS A 84 8.723 -3.849 -2.149 1.00 0.00 N ATOM 596 CA CYS A 84 9.481 -2.874 -1.364 1.00 0.00 C ATOM 597 C CYS A 84 9.480 -1.490 -2.039 1.00 0.00 C ATOM 598 O CYS A 84 8.885 -1.311 -3.110 1.00 0.00 O ATOM 599 CB CYS A 84 10.912 -3.393 -1.164 1.00 0.00 C ATOM 600 SG CYS A 84 11.149 -4.320 0.391 1.00 0.00 S ATOM 0 H CYS A 84 7.958 -4.293 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 84 9.005 -2.752 -0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.176 -4.036 -2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.601 -2.548 -1.181 1.00 0.00 H new ATOM 605 N PRO A 85 10.114 -0.478 -1.415 1.00 0.00 N ATOM 606 CA PRO A 85 10.153 0.879 -1.975 1.00 0.00 C ATOM 607 C PRO A 85 11.179 1.011 -3.103 1.00 0.00 C ATOM 608 O PRO A 85 12.274 0.465 -3.017 1.00 0.00 O ATOM 609 CB PRO A 85 10.554 1.733 -0.773 1.00 0.00 C ATOM 610 CG PRO A 85 11.365 0.827 0.085 1.00 0.00 C ATOM 611 CD PRO A 85 10.819 -0.559 -0.117 1.00 0.00 C ATOM 0 HA PRO A 85 9.205 1.171 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.130 2.605 -1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.678 2.102 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 85 12.419 0.872 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 85 11.297 1.121 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.616 -1.303 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 85 10.142 -0.843 0.688 1.00 0.00 H new ATOM 619 N GLU A 86 10.823 1.737 -4.163 1.00 0.00 N ATOM 620 CA GLU A 86 11.735 1.933 -5.296 1.00 0.00 C ATOM 621 C GLU A 86 12.735 3.060 -5.011 1.00 0.00 C ATOM 622 O GLU A 86 13.864 3.047 -5.516 1.00 0.00 O ATOM 623 CB GLU A 86 10.949 2.235 -6.575 1.00 0.00 C ATOM 624 CG GLU A 86 11.498 1.521 -7.802 1.00 0.00 C ATOM 625 CD GLU A 86 10.505 0.548 -8.409 1.00 0.00 C ATOM 626 OE1 GLU A 86 10.353 -0.564 -7.859 1.00 0.00 O ATOM 627 OE2 GLU A 86 9.883 0.898 -9.433 1.00 0.00 O ATOM 0 H GLU A 86 9.918 2.197 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 86 12.294 1.008 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.908 1.946 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.959 3.310 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.780 2.261 -8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.406 0.983 -7.528 1.00 0.00 H new ATOM 634 N TYR A 87 12.307 4.026 -4.202 1.00 0.00 N ATOM 635 CA TYR A 87 13.142 5.164 -3.824 1.00 0.00 C ATOM 636 C TYR A 87 12.435 5.999 -2.752 1.00 0.00 C ATOM 637 O TYR A 87 11.872 7.059 -3.037 1.00 0.00 O ATOM 638 CB TYR A 87 13.471 6.030 -5.050 1.00 0.00 C ATOM 639 CG TYR A 87 14.681 6.929 -4.870 1.00 0.00 C ATOM 640 CD1 TYR A 87 15.451 6.884 -3.712 1.00 0.00 C ATOM 641 CD2 TYR A 87 15.050 7.826 -5.864 1.00 0.00 C ATOM 642 CE1 TYR A 87 16.551 7.707 -3.553 1.00 0.00 C ATOM 643 CE2 TYR A 87 16.149 8.651 -5.710 1.00 0.00 C ATOM 644 CZ TYR A 87 16.894 8.586 -4.554 1.00 0.00 C ATOM 645 OH TYR A 87 17.987 9.405 -4.401 1.00 0.00 O ATOM 0 H TYR A 87 11.374 4.042 -3.791 1.00 0.00 H new ATOM 0 HA TYR A 87 14.079 4.786 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.641 5.378 -5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.605 6.648 -5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 87 15.185 6.195 -2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.469 7.880 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 87 17.138 7.660 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.422 9.343 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 87 18.091 9.964 -5.199 1.00 0.00 H new ATOM 655 N PHE A 88 12.460 5.501 -1.521 1.00 0.00 N ATOM 656 CA PHE A 88 11.817 6.185 -0.398 1.00 0.00 C ATOM 657 C PHE A 88 12.818 6.540 0.712 1.00 0.00 C ATOM 658 O PHE A 88 12.459 7.187 1.696 1.00 0.00 O ATOM 659 CB PHE A 88 10.680 5.318 0.151 1.00 0.00 C ATOM 660 CG PHE A 88 9.398 5.471 -0.623 1.00 0.00 C ATOM 661 CD1 PHE A 88 8.651 6.632 -0.516 1.00 0.00 C ATOM 662 CD2 PHE A 88 8.944 4.463 -1.462 1.00 0.00 C ATOM 663 CE1 PHE A 88 7.478 6.786 -1.226 1.00 0.00 C ATOM 664 CE2 PHE A 88 7.770 4.612 -2.175 1.00 0.00 C ATOM 665 CZ PHE A 88 7.036 5.776 -2.058 1.00 0.00 C ATOM 0 H PHE A 88 12.919 4.625 -1.272 1.00 0.00 H new ATOM 0 HA PHE A 88 11.408 7.126 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.987 