USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 470 GLN :FLIP amide:sc= 1.19 F(o=0.77,f=1.9) USER MOD Set 1.2: A 475 GLN : amide:sc= 0.725 K(o=1.9,f=0.77) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -3.14 K(o=-3.1,f=-6.5!) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -0.0475 F(o=-0.59,f=-0.047) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.75! C(o=-2.7!,f=-9.2!) USER MOD Single : A 432 THR OG1 : rot -77:sc= -5.99! USER MOD Single : A 435 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 439 GLN : amide:sc=-0.00291 K(o=-0.0029,f=-1.3) USER MOD Single : A 442 GLN :FLIP amide:sc= -1.83 F(o=-4.2!,f=-1.8) USER MOD Single : A 444 TYR OH : rot 112:sc= -0.816! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.218! USER MOD Single : A 454 ASN : amide:sc= -5.08! C(o=-5.1!,f=-23!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -1.53! X(o=-1.5!,f=-1.6) USER MOD Single : A 462 GLN : amide:sc= -0.867 K(o=-0.87,f=-1.8!) USER MOD Single : A 463 ASN :FLIP amide:sc= -11.1! C(o=-14!,f=-11!) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= -7.11! C(o=-7.6!,f=-7.1!) USER MOD Single : A 490 ASN : amide:sc= -0.0993 X(o=-0.099,f=-0.42) USER MOD Single : A 491 THR OG1 : rot 71:sc= 1.1 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 501 HIS :FLIP no HE2:sc= -0.521 F(o=-2,f=-0.52) USER MOD Single : A 502 ASN : amide:sc= -0.191 K(o=-0.19,f=-0.97) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2!) USER MOD Single : A 513 GLN : amide:sc= -0.482 K(o=-0.48,f=-3.4) USER MOD Single : A 516 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 1.242 34.848 6.032 1.00 0.00 N ATOM 19 CA ASP A 412 0.041 34.415 6.726 1.00 0.00 C ATOM 20 C ASP A 412 0.437 33.660 7.997 1.00 0.00 C ATOM 21 O ASP A 412 1.623 33.504 8.286 1.00 0.00 O ATOM 22 CB ASP A 412 -0.789 33.470 5.855 1.00 0.00 C ATOM 23 CG ASP A 412 -2.249 33.312 6.283 1.00 0.00 C ATOM 24 OD1 ASP A 412 -2.993 34.298 6.393 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.621 32.098 6.510 1.00 0.00 O ATOM 0 HA ASP A 412 -0.550 35.300 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.764 33.832 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.317 32.488 5.859 1.00 0.00 H new ATOM 31 N VAL A 413 -0.577 33.213 8.722 1.00 0.00 N ATOM 32 CA VAL A 413 -0.349 32.479 9.955 1.00 0.00 C ATOM 33 C VAL A 413 -0.134 30.998 9.629 1.00 0.00 C ATOM 34 O VAL A 413 -0.654 30.495 8.635 1.00 0.00 O ATOM 35 CB VAL A 413 -1.506 32.714 10.926 1.00 0.00 C ATOM 36 CG1 VAL A 413 -2.543 31.594 10.825 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.998 32.862 12.362 1.00 0.00 C ATOM 0 H VAL A 413 -1.559 33.345 8.479 1.00 0.00 H new ATOM 0 HA VAL A 413 0.552 32.838 10.452 1.00 0.00 H new ATOM 0 HB VAL A 413 -1.992 33.648 10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.355 31.786 11.526 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -2.941 31.557 9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.073 30.640 11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -1.842 33.028 13.031 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.474 31.953 12.658 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.316 33.710 12.421 1.00 0.00 H new ATOM 47 N ASP A 414 0.635 30.342 10.487 1.00 0.00 N ATOM 48 CA ASP A 414 0.925 28.932 10.304 1.00 0.00 C ATOM 49 C ASP A 414 -0.104 28.099 11.069 1.00 0.00 C ATOM 50 O ASP A 414 0.185 27.586 12.149 1.00 0.00 O ATOM 51 CB ASP A 414 2.313 28.580 10.843 1.00 0.00 C ATOM 52 CG ASP A 414 2.763 27.141 10.584 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.963 26.830 10.624 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.810 26.310 10.329 1.00 0.00 O ATOM 0 H ASP A 414 1.065 30.763 11.311 1.00 0.00 H new ATOM 0 HA ASP A 414 0.888 28.717 9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 414 3.041 29.258 10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.325 28.760 11.918 1.00 0.00 H new ATOM 60 N GLU A 415 -1.286 27.990 10.479 1.00 0.00 N ATOM 61 CA GLU A 415 -2.361 27.229 11.091 1.00 0.00 C ATOM 62 C GLU A 415 -1.903 25.797 11.374 1.00 0.00 C ATOM 63 O GLU A 415 -2.524 25.087 12.163 1.00 0.00 O ATOM 64 CB GLU A 415 -3.612 27.241 10.211 1.00 0.00 C ATOM 65 CG GLU A 415 -4.090 28.672 9.958 1.00 0.00 C ATOM 66 CD GLU A 415 -3.915 29.056 8.488 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.864 28.175 7.618 1.00 0.00 O ATOM 68 OE2 GLU A 415 -3.829 30.323 8.262 1.00 0.00 O ATOM 0 H GLU A 415 -1.522 28.417 9.583 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.620 27.701 12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.397 26.752 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.405 26.668 10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.139 28.764 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.529 29.363 10.587 1.00 0.00 H new ATOM 76 N CYS A 416 -0.820 25.415 10.714 1.00 0.00 N ATOM 77 CA CYS A 416 -0.272 24.080 10.885 1.00 0.00 C ATOM 78 C CYS A 416 0.588 24.072 12.150 1.00 0.00 C ATOM 79 O CYS A 416 0.907 23.009 12.683 1.00 0.00 O ATOM 80 CB CYS A 416 0.519 23.632 9.655 1.00 0.00 C ATOM 81 SG CYS A 416 -0.296 22.344 8.643 1.00 0.00 S ATOM 0 H CYS A 416 -0.307 26.006 10.060 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.085 23.362 10.995 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.708 24.502 9.026 