USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 436 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 464 CYS SG : rot 120:sc= -1.49! USER MOD Set 1.2: A 467 CYS SG : rot 72:sc= 0.846 USER MOD Set 1.3: A 475 CYS SG : rot 127:sc= -1.84! USER MOD Set 1.4: A 479 HIS : no HD1:sc= -3.1! C(o=-5.6!,f=-9.1!) USER MOD Set 2.1: A 436 CYS SG : rot 142:sc= -1.34! USER MOD Set 2.2: A 439 CYS SG : rot -43:sc= -0.158! USER MOD Set 2.3: A 441 THR OG1 : rot -86:sc= 1.08 USER MOD Set 2.4: A 454 CYS SG : rot -164:sc= -0.25 USER MOD Set 2.5: A 459 CYS SG : rot 156:sc= 1.29 USER MOD Set 3.1: A 434 LYS NZ :NH3+ 162:sc= -0.337 (180deg=-1.61!) USER MOD Set 3.2: A 468 GLN : amide:sc= 0.309 K(o=-0.028,f=-8.4!) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.58) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.747) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 76:sc= 0.466 USER MOD Single : A 450 MET CE :methyl -162:sc= -0.0479 (180deg=-0.443) USER MOD Single : A 451 HIS : no HE2:sc= -0.141 K(o=-0.14,f=-2.9!) USER MOD Single : A 452 MET CE :methyl 148:sc= -3.23 (180deg=-6.35!) USER MOD Single : A 455 THR OG1 : rot 7:sc= 1.05 USER MOD Single : A 469 THR OG1 : rot 73:sc= 0.202 USER MOD Single : A 472 THR OG1 : rot -39:sc= 0.521 USER MOD Single : A 476 MET CE :methyl -174:sc= -0.338 (180deg=-0.465) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 418 15.655 0.372 -6.676 1.00 0.00 N ATOM 32 CA GLU A 418 16.376 -0.851 -6.977 1.00 0.00 C ATOM 33 C GLU A 418 16.555 -1.017 -8.474 1.00 0.00 C ATOM 34 O GLU A 418 15.601 -0.885 -9.243 1.00 0.00 O ATOM 35 CB GLU A 418 15.651 -2.065 -6.398 1.00 0.00 C ATOM 36 CG GLU A 418 15.679 -2.133 -4.884 1.00 0.00 C ATOM 37 CD GLU A 418 17.089 -2.204 -4.332 1.00 0.00 C ATOM 38 OE1 GLU A 418 17.708 -3.295 -4.399 1.00 0.00 O ATOM 39 OE2 GLU A 418 17.585 -1.178 -3.817 1.00 0.00 O ATOM 0 HA GLU A 418 17.361 -0.780 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 418 14.614 -2.050 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 418 16.102 -2.972 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 418 15.176 -1.257 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 418 15.118 -3.007 -4.552 1.00 0.00 H new ATOM 46 N ALA A 419 17.778 -1.297 -8.883 1.00 0.00 N ATOM 47 CA ALA A 419 18.094 -1.495 -10.287 1.00 0.00 C ATOM 48 C ALA A 419 18.022 -2.972 -10.646 1.00 0.00 C ATOM 49 O ALA A 419 17.588 -3.794 -9.839 1.00 0.00 O ATOM 50 CB ALA A 419 19.478 -0.947 -10.593 1.00 0.00 C ATOM 0 H ALA A 419 18.577 -1.393 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 419 17.361 -0.957 -10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 419 19.705 -1.100 -11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 419 19.505 0.119 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 419 20.218 -1.466 -9.983 1.00 0.00 H new ATOM 56 N ARG A 420 18.436 -3.306 -11.856 1.00 0.00 N ATOM 57 CA ARG A 420 18.444 -4.689 -12.294 1.00 0.00 C ATOM 58 C ARG A 420 19.679 -5.394 -11.749 1.00 0.00 C ATOM 59 O ARG A 420 19.577 -6.387 -11.025 1.00 0.00 O ATOM 60 CB ARG A 420 18.435 -4.767 -13.821 1.00 0.00 C ATOM 61 CG ARG A 420 18.378 -6.184 -14.372 1.00 0.00 C ATOM 62 CD ARG A 420 18.537 -6.191 -15.881 1.00 0.00 C ATOM 63 NE ARG A 420 19.848 -5.681 -16.294 1.00 0.00 N ATOM 64 CZ ARG A 420 20.039 -4.775 -17.258 1.00 0.00 C ATOM 65 NH1 ARG A 420 18.998 -4.283 -17.928 1.00 0.00 N ATOM 66 NH2 ARG A 420 21.267 -4.362 -17.552 1.00 0.00 N ATOM 0 H ARG A 420 18.770 -2.639 -12.551 1.00 0.00 H new ATOM 0 HA ARG A 420 17.549 -5.181 -11.914 1.00 0.00 H new ATOM 0 HB2 ARG A 420 17.578 -4.208 -14.197 1.00 0.00 H new ATOM 0 HB3 ARG A 420 19.329 -4.276 -14.204 1.00 0.00 H new ATOM 0 HG2 ARG A 420 19.165 -6.786 -13.918 1.00 0.00 H new ATOM 0 HG3 ARG A 420 17.428 -6.645 -14.101 1.00 0.00 H new ATOM 0 HD2 ARG A 420 18.408 -7.207 -16.255 1.00 0.00 H new ATOM 0 HD3 ARG A 420 17.752 -5.583 -16.332 1.00 0.00 H new ATOM 0 HE ARG A 420 20.671 -6.043 -15.812 1.00 0.00 H new ATOM 0 HH11 ARG A 420 18.054 -4.598 -17.706 1.00 0.00 H new ATOM 0 HH12 ARG A 420 19.145 -3.592 -18.663 1.00 0.00 H new ATOM 0 HH21 ARG A 420 22.067 -4.736 -17.042 1.00 0.00 H new ATOM 0 HH22 ARG A 420 21.410 -3.671 -18.288 1.00 0.00 H new ATOM 80 N TRP A 421 20.835 -4.854 -12.086 1.00 0.00 N ATOM 81 CA TRP A 421 22.104 -5.401 -11.656 1.00 0.00 C ATOM 82 C TRP A 421 23.187 -4.350 -11.878 1.00 0.00 C ATOM 83 O TRP A 421 22.902 -3.262 -12.390 1.00 0.00 O ATOM 84 CB TRP A 421 22.417 -6.686 -12.440 1.00 0.00 C ATOM 85 CG TRP A 421 23.411 -7.589 -11.769 1.00 0.00 C ATOM 86 CD1 TRP A 421 23.217 -8.327 -10.639 1.00 0.00 C ATOM 87 CD2 TRP A 421 24.750 -7.854 -12.196 1.00 0.00 C ATOM 88 NE1 TRP A 421 24.355 -9.032 -10.335 1.00 0.00 N ATOM 89 CE2 TRP A 421 25.311 -8.760 -11.276 1.00 0.00 C ATOM 90 CE3 TRP A 421 25.525 -7.416 -13.263 1.00 0.00 C ATOM 91 CZ2 TRP A 421 26.613 -9.233 -11.396 1.00 0.00 C ATOM 92 CZ3 TRP A 421 26.820 -7.883 -13.385 1.00 0.00 C ATOM 93 CH2 TRP A 421 27.353 -8.784 -12.457 1.00 0.00 C ATOM 0 H TRP A 421 20.919 -4.020 -12.668 1.00 0.00 H new ATOM 0 HA TRP A 421 22.063 -5.658 -10.597 1.00 0.00 H new ATOM 0 HB2 TRP A 421 21.490 -7.237 -12.597 1.00 0.00 H new ATOM 0 HB3 TRP A 421 22.797 -6.414 -13.425 1.00 0.00 H new ATOM 0 HD1 TRP A 421 22.302 -8.353 -10.067 1.00 0.00 H new ATOM 0 HE1 TRP A 421 24.470 -9.657 -9.537 1.00 0.00 H new ATOM 0 HE3 TRP A 421 25.122 -6.722 -13.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 27.025 -9.928 -10.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 27.430 -7.547 -14.210 1.00 0.00 H new ATOM 0 HH2 TRP A 421 28.368 -9.132 -12.580 1.00 0.00 H new ATOM 104 N ASP A 422 24.410 -4.660 -11.493 1.00 0.00 N ATOM 105 CA ASP A 422 25.513 -3.727 -11.663 1.00 0.00 C ATOM 106 C ASP A 422 25.962 -3.717 -13.125 1.00 0.00 C ATOM 107 O ASP A 422 25.346 -4.362 -13.977 1.00 0.00 O ATOM 108 CB ASP A 422 26.682 -4.110 -10.747 1.00 0.00 C ATOM 109 CG ASP A 422 27.541 -2.918 -10.358 1.00 0.00 C ATOM 110 OD1 ASP A 422 28.484 -2.572 -11.104 1.00 0.00 O ATOM 111 OD2 ASP A 422 27.276 -2.316 -9.296 1.00 0.00 O ATOM 0 H ASP A 422 24.667 -5.548 -11.061 1.00 0.00 H new ATOM 0 HA ASP A 422 25.177 -2.727 -11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 422 26.291 -4.580 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 422 27.303 -4.851 -11.249 1.00 0.00 H new ATOM 116 N GLU A 423 27.018 -3.001 -13.417 1.00 0.00 N ATOM 117 CA GLU A 423 27.510 -2.912 -14.772 1.00 0.00 C ATOM 118 C GLU A 423 28.373 -4.113 -15.117 1.00 0.00 C ATOM 119 O GLU A 423 29.170 -4.575 -14.298 1.00 0.00 O ATOM 120 CB GLU A 423 28.286 -1.614 -14.977 1.00 0.00 C ATOM 121 CG GLU A 423 27.403 -0.380 -14.986 1.00 0.00 C ATOM 122 CD GLU A 423 26.332 -0.460 -16.052 1.00 0.00 C ATOM 123 OE1 GLU A 423 26.664 -0.322 -17.249 1.00 0.00 O ATOM 124 OE2 GLU A 423 25.150 -0.669 -15.701 1.00 0.00 O ATOM 0 H GLU A 423 27.556 -2.469 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 423 26.652 -2.910 -15.444 1.00 0.00 H new ATOM 0 HB2 GLU A 423 29.029 -1.514 -14.186 1.00 0.00 H new ATOM 0 HB3 GLU A 423 28.830 -1.669 -15.920 1.00 0.00 H new ATOM 0 HG2 GLU A 423 26.935 -0.262 -14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 423 28.017 0.505 -15.154 1.00 0.00 H new ATOM 131 N ALA A 424 28.205 -4.621 -16.326 1.00 0.00 N ATOM 132 CA ALA A 424 28.961 -5.769 -16.777 1.00 0.00 C ATOM 133 C ALA A 424 30.310 -5.340 -17.340 1.00 0.00 C ATOM 134 O ALA A 424 30.518 -5.314 -18.558 1.00 0.00 O ATOM 135 CB ALA A 424 28.169 -6.564 -17.809 1.00 0.00 C ATOM 0 H ALA A 424 27.548 -4.252 -17.013 1.00 0.00 H new ATOM 0 HA ALA A 424 29.144 -6.416 -15.919 1.00 0.00 H new ATOM 0 HB1 ALA A 424 28.756 -7.423 -18.135 1.00 0.00 H new ATOM 0 HB2 ALA A 424 27.236 -6.910 -17.364 1.00 0.00 H new ATOM 0 HB3 ALA A 424 27.949 -5.929 -18.667 1.00 0.00 H new ATOM 141 N SER A 425 31.206 -4.963 -16.451 1.00 0.00 N ATOM 142 CA SER A 425 32.537 -4.547 -16.832 1.00 0.00 C ATOM 143 C SER A 425 33.504 -5.717 -16.678 1.00 0.00 C ATOM 144 O SER A 425 33.312 -6.578 -15.812 1.00 0.00 O ATOM 145 CB SER A 425 32.983 -3.372 -15.959 1.00 0.00 C ATOM 146 OG SER A 425 32.019 -2.322 -15.980 1.00 0.00 O ATOM 0 H SER A 425 31.031 -4.937 -15.446 1.00 0.00 H new ATOM 0 HA SER A 425 32.532 -4.227 -17.874 1.00 0.00 H new ATOM 0 HB2 SER A 425 33.132 -3.712 -14.934 1.00 0.00 H new ATOM 0 HB3 SER A 425 33.943 -2.996 -16.313 1.00 0.00 H new ATOM 0 HG SER A 425 32.327 -1.584 -15.413 1.00 0.00 H new ATOM 152 N ASN A 426 34.534 -5.761 -17.517 1.00 0.00 N ATOM 153 CA ASN A 426 35.515 -6.843 -17.451 1.00 0.00 C ATOM 154 C ASN A 426 36.271 -6.795 -16.127 1.00 0.00 C ATOM 155 O ASN A 426 36.472 -7.827 -15.490 1.00 0.00 O ATOM 156 CB ASN A 426 36.501 -6.799 -18.641 1.00 0.00 C ATOM 157 CG ASN A 426 37.490 -5.645 -18.571 1.00 0.00 C ATOM 158 OD1 ASN A 426 38.571 -5.767 -17.989 1.00 0.00 O ATOM 159 ND2 ASN A 426 37.132 -4.529 -19.157 1.00 0.00 N ATOM 0 H ASN A 426 34.712 -5.068 -18.244 1.00 0.00 H new ATOM 0 HA ASN A 426 34.970 -7.785 -17.514 1.00 0.00 H new ATOM 0 HB2 ASN A 426 37.053 -7.738 -18.679 1.00 0.00 H new ATOM 0 HB3 ASN A 426 35.934 -6.725 -19.569 1.00 0.00 H new ATOM 0 HD21 ASN A 426 37.756 -3.722 -19.142 1.00 0.00 H new ATOM 0 HD22 ASN A 426 36.230 -4.467 -19.628 1.00 0.00 H new ATOM 166 N VAL A 427 36.667 -5.569 -15.721 1.00 0.00 N ATOM 167 CA VAL A 427 37.395 -5.299 -14.463 1.00 0.00 C ATOM 168 C VAL A 427 38.552 -6.306 -14.212 1.00 0.00 C ATOM 169 O VAL A 427 38.935 -6.574 -13.075 1.00 0.00 O ATOM 170 CB VAL A 427 36.420 -5.223 -13.229 1.00 0.00 C ATOM 171 CG1 VAL A 427 35.892 -6.590 -12.810 1.00 0.00 C ATOM 172 CG2 VAL A 427 37.072 -4.507 -12.057 1.00 0.00 C ATOM 0 H VAL A 427 36.487 -4.726 -16.267 1.00 0.00 H new ATOM 0 HA VAL A 427 37.856 -4.318 -14.581 1.00 0.00 H new ATOM 0 HB VAL A 427 35.557 -4.640 -13.551 1.00 0.00 H new ATOM 0 HG11 VAL A 427 35.225 -6.476 -11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 427 35.345 -7.039 -13.639 1.00 0.00 H new ATOM 0 HG13 VAL A 427 36.727 -7.234 -12.535 1.00 0.00 H new ATOM 0 HG21 VAL A 427 36.375 -4.470 -11.220 1.00 0.00 H new ATOM 0 HG22 VAL A 427 37.971 -5.045 -11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 427 37.338 -3.492 -12.353 1.00 0.00 H new ATOM 237 N VAL A 431 38.999 -0.520 -13.769 1.00 0.00 N ATOM 238 CA VAL A 431 37.645 -0.102 -14.073 1.00 0.00 C ATOM 239 C VAL A 431 37.673 1.063 -15.057 1.00 0.00 C ATOM 240 O VAL A 431 38.583 1.904 -15.015 1.00 0.00 O ATOM 241 CB VAL A 431 36.834 0.284 -12.806 1.00 0.00 C ATOM 242 CG1 VAL A 431 36.634 -0.923 -11.907 1.00 0.00 C ATOM 243 CG2 VAL A 431 37.510 1.401 -12.044 1.00 0.00 C ATOM 0 HA VAL A 431 37.137 -0.956 -14.522 1.00 0.00 H new ATOM 0 HB VAL A 431 35.857 0.639 -13.133 1.00 0.00 H new ATOM 0 HG11 VAL A 431 36.064 -0.630 -11.026 1.00 0.00 H new ATOM 0 HG12 VAL A 431 36.090 -1.696 -12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 431 37.604 -1.312 -11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 431 36.919 1.650 -11.162 1.00 0.00 H new ATOM 0 HG22 VAL A 431 38.505 1.081 -11.735 1.00 0.00 H new ATOM 0 HG23 VAL A 431 37.594 2.279 -12.684 1.00 0.00 H new ATOM 253 N SER A 432 36.699 1.096 -15.947 1.00 0.00 N ATOM 254 CA SER A 432 36.625 2.115 -16.985 1.00 0.00 C ATOM 255 C SER A 432 36.415 3.513 -16.400 1.00 0.00 C ATOM 256 O SER A 432 36.878 4.512 -16.963 1.00 0.00 O ATOM 257 CB SER A 432 35.492 1.772 -17.950 1.00 0.00 C ATOM 258 OG SER A 432 35.551 0.406 -18.330 1.00 0.00 O ATOM 0 H SER A 432 35.936 0.419 -15.973 1.00 0.00 H new ATOM 0 HA SER A 432 37.576 2.127 -17.517 1.00 0.00 H new ATOM 0 HB2 SER A 432 34.531 1.982 -17.480 1.00 0.00 H new ATOM 0 HB3 SER A 432 35.559 2.404 -18.836 1.00 0.00 H new ATOM 0 HG SER A 432 34.816 0.206 -18.947 1.00 0.00 H new ATOM 264 N THR A 433 35.732 3.587 -15.275 1.00 0.00 N ATOM 265 CA THR A 433 35.443 4.861 -14.658 1.00 0.00 C ATOM 266 C THR A 433 35.950 4.932 -13.231 1.00 0.00 C ATOM 267 O THR A 433 35.657 4.067 -12.409 1.00 0.00 O ATOM 268 CB THR A 433 33.940 5.160 -14.692 1.00 0.00 C ATOM 269 OG1 THR A 433 33.195 3.976 -14.336 1.00 0.00 O ATOM 270 CG2 THR A 433 33.527 5.637 -16.075 1.00 0.00 C ATOM 0 H THR A 433 35.368 2.778 -14.771 1.00 0.00 H new ATOM 0 HA THR A 433 35.970 5.617 -15.239 1.00 0.00 H new ATOM 0 HB THR A 433 33.723 5.949 -13.971 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.236 4.174 -14.358 1.00 0.00 H new ATOM 0 HG21 THR A 433 32.457 5.845 -16.084 1.00 0.00 H new ATOM 0 HG22 THR A 433 34.076 6.545 -16.326 1.00 0.00 H new ATOM 0 HG23 THR A 433 33.752 4.863 -16.809 1.00 0.00 H new ATOM 278 N LYS A 434 36.712 5.969 -12.947 1.00 0.00 N ATOM 279 CA LYS A 434 37.257 6.185 -11.624 1.00 0.00 C ATOM 280 C LYS A 434 36.545 7.376 -10.986 1.00 0.00 C ATOM 281 O LYS A 434 36.184 8.322 -11.681 1.00 0.00 O ATOM 282 CB LYS A 434 38.769 6.459 -11.713 1.00 0.00 C ATOM 283 CG LYS A 434 39.530 5.495 -12.632 1.00 0.00 C ATOM 284 CD LYS A 434 39.478 4.053 -12.145 1.00 0.00 C ATOM 285 CE LYS A 434 40.588 3.721 -11.147 1.00 0.00 C ATOM 286 NZ LYS A 434 40.478 4.482 -9.874 1.00 0.00 N ATOM 0 H LYS A 434 36.970 6.684 -13.627 1.00 0.00 H new ATOM 0 HA LYS A 434 37.103 5.295 -11.014 1.00 0.00 H new ATOM 0 HB2 LYS A 434 38.922 7.478 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 434 39.197 6.403 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 434 39.110 5.550 -13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 434 40.570 5.813 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 434 38.510 3.867 -11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 434 39.554 3.383 -13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 434 40.563 2.654 -10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 434 41.555 3.930 -11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 41.047 4.014 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 40.827 5.451 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 39.483 4.514 -9.573 1.00 0.00 H new ATOM 300 N PRO A 435 36.303 7.340 -9.674 1.00 0.00 N ATOM 301 CA PRO A 435 35.627 8.435 -8.979 1.00 0.00 C ATOM 302 C PRO A 435 36.530 9.653 -8.786 1.00 0.00 C ATOM 303 O PRO A 435 37.678 9.530 -8.347 1.00 0.00 O ATOM 304 CB PRO A 435 35.257 7.822 -7.624 1.00 0.00 C ATOM 305 CG PRO A 435 36.282 6.762 -7.400 1.00 0.00 C ATOM 306 CD PRO A 435 36.649 6.231 -8.761 1.00 0.00 C ATOM 0 HA PRO A 435 34.771 8.806 -9.543 1.00 0.00 H new ATOM 0 HB2 PRO A 435 35.280 8.570 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 435 34.251 7.404 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 435 37.157 7.169 -6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 435 35.887 5.968 -6.767 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.708 5.979 -8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 435 36.092 5.326 -9.001 1.00 0.00 H new ATOM 314 N CYS A 436 36.005 10.822 -9.135 1.00 0.00 N ATOM 315 CA CYS A 436 36.711 12.080 -8.946 1.00 0.00 C ATOM 316 C CYS A 436 36.873 12.347 -7.451 1.00 0.00 C ATOM 317 O CYS A 436 35.996 12.010 -6.667 1.00 0.00 O ATOM 318 CB CYS A 436 35.911 13.215 -9.617 1.00 0.00 C ATOM 319 SG CYS A 436 36.567 14.909 -9.369 1.00 0.00 S ATOM 0 H CYS A 436 35.081 10.923 -9.555 1.00 0.00 H new ATOM 0 HA CYS A 436 37.700 12.029 -9.402 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.864 13.017 -10.688 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.888 13.184 -9.242 1.00 0.00 H new ATOM 0 HG CYS A 436 36.422 15.595 -10.464 1.00 0.00 H new ATOM 324 N PRO A 437 37.980 12.962 -7.029 1.00 0.00 N ATOM 325 CA PRO A 437 38.219 13.241 -5.617 1.00 0.00 C ATOM 326 C PRO A 437 37.361 14.393 -5.127 1.00 0.00 C ATOM 327 O PRO A 437 37.331 14.706 -3.938 1.00 0.00 O ATOM 328 CB PRO A 437 39.689 13.638 -5.593 1.00 0.00 C ATOM 329 CG PRO A 437 39.920 14.248 -6.928 1.00 0.00 C ATOM 330 CD PRO A 437 39.075 13.458 -7.883 1.00 0.00 C ATOM 0 HA PRO A 437 37.978 12.394 -4.974 1.00 0.00 H new ATOM 0 HB2 PRO A 437 39.898 14.345 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 437 40.333 12.773 -5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.637 15.301 -6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.973 14.200 -7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.701 14.078 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.636 12.640 -8.335 1.00 0.00 H new ATOM 338 N LYS A 438 36.663 15.017 -6.053 1.00 0.00 N ATOM 339 CA LYS A 438 35.842 16.162 -5.736 1.00 0.00 C ATOM 340 C LYS A 438 34.357 15.798 -5.813 1.00 0.00 C ATOM 341 O LYS A 438 33.637 15.848 -4.810 1.00 0.00 O ATOM 342 CB LYS A 438 36.161 17.314 -6.702 1.00 0.00 C ATOM 343 CG LYS A 438 37.652 17.538 -6.949 1.00 0.00 C ATOM 344 CD LYS A 438 38.430 17.798 -5.663 1.00 0.00 C ATOM 345 CE LYS A 438 38.145 19.183 -5.098 1.00 0.00 C ATOM 346 NZ LYS A 438 38.885 19.432 -3.834 1.00 0.00 N ATOM 0 H LYS A 438 36.650 14.747 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 438 36.062 16.481 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.673 17.117 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 438 35.729 18.233 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 438 38.068 16.664 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 438 37.781 18.384 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 438 38.169 17.043 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 438 39.498 17.698 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 438 38.420 19.938 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 438 37.075 19.288 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 39.062 20.452 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 38.320 19.095 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 39.792 18.924 -3.857 1.00 0.00 H new ATOM 360 N CYS A 439 33.909 15.405 -6.999 1.00 0.00 N ATOM 361 CA CYS A 439 32.505 15.082 -7.211 1.00 0.00 C ATOM 362 C CYS A 439 32.236 13.580 -7.136 1.00 0.00 C ATOM 363 O CYS A 439 31.090 13.161 -6.980 1.00 0.00 O ATOM 364 CB CYS A 439 32.039 15.634 -8.550 1.00 0.00 C ATOM 365 SG CYS A 439 33.095 15.180 -9.948 1.00 0.00 S ATOM 0 H CYS A 439 34.497 15.303 -7.826 1.00 0.00 H new ATOM 0 HA CYS A 439 31.939 15.550 -6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 439 31.027 15.280 -8.744 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.989 16.721 -8.485 1.00 0.00 H new ATOM 0 HG CYS A 439 34.343 15.293 -9.603 1.00 0.00 H new ATOM 370 N ARG A 440 33.291 12.784 -7.251 1.00 0.00 N ATOM 371 CA ARG A 440 33.189 11.318 -7.204 1.00 0.00 C ATOM 372 C ARG A 440 32.322 10.761 -8.322 1.00 0.00 C ATOM 373 O ARG A 440 31.770 9.661 -8.208 1.00 0.00 O ATOM 374 CB ARG A 440 32.699 10.832 -5.843 1.00 0.00 C ATOM 375 CG ARG A 440 33.776 10.868 -4.781 1.00 0.00 C ATOM 376 CD ARG A 440 33.306 10.254 -3.485 1.00 0.00 C ATOM 377 NE ARG A 440 32.215 11.015 -2.873 1.00 0.00 N ATOM 378 CZ ARG A 440 31.635 10.696 -1.713 1.00 0.00 C ATOM 379 NH1 ARG A 440 32.029 9.618 -1.039 1.00 0.00 N ATOM 380 NH2 ARG A 440 30.656 11.449 -1.230 1.00 0.00 N ATOM 0 H ARG A 440 34.243 13.128 -7.379 1.00 0.00 H new ATOM 0 HA ARG A 440 34.198 10.935 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 440 31.860 11.450 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 440 32.326 9.813 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 440 34.656 10.334 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 440 34.079 11.900 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 440 32.975 9.232 -3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 440 34.142 10.197 -2.788 1.00 0.00 H new ATOM 0 HE ARG A 440 31.876 11.842 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 440 32.777 9.031 -1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 440 31.583 9.379 -0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 440 30.345 12.273 -1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 440 30.214 11.204 -0.344 1.00 0.00 H new ATOM 394 N THR A 441 32.221 11.501 -9.410 1.00 0.00 N ATOM 395 CA THR A 441 31.466 11.054 -10.556 1.00 0.00 C ATOM 396 C THR A 441 32.289 10.057 -11.365 1.00 0.00 C ATOM 397 O THR A 441 33.520 10.016 -11.237 1.00 0.00 O ATOM 398 CB THR A 441 31.045 12.241 -11.449 1.00 0.00 C ATOM 399 OG1 THR A 441 32.170 13.084 -11.708 1.00 0.00 O ATOM 400 CG2 THR A 441 29.933 13.042 -10.789 1.00 0.00 C ATOM 0 H THR A 441 32.656 12.417 -9.520 1.00 0.00 H new ATOM 0 HA THR A 441 30.560 10.567 -10.195 1.00 0.00 H new ATOM 0 HB THR A 441 30.671 11.846 -12.394 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.264 13.736 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 441 29.651 13.874 -11.435 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.068 12.399 -10.627 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.282 13.428 -9.831 1.00 0.00 H new ATOM 408 N PRO A 442 31.633 9.217 -12.187 1.00 0.00 N ATOM 409 CA PRO A 442 32.325 8.228 -13.005 1.00 0.00 C ATOM 410 C PRO A 442 33.197 8.873 -14.088 1.00 0.00 C ATOM 411 O PRO A 442 32.732 9.160 -15.199 1.00 0.00 O ATOM 412 CB PRO A 442 31.190 7.407 -13.634 1.00 0.00 C ATOM 413 CG PRO A 442 29.998 8.303 -13.588 1.00 0.00 C ATOM 414 CD PRO A 442 30.167 9.162 -12.369 1.00 0.00 C ATOM 0 HA PRO A 442 33.013 7.625 -12.412 1.00 0.00 H new ATOM 0 HB2 PRO A 442 31.430 7.121 -14.658 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.014 6.486 -13.078 1.00 0.00 H new ATOM 0 HG2 PRO A 442 29.935 8.914 -14.489 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.077 7.723 -13.531 1.00 0.00 H new ATOM 0 HD2 PRO A 