4.272 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.502 5.580 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.991 7.427 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.515 3.551 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.905 7.697 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.427 3.819 -2.823 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.119 5.896 -2.616 1.00 0.00 H new ATOM 675 N ASN A 89 14.070 6.131 0.534 1.00 0.00 N ATOM 676 CA ASN A 89 15.130 6.415 1.498 1.00 0.00 C ATOM 677 C ASN A 89 16.398 6.846 0.765 1.00 0.00 C ATOM 678 O ASN A 89 16.416 6.918 -0.467 1.00 0.00 O ATOM 679 CB ASN A 89 15.407 5.173 2.354 1.00 0.00 C ATOM 680 CG ASN A 89 14.549 5.129 3.601 1.00 0.00 C ATOM 681 OD1 ASN A 89 13.612 4.343 3.694 1.00 0.00 O ATOM 682 ND2 ASN A 89 14.865 5.972 4.573 1.00 0.00 N ATOM 0 H ASN A 89 14.379 5.596 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 89 14.809 7.226 2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.226 4.277 1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.459 5.159 2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.321 5.982 5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.652 6.611 4.458 1.00 0.00 H new ATOM 689 N GLY A 90 17.470 7.114 1.509 1.00 0.00 N ATOM 690 CA GLY A 90 18.724 7.511 0.880 1.00 0.00 C ATOM 691 C GLY A 90 19.414 6.344 0.193 1.00 0.00 C ATOM 692 O GLY A 90 20.581 6.067 0.460 1.00 0.00 O ATOM 0 H GLY A 90 17.495 7.065 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.530 8.297 0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.389 7.932 1.633 1.00 0.00 H new ATOM 696 N ILE A 91 18.680 5.658 -0.685 1.00 0.00 N ATOM 697 CA ILE A 91 19.202 4.504 -1.412 1.00 0.00 C ATOM 698 C ILE A 91 18.466 4.322 -2.740 1.00 0.00 C ATOM 699 O ILE A 91 17.278 4.624 -2.844 1.00 0.00 O ATOM 700 CB ILE A 91 19.059 3.214 -0.562 1.00 0.00 C ATOM 701 CG1 ILE A 91 20.181 3.123 0.471 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.055 1.967 -1.437 1.00 0.00 C ATOM 703 CD1 ILE A 91 21.563 3.290 -0.119 1.00 0.00 C ATOM 0 H ILE A 91 17.712 5.887 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 91 20.258 4.686 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 91 18.102 3.268 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.025 3.888 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.124 2.157 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.953 1.082 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.219 2.015 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.990 1.911 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.308 3.214 0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.739 2.510 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.639 4.267 -0.596 1.00 0.00 H new ATOM 715 N LYS A 92 19.172 3.822 -3.752 1.00 0.00 N ATOM 716 CA LYS A 92 18.564 3.598 -5.059 1.00 0.00 C ATOM 717 C LYS A 92 18.971 2.242 -5.644 1.00 0.00 C ATOM 718 O LYS A 92 19.562 2.161 -6.725 1.00 0.00 O ATOM 719 CB LYS A 92 18.920 4.740 -6.022 1.00 0.00 C ATOM 720 CG LYS A 92 18.117 4.737 -7.320 1.00 0.00 C ATOM 721 CD LYS A 92 16.668 4.312 -7.107 1.00 0.00 C ATOM 722 CE LYS A 92 16.440 2.870 -7.541 1.00 0.00 C ATOM 723 NZ LYS A 92 14.992 2.518 -7.558 1.00 0.00 N ATOM 0 H LYS A 92 20.158 3.566 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 92 17.482 3.584 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.764 5.691 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 92 19.981 4.679 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 92 18.139 5.734 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.589 4.063 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.406 4.422 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.008 4.971 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.862 2.719 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.969 2.199 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.879 1.529 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.594 2.638 -6.