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.489 23.257 9.981 1.00 0.00 H new ATOM 86 N SER A 417 0.940 25.269 12.596 1.00 0.00 N ATOM 87 CA SER A 417 1.756 25.413 13.789 1.00 0.00 C ATOM 88 C SER A 417 0.887 25.855 14.967 1.00 0.00 C ATOM 89 O SER A 417 1.242 25.630 16.124 1.00 0.00 O ATOM 90 CB SER A 417 2.891 26.414 13.562 1.00 0.00 C ATOM 91 OG SER A 417 3.821 26.420 14.642 1.00 0.00 O ATOM 0 H SER A 417 0.675 26.148 12.152 1.00 0.00 H new ATOM 0 HA SER A 417 2.202 24.445 14.018 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.412 26.168 12.636 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.474 27.413 13.437 1.00 0.00 H new ATOM 0 HG SER A 417 4.531 27.070 14.459 1.00 0.00 H new ATOM 97 N LEU A 418 -0.235 26.475 14.635 1.00 0.00 N ATOM 98 CA LEU A 418 -1.158 26.951 15.651 1.00 0.00 C ATOM 99 C LEU A 418 -1.735 25.755 16.410 1.00 0.00 C ATOM 100 O LEU A 418 -1.297 25.445 17.517 1.00 0.00 O ATOM 101 CB LEU A 418 -2.223 27.855 15.028 1.00 0.00 C ATOM 102 CG LEU A 418 -1.776 29.278 14.685 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.314 29.707 13.318 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.172 30.259 15.790 1.00 0.00 C ATOM 0 H LEU A 418 -0.526 26.659 13.675 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.635 27.570 16.380 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.587 27.380 14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.067 27.916 15.715 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.688 29.288 14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -1.982 30.722 13.098 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -1.940 29.029 12.551 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.404 29.676 13.330 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.842 31.263 15.521 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.255 30.253 15.911 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.701 29.961 16.727 1.00 0.00 H new ATOM 116 N GLY A 419 -2.711 25.112 15.783 1.00 0.00 N ATOM 117 CA GLY A 419 -3.352 23.955 16.385 1.00 0.00 C ATOM 118 C GLY A 419 -4.253 23.240 15.375 1.00 0.00 C ATOM 119 O GLY A 419 -5.246 22.621 15.754 1.00 0.00 O ATOM 0 H GLY A 419 -3.073 25.371 14.865 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -2.593 23.265 16.753 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -3.942 24.269 17.246 1.00 0.00 H new ATOM 123 N ALA A 420 -3.873 23.351 14.111 1.00 0.00 N ATOM 124 CA ALA A 420 -4.634 22.723 13.044 1.00 0.00 C ATOM 125 C ALA A 420 -3.702 21.843 12.208 1.00 0.00 C ATOM 126 O ALA A 420 -3.268 22.240 11.129 1.00 0.00 O ATOM 127 CB ALA A 420 -5.324 23.801 12.206 1.00 0.00 C ATOM 0 H ALA A 420 -3.049 23.866 13.802 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.413 22.081 13.455 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.895 23.330 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -5.997 24.379 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.573 24.463 11.775 1.00 0.00 H new ATOM 133 N ASN A 421 -3.420 20.663 12.742 1.00 0.00 N ATOM 134 CA ASN A 421 -2.546 19.722 12.058 1.00 0.00 C ATOM 135 C ASN A 421 -3.368 18.522 11.586 1.00 0.00 C ATOM 136 O ASN A 421 -3.736 17.663 12.386 1.00 0.00 O ATOM 137 CB ASN A 421 -1.452 19.207 12.995 1.00 0.00 C ATOM 138 CG ASN A 421 -0.253 18.684 12.202 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.764 19.342 12.055 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.430 17.465 11.698 1.00 0.00 N ATOM 0 H ASN A 421 -3.780 20.337 13.639 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.086 20.239 11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.131 20.009 13.660 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.852 18.412 13.624 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.311 17.027 11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -1.307 16.969 11.859 1.00 0.00 H new ATOM 147 N PRO A 422 -3.637 18.498 10.253 1.00 0.00 N ATOM 148 CA PRO A 422 -4.408 17.417 9.664 1.00 0.00 C ATOM 149 C PRO A 422 -3.569 16.144 9.550 1.00 0.00 C ATOM 150 O PRO A 422 -4.106 15.037 9.562 1.00 0.00 O ATOM 151 CB PRO A 422 -4.865 17.949 8.315 1.00 0.00 C ATOM 152 CG PRO A 422 -3.953 19.123 7.999 1.00 0.00 C ATOM 153 CD PRO A 422 -3.217 19.498 9.276 1.00 0.00 C ATOM 0 HA PRO A 422 -5.264 17.130 10.275 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.791 17.180 7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.908 18.264 8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.245 18.856 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.533 19.969 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.137 19.480 9.130 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.478 20.505 9.602 1.00 0.00 H new ATOM 161 N CYS A 423 -2.262 16.342 9.445 1.00 0.00 N ATOM 162 CA CYS A 423 -1.343 15.222 9.330 1.00 0.00 C ATOM 163 C CYS A 423 -1.232 14.549 10.701 1.00 0.00 C ATOM 164 O CYS A 423 -0.131 14.262 11.167 1.00 0.00 O ATOM 165 CB CYS A 423 0.023 15.665 8.799 1.00 0.00 C ATOM 166 SG CYS A 423 0.158 17.449 8.422 1.00 0.00 S ATOM 0 H CYS A 423 -1.819 17.261 9.437 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.727 14.505 8.605 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.785 15.405 9.534 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.246 15.099 7.895 1.00 