442 29.743 10.155 -12.516 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.671 8.729 -11.501 1.00 0.00 H new ATOM 422 N THR A 443 34.449 9.117 -13.749 1.00 0.00 N ATOM 423 CA THR A 443 35.387 9.697 -14.677 1.00 0.00 C ATOM 424 C THR A 443 35.952 8.620 -15.579 1.00 0.00 C ATOM 425 O THR A 443 36.630 7.699 -15.111 1.00 0.00 O ATOM 426 CB THR A 443 36.544 10.404 -13.930 1.00 0.00 C ATOM 427 OG1 THR A 443 36.016 11.467 -13.132 1.00 0.00 O ATOM 428 CG2 THR A 443 37.577 10.965 -14.909 1.00 0.00 C ATOM 0 H THR A 443 34.838 8.918 -12.827 1.00 0.00 H new ATOM 0 HA THR A 443 34.857 10.438 -15.276 1.00 0.00 H new ATOM 0 HB THR A 443 37.040 9.670 -13.295 1.00 0.00 H new ATOM 0 HG1 THR A 443 36.748 11.914 -12.657 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.376 11.455 -14.353 1.00 0.00 H new ATOM 0 HG22 THR A 443 37.994 10.152 -15.503 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.098 11.688 -15.569 1.00 0.00 H new ATOM 436 N GLU A 444 35.653 8.715 -16.859 1.00 0.00 N ATOM 437 CA GLU A 444 36.171 7.770 -17.815 1.00 0.00 C ATOM 438 C GLU A 444 37.658 7.946 -17.956 1.00 0.00 C ATOM 439 O GLU A 444 38.131 9.022 -18.335 1.00 0.00 O ATOM 440 CB GLU A 444 35.505 7.933 -19.175 1.00 0.00 C ATOM 441 CG GLU A 444 34.050 7.528 -19.211 1.00 0.00 C ATOM 442 CD GLU A 444 33.539 7.401 -20.623 1.00 0.00 C ATOM 443 OE1 GLU A 444 33.847 6.383 -21.279 1.00 0.00 O ATOM 444 OE2 GLU A 444 32.847 8.323 -21.095 1.00 0.00 O ATOM 0 H GLU A 444 35.054 9.438 -17.257 1.00 0.00 H new ATOM 0 HA GLU A 444 35.952 6.768 -17.447 1.00 0.00 H new ATOM 0 HB2 GLU A 444 35.587 8.975 -19.483 1.00 0.00 H new ATOM 0 HB3 GLU A 444 36.053 7.340 -19.907 1.00 0.00 H new ATOM 0 HG2 GLU A 444 33.924 6.578 -18.692 1.00 0.00 H new ATOM 0 HG3 GLU A 444 33.454 8.266 -18.674 1.00 0.00 H new ATOM 451 N ARG A 445 38.397 6.909 -17.631 1.00 0.00 N ATOM 452 CA ARG A 445 39.837 6.962 -17.743 1.00 0.00 C ATOM 453 C ARG A 445 40.246 7.047 -19.201 1.00 0.00 C ATOM 454 O ARG A 445 39.832 6.231 -20.029 1.00 0.00 O ATOM 455 CB ARG A 445 40.500 5.757 -17.075 1.00 0.00 C ATOM 456 CG ARG A 445 40.036 4.421 -17.615 1.00 0.00 C ATOM 457 CD ARG A 445 40.974 3.306 -17.214 1.00 0.00 C ATOM 458 NE ARG A 445 42.309 3.462 -17.810 1.00 0.00 N ATOM 459 CZ ARG A 445 43.075 2.445 -18.229 1.00 0.00 C ATOM 460 NH1 ARG A 445 42.600 1.210 -18.226 1.00 0.00 N ATOM 461 NH2 ARG A 445 44.304 2.678 -18.679 1.00 0.00 N ATOM 0 H ARG A 445 38.027 6.022 -17.288 1.00 0.00 H new ATOM 0 HA ARG A 445 40.178 7.857 -17.223 1.00 0.00 H new ATOM 0 HB2 ARG A 445 41.580 5.833 -17.201 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.301 5.793 -16.004 1.00 0.00 H new ATOM 0 HG2 ARG A 445 39.034 4.206 -17.244 1.00 0.00 H new ATOM 0 HG3 ARG A 445 39.970 4.470 -18.702 1.00 0.00 H new ATOM 0 HD2 ARG A 445 41.063 3.282 -16.128 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.551 2.349 -17.520 1.00 0.00 H new ATOM 0 HE ARG A 445 42.677 4.408 -17.911 1.00 0.00 H new ATOM 0 HH11 ARG A 445 41.649 1.030 -17.904 1.00 0.00 H new ATOM 0 HH12 ARG A 445 43.185 0.438 -18.545 1.00 0.00 H new ATOM 0 HH21 ARG A 445 44.665 3.632 -18.706 1.00 0.00 H new ATOM 0 HH22 ARG A 445 44.886 1.903 -18.998 1.00 0.00 H new ATOM 475 N ASP A 446 41.037 8.033 -19.510 1.00 0.00 N ATOM 476 CA ASP A 446 41.501 8.243 -20.863 1.00 0.00 C ATOM 477 C ASP A 446 42.960 8.640 -20.851 1.00 0.00 C ATOM 478 O ASP A 446 43.443 9.234 -19.879 1.00 0.00 O ATOM 479 CB ASP A 446 40.660 9.309 -21.583 1.00 0.00 C ATOM 480 CG ASP A 446 40.880 10.709 -21.045 1.00 0.00 C ATOM 481 OD1 ASP A 446 40.376 11.019 -19.948 1.00 0.00 O ATOM 482 OD2 ASP A 446 41.552 11.512 -21.725 1.00 0.00 O ATOM 0 H ASP A 446 41.382 8.717 -18.837 1.00 0.00 H new ATOM 0 HA ASP A 446 41.389 7.308 -21.411 1.00 0.00 H new ATOM 0 HB2 ASP A 446 40.899 9.294 -22.646 1.00 0.00 H new ATOM 0 HB3 ASP A 446 39.605 9.053 -21.490 1.00 0.00 H new ATOM 487 N GLY A 447 43.657 8.305 -21.914 1.00 0.00 N ATOM 488 CA GLY A 447 45.061 8.611 -22.000 1.00 0.00 C ATOM 489 C GLY A 447 45.910 7.499 -21.435 1.00 0.00 C ATOM 490 O GLY A 447 45.444 6.703 -20.614 1.00 0.00 O ATOM 0 H GLY A 447 43.273 7.822 -22.726 1.00 0.00 H new ATOM 0 HA2 GLY A 447 45.333 8.783 -23.041 1.00 0.00 H new ATOM 0 HA3 GLY A 447 45.266 9.535 -21.460 1.00 0.00 H new ATOM 494 N GLY A 448 47.146 7.429 -21.872 1.00 0.00 N ATOM 495 CA GLY A 448 48.042 6.410 -21.376 1.00 0.00 C ATOM 496 C GLY A 448 48.898 6.934 -20.253 1.00 0.00 C ATOM 497 O GLY A 448 49.651 6.189 -19.630 1.00 0.00 O ATOM 0 H GLY A 448 47.552 8.059 -22.564 1.00 0.00 H new ATOM 0 HA2 GLY A 448 47.465 5.554 -21.027 1.00 0.00 H new ATOM 0 HA3 GLY A 448 48.679 6.056 -22.187 1.00 0.00 H new ATOM 501 N CYS A 449 48.766 8.214 -19.985 1.00 0.00 N ATOM 502 CA CYS A 449 49.535 8.873 -18.953 1.00 0.00 C ATOM 503 C CYS A 449 48.983 8.558 -17.561 1.00 0.00 C ATOM 504 O CYS A 449 47.917 7.956 -17.419 1.00 0.00 O ATOM 505 CB CYS A 449 49.523 10.376 -19.190 1.00 0.00 C ATOM 506 SG CYS A 449 47.861 11.069 -19.351 1.00 0.00 S ATOM 0 H CYS A 449 48.120 8.830 -20.479 1.00 0.00 H new ATOM 0 HA CYS A 449 50.559 8.502 -18.999 1.00 0.00 H new ATOM 0 HB2 CYS A 449 50.035 10.870 -18.364 1.00 0.00 H new ATOM 0 HB3 CYS A 449 50.089 10.597 -20.095 1.00 0.00 H new ATOM 0 HG CYS A 449 47.311 11.155 -18.176 1.00 0.00 H new ATOM 512 N MET A 450 49.709 8.998 -16.550 1.00 0.00 N ATOM 513 CA MET A 450 49.332 8.794 -15.161 1.00 0.00 C ATOM 514 C MET A 450 48.569 10.029 -14.648 1.00 0.00 C ATOM 515 O MET A 450 48.340 10.204 -13.451 1.00 0.00 O ATOM 516 CB MET A 450 50.595 8.543 -14.330 1.00 0.00 C ATOM 517 CG MET A 450 50.344 8.132 -12.892 1.00 0.00 C ATOM 518 SD MET A 450 51.868 7.898 -11.961 1.00 0.00 S ATOM 519 CE MET A 450 52.520 6.444 -12.761 1.00 0.00 C ATOM 0 H MET A 450 50.583 9.511 -16.669 1.00 0.00 H new ATOM 0 HA MET A 450 48.677 7.927 -15.072 1.00 0.00 H new ATOM 0 HB2 MET A 450 51.184 7.766 -14.817 1.00 0.00 H new ATOM 0 HB3 MET A 450 51.200 9.450 -14.333 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.736 8.893 -12.402 1.00 0.00 H new ATOM 0 HG3 MET A 450 49.768 7.206 -12.878 1.00 0.00 H new ATOM 0 HE1 MET A 450 53.272 5.983 -12.121 1.00 0.00 H new ATOM 0 HE2 MET A 450 51.712 5.734 -12.940 1.00 0.00 H new ATOM 0 HE3 MET A 450 52.974 6.724 -13.711 1.00 0.00 H new ATOM 529 N HIS A 451 48.196 10.881 -15.579 1.00 0.00 N ATOM 530 CA HIS A 451 47.425 12.074 -15.287 1.00 0.00 C ATOM 531 C HIS A 451 45.985 11.868 -15.749 1.00 0.00 C ATOM 532 O HIS A 451 45.730 11.708 -16.945 1.00 0.00 O ATOM 533 CB HIS A 451 48.068 13.292 -15.991 1.00 0.00 C ATOM 534 CG HIS A 451 47.204 14.526 -16.078 1.00 0.00 C ATOM 535 ND1 HIS A 451 47.069 15.208 -17.262 1.00 0.00 N ATOM 536 CD2 HIS A 451 46.483 15.161 -15.119 1.00 0.00 C ATOM 537 CE1 HIS A 451 46.279 16.232 -17.003 1.00 0.00 C ATOM 538 NE2 HIS A 451 45.900 16.249 -15.723 1.00 0.00 N ATOM 0 H HIS A 451 48.420 10.766 -16.567 1.00 0.00 H new ATOM 0 HA HIS A 451 47.421 12.264 -14.214 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.987 13.550 -15.464 1.00 0.00 H new ATOM 0 HB3 HIS A 451 48.352 12.997 -17.001 1.00 0.00 H new ATOM 0 HD1 HIS A 451 47.493 14.971 -18.159 1.00 0.00 H new