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.491 3.141 -8.223 1.00 0.00 H new ATOM 737 N TYR A 93 18.630 1.176 -4.922 1.00 0.00 N ATOM 738 CA TYR A 93 18.932 -0.188 -5.357 1.00 0.00 C ATOM 739 C TYR A 93 18.261 -1.220 -4.444 1.00 0.00 C ATOM 740 O TYR A 93 17.662 -0.863 -3.430 1.00 0.00 O ATOM 741 CB TYR A 93 20.450 -0.427 -5.408 1.00 0.00 C ATOM 742 CG TYR A 93 21.212 0.013 -4.173 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.780 -0.326 -2.895 1.00 0.00 C ATOM 744 CD2 TYR A 93 22.376 0.760 -4.292 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.487 0.072 -1.775 1.00 0.00 C ATOM 746 CE2 TYR A 93 23.089 1.157 -3.177 1.00 0.00 C ATOM 747 CZ TYR A 93 22.640 0.812 -1.924 1.00 0.00 C ATOM 748 OH TYR A 93 23.354 1.204 -0.816 1.00 0.00 O ATOM 0 H TYR A 93 18.142 1.231 -4.028 1.00 0.00 H new ATOM 0 HA TYR A 93 18.531 -0.309 -6.363 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.630 -1.490 -5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 93 20.856 0.098 -6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.879 -0.909 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.731 1.036 -5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.137 -0.196 -0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.994 1.735 -3.289 1.00 0.00 H new ATOM 0 HH TYR A 93 24.140 1.717 -1.098 1.00 0.00 H new ATOM 758 N ASN A 94 18.376 -2.497 -4.817 1.00 0.00 N ATOM 759 CA ASN A 94 17.792 -3.596 -4.041 1.00 0.00 C ATOM 760 C ASN A 94 16.258 -3.571 -4.079 1.00 0.00 C ATOM 761 O ASN A 94 15.599 -3.359 -3.059 1.00 0.00 O ATOM 762 CB ASN A 94 18.296 -3.550 -2.590 1.00 0.00 C ATOM 763 CG ASN A 94 19.610 -4.286 -2.411 1.00 0.00 C ATOM 764 OD1 ASN A 94 20.498 -4.213 -3.260 1.00 0.00 O ATOM 765 ND2 ASN A 94 19.744 -5.003 -1.306 1.00 0.00 N ATOM 0 H ASN A 94 18.871 -2.797 -5.657 1.00 0.00 H new ATOM 0 HA ASN A 94 18.113 -4.531 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.420 -2.511 -2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.545 -3.988 -1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.607 -5.520 -1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.985 -5.038 -0.626 1.00 0.00 H new ATOM 772 N THR A 95 15.690 -3.814 -5.260 1.00 0.00 N ATOM 773 CA THR A 95 14.234 -3.839 -5.422 1.00 0.00 C ATOM 774 C THR A 95 13.686 -5.240 -5.151 1.00 0.00 C ATOM 775 O THR A 95 12.947 -5.800 -5.963 1.00 0.00 O ATOM 776 CB THR A 95 13.835 -3.378 -6.832 1.00 0.00 C ATOM 777 OG1 THR A 95 14.307 -4.287 -7.813 1.00 0.00 O ATOM 778 CG2 THR A 95 14.367 -2.008 -7.191 1.00 0.00 C ATOM 0 H THR A 95 16.213 -3.996 -6.117 1.00 0.00 H new ATOM 0 HA THR A 95 13.802 -3.149 -4.697 1.00 0.00 H new ATOM 0 HB THR A 95 12.746 -3.337 -6.819 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.951 -5.181 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.047 -1.746 -8.200 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.982 -1.272 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 95 15.456 -2.018 -7.147 1.00 0.00 H new ATOM 786 N THR A 96 14.062 -5.804 -4.002 1.00 0.00 N ATOM 787 CA THR A 96 13.618 -7.148 -3.613 1.00 0.00 C ATOM 788 C THR A 96 12.703 -7.099 -2.388 1.00 0.00 C ATOM 789 O THR A 96 12.454 -6.026 -1.832 1.00 0.00 O ATOM 790 CB THR A 96 14.821 -8.055 -3.331 1.00 0.00 C ATOM 791 OG1 THR A 96 14.390 -9.373 -3.038 1.00 0.00 O ATOM 792 CG2 THR A 96 15.674 -7.588 -2.170 1.00 0.00 C ATOM 0 H THR A 96 14.674 -5.352 -3.322 1.00 0.00 H new ATOM 0 HA THR A 96 13.051 -7.561 -4.447 1.00 0.00 H new ATOM 0 HB THR A 96 15.425 -8.021 -4.238 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.786 -9.684 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.506 -8.278 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.061 -6.591 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.070 -7.558 -1.263 1.00 0.00 H new ATOM 800 N ARG A 97 12.203 -8.268 -1.978 1.00 0.00 N ATOM 801 CA ARG A 97 11.302 -8.373 -0.823 1.00 0.00 C ATOM 802 C ARG A 97 9.986 -7.635 -1.092 1.00 0.00 C ATOM 803 O ARG A 97 9.866 -6.897 -2.071 1.00 0.00 O ATOM 804 CB ARG A 97 11.971 -7.819 0.444 1.00 0.00 C ATOM 805 CG ARG A 97 13.429 -8.230 0.604 1.00 0.00 C ATOM 806 CD ARG A 97 14.239 -7.125 1.263 1.00 0.00 C ATOM 807 NE ARG A 97 15.542 -7.598 1.732 1.00 0.00 N ATOM 808 CZ ARG A 97 15.723 -8.407 2.766 1.00 0.00 C ATOM 809 NH1 ARG A 97 14.701 -8.792 3.506 1.00 0.00 N ATOM 810 NH2 ARG A 97 16.940 -8.798 3.073 