0.00 H new ATOM 171 N GLU A 424 -2.388 14.317 11.305 1.00 0.00 N ATOM 172 CA GLU A 424 -2.434 13.684 12.611 1.00 0.00 C ATOM 173 C GLU A 424 -1.146 13.969 13.386 1.00 0.00 C ATOM 174 O GLU A 424 -0.928 15.089 13.844 1.00 0.00 O ATOM 175 CB GLU A 424 -2.674 12.178 12.482 1.00 0.00 C ATOM 176 CG GLU A 424 -4.111 11.886 12.041 1.00 0.00 C ATOM 177 CD GLU A 424 -5.072 11.946 13.230 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.864 12.745 14.155 1.00 0.00 O ATOM 179 OE2 GLU A 424 -6.064 11.125 13.170 1.00 0.00 O ATOM 0 H GLU A 424 -3.299 14.556 10.914 1.00 0.00 H new ATOM 0 HA GLU A 424 -3.270 14.106 13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.975 11.756 11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.477 11.692 13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.417 12.609 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -4.160 10.900 11.578 1.00 0.00 H new ATOM 187 N HIS A 425 -0.326 12.935 13.509 1.00 0.00 N ATOM 188 CA HIS A 425 0.935 13.059 14.221 1.00 0.00 C ATOM 189 C HIS A 425 2.060 12.450 13.383 1.00 0.00 C ATOM 190 O HIS A 425 3.187 12.313 13.855 1.00 0.00 O ATOM 191 CB HIS A 425 0.834 12.442 15.617 1.00 0.00 C ATOM 192 CG HIS A 425 -0.112 13.170 16.542 1.00 0.00 C ATOM 193 ND1 HIS A 425 -1.466 13.324 16.491 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 0.315 13.841 17.674 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -1.846 14.048 17.536 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 -0.743 14.370 18.271 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.511 12.007 13.127 1.00 0.00 H new ATOM 0 HA HIS A 425 1.170 14.113 14.370 1.00 0.00 H new ATOM 0 HB2 HIS A 425 0.509 11.406 15.523 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.826 12.425 16.068 1.00 0.00 H new ATOM 0 HD2 HIS A 425 1.337 13.920 18.013 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -2.861 14.335 17.767 1.00 0.00 H new ATOM 0 HE2 HIS A 425 -0.734 14.921 19.129 1.00 0.00 H new ATOM 204 N ALA A 426 1.715 12.101 12.152 1.00 0.00 N ATOM 205 CA ALA A 426 2.682 11.508 11.243 1.00 0.00 C ATOM 206 C ALA A 426 2.519 12.132 9.855 1.00 0.00 C ATOM 207 O ALA A 426 1.889 11.544 8.977 1.00 0.00 O ATOM 208 CB ALA A 426 2.503 9.989 11.225 1.00 0.00 C ATOM 0 H ALA A 426 0.779 12.217 11.763 1.00 0.00 H new ATOM 0 HA ALA A 426 3.699 11.711 11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.228 9.545 10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.658 9.592 12.228 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.495 9.745 10.891 1.00 0.00 H new ATOM 214 N GLY A 427 3.097 13.313 9.699 1.00 0.00 N ATOM 215 CA GLY A 427 3.024 14.022 8.433 1.00 0.00 C ATOM 216 C GLY A 427 3.771 15.355 8.506 1.00 0.00 C ATOM 217 O GLY A 427 4.429 15.647 9.503 1.00 0.00 O ATOM 0 H GLY A 427 3.619 13.798 10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.450 13.405 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 427 1.981 14.200 8.171 1.00 0.00 H new ATOM 221 N LYS A 428 3.643 16.127 7.438 1.00 0.00 N ATOM 222 CA LYS A 428 4.299 17.423 7.369 1.00 0.00 C ATOM 223 C LYS A 428 3.241 18.527 7.414 1.00 0.00 C ATOM 224 O LYS A 428 2.224 18.447 6.726 1.00 0.00 O ATOM 225 CB LYS A 428 5.213 17.497 6.144 1.00 0.00 C ATOM 226 CG LYS A 428 6.386 18.445 6.392 1.00 0.00 C ATOM 227 CD LYS A 428 7.685 17.665 6.609 1.00 0.00 C ATOM 228 CE LYS A 428 8.596 17.767 5.384 1.00 0.00 C ATOM 229 NZ LYS A 428 9.690 18.734 5.630 1.00 0.00 N ATOM 0 H LYS A 428 3.095 15.881 6.613 1.00 0.00 H new ATOM 0 HA LYS A 428 4.949 17.567 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.589 16.502 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 428 4.642 17.837 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.500 19.119 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.179 19.064 7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.204 18.052 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.456 16.619 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 428 9.014 16.787 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 428 8.015 18.079 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.299 18.791 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.286 19.672 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 10.254 18.420 6.445 1.00 0.00 H new ATOM 242 N CYS A 429 3.517 19.534 8.231 1.00 0.00 N ATOM 243 CA CYS A 429 2.603 20.653 8.375 1.00 0.00 C ATOM 244 C CYS A 429 3.373 21.943 8.088 1.00 0.00 C ATOM 245 O CYS A 429 4.231 22.346 8.871 1.00 0.00 O ATOM 246 CB CYS A 429 1.947 20.675 9.757 1.00 0.00 C ATOM 247 SG CYS A 429 0.121 20.774 9.739 1.00 0.00 S ATOM 0 H CYS A 429 4.361 19.597 8.800 1.00 0.00 H new ATOM 0 HA CYS A 429 1.786 20.552 7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.243 19.776 10.298 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.337 21.526 10.315 1.00 0.00 H new ATOM 252 N ILE A 430 3.039 22.557 6.962 1.00 0.00 N ATOM 253 CA ILE A 430 3.689 23.795 6.562 1.00 0.00 C ATOM 254 C ILE A 430 2.668 24.934 6.590 1.00 0.00 C ATOM 255 O ILE A 430 1.469 24.696 6.722 1.00 0.00 O ATOM 256 CB ILE A 430 4.382 23.623 5.210 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.052 22.261 4.593 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.890 23.844 5.333 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.666 21.124 