ATOM 0 HD2 HIS A 451 46.386 14.868 -14.084 1.00 0.00 H new ATOM 0 HE1 HIS A 451 45.976 16.966 -17.735 1.00 0.00 H new ATOM 546 N MET A 452 45.056 11.842 -14.805 1.00 0.00 N ATOM 547 CA MET A 452 43.664 11.657 -15.135 1.00 0.00 C ATOM 548 C MET A 452 42.917 12.972 -15.010 1.00 0.00 C ATOM 549 O MET A 452 43.259 13.818 -14.174 1.00 0.00 O ATOM 550 CB MET A 452 43.019 10.612 -14.233 1.00 0.00 C ATOM 551 CG MET A 452 41.904 9.847 -14.920 1.00 0.00 C ATOM 552 SD MET A 452 40.866 8.915 -13.777 1.00 0.00 S ATOM 553 CE MET A 452 42.078 7.872 -12.985 1.00 0.00 C ATOM 0 H MET A 452 45.247 11.947 -13.809 1.00 0.00 H new ATOM 0 HA MET A 452 43.608 11.305 -16.165 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.781 9.909 -13.897 1.00 0.00 H new ATOM 0 HB3 MET A 452 42.622 11.102 -13.344 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.281 10.548 -15.476 1.00 0.00 H new ATOM 0 HG3 MET A 452 42.338 9.161 -15.647 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.776 7.681 -11.955 1.00 0.00 H new ATOM 0 HE2 MET A 452 42.152 6.927 -13.523 1.00 0.00 H new ATOM 0 HE3 MET A 452 43.047 8.370 -12.993 1.00 0.00 H new ATOM 563 N VAL A 453 41.910 13.149 -15.836 1.00 0.00 N ATOM 564 CA VAL A 453 41.136 14.374 -15.834 1.00 0.00 C ATOM 565 C VAL A 453 39.665 14.084 -15.669 1.00 0.00 C ATOM 566 O VAL A 453 39.101 13.266 -16.404 1.00 0.00 O ATOM 567 CB VAL A 453 41.323 15.146 -17.147 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.582 16.474 -17.109 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.796 15.348 -17.441 1.00 0.00 C ATOM 0 H VAL A 453 41.606 12.458 -16.521 1.00 0.00 H new ATOM 0 HA VAL A 453 41.494 14.973 -14.996 1.00 0.00 H new ATOM 0 HB VAL A 453 40.896 14.553 -17.956 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.731 17.001 -18.051 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.518 16.293 -16.959 1.00 0.00 H new ATOM 0 HG13 VAL A 453 40.966 17.081 -16.289 1.00 0.00 H new ATOM 0 HG21 VAL A 453 42.908 15.897 -18.376 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.255 15.914 -16.630 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.286 14.378 -17.529 1.00 0.00 H new ATOM 579 N CYS A 454 39.042 14.757 -14.710 1.00 0.00 N ATOM 580 CA CYS A 454 37.621 14.631 -14.500 1.00 0.00 C ATOM 581 C CYS A 454 36.895 15.173 -15.711 1.00 0.00 C ATOM 582 O CYS A 454 37.031 16.349 -16.063 1.00 0.00 O ATOM 583 CB CYS A 454 37.182 15.380 -13.241 1.00 0.00 C ATOM 584 SG CYS A 454 35.400 15.265 -12.887 1.00 0.00 S ATOM 0 H CYS A 454 39.509 15.397 -14.067 1.00 0.00 H new ATOM 0 HA CYS A 454 37.375 13.578 -14.361 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.736 14.989 -12.388 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.454 16.431 -13.344 1.00 0.00 H new ATOM 0 HG CYS A 454 35.069 16.178 -12.023 1.00 0.00 H new ATOM 589 N THR A 455 36.149 14.324 -16.344 1.00 0.00 N ATOM 590 CA THR A 455 35.439 14.681 -17.538 1.00 0.00 C ATOM 591 C THR A 455 34.006 15.122 -17.220 1.00 0.00 C ATOM 592 O THR A 455 33.171 15.284 -18.116 1.00 0.00 O ATOM 593 CB THR A 455 35.483 13.509 -18.568 1.00 0.00 C ATOM 594 OG1 THR A 455 34.430 13.600 -19.532 1.00 0.00 O ATOM 595 CG2 THR A 455 35.446 12.172 -17.864 1.00 0.00 C ATOM 0 H THR A 455 36.012 13.357 -16.048 1.00 0.00 H new ATOM 0 HA THR A 455 35.934 15.538 -17.995 1.00 0.00 H new ATOM 0 HB THR A 455 36.426 13.593 -19.108 1.00 0.00 H new ATOM 0 HG1 THR A 455 33.950 14.446 -19.413 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.478 11.371 -18.603 1.00 0.00 H new ATOM 0 HG22 THR A 455 36.306 12.087 -17.199 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.528 12.093 -17.282 1.00 0.00 H new ATOM 603 N ARG A 456 33.733 15.349 -15.945 1.00 0.00 N ATOM 604 CA ARG A 456 32.429 15.821 -15.540 1.00 0.00 C ATOM 605 C ARG A 456 32.273 17.279 -15.936 1.00 0.00 C ATOM 606 O ARG A 456 33.117 18.116 -15.598 1.00 0.00 O ATOM 607 CB ARG A 456 32.246 15.683 -14.034 1.00 0.00 C ATOM 608 CG ARG A 456 30.896 16.166 -13.536 1.00 0.00 C ATOM 609 CD ARG A 456 30.886 16.305 -12.031 1.00 0.00 C ATOM 610 NE ARG A 456 29.578 16.699 -11.518 1.00 0.00 N ATOM 611 CZ ARG A 456 29.382 17.570 -10.524 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.418 18.181 -9.948 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.151 17.830 -10.108 1.00 0.00 N ATOM 0 H ARG A 456 34.395 15.214 -15.181 1.00 0.00 H new ATOM 0 HA ARG A 456 31.672 15.216 -16.039 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.373 14.637 -13.756 1.00 0.00 H new ATOM 0 HB3 ARG A 456 33.032 16.244 -13.529 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.659 17.126 -13.994 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.120 15.465 -13.844 1.00 0.00 H new ATOM 0 HD2 ARG A 456 31.180 15.358 -11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.629 17.045 -11.732 1.00 0.00 H new ATOM 0 HE ARG A 456 28.754 16.279 -11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.367 17.984 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.261 18.845 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.356 17.366 -10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 456 27.999 18.495 -9.349 1.00 0.00 H new ATOM 627 N ALA A 457 31.214 17.577 -16.665 1.00 0.00 N ATOM 628 CA ALA A 457 30.933 18.935 -17.074 1.00 0.00 C ATOM 629 C ALA A 457 30.720 19.809 -15.853 1.00 0.00 C ATOM 630 O ALA A 457 29.894 19.500 -14.998 1.00 0.00 O ATOM 631 CB ALA A 457 29.710 18.971 -17.974 1.00 0.00 C ATOM 0 H ALA A 457 30.532 16.890 -16.986 1.00 0.00 H new ATOM 0 HA ALA A 457 31.784 19.320 -17.635 1.00 0.00 H new ATOM 0 HB1 ALA A 457 29.510 19.999 -18.275 1.00 0.00 H new ATOM 0 HB2 ALA A 457 29.892 18.363 -18.860 1.00 0.00 H new ATOM 0 HB3 ALA A 457 28.849 18.577 -17.434 1.00 0.00 H new ATOM 637 N GLY A 458 31.483 20.874 -15.760 1.00 0.00 N ATOM 638 CA GLY A 458 31.371 21.759 -14.624 1.00 0.00 C ATOM 639 C GLY A 458 32.470 21.521 -13.604 1.00 0.00 C ATOM 640 O GLY A 458 32.720 22.363 -12.734 1.00 0.00 O ATOM 0 H GLY A 458 32.182 21.147 -16.451 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.412 22.793 -14.965 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.400 21.618 -14.150 1.00 0.00 H new ATOM 644 N CYS A 459 33.127 20.372 -13.704 1.00 0.00 N ATOM 645 CA CYS A 459 34.214 20.037 -12.800 1.00 0.00 C ATOM 646 C CYS A 459 35.540 20.287 -13.500 1.00 0.00 C ATOM 647 O CYS A 459 36.232 21.270 -13.207 1.00 0.00 O ATOM 648 CB CYS A 459 34.116 18.565 -12.362 1.00 0.00 C ATOM 649 SG CYS A 459 34.986 18.176 -10.799 1.00 0.00 S ATOM 0 H CYS A 459 32.924 19.658 -14.403 1.00 0.00 H new ATOM 0 HA CYS A 459 34.147 20.663 -11.910 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.064 18.301 -12.252 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.521 17.936 -13.155 1.00 0.00 H new ATOM 0 HG CYS A 459 34.461 17.115 -10.263 1.00 0.00 H new ATOM 654 N GLY A 460 35.873 19.406 -14.444 1.00 0.00 N ATOM 655 CA GLY A 460 37.111 19.530 -15.196 1.00 0.00 C ATOM 656 C GLY A 460 38.329 19.575 -14.303 1.00 0.00 C ATOM 657 O GLY A 460 39.269 20.325 -14.559 1.00 0.00 O ATOM 0 H GLY A 460 35.301 18.602 -14.702 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.200 