1.00 0.00 N ATOM 0 H ARG A 97 12.407 -9.159 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 97 11.082 -9.429 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.910 -6.731 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.411 -8.157 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.491 -9.138 1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.854 -8.464 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.384 -6.311 0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.678 -6.718 2.104 1.00 0.00 H new ATOM 0 HE ARG A 97 16.370 -7.282 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.760 -8.467 3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.852 -9.415 4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.734 -8.479 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.091 -9.421 3.867 1.00 0.00 H new ATOM 824 N ASN A 98 8.990 -7.844 -0.234 1.00 0.00 N ATOM 825 CA ASN A 98 7.695 -7.193 -0.419 1.00 0.00 C ATOM 826 C ASN A 98 7.086 -6.721 0.904 1.00 0.00 C ATOM 827 O ASN A 98 7.407 -7.236 1.976 1.00 0.00 O ATOM 828 CB ASN A 98 6.715 -8.140 -1.121 1.00 0.00 C ATOM 829 CG ASN A 98 7.026 -8.339 -2.593 1.00 0.00 C ATOM 830 OD1 ASN A 98 6.387 -7.745 -3.457 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.998 -9.186 -2.893 1.00 0.00 N ATOM 0 H ASN A 98 9.052 -8.450 0.584 1.00 0.00 H new ATOM 0 HA ASN A 98 7.871 -6.314 -1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.732 -9.107 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.704 -7.746 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.237 -9.363 -3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.508 -9.662 -2.149 1.00 0.00 H new ATOM 838 N ALA A 99 6.185 -5.749 0.802 1.00 0.00 N ATOM 839 CA ALA A 99 5.484 -5.197 1.964 1.00 0.00 C ATOM 840 C ALA A 99 3.995 -5.545 1.897 1.00 0.00 C ATOM 841 O ALA A 99 3.290 -5.116 0.982 1.00 0.00 O ATOM 842 CB ALA A 99 5.685 -3.690 2.037 1.00 0.00 C ATOM 0 H ALA A 99 5.918 -5.320 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 99 5.900 -5.640 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.158 -3.294 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.749 -3.469 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.292 -3.226 1.132 1.00 0.00 H new ATOM 848 N TYR A 100 3.536 -6.361 2.846 1.00 0.00 N ATOM 849 CA TYR A 100 2.140 -6.803 2.870 1.00 0.00 C ATOM 850 C TYR A 100 1.201 -5.777 3.509 1.00 0.00 C ATOM 851 O TYR A 100 1.276 -5.504 4.709 1.00 0.00 O ATOM 852 CB TYR A 100 2.002 -8.137 3.618 1.00 0.00 C ATOM 853 CG TYR A 100 2.953 -9.239 3.180 1.00 0.00 C ATOM 854 CD1 TYR A 100 3.745 -9.116 2.043 1.00 0.00 C ATOM 855 CD2 TYR A 100 3.049 -10.413 3.916 1.00 0.00 C ATOM 856 CE1 TYR A 100 4.597 -10.133 1.653 1.00 0.00 C ATOM 857 CE2 TYR A 100 3.900 -11.431 3.532 1.00 0.00 C ATOM 858 CZ TYR A 100 4.670 -11.286 2.401 1.00 0.00 C ATOM 859 OH TYR A 100 5.513 -12.303 2.016 1.00 0.00 O ATOM 0 H TYR A 100 4.108 -6.729 3.606 1.00 0.00 H new ATOM 0 HA TYR A 100 1.847 -6.924 1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.153 -7.953 4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.980 -8.496 3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.694 -8.211 1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.447 -10.532 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.202 -10.023 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.961 -12.337 4.117 1.00 0.00 H new ATOM 0 HH TYR A 100 5.444 -13.044 2.654 1.00 0.00 H new ATOM 869 N ARG A 101 0.287 -5.249 2.705 1.00 0.00 N ATOM 870 CA ARG A 101 -0.711 -4.296 3.172 1.00 0.00 C ATOM 871 C ARG A 101 -2.084 -4.984 3.149 1.00 0.00 C ATOM 872 O ARG A 101 -2.615 -5.285 2.079 1.00 0.00 O ATOM 873 CB ARG A 101 -0.708 -3.043 2.284 1.00 0.00 C ATOM 874 CG ARG A 101 -0.243 -1.780 2.999 1.00 0.00 C ATOM 875 CD ARG A 101 -1.412 -1.044 3.639 1.00 0.00 C ATOM 876 NE ARG A 101 -0.979 -0.037 4.620 1.00 0.00 N ATOM 877 CZ ARG A 101 -0.302 -0.303 5.733 1.00 0.00 C ATOM 878 NH1 ARG A 101 0.046 -1.537 6.032 1.00 0.00 N ATOM 879 NH2 ARG A 101 0.014 0.675 6.559 1.00 0.00 N ATOM 0 H ARG A 101 0.217 -5.469 1.712 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.481 -3.978 4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.062 -3.221 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.714 -2.881 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.488 -2.041 3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.259 -1.122 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.000 -0.558 2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.066 -1.765 4.129 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.216 0.937 4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.204 -2.303 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.565 -1.727 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.261 1.633 6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.533 0.473 7.413 1.00 0.00 H new ATOM 893 N GLU A 102 -2.635 -5.284 4.324 1.00 0.00 N ATOM 894 CA GLU A 102 -3.914 -5.991 4.409 1.00 0.00 C ATOM 895 C GLU A 102 -5.113 -5.051 4.497 1.00 0.00 C ATOM 896 O GLU A 102 -5.029 -3.959 5.060 1.00 0.00 O ATOM 897 CB GLU A 102 -3.909 -6.936 5.614 1.00 0.00 C ATOM 898 CG GLU A 102 -5.139 -7.833 5.697 1.00 0.00 C ATOM 899 CD GLU A 102 -5.060 -8.851 6.819 1.00 0.00 C ATOM 900 OE1 GLU A 102 -4.721 -8.460 7.956 1.00 0.00 O ATOM 901 OE2 GLU A 102 -5.339 -10.039 6.564 1.00 0.00 O ATOM 0 H GLU A 102 -2.220 -5.051 5.226 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.021 -6.558 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.017 -7.561 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.839 -6.345 6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.024 -7.213 5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.265 -8.356 4.749 1.00 0.00 H new ATOM 908 N CYS A 103 -6.237 -5.506 3.943 1.00 0.00 N ATOM 909 CA CYS A 103 -7.480 -4.743 3.965 1.00 0.00 C ATOM 910 C CYS A 103 -8.532 -5.483 4.787 1.00 0.00 C ATOM 911 O CYS A 103 -8.957 -6.587 4.436 1.00 0.00 O ATOM 912 CB CYS A 103 -7.992 -4.486 2.547 1.00 0.00 C ATOM 913 SG CYS A 103 -9.038 -3.000 2.408 1.00 0.00 S ATOM 0 H CYS A 103 -6.309 -6.407 3.470 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.282 -3.777 4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.140 -4.385 1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.561 -5.353 2.212 1.00 0.00 H new ATOM 918 N LEU A 104 -8.928 -4.856 5.889 1.00 0.00 N ATOM 919 CA LEU A 104 -9.915 -5.412 6.813 1.00 0.00 C ATOM 920 C LEU A 104 -11.181 -5.879 6.102 1.00 0.00 C ATOM 921 O LEU A 104 -11.623 -5.272 5.121 1.00 0.00 O ATOM 922 CB LEU A 104 -10.272 -4.365 7.869 1.00 0.00 C ATOM 923 CG LEU A 104 -9.317 -4.291 9.063 1.00 0.00 C ATOM 924 CD1 LEU A 104 -8.110 -3.426 8.730 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.037 -3.752 10.288 1.00 0.00 C ATOM 0 H LEU A 104 -8.572 -3.942 6.170 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.467 -6.287 7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.306 -3.386 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.276 -4.574 8.239 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.966 -5.299 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.443 -3.385 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.579 -3.854 7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.442 -2.418 8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.343 -3.706 11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.417 -2.752 10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.868 -4.410 10.540 1.00 0.00 H new ATOM 937 N GLU A 105 -11.772 -6.953 6.628 1.00 0.00 N ATOM 938 CA GLU A 105 -13.012 -7.507 6.079 1.00 0.00 C ATOM 939 C GLU A 105 -14.090 -6.423 5.966 1.00 0.00 C ATOM 940 O GLU A 105 -15.013 -6.537 5.161 1.00 0.00 O ATOM 941 CB GLU A 105 -13.517 -8.668 6.949 1.00 0.00 C ATOM 942 CG GLU A 105 -13.532 -8.371 8.446 1.00 0.00 C ATOM 943 CD GLU A 105 -14.837 -7.761 8.917 1.00 0.00 C ATOM 944 OE1 GLU A 105 -15.868 -8.463 8.886 1.00 0.00 O ATOM 945 OE2 GLU A 105 -14.825 -6.579 9.317 1.00 0.00 O ATOM 0 H GLU A 105 -11.411 -7.459 7.437 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.798 -7.887 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.526 -8.931 6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.889 -9.541 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.350 -9.295 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.713 -7.692 8.684 1.00 0.00 H new ATOM 952 N ASN A 106 -13.956 -5.366 6.771 1.00 0.00 N ATOM 953 CA ASN A 106 -14.910 -4.256 6.751 1.00 0.00 C ATOM 954 C ASN A 106 -14.625 -3.282 5.594 1.00 0.00 C ATOM 955 O ASN A 106 -15.460 -2.435 5.277 1.00 0.00 O ATOM 956 CB ASN A 106 -14.875 -3.508 8.093 1.00 0.00 C ATOM 957 CG ASN A 106 -16.221 -3.500 8.794 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.920 -2.490 8.806 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.589 -4.624 9.390 1.00 0.00 N ATOM 0 H ASN A 106 -13.197 -5.256 7.444 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.904 -4.674 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.134 -3.972 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.552 -2.481 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.481 -4.672 9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.980 -5.442 9.357 1.00 0.00 H new ATOM 966 N GLY A 107 -13.450 -3.411 4.958 1.00 0.00 N ATOM 967 CA GLY A 107 -13.097 -2.535 3.841 1.00 0.00 C ATOM 968 C GLY A 107 -12.046 -1.483 4.187 1.00 0.00 C ATOM 969 O GLY A 107 -11.777 -0.587 3.383 1.00 0.00 O ATOM 0 H GLY A 107 -12.741 -4.104 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.728 -3.145 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.997 -2.032 3.488 1.00 0.00 H new ATOM 973 N THR A 108 -11.448 -1.582 5.375 1.00 0.00 N ATOM 974 CA THR A 108 -10.427 -0.622 5.807 1.00 0.00 C ATOM 975 C THR A 108 -9.015 -1.176 5.604 1.00 0.00 C ATOM 976 O THR A 108 -8.818 -2.384 5.474 1.00 0.00 O ATOM 977 CB THR A 108 -10.636 -0.247 7.275 1.00 0.00 C ATOM 978 OG1 THR A 108 -10.670 -1.402 8.089 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.916 0.516 7.521 1.00 0.00 C ATOM 0 H THR A 108 -11.651 -2.315 6.055 1.00 0.00 H new ATOM 0 HA THR A 108 -10.531 0.271 5.191 1.00 0.00 H new ATOM 0 HB THR A 108 -9.791 0.393 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.362 -1.298 8.775 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.002 0.750 8.582 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.905 1.441 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.767 -0.092 7.214 1.00 0.00 H new ATOM 987 N TRP A 109 -8.031 -0.280 5.577 1.00 0.00 N ATOM 988 CA TRP A 109 -6.633 -0.674 5.384 1.00 0.00 C ATOM 989 C TRP A 109 -5.941 -1.000 6.709 1.00 0.00 C ATOM 990 O TRP A 109 -6.015 -0.224 7.662 1.00 0.00 O ATOM 991 CB TRP A 109 -5.876 0.446 4.671 1.00 0.00 C ATOM 992 CG TRP A 109 -6.052 0.425 3.188 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.656 1.374 2.418 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.618 -0.603 2.294 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.616 1.001 1.097 1.00 0.00 N ATOM 996 CE2 TRP A 109 -5.988 -0.208 0.998 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.950 -1.819 2.465 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.710 -0.982 -0.121 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.676 -2.587 1.351 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.057 -2.162 0.073 1.00 0.00 C ATOM 0 H TRP A 109 -8.173 0.724 5.686 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.626 -1.578 4.775 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.215 1.407 5.057 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.815 0.365 4.905 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.100 2.285 2.792 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.994 1.539 0.317 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.654 -2.151 3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.001 -0.660 -1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.160 -3.529 1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.828 -2.784 -0.780 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.250 -2.144 6.756 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.531 -2.557 7.958 1.00 0.00 C ATOM 1013 C ALA A 110 -3.146 -1.903 8.011 1.00 0.00 C ATOM 1014 O ALA A 110 -2.705 -1.286 7.039 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.419 -4.076 8.010 1.00 0.00 C ATOM 0 H ALA A 110 -5.176 -2.797 5.976 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.092 -2.225 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.881 -4.371 