5.413 1.00 0.00 C ATOM 0 H ILE A 430 2.327 22.221 6.314 1.00 0.00 H new ATOM 0 HA ILE A 430 4.478 24.057 7.267 1.00 0.00 H new ATOM 0 HB ILE A 430 3.999 24.386 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.971 22.134 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.427 22.220 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.357 23.715 4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.081 24.854 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.308 23.121 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.416 20.168 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.749 21.241 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.270 21.153 6.428 1.00 0.00 H new ATOM 271 N ASN A 431 3.182 26.148 6.465 1.00 0.00 N ATOM 272 CA ASN A 431 2.331 27.325 6.473 1.00 0.00 C ATOM 273 C ASN A 431 2.248 27.902 5.058 1.00 0.00 C ATOM 274 O ASN A 431 3.258 27.998 4.363 1.00 0.00 O ATOM 275 CB ASN A 431 2.899 28.409 7.391 1.00 0.00 C ATOM 276 CG ASN A 431 2.164 29.736 7.194 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.087 29.800 6.625 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.803 30.790 7.694 1.00 0.00 N ATOM 0 H ASN A 431 4.178 26.342 6.358 1.00 0.00 H new ATOM 0 HA ASN A 431 1.347 27.025 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.812 28.092 8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.961 28.544 7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 431 2.393 31.721 7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.703 30.668 8.159 1.00 0.00 H new ATOM 285 N THR A 432 1.035 28.267 4.672 1.00 0.00 N ATOM 286 CA THR A 432 0.807 28.830 3.353 1.00 0.00 C ATOM 287 C THR A 432 0.050 30.155 3.461 1.00 0.00 C ATOM 288 O THR A 432 -0.424 30.517 4.537 1.00 0.00 O ATOM 289 CB THR A 432 0.078 27.781 2.510 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.302 26.783 3.453 1.00 0.00 O ATOM 291 CG2 THR A 432 1.016 27.047 1.548 1.00 0.00 C ATOM 0 H THR A 432 0.199 28.184 5.250 1.00 0.00 H new ATOM 0 HA THR A 432 1.748 29.069 2.858 1.00 0.00 H new ATOM 0 HB THR A 432 -0.720 28.261 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 432 0.477 26.234 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.448 26.314 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.474 27.765 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.795 26.538 2.116 1.00 0.00 H new ATOM 299 N LEU A 433 -0.041 30.842 2.332 1.00 0.00 N ATOM 300 CA LEU A 433 -0.732 32.119 2.286 1.00 0.00 C ATOM 301 C LEU A 433 -2.244 31.877 2.313 1.00 0.00 C ATOM 302 O LEU A 433 -2.778 31.172 1.461 1.00 0.00 O ATOM 303 CB LEU A 433 -0.263 32.941 1.083 1.00 0.00 C ATOM 304 CG LEU A 433 0.793 34.009 1.373 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.393 34.553 0.074 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.218 35.125 2.249 1.00 0.00 C ATOM 0 H LEU A 433 0.353 30.538 1.441 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.487 32.716 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 433 0.136 32.257 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.132 33.428 0.639 1.00 0.00 H new ATOM 0 HG LEU A 433 1.604 33.544 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 433 2.141 35.311 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.862 33.739 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.604 34.997 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.989 35.871 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -0.622 35.594 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.123 34.705 3.195 1.00 0.00 H new ATOM 318 N GLY A 434 -2.889 32.477 3.303 1.00 0.00 N ATOM 319 CA GLY A 434 -4.327 32.336 3.453 1.00 0.00 C ATOM 320 C GLY A 434 -4.679 31.025 4.160 1.00 0.00 C ATOM 321 O GLY A 434 -5.516 31.007 5.060 1.00 0.00 O ATOM 0 H GLY A 434 -2.442 33.062 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -4.721 33.178 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.803 32.364 2.473 1.00 0.00 H new ATOM 325 N SER A 435 -4.019 29.960 3.727 1.00 0.00 N ATOM 326 CA SER A 435 -4.251 28.649 4.307 1.00 0.00 C ATOM 327 C SER A 435 -2.916 27.966 4.608 1.00 0.00 C ATOM 328 O SER A 435 -1.858 28.474 4.239 1.00 0.00 O ATOM 329 CB SER A 435 -5.097 27.777 3.378 1.00 0.00 C ATOM 330 OG SER A 435 -5.589 26.615 4.037 1.00 0.00 O ATOM 0 H SER A 435 -3.324 29.979 2.981 1.00 0.00 H new ATOM 0 HA SER A 435 -4.802 28.780 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 435 -5.936 28.360 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 435 -4.499 27.479 2.517 1.00 0.00 H new ATOM 0 HG SER A 435 -6.126 26.086 3.410 1.00 0.00 H new ATOM 336 N PHE A 436 -3.008 26.825 5.275 1.00 0.00 N ATOM 337 CA PHE A 436 -1.820 26.068 5.630 1.00 0.00 C ATOM 338 C PHE A 436 -1.671 24.833 4.739 1.00 0.00 C ATOM 339 O PHE A 436 -2.661 24.302 4.236 1.00 0.00 O ATOM 340 CB PHE A 436 -1.995 25.615 7.081 1.00 0.00 C ATOM 341 CG PHE A 436 -3.009 24.484 7.263 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.670 23.208 6.940 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.250 24.756 7.749 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.611 22.159 7.109 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.192 23.706 7.918 1.00 0.00 C ATOM 346 CZ PHE A 436 -4.852 22.430 7.594 1.00 0.00 C ATOM 0 H PHE A 436 -3.887 26.406 5.579 1.00 0.00 