18.689 -15.884 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.075 20.435 -15.802 1.00 0.00 H new ATOM 661 N PHE A 461 38.307 18.783 -13.251 1.00 0.00 N ATOM 662 CA PHE A 461 39.397 18.756 -12.301 1.00 0.00 C ATOM 663 C PHE A 461 40.484 17.778 -12.746 1.00 0.00 C ATOM 664 O PHE A 461 40.202 16.764 -13.370 1.00 0.00 O ATOM 665 CB PHE A 461 38.872 18.385 -10.915 1.00 0.00 C ATOM 666 CG PHE A 461 39.888 18.535 -9.828 1.00 0.00 C ATOM 667 CD1 PHE A 461 40.333 19.792 -9.451 1.00 0.00 C ATOM 668 CD2 PHE A 461 40.402 17.426 -9.182 1.00 0.00 C ATOM 669 CE1 PHE A 461 41.266 19.940 -8.452 1.00 0.00 C ATOM 670 CE2 PHE A 461 41.337 17.566 -8.182 1.00 0.00 C ATOM 671 CZ PHE A 461 41.770 18.827 -7.816 1.00 0.00 C ATOM 0 H PHE A 461 37.541 18.146 -13.033 1.00 0.00 H new ATOM 0 HA PHE A 461 39.841 19.750 -12.254 1.00 0.00 H new ATOM 0 HB2 PHE A 461 38.010 19.010 -10.683 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.522 17.353 -10.933 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.942 20.667 -9.949 1.00 0.00 H new ATOM 0 HD2 PHE A 461 40.066 16.439 -9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 461 41.603 20.926 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.732 16.693 -7.684 1.00 0.00 H new ATOM 0 HZ PHE A 461 42.504 18.939 -7.031 1.00 0.00 H new ATOM 681 N GLU A 462 41.723 18.097 -12.425 1.00 0.00 N ATOM 682 CA GLU A 462 42.852 17.258 -12.789 1.00 0.00 C ATOM 683 C GLU A 462 43.472 16.636 -11.544 1.00 0.00 C ATOM 684 O GLU A 462 43.635 17.311 -10.525 1.00 0.00 O ATOM 685 CB GLU A 462 43.897 18.082 -13.534 1.00 0.00 C ATOM 686 CG GLU A 462 43.430 18.607 -14.879 1.00 0.00 C ATOM 687 CD GLU A 462 44.454 19.511 -15.526 1.00 0.00 C ATOM 688 OE1 GLU A 462 45.636 19.111 -15.617 1.00 0.00 O ATOM 689 OE2 GLU A 462 44.090 20.631 -15.933 1.00 0.00 O ATOM 0 H GLU A 462 41.976 18.939 -11.908 1.00 0.00 H new ATOM 0 HA GLU A 462 42.497 16.460 -13.441 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.192 18.925 -12.909 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.787 17.470 -13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 462 43.219 17.767 -15.541 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.496 19.153 -14.749 1.00 0.00 H new ATOM 696 N TRP A 463 43.809 15.356 -11.625 1.00 0.00 N ATOM 697 CA TRP A 463 44.392 14.643 -10.494 1.00 0.00 C ATOM 698 C TRP A 463 45.294 13.498 -10.956 1.00 0.00 C ATOM 699 O TRP A 463 45.212 13.054 -12.108 1.00 0.00 O ATOM 700 CB TRP A 463 43.296 14.142 -9.526 1.00 0.00 C ATOM 701 CG TRP A 463 42.078 13.537 -10.191 1.00 0.00 C ATOM 702 CD1 TRP A 463 41.116 14.200 -10.904 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.675 12.163 -10.168 1.00 0.00 C ATOM 704 NE1 TRP A 463 40.155 13.323 -11.334 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.472 12.067 -10.895 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.215 11.001 -9.610 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.800 10.863 -11.075 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.544 9.805 -9.790 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.349 9.746 -10.516 1.00 0.00 C ATOM 0 H TRP A 463 43.689 14.788 -12.464 1.00 0.00 H new ATOM 0 HA TRP A 463 45.019 15.349 -9.949 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.734 13.398 -8.860 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.974 14.977 -8.904 1.00 0.00 H new ATOM 0 HD1 TRP A 463 41.115 15.262 -11.100 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.336 13.567 -11.891 1.00 0.00 H new ATOM 0 HE3 TRP A 463 43.138 11.036 -9.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 38.878 10.814 -11.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.950 8.900 -9.362 1.00 0.00 H new ATOM 0 HH2 TRP A 463 39.850 8.796 -10.636 1.00 0.00 H new ATOM 720 N CYS A 464 46.164 13.030 -10.063 1.00 0.00 N ATOM 721 CA CYS A 464 47.101 11.979 -10.411 1.00 0.00 C ATOM 722 C CYS A 464 46.506 10.583 -10.218 1.00 0.00 C ATOM 723 O CYS A 464 45.766 10.322 -9.266 1.00 0.00 O ATOM 724 CB CYS A 464 48.427 12.145 -9.656 1.00 0.00 C ATOM 725 SG CYS A 464 48.266 12.399 -7.859 1.00 0.00 S ATOM 0 H CYS A 464 46.235 13.363 -9.101 1.00 0.00 H new ATOM 0 HA CYS A 464 47.313 12.078 -11.476 1.00 0.00 H new ATOM 0 HB2 CYS A 464 49.039 11.260 -9.829 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.965 12.992 -10.080 1.00 0.00 H new ATOM 0 HG CYS A 464 48.881 11.443 -7.229 1.00 0.00 H new ATOM 730 N TRP A 465 46.860 9.702 -11.135 1.00 0.00 N ATOM 731 CA TRP A 465 46.354 8.335 -11.196 1.00 0.00 C ATOM 732 C TRP A 465 46.627 7.539 -9.913 1.00 0.00 C ATOM 733 O TRP A 465 45.728 6.908 -9.369 1.00 0.00 O ATOM 734 CB TRP A 465 47.006 7.630 -12.384 1.00 0.00 C ATOM 735 CG TRP A 465 46.440 6.295 -12.709 1.00 0.00 C ATOM 736 CD1 TRP A 465 46.756 5.104 -12.135 1.00 0.00 C ATOM 737 CD2 TRP A 465 45.469 6.016 -13.710 1.00 0.00 C ATOM 738 NE1 TRP A 465 46.027 4.097 -12.708 1.00 0.00 N ATOM 739 CE2 TRP A 465 45.226 4.632 -13.680 1.00 0.00 C ATOM 740 CE3 TRP A 465 44.774 6.805 -14.624 1.00 0.00 C ATOM 741 CZ2 TRP A 465 44.320 4.022 -14.534 1.00 0.00 C ATOM 742 CZ3 TRP A 465 43.876 6.200 -15.470 1.00 0.00 C ATOM 743 CH2 TRP A 465 43.655 4.820 -15.417 1.00 0.00 C ATOM 0 H TRP A 465 47.524 9.918 -11.879 1.00 0.00 H new ATOM 0 HA TRP A 465 45.271 8.384 -11.310 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.915 8.270 -13.262 1.00 0.00 H new ATOM 0 HB3 TRP A 465 48.071 7.517 -12.181 1.00 0.00 H new ATOM 0 HD1 TRP A 465 47.477 4.972 -11.342 1.00 0.00 H new ATOM 0 HE1 TRP A 465 46.073 3.111 -12.453 1.00 0.00 H new ATOM 0 HE3 TRP A 465 44.938 7.872 -14.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 44.148 2.956 -14.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.333 6.799 -16.186 1.00 0.00 H new ATOM 0 HH2 TRP A 465 42.939 4.375 -16.093 1.00 0.00 H new ATOM 754 N VAL A 466 47.874 7.566 -9.452 1.00 0.00 N ATOM 755 CA VAL A 466 48.285 6.772 -8.290 1.00 0.00 C ATOM 756 C VAL A 466 47.543 7.177 -7.027 1.00 0.00 C ATOM 757 O VAL A 466 46.907 6.348 -6.372 1.00 0.00 O ATOM 758 CB VAL A 466 49.792 6.910 -8.021 1.00 0.00 C ATOM 759 CG1 VAL A 466 50.249 5.929 -6.959 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.585 6.737 -9.291 1.00 0.00 C ATOM 0 H VAL A 466 48.620 8.128 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 466 48.041 5.738 -8.536 1.00 0.00 H new ATOM 0 HB VAL A 466 49.973 7.917 -7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.319 6.049 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 466 49.711 6.121 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 466 50.046 4.911 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 466 51.648 6.839 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.394 5.748 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.288 7.498 -10.012 1.00 0.00 H new ATOM 770 N CYS A 467 47.637 8.447 -6.688 1.00 0.00 N ATOM 771 CA CYS A 467 47.037 8.963 -5.478 1.00 0.00 C ATOM 772 C CYS A 467 45.515 8.883 -5.513 1.00 0.00 C ATOM 773 O CYS A 467 44.883 8.700 -4.469 1.00 0.00 O ATOM 774 CB CYS A 467 47.496 10.397 -5.246 1.00 0.00 C ATOM 775 SG CYS A 467 49.296 10.564 -4.963 1.00 0.00 S ATOM 0 H