8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.417 -4.514 8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.879 -4.431 7.132 1.00 0.00 H new ATOM 1021 N SER A 111 -2.462 -2.043 9.144 1.00 0.00 N ATOM 1022 CA SER A 111 -1.131 -1.459 9.312 1.00 0.00 C ATOM 1023 C SER A 111 -0.048 -2.538 9.366 1.00 0.00 C ATOM 1024 O SER A 111 0.802 -2.539 10.255 1.00 0.00 O ATOM 1025 CB SER A 111 -1.083 -0.588 10.572 1.00 0.00 C ATOM 1026 OG SER A 111 -0.555 0.695 10.275 1.00 0.00 O ATOM 0 H SER A 111 -2.805 -2.554 9.958 1.00 0.00 H new ATOM 0 HA SER A 111 -0.932 -0.832 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.085 -0.487 10.989 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.469 -1.072 11.332 1.00 0.00 H new ATOM 0 HG SER A 111 -0.534 1.237 11.091 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.091 -3.457 8.401 1.00 0.00 N ATOM 1033 CA ARG A 112 0.888 -4.546 8.327 1.00 0.00 C ATOM 1034 C ARG A 112 2.240 -4.051 7.794 1.00 0.00 C ATOM 1035 O ARG A 112 3.090 -3.636 8.574 1.00 0.00 O ATOM 1036 CB ARG A 112 0.348 -5.697 7.467 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.272 -6.823 8.275 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.607 -6.412 8.874 1.00 0.00 C ATOM 1039 NE ARG A 112 -2.515 -7.554 8.997 1.00 0.00 N ATOM 1040 CZ ARG A 112 -2.352 -8.556 9.846 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.348 -8.560 10.704 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -3.213 -9.550 9.837 1.00 0.00 N ATOM 0 H ARG A 112 -0.792 -3.471 7.660 1.00 0.00 H new ATOM 0 HA ARG A 112 1.052 -4.918 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.398 -5.304 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.161 -6.100 6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.412 -7.695 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.410 -7.118 9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.445 -5.968 9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.067 -5.646 8.249 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.331 -7.579 8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.686 -7.784 10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.235 -9.339 11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.994 -9.542 9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.100 -10.329 10.486 1.00 0.00 H new ATOM 1056 N VAL A 113 2.425 -4.112 6.467 1.00 0.00 N ATOM 1057 CA VAL A 113 3.669 -3.689 5.794 1.00 0.00 C ATOM 1058 C VAL A 113 4.924 -4.139 6.543 1.00 0.00 C ATOM 1059 O VAL A 113 5.363 -3.515 7.510 1.00 0.00 O ATOM 1060 CB VAL A 113 3.716 -2.173 5.529 1.00 0.00 C ATOM 1061 CG1 VAL A 113 3.433 -1.369 6.788 1.00 0.00 C ATOM 1062 CG2 VAL A 113 5.051 -1.764 4.920 1.00 0.00 C ATOM 0 H VAL A 113 1.713 -4.458 5.824 1.00 0.00 H new ATOM 0 HA VAL A 113 3.658 -4.193 4.828 1.00 0.00 H new ATOM 0 HB VAL A 113 2.927 -1.949 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.476 -0.305 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.441 -1.619 7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.179 -1.606 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.056 -0.688 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.858 -2.023 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.195 -2.287 3.975 1.00 0.00 H new ATOM 1072 N ASN A 114 5.496 -5.235 6.068 1.00 0.00 N ATOM 1073 CA ASN A 114 6.696 -5.823 6.652 1.00 0.00 C ATOM 1074 C ASN A 114 7.750 -4.767 7.013 1.00 0.00 C ATOM 1075 O ASN A 114 8.010 -4.529 8.193 1.00 0.00 O ATOM 1076 CB ASN A 114 7.286 -6.864 5.689 1.00 0.00 C ATOM 1077 CG ASN A 114 6.233 -7.768 5.074 1.00 0.00 C ATOM 1078 OD1 ASN A 114 5.299 -7.296 4.428 1.00 0.00 O ATOM 1079 ND2 ASN A 114 6.376 -9.071 5.267 1.00 0.00 N ATOM 0 H ASN A 114 5.139 -5.746 5.261 1.00 0.00 H new ATOM 0 HA ASN A 114 6.405 -6.309 7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.825 -6.350 4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.013 -7.475 6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 114 5.697 -9.722 4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.165 -9.423 5.809 1.00 0.00 H new ATOM 1086 N TYR A 115 8.352 -4.148 5.994 1.00 0.00 N ATOM 1087 CA TYR A 115 9.384 -3.116 6.180 1.00 0.00 C ATOM 1088 C TYR A 115 