H new ATOM 0 HA PHE A 436 -0.932 26.687 5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.029 25.289 7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.307 26.469 7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.684 22.992 6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -4.519 25.770 8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.341 21.145 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.178 23.921 8.304 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.568 21.632 7.722 1.00 0.00 H new ATOM 356 N GLU A 437 -0.426 24.413 4.568 1.00 0.00 N ATOM 357 CA GLU A 437 -0.135 23.250 3.745 1.00 0.00 C ATOM 358 C GLU A 437 0.374 22.098 4.614 1.00 0.00 C ATOM 359 O GLU A 437 1.071 22.325 5.604 1.00 0.00 O ATOM 360 CB GLU A 437 0.872 23.594 2.646 1.00 0.00 C ATOM 361 CG GLU A 437 1.509 22.329 2.069 1.00 0.00 C ATOM 362 CD GLU A 437 1.862 22.518 0.593 1.00 0.00 C ATOM 363 OE1 GLU A 437 3.051 22.562 0.240 1.00 0.00 O ATOM 364 OE2 GLU A 437 0.851 22.619 -0.201 1.00 0.00 O ATOM 0 H GLU A 437 0.393 24.856 4.985 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.058 22.933 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.373 24.149 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.648 24.244 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.408 22.081 2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.822 21.489 2.178 1.00 0.00 H new ATOM 372 N CYS A 438 0.007 20.891 4.215 1.00 0.00 N ATOM 373 CA CYS A 438 0.419 19.703 4.944 1.00 0.00 C ATOM 374 C CYS A 438 0.729 18.599 3.932 1.00 0.00 C ATOM 375 O CYS A 438 -0.108 18.270 3.092 1.00 0.00 O ATOM 376 CB CYS A 438 -0.641 19.268 5.958 1.00 0.00 C ATOM 377 SG CYS A 438 -0.421 17.574 6.618 1.00 0.00 S ATOM 0 H CYS A 438 -0.572 20.709 3.395 1.00 0.00 H new ATOM 0 HA CYS A 438 1.316 19.922 5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.637 19.971 6.791 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.622 19.336 5.489 1.00 0.00 H new ATOM 382 N GLN A 439 1.933 18.058 4.043 1.00 0.00 N ATOM 383 CA GLN A 439 2.363 16.998 3.148 1.00 0.00 C ATOM 384 C GLN A 439 1.875 15.641 3.658 1.00 0.00 C ATOM 385 O GLN A 439 1.653 15.467 4.855 1.00 0.00 O ATOM 386 CB GLN A 439 3.884 17.005 2.982 1.00 0.00 C ATOM 387 CG GLN A 439 4.409 18.430 2.796 1.00 0.00 C ATOM 388 CD GLN A 439 5.890 18.424 2.414 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.433 17.438 1.944 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.512 19.578 2.640 1.00 0.00 N ATOM 0 H GLN A 439 2.625 18.334 4.740 1.00 0.00 H new ATOM 0 HA GLN A 439 1.921 17.176 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.351 16.553 3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.162 16.396 2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.832 18.935 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.270 18.996 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 439 5.998 20.365 3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.503 19.676 2.417 1.00 0.00 H new ATOM 399 N CYS A 440 1.719 14.715 2.724 1.00 0.00 N ATOM 400 CA CYS A 440 1.259 13.378 3.063 1.00 0.00 C ATOM 401 C CYS A 440 2.466 12.558 3.523 1.00 0.00 C ATOM 402 O CYS A 440 3.582 12.772 3.052 1.00 0.00 O ATOM 403 CB CYS A 440 0.532 12.716 1.893 1.00 0.00 C ATOM 404 SG CYS A 440 -1.248 13.119 1.767 1.00 0.00 S ATOM 0 H CYS A 440 1.903 14.864 1.732 1.00 0.00 H new ATOM 0 HA CYS A 440 0.530 13.435 3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 440 1.023 13.010 0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 440 0.640 11.635 1.982 1.00 0.00 H new ATOM 409 N LEU A 441 2.202 11.637 4.438 1.00 0.00 N ATOM 410 CA LEU A 441 3.252 10.785 4.967 1.00 0.00 C ATOM 411 C LEU A 441 3.099 9.376 4.389 1.00 0.00 C ATOM 412 O LEU A 441 2.222 8.622 4.808 1.00 0.00 O ATOM 413 CB LEU A 441 3.256 10.825 6.497 1.00 0.00 C ATOM 414 CG LEU A 441 4.633 10.879 7.162 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.467 9.650 6.797 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.356 12.185 6.821 1.00 0.00 C ATOM 0 H LEU A 441 1.275 11.462 4.826 1.00 0.00 H new ATOM 0 HA LEU A 441 4.231 11.152 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.684 11.695 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.731 9.944 6.865 1.00 0.00 H new ATOM 0 HG LEU A 441 4.491 10.862 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.441 9.714 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.953 8.749 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.603 9.610 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.332 12.198 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.486 12.257 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.765 13.031 7.173 1.00 0.00 H new ATOM 428 N GLN A 442 3.965 9.064 3.436 1.00 0.00 N ATOM 429 CA GLN A 442 3.937 7.759 2.797 1.00 0.00 C ATOM 430 C GLN A 442 2.670 7.610 1.952 1.00 0.00 C ATOM 431 O GLN A 442 2.643 8.011 0.790 1.00 0.00 O ATOM 432 CB GLN A 442 4.041 6.639 3.833 1.00 0.00 C ATOM 433 CG GLN A 442 5.470 6.098 3.914 1.00 0.00 C ATOM 434 CD GLN A 442 6.015 6.202 5.340 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.476 7.409 5.656 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.016 5.250 6.102 1.00 0.00 N flip ATOM 0 H GLN A 442 4.690 9.692 3.091 1.00 0.00 H new ATOM 0 HA GLN A 442 4.801 