CYS A 467 48.130 9.147 -7.243 1.00 0.00 H new ATOM 0 HA CYS A 467 47.368 8.339 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.216 11.001 -6.109 1.00 0.00 H new ATOM 0 HB3 CYS A 467 46.964 10.804 -4.386 1.00 0.00 H new ATOM 0 HG CYS A 467 49.932 10.350 -6.076 1.00 0.00 H new ATOM 780 N GLN A 468 44.935 9.029 -6.710 1.00 0.00 N ATOM 781 CA GLN A 468 43.476 8.995 -6.890 1.00 0.00 C ATOM 782 C GLN A 468 42.823 10.125 -6.108 1.00 0.00 C ATOM 783 O GLN A 468 41.661 10.052 -5.718 1.00 0.00 O ATOM 784 CB GLN A 468 42.890 7.641 -6.461 1.00 0.00 C ATOM 785 CG GLN A 468 43.402 6.463 -7.269 1.00 0.00 C ATOM 786 CD GLN A 468 42.730 5.163 -6.880 1.00 0.00 C ATOM 787 OE1 GLN A 468 41.704 4.786 -7.451 1.00 0.00 O ATOM 788 NE2 GLN A 468 43.298 4.472 -5.913 1.00 0.00 N ATOM 0 H GLN A 468 45.457 9.173 -7.575 1.00 0.00 H new ATOM 0 HA GLN A 468 43.266 9.129 -7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 468 43.120 7.474 -5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 468 41.804 7.683 -6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 468 43.235 6.653 -8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 468 44.479 6.369 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 468 44.147 4.821 -5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 468 42.889 3.588 -5.610 1.00 0.00 H new ATOM 797 N THR A 469 43.587 11.165 -5.887 1.00 0.00 N ATOM 798 CA THR A 469 43.140 12.316 -5.156 1.00 0.00 C ATOM 799 C THR A 469 43.818 13.542 -5.742 1.00 0.00 C ATOM 800 O THR A 469 44.765 13.402 -6.520 1.00 0.00 O ATOM 801 CB THR A 469 43.490 12.172 -3.647 1.00 0.00 C ATOM 802 OG1 THR A 469 43.070 10.878 -3.187 1.00 0.00 O ATOM 803 CG2 THR A 469 42.792 13.238 -2.808 1.00 0.00 C ATOM 0 H THR A 469 44.550 11.233 -6.216 1.00 0.00 H new ATOM 0 HA THR A 469 42.057 12.412 -5.238 1.00 0.00 H new ATOM 0 HB THR A 469 44.568 12.293 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 469 43.667 10.192 -3.551 1.00 0.00 H new ATOM 0 HG21 THR A 469 43.059 13.108 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 469 43.106 14.227 -3.142 1.00 0.00 H new ATOM 0 HG23 THR A 469 41.712 13.142 -2.922 1.00 0.00 H new ATOM 811 N GLU A 470 43.330 14.731 -5.402 1.00 0.00 N ATOM 812 CA GLU A 470 43.921 15.957 -5.902 1.00 0.00 C ATOM 813 C GLU A 470 45.405 16.004 -5.599 1.00 0.00 C ATOM 814 O GLU A 470 45.869 15.440 -4.595 1.00 0.00 O ATOM 815 CB GLU A 470 43.221 17.183 -5.324 1.00 0.00 C ATOM 816 CG GLU A 470 43.238 17.269 -3.814 1.00 0.00 C ATOM 817 CD GLU A 470 42.490 18.479 -3.318 1.00 0.00 C ATOM 818 OE1 GLU A 470 41.254 18.404 -3.187 1.00 0.00 O ATOM 819 OE2 GLU A 470 43.130 19.523 -3.074 1.00 0.00 O ATOM 0 H GLU A 470 42.530 14.866 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 470 43.789 15.970 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.692 18.078 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 470 42.185 17.186 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 470 42.793 16.368 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 470 44.269 17.309 -3.463 1.00 0.00 H new ATOM 826 N TRP A 471 46.142 16.653 -6.467 1.00 0.00 N ATOM 827 CA TRP A 471 47.576 16.745 -6.326 1.00 0.00 C ATOM 828 C TRP A 471 47.969 17.416 -5.022 1.00 0.00 C ATOM 829 O TRP A 471 47.302 18.339 -4.552 1.00 0.00 O ATOM 830 CB TRP A 471 48.204 17.488 -7.524 1.00 0.00 C ATOM 831 CG TRP A 471 47.578 18.827 -7.839 1.00 0.00 C ATOM 832 CD1 TRP A 471 47.468 19.907 -7.009 1.00 0.00 C ATOM 833 CD2 TRP A 471 47.000 19.228 -9.088 1.00 0.00 C ATOM 834 NE1 TRP A 471 46.846 20.939 -7.656 1.00 0.00 N ATOM 835 CE2 TRP A 471 46.550 20.553 -8.932 1.00 0.00 C ATOM 836 CE3 TRP A 471 46.818 18.595 -10.316 1.00 0.00 C ATOM 837 CZ2 TRP A 471 45.929 21.254 -9.961 1.00 0.00 C ATOM 838 CZ3 TRP A 471 46.205 19.292 -11.336 1.00 0.00 C ATOM 839 CH2 TRP A 471 45.767 20.609 -11.153 1.00 0.00 C ATOM 0 H TRP A 471 45.768 17.130 -7.287 1.00 0.00 H new ATOM 0 HA TRP A 471 47.964 15.727 -6.308 1.00 0.00 H new ATOM 0 HB2 TRP A 471 49.265 17.637 -7.325 1.00 0.00 H new ATOM 0 HB3 TRP A 471 48.131 16.852 -8.406 1.00 0.00 H new ATOM 0 HD1 TRP A 471 47.821 19.941 -5.989 1.00 0.00 H new ATOM 0 HE1 TRP A 471 46.637 21.851 -7.250 1.00 0.00 H new ATOM 0 HE3 TRP A 471 47.150 17.578 -10.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 45.588 22.269 -9.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 46.060 18.813 -12.293 1.00 0.00 H new ATOM 0 HH2 TRP A 471 45.291 21.126 -11.973 1.00 0.00 H new ATOM 850 N THR A 472 49.030 16.931 -4.430 1.00 0.00 N ATOM 851 CA THR A 472 49.571 17.546 -3.245 1.00 0.00 C ATOM 852 C THR A 472 50.699 18.478 -3.663 1.00 0.00 C ATOM 853 O THR A 472 51.406 19.039 -2.836 1.00 0.00 O ATOM 854 CB THR A 472 50.088 16.480 -2.236 1.00 0.00 C ATOM 855 OG1 THR A 472 50.540 17.111 -1.025 1.00 0.00 O ATOM 856 CG2 THR A 472 51.225 15.664 -2.835 1.00 0.00 C ATOM 0 H THR A 472 49.539 16.107 -4.751 1.00 0.00 H new ATOM 0 HA THR A 472 48.786 18.108 -2.740 1.00 0.00 H new ATOM 0 HB THR A 472 49.258 15.811 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 472 51.006 17.945 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 472 51.566 14.927 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 472 50.873 15.153 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 472 52.051 16.326 -3.095 1.00 0.00 H new ATOM 864 N ARG A 473 50.860 18.609 -4.992 1.00 0.00 N ATOM 865 CA ARG A 473 51.884 19.453 -5.623 1.00 0.00 C ATOM 866 C ARG A 473 53.290 18.886 -5.442 1.00 0.00 C ATOM 867 O ARG A 473 54.139 19.032 -6.311 1.00 0.00 O ATOM 868 CB ARG A 473 51.792 20.910 -5.159 1.00 0.00 C ATOM 869 CG ARG A 473 50.517 21.589 -5.623 1.00 0.00 C ATOM 870 CD ARG A 473 50.521 23.074 -5.334 1.00 0.00 C ATOM 871 NE ARG A 473 49.379 23.733 -5.965 1.00 0.00 N ATOM 872 CZ ARG A 473 49.476 24.701 -6.882 1.00 0.00 C ATOM 873 NH1 ARG A 473 50.667 25.181 -7.235 1.00 0.00 N ATOM 874 NH2 ARG A 473 48.379 25.194 -7.439 1.00 0.00 N ATOM 0 H ARG A 473 50.271 18.122 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 473 51.678 19.446 -6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 473 51.843 20.945 -4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 473 52.652 21.463 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 473 50.392 21.430 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 473 49.662 21.127 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 473 50.491 23.239 -4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 473 51.448 23.517 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 473 48.444 23.434 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 473 51.514 24.810 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 473 50.732 25.920 -7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 473 47.464 24.835 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 473 48.450 25.933 -8.139 1.00 0.00 H new ATOM 888 N ASP A 474 53.526 18.229 -4.324 1.00 0.00 N ATOM 889 CA ASP A 474 54.791 17.551 -4.092 1.00 0.00 C ATOM 890 C ASP A 474 54.918 16.364 -5.044 1.00 0.00 C ATOM 891 O ASP A 474 56.014 15.986 -5.447 1.00 0.00 O ATOM 892 CB ASP A 474 54.896 17.085 -2.642 1.00 0.00 C