10.623 -3.654 6.905 1.00 0.00 C ATOM 1089 O TYR A 115 11.731 -3.579 6.379 1.00 0.00 O ATOM 1090 CB TYR A 115 8.817 -1.899 6.917 1.00 0.00 C ATOM 1091 CG TYR A 115 8.965 -0.623 6.123 1.00 0.00 C ATOM 1092 CD1 TYR A 115 8.102 -0.336 5.076 1.00 0.00 C ATOM 1093 CD2 TYR A 115 9.979 0.284 6.405 1.00 0.00 C ATOM 1094 CE1 TYR A 115 8.242 0.817 4.330 1.00 0.00 C ATOM 1095 CE2 TYR A 115 10.123 1.443 5.667 1.00 0.00 C ATOM 1096 CZ TYR A 115 9.254 1.704 4.630 1.00 0.00 C ATOM 1097 OH TYR A 115 9.402 2.853 3.889 1.00 0.00 O ATOM 0 H TYR A 115 8.140 -4.346 5.016 1.00 0.00 H new ATOM 0 HA TYR A 115 9.701 -2.806 5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.762 -2.068 7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 115 9.326 -1.789 7.875 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.306 -1.027 4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 115 10.665 0.080 7.214 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.563 1.023 3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.913 2.141 5.902 1.00 0.00 H new ATOM 0 HH TYR A 115 10.162 3.368 4.232 1.00 0.00 H new ATOM 1107 N SER A 116 10.431 -4.204 8.106 1.00 0.00 N ATOM 1108 CA SER A 116 11.536 -4.767 8.891 1.00 0.00 C ATOM 1109 C SER A 116 12.402 -5.681 8.024 1.00 0.00 C ATOM 1110 O SER A 116 13.629 -5.669 8.121 1.00 0.00 O ATOM 1111 CB SER A 116 10.996 -5.543 10.095 1.00 0.00 C ATOM 1112 OG SER A 116 11.977 -5.646 11.115 1.00 0.00 O ATOM 0 H SER A 116 9.519 -4.272 8.558 1.00 0.00 H new ATOM 0 HA SER A 116 12.152 -3.943 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.110 -5.043 10.487 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.687 -6.540 9.781 1.00 0.00 H new ATOM 0 HG SER A 116 11.608 -6.144 11.874 1.00 0.00 H new ATOM 1118 N HIS A 117 11.753 -6.459 7.158 1.00 0.00 N ATOM 1119 CA HIS A 117 12.462 -7.366 6.256 1.00 0.00 C ATOM 1120 C HIS A 117 12.660 -6.727 4.873 1.00 0.00 C ATOM 1121 O HIS A 117 12.648 -7.418 3.850 1.00 0.00 O ATOM 1122 CB HIS A 117 11.699 -8.689 6.134 1.00 0.00 C ATOM 1123 CG HIS A 117 11.688 -9.496 7.396 1.00 0.00 C ATOM 1124 ND1 HIS A 117 12.453 -9.184 8.501 1.00 0.00 N ATOM 1125 CD2 HIS A 117 10.995 -10.611 7.724 1.00 0.00 C ATOM 1126 CE1 HIS A 117 12.232 -10.075 9.452 1.00 0.00 C ATOM 1127 NE2 HIS A 117 11.350 -10.951 9.007 1.00 0.00 N ATOM 0 H HIS A 117 10.738 -6.479 7.062 1.00 0.00 H new ATOM 0 HA HIS A 117 13.448 -7.565 6.675 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.671 -8.479 5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.145 -9.284 5.337 1.00 0.00 H new ATOM 0 HD2 HIS A 117 10.293 -11.136 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 117 12.695 -10.085 10.428 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.991 -11.750 9.530 1.00 0.00 H new ATOM 1136 N CYS A 118 12.850 -5.404 4.855 1.00 0.00 N ATOM 1137 CA CYS A 118 13.060 -4.655 3.616 1.00 0.00 C ATOM 1138 C CYS A 118 14.303 -3.776 3.730 1.00 0.00 C ATOM 1139 O CYS A 118 14.301 -2.781 4.458 1.00 0.00 O ATOM 1140 CB CYS A 118 11.837 -3.787 3.302 1.00 0.00 C ATOM 1141 SG CYS A 118 11.906 -2.950 1.684 1.00 0.00 S ATOM 0 H CYS A 118 12.862 -4.826 5.695 1.00 0.00 H new ATOM 0 HA CYS A 118 13.204 -5.368 2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.944 -4.411 3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.730 -3.034 4.083 1.00 0.00 H new ATOM 1146 N GLU A 119 15.366 -4.152 3.015 1.00 0.00 N ATOM 1147 CA GLU A 119 16.621 -3.395 3.042 1.00 0.00 C ATOM 1148 C GLU A 119 16.384 -1.924 2.677 1.00 0.00 C ATOM 1149 O GLU A 119 15.424 -1.601 1.977 1.00 0.00 O ATOM 1150 CB GLU A 119 17.640 -4.023 2.084 1.00 0.00 C ATOM 1151 CG GLU A 119 18.424 -5.176 2.702 1.00 0.00 C ATOM 1152 CD GLU A 119 18.858 -6.209 1.682 1.00 0.00 C ATOM 1153 OE1 GLU A 119 18.011 -7.033 1.274 1.00 0.00 O ATOM 1154 OE2 GLU A 119 20.042 -6.196 1.293 1.00 0.00 O ATOM 0 H GLU A 119 15.384 -4.974 2.411 1.00 0.00 H new ATOM 0 HA GLU A 119 17.019 -3.433 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.119 -4.382 1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.339 -3.254 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.305 -4.780 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.810 -5.659 3.462 1.00 0.00 H new