7.679 2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.734 7.013 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.357 5.832 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.488 5.058 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 442 6.113 6.656 3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.646 4.350 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.386 5.353 7.047 1.00 0.00 H new ATOM 445 N GLY A 443 1.651 7.032 2.569 1.00 0.00 N ATOM 446 CA GLY A 443 0.384 6.823 1.890 1.00 0.00 C ATOM 447 C GLY A 443 -0.777 7.396 2.705 1.00 0.00 C ATOM 448 O GLY A 443 -1.534 6.649 3.323 1.00 0.00 O ATOM 0 H GLY A 443 1.677 6.701 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.412 7.295 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.227 5.757 1.726 1.00 0.00 H new ATOM 452 N TYR A 444 -0.880 8.716 2.681 1.00 0.00 N ATOM 453 CA TYR A 444 -1.937 9.398 3.411 1.00 0.00 C ATOM 454 C TYR A 444 -3.059 9.838 2.469 1.00 0.00 C ATOM 455 O TYR A 444 -2.856 9.939 1.260 1.00 0.00 O ATOM 456 CB TYR A 444 -1.289 10.639 4.029 1.00 0.00 C ATOM 457 CG TYR A 444 -0.988 10.506 5.522 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.252 9.434 5.985 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.451 11.458 6.407 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.033 9.308 7.391 1.00 0.00 C ATOM 461 CE2 TYR A 444 -1.168 11.333 7.814 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.440 10.264 8.236 1.00 0.00 C ATOM 463 OH TYR A 444 -0.172 10.145 9.564 1.00 0.00 O ATOM 0 H TYR A 444 -0.250 9.332 2.168 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.374 8.738 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.361 10.853 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.948 11.494 3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.110 8.689 5.292 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -2.026 12.297 6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.608 8.475 7.766 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.525 12.071 8.517 1.00 0.00 H new ATOM 0 HH TYR A 444 0.441 10.859 9.839 1.00 0.00 H new ATOM 473 N THR A 445 -4.218 10.089 3.057 1.00 0.00 N ATOM 474 CA THR A 445 -5.373 10.515 2.286 1.00 0.00 C ATOM 475 C THR A 445 -5.600 12.020 2.454 1.00 0.00 C ATOM 476 O THR A 445 -4.711 12.821 2.168 1.00 0.00 O ATOM 477 CB THR A 445 -6.570 9.668 2.719 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.682 10.279 2.067 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.886 9.819 4.209 1.00 0.00 C ATOM 0 H THR A 445 -4.383 10.005 4.060 1.00 0.00 H new ATOM 0 HA THR A 445 -5.216 10.358 1.219 1.00 0.00 H new ATOM 0 HB THR A 445 -6.373 8.620 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.502 9.791 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.744 9.197 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 445 -6.023 9.506 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 445 -7.116 10.862 4.428 1.00 0.00 H new ATOM 487 N GLY A 446 -6.796 12.357 2.915 1.00 0.00 N ATOM 488 CA GLY A 446 -7.151 13.751 3.123 1.00 0.00 C ATOM 489 C GLY A 446 -7.640 14.392 1.824 1.00 0.00 C ATOM 490 O GLY A 446 -7.386 13.874 0.738 1.00 0.00 O ATOM 0 H GLY A 446 -7.531 11.690 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.929 13.822 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.286 14.298 3.499 1.00 0.00 H new ATOM 494 N PRO A 447 -8.353 15.540 1.982 1.00 0.00 N ATOM 495 CA PRO A 447 -8.881 16.258 0.834 1.00 0.00 C ATOM 496 C PRO A 447 -7.769 17.008 0.099 1.00 0.00 C ATOM 497 O PRO A 447 -7.823 17.165 -1.121 1.00 0.00 O ATOM 498 CB PRO A 447 -9.944 17.181 1.404 1.00 0.00 C ATOM 499 CG PRO A 447 -9.653 17.287 2.892 1.00 0.00 C ATOM 500 CD PRO A 447 -8.673 16.184 3.253 1.00 0.00 C ATOM 0 HA PRO A 447 -9.310 15.595 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.906 18.161 0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.943 16.781 1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.233 18.264 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.572 17.185 3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.779 16.589 3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -9.114 15.477 3.955 1.00 0.00 H new ATOM 508 N ARG A 448 -6.787 17.452 0.869 1.00 0.00 N ATOM 509 CA ARG A 448 -5.665 18.182 0.305 1.00 0.00 C ATOM 510 C ARG A 448 -4.390 17.339 0.382 1.00 0.00 C ATOM 511 O ARG A 448 -3.361 17.709 -0.181 1.00 0.00 O ATOM 512 CB ARG A 448 -5.439 19.503 1.044 1.00 0.00 C ATOM 513 CG ARG A 448 -6.581 20.485 0.770 1.00 0.00 C ATOM 514 CD ARG A 448 -6.545 20.978 -0.679 1.00 0.00 C ATOM 515 NE ARG A 448 -7.133 22.333 -0.766 1.00 0.00 N ATOM 516 CZ ARG A 448 -8.447 22.599 -0.605 1.00 0.00 C ATOM 517 NH1 ARG A 448 -9.321 21.603 -0.345 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.864 23.847 -0.706 1.00 0.00 N ATOM 0 H ARG A 448 -6.745 17.320 1.880 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.901 18.397 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -5.364 19.317 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.493 19.943 0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -7.537 20.001 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.506 21.334 1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -5.517 20.995 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -7.098 