ATOM 893 CG ASP A 474 56.190 16.354 -2.361 1.00 0.00 C ATOM 894 OD1 ASP A 474 57.236 17.012 -2.240 1.00 0.00 O ATOM 895 OD2 ASP A 474 56.167 15.110 -2.254 1.00 0.00 O ATOM 0 H ASP A 474 52.857 18.149 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 474 55.606 18.250 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 474 54.819 17.947 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 474 54.055 16.430 -2.412 1.00 0.00 H new ATOM 900 N CYS A 475 53.775 15.785 -5.414 1.00 0.00 N ATOM 901 CA CYS A 475 53.751 14.680 -6.355 1.00 0.00 C ATOM 902 C CYS A 475 53.482 15.192 -7.768 1.00 0.00 C ATOM 903 O CYS A 475 53.388 14.413 -8.726 1.00 0.00 O ATOM 904 CB CYS A 475 52.708 13.637 -5.945 1.00 0.00 C ATOM 905 SG CYS A 475 50.970 14.198 -6.010 1.00 0.00 S ATOM 0 H CYS A 475 52.856 16.068 -5.072 1.00 0.00 H new ATOM 0 HA CYS A 475 54.728 14.197 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 475 52.815 12.767 -6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 475 52.928 13.308 -4.929 1.00 0.00 H new ATOM 0 HG CYS A 475 50.273 13.369 -6.729 1.00 0.00 H new ATOM 910 N MET A 476 53.367 16.508 -7.895 1.00 0.00 N ATOM 911 CA MET A 476 53.135 17.142 -9.181 1.00 0.00 C ATOM 912 C MET A 476 54.392 17.066 -10.027 1.00 0.00 C ATOM 913 O MET A 476 55.362 17.789 -9.797 1.00 0.00 O ATOM 914 CB MET A 476 52.686 18.600 -8.994 1.00 0.00 C ATOM 915 CG MET A 476 52.620 19.411 -10.276 1.00 0.00 C ATOM 916 SD MET A 476 52.003 21.090 -10.015 1.00 0.00 S ATOM 917 CE MET A 476 50.302 20.767 -9.556 1.00 0.00 C ATOM 0 H MET A 476 53.432 17.160 -7.113 1.00 0.00 H new ATOM 0 HA MET A 476 52.335 16.611 -9.697 1.00 0.00 H new ATOM 0 HB2 MET A 476 51.702 18.606 -8.525 1.00 0.00 H new ATOM 0 HB3 MET A 476 53.371 19.092 -8.304 1.00 0.00 H new ATOM 0 HG2 MET A 476 53.614 19.460 -10.721 1.00 0.00 H new ATOM 0 HG3 MET A 476 51.975 18.899 -10.991 1.00 0.00 H new ATOM 0 HE1 MET A 476 49.764 21.711 -9.467 1.00 0.00 H new ATOM 0 HE2 MET A 476 49.830 20.150 -10.320 1.00 0.00 H new ATOM 0 HE3 MET A 476 50.276 20.243 -8.600 1.00 0.00 H new ATOM 927 N GLY A 477 54.373 16.176 -10.990 1.00 0.00 N ATOM 928 CA GLY A 477 55.528 15.957 -11.821 1.00 0.00 C ATOM 929 C GLY A 477 56.148 14.616 -11.532 1.00 0.00 C ATOM 930 O GLY A 477 57.044 14.168 -12.237 1.00 0.00 O ATOM 0 H GLY A 477 53.568 15.592 -11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 477 55.242 16.011 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 477 56.260 16.746 -11.649 1.00 0.00 H new ATOM 934 N ALA A 478 55.649 13.966 -10.489 1.00 0.00 N ATOM 935 CA ALA A 478 56.140 12.663 -10.085 1.00 0.00 C ATOM 936 C ALA A 478 55.157 11.566 -10.484 1.00 0.00 C ATOM 937 O ALA A 478 55.356 10.388 -10.164 1.00 0.00 O ATOM 938 CB ALA A 478 56.384 12.639 -8.587 1.00 0.00 C ATOM 0 H ALA A 478 54.896 14.328 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 478 57.083 12.475 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 478 56.753 11.656 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 478 57.124 13.396 -8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 478 55.451 12.848 -8.063 1.00 0.00 H new ATOM 944 N HIS A 479 54.090 11.954 -11.171 1.00 0.00 N ATOM 945 CA HIS A 479 53.093 10.993 -11.628 1.00 0.00 C ATOM 946 C HIS A 479 52.805 11.163 -13.102 1.00 0.00 C ATOM 947 O HIS A 479 53.068 10.261 -13.882 1.00 0.00 O ATOM 948 CB HIS A 479 51.766 11.125 -10.867 1.00 0.00 C ATOM 949 CG HIS A 479 51.816 10.804 -9.408 1.00 0.00 C ATOM 950 ND1 HIS A 479 52.005 9.544 -8.901 1.00 0.00 N ATOM 951 CD2 HIS A 479 51.644 11.609 -8.347 1.00 0.00 C ATOM 952 CE1 HIS A 479 51.935 9.625 -7.562 1.00 0.00 C ATOM 953 NE2 HIS A 479 51.714 10.867 -7.176 1.00 0.00 N ATOM 0 H HIS A 479 53.893 12.922 -11.423 1.00 0.00 H new ATOM 0 HA HIS A 479 53.519 10.008 -11.437 1.00 0.00 H new ATOM 0 HB2 HIS A 479 51.403 12.146 -10.982 1.00 0.00 H new ATOM 0 HB3 HIS A 479 51.032 10.471 -11.338 1.00 0.00 H new ATOM 0 HD2 HIS A 479 51.476 12.675 -8.397 1.00 0.00 H new ATOM 0 HE1 HIS A 479 52.045 8.786 -6.891 1.00 0.00 H new ATOM 0 HE2 HIS A 479 51.616 11.209 -6.220 1.00 0.00 H new ATOM 961 N TRP A 480 52.265 12.363 -13.449 1.00 0.00 N ATOM 962 CA TRP A 480 51.780 12.738 -14.809 1.00 0.00 C ATOM 963 C TRP A 480 52.223 11.770 -15.905 1.00 0.00 C ATOM 964 O TRP A 480 51.394 11.087 -16.505 1.00 0.00 O ATOM 965 CB TRP A 480 52.204 14.165 -15.177 1.00 0.00 C ATOM 966 CG TRP A 480 51.945 15.219 -14.116 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.671 16.359 -13.936 1.00 0.00 C ATOM 968 CD2 TRP A 480 50.904 15.248 -13.100 1.00 0.00 C ATOM 969 NE1 TRP A 480 52.168 17.092 -12.893 1.00 0.00 N ATOM 970 CE2 TRP A 480 51.087 16.438 -12.362 1.00 0.00 C ATOM 971 CE3 TRP A 480 49.844 14.394 -12.740 1.00 0.00 C ATOM 972 CZ2 TRP A 480 50.255 16.793 -11.295 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.031 14.756 -11.690 1.00 0.00 C ATOM 974 CH2 TRP A 480 49.239 15.940 -10.980 1.00 0.00 C ATOM 0 H TRP A 480 52.151 13.118 -12.773 1.00 0.00 H new ATOM 0 HA TRP A 480 50.693 12.682 -14.753 1.00 0.00 H new ATOM 0 HB2 TRP A 480 53.269 14.161 -15.407 1.00 0.00 H new ATOM 0 HB3 TRP A 480 51.682 14.456 -16.089 1.00 0.00 H new ATOM 0 HD1 TRP A 480 53.524 16.645 -14.533 1.00 0.00 H new ATOM 0 HE1 TRP A 480 52.539 17.983 -12.564 1.00 0.00 H new ATOM 0 HE3 TRP A 480 49.672 13.473 -13.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 50.411 17.707 -10.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 48.213 14.109 -11.409 1.00 0.00 H new ATOM 0 HH2 TRP A 480 48.579 16.186 -10.161 1.00 0.00 H new ATOM 985 N PHE A 481 53.511 11.715 -16.164 1.00 0.00 N ATOM 986 CA PHE A 481 54.034 10.777 -17.130 1.00 0.00 C ATOM 987 C PHE A 481 55.411 10.303 -16.707 1.00 0.00 C ATOM 988 O PHE A 481 56.426 10.917 -17.045 1.00 0.00 O ATOM 989 CB PHE A 481 54.076 11.377 -18.539 1.00 0.00 C ATOM 990 CG PHE A 481 54.334 10.354 -19.610 1.00 0.00 C ATOM 991 CD1 PHE A 481 53.312 9.532 -20.055 1.00 0.00 C ATOM 992 CD2 PHE A 481 55.594 10.208 -20.169 1.00 0.00 C ATOM 993 CE1 PHE A 481 53.539 8.586 -21.035 1.00 0.00 C ATOM 994 CE2 PHE A 481 55.826 9.263 -21.150 1.00 0.00 C ATOM 995 CZ PHE A 481 54.797 8.451 -21.583 1.00 0.00 C ATOM 0 H PHE A 481 54.213 12.307 -15.720 1.00 0.00 H new ATOM 0 HA PHE A 481 53.360 9.921 -17.163 1.00 0.00 H new ATOM 0 HB2 PHE A 481 53.129 11.876 -18.743 1.00 0.00 H new ATOM 0 HB3 PHE A 481 54.853 12.140 -18.579 1.00 0.00 H new ATOM 0 HD1 PHE A 481 52.324 9.632 -19.630 1.00 0.00 H new ATOM 0 HD2 PHE A 481 56.403 10.840 -19.834 1.00 0.00 H new ATOM 0 HE1 PHE A 481 52.732 7.952 -21.372 1.00 0.00 H new ATOM 0 HE2 PHE A 481 56.812 9.160 -21.578 1.00 0.00 H new ATOM 0 HZ PHE A 481 54.977 7.712 -22.349 1.00 0.00 H new ATOM 1005 N GLY A 482 55.439 9.237 -15.936 1.00 0.00 N ATOM 1006 CA GLY A 482 56.690 8.691 -15.488 1.00 0.00 C ATOM 1007 C GLY A 482 57.193 7.625 -16.424 1.00 0.00 C ATOM 1008 O GLY A 482 58.421 7.468 -16.552 1.00 0.00 O ATOM 1009 OXT GLY A 482 56.362 6.932 -17.040 1.00 0.00 O ATOM 0 H GLY A 482 54.611 8.738 -15.611 1.00 0.00 H new ATOM 0 HA2 GLY A 482 57.430 9.488 -15.411 1.00 0.00 H new ATOM 0 HA3 GLY A 482 56.569 8.272 -14.489 1.00 0.00 H new