20.291 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 448 -6.507 23.115 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -8.990 20.641 -0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -10.312 21.813 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -8.197 24.593 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -9.853 24.065 -0.587 1.00 0.00 H new ATOM 531 N CYS A 449 -4.500 16.221 1.087 1.00 0.00 N ATOM 532 CA CYS A 449 -3.369 15.323 1.245 1.00 0.00 C ATOM 533 C CYS A 449 -2.719 15.605 2.601 1.00 0.00 C ATOM 534 O CYS A 449 -1.576 16.056 2.663 1.00 0.00 O ATOM 535 CB CYS A 449 -2.371 15.461 0.094 1.00 0.00 C ATOM 536 SG CYS A 449 -1.299 14.002 -0.170 1.00 0.00 S ATOM 0 H CYS A 449 -5.354 15.918 1.554 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.715 14.290 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.923 15.660 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.739 16.329 0.281 1.00 0.00 H new ATOM 541 N GLU A 450 -3.473 15.327 3.654 1.00 0.00 N ATOM 542 CA GLU A 450 -2.985 15.546 5.004 1.00 0.00 C ATOM 543 C GLU A 450 -3.743 14.658 5.993 1.00 0.00 C ATOM 544 O GLU A 450 -3.759 14.931 7.192 1.00 0.00 O ATOM 545 CB GLU A 450 -3.094 17.020 5.396 1.00 0.00 C ATOM 546 CG GLU A 450 -4.462 17.589 5.011 1.00 0.00 C ATOM 547 CD GLU A 450 -4.674 17.530 3.497 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.725 17.061 3.037 1.00 0.00 O ATOM 549 OE2 GLU A 450 -3.699 17.993 2.791 1.00 0.00 O ATOM 0 H GLU A 450 -4.420 14.951 3.599 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.930 15.274 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.941 17.127 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -2.307 17.591 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -5.248 17.026 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.540 18.621 5.353 1.00 0.00 H new ATOM 557 N ILE A 451 -4.353 13.613 5.453 1.00 0.00 N ATOM 558 CA ILE A 451 -5.111 12.683 6.274 1.00 0.00 C ATOM 559 C ILE A 451 -4.564 11.268 6.075 1.00 0.00 C ATOM 560 O ILE A 451 -4.125 10.918 4.980 1.00 0.00 O ATOM 561 CB ILE A 451 -6.608 12.809 5.982 1.00 0.00 C ATOM 562 CG1 ILE A 451 -7.186 14.077 6.616 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.361 11.552 6.425 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.464 15.324 6.102 1.00 0.00 C ATOM 0 H ILE A 451 -4.338 13.390 4.458 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.993 12.925 7.330 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.739 12.900 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -8.250 14.149 6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -7.094 14.020 7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.423 11.668 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.972 10.687 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -7.225 11.405 7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.894 16.211 6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.405 15.260 6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.579 15.391 5.020 1.00 0.00 H new ATOM 576 N ASP A 452 -4.606 10.495 7.149 1.00 0.00 N ATOM 577 CA ASP A 452 -4.119 9.126 7.105 1.00 0.00 C ATOM 578 C ASP A 452 -5.298 8.176 6.888 1.00 0.00 C ATOM 579 O ASP A 452 -6.242 8.162 7.678 1.00 0.00 O ATOM 580 CB ASP A 452 -3.437 8.742 8.420 1.00 0.00 C ATOM 581 CG ASP A 452 -3.843 7.380 8.985 1.00 0.00 C ATOM 582 OD1 ASP A 452 -4.109 7.239 10.188 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.883 6.421 8.121 1.00 0.00 O ATOM 0 H ASP A 452 -4.970 10.790 8.055 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.399 9.050 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.358 8.748 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.658 9.508 9.164 1.00 0.00 H new ATOM 589 N VAL A 453 -5.207 7.405 5.814 1.00 0.00 N ATOM 590 CA VAL A 453 -6.255 6.455 5.484 1.00 0.00 C ATOM 591 C VAL A 453 -5.840 5.061 5.957 1.00 0.00 C ATOM 592 O VAL A 453 -4.678 4.835 6.293 1.00 0.00 O ATOM 593 CB VAL A 453 -6.558 6.511 3.985 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.272 6.663 3.170 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.348 5.279 3.540 1.00 0.00 C ATOM 0 H VAL A 453 -4.423 7.419 5.161 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.180 6.712 6.000 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.176 7.390 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.516 6.700 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.765 7.584 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.617 5.813 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.551 5.343 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.767 4.380 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.290 5.234 4.086 1.00 0.00 H new ATOM 605 N ASN A 454 -6.812 4.161 5.969 1.00 0.00 N ATOM 606 CA ASN A 454 -6.563 2.794 6.396 1.00 0.00 C ATOM 607 C ASN A 454 -6.454 1.892 5.166 1.00 0.00 C ATOM 608 O ASN A 454 -7.466 1.476 4.604 1.00 0.00 O ATOM 609 CB ASN A 454 -7.709 2.273 7.266 1.00 0.00 C ATOM 610 CG ASN A 454 -7.417 0.854 7.763 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.574 0.146 7.239 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.160 0.483 8.803 1.00 0.00 N ATOM 0 H ASN A 454 -7.774 4.352 5.690 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.638 2.783 6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.856 2.938 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.637 2.278 6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.041 -0.445 9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.849 1.126 9.193 1.00 0.00 H new ATOM 619 N GLU A 455 -5.216 1.615 4.785 1.00 0.00 N ATOM 620 CA GLU A 455 -4.961 0.769 3.630 1.00 0.00 C ATOM 621 C GLU A 455 -5.260 -0.693 3.968 1.00 0.00 C ATOM 622 O GLU A 455 -5.154 -1.568 3.108 1.00 0.00 O ATOM 623 CB GLU A 455 -3.522 0.934 3.137 1.00 0.00 C ATOM 624 CG GLU A 455 -2.576 1.242 4.298 1.00 0.00 C ATOM 625 CD GLU A 455 -2.475 2.749 4.538 1.00 0.00 C ATOM 626 OE1 GLU A 455 -3.497 3.453 4.505 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.282 3.187 4.767 1.00 0.00 O ATOM 0 H GLU A 455 -4.379 1.961 5.254 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.625 1.079 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.200 0.023 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.476 1.738 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -2.932 0.749 5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -1.587 0.837 4.083 1.00 0.00 H new ATOM 635 N CYS A 456 -5.627 -0.915 5.222 1.00 0.00 N ATOM 636 CA CYS A 456 -5.943 -2.257 5.684 1.00 0.00 C ATOM 637 C CYS A 456 -7.432 -2.508 5.448 1.00 0.00 C ATOM 638 O CYS A 456 -7.954 -3.560 5.816 1.00 0.00 O ATOM 639 CB CYS A 456 -5.555 -2.455 7.151 1.00 0.00 C ATOM 640 SG CYS A 456 -5.151 -4.180 7.611 1.00 0.00 S ATOM 0 H CYS A 456 -5.713 -0.188 5.933 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.360 -2.986 5.121 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -4.695 -1.823 7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -6.376 -2.109 7.779 1.00 0.00 H new ATOM 645 N VAL A 457 -8.077 -1.524 4.836 1.00 0.00 N ATOM 646 CA VAL A 457 -9.497 -1.627 4.547 1.00 0.00 C ATOM 647 C VAL A 457 -9.701 -2.522 3.323 1.00 0.00 C ATOM 648 O VAL A 457 -10.716 -3.207 3.213 1.00 0.00 O ATOM 649 CB VAL A 457 -10.096 -0.229 4.371 1.00 0.00 C ATOM 650 CG1 VAL A 457 -9.688 0.690 5.524 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.700 0.372 3.021 1.00 0.00 C ATOM 0 H VAL A 457 -7.642 -0.653 4.533 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.024 -2.091 5.380 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.182 -0.324 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.126 1.677 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.045 0.273 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -8.602 0.776 5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.139 1.365 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.614 0.447 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.064 -0.268 2.217 1.00 0.00 H new ATOM 661 N SER A 458 -8.720 -2.488 2.434 1.00 0.00 N ATOM 662 CA SER A 458 -8.778 -3.288 1.223 1.00 0.00 C ATOM 663 C SER A 458 -7.811 -4.468 1.328 1.00 0.00 C ATOM 664 O SER A 458 -7.836 -5.372 0.495 1.00 0.00 O ATOM 665 CB SER A 458 -8.456 -2.444 -0.011 1.00 0.00 C ATOM 666 OG SER A 458 -9.230 -1.249 -0.059 1.00 0.00 O ATOM 0 H SER A 458 -7.879 -1.918 2.528 1.00 0.00 H new ATOM 0 HA SER A 458 -9.793 -3.669 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 458 -7.396 -2.189 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.641 -3.032 -0.910 1.00 0.00 H new ATOM 0 HG SER A 458 -8.993 -0.738 -0.861 1.00 0.00 H new ATOM 672 N ASN A 459 -6.982 -4.423 2.360 1.00 0.00 N ATOM 673 CA ASN A 459 -6.007 -5.476 2.584 1.00 0.00 C ATOM 674 C ASN A 459 -5.960 -5.812 4.076 1.00 0.00 C ATOM 675 O ASN A 459 -4.906 -5.717 4.705 1.00 0.00 O ATOM 676 CB ASN A 459 -4.606 -5.033 2.154 1.00 0.00 C ATOM 677 CG ASN A 459 -4.665 -4.189 0.879 1.00 0.00 C ATOM 678 OD1 ASN A 459 -4.265 -4.611 -0.193 1.00 0.00 O ATOM 679 ND2 ASN A 459 -5.186 -2.978 1.056 1.00 0.00 N ATOM 0 H ASN A 459 -6.966 -3.673 3.051 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.306 -6.343 1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.141 -4.457 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -3.979 -5.909 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.270 -2.339 0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -5.501 -2.689 1.982 1.00 0.00 H new ATOM 686 N PRO A 460 -7.144 -6.207 4.614 1.00 0.00 N ATOM 687 CA PRO A 460 -7.248 -6.557 6.020 1.00 0.00 C ATOM 688 C PRO A 460 -6.628 -7.930 6.291 1.00 0.00 C ATOM 689 O PRO A 460 -6.515 -8.348 7.442 1.00 0.00 O ATOM 690 CB PRO A 460 -8.735 -6.505 6.330 1.00 0.00 C ATOM 691 CG PRO A 460 -9.443 -6.586 4.988 1.00 0.00 C ATOM 692 CD PRO A 460 -8.412 -6.331 3.900 1.00 0.00 C ATOM 0 HA PRO A 460 -6.696 -5.873 6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.028 -7.332 6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.993 -5.584 6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.902 -7.566 4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.245 -5.849 4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.384 -7.150 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -8.642 -5.424 3.341 1.00 0.00 H new ATOM 700 N CYS A 461 -6.240 -8.592 5.211 1.00 0.00 N ATOM 701 CA CYS A 461 -5.634 -9.907 5.317 1.00 0.00 C ATOM 702 C CYS A 461 -6.732 -10.914 5.671 1.00 0.00 C ATOM 703 O CYS A 461 -6.449 -11.981 6.215 1.00 0.00 O ATOM 704 CB CYS A 461 -4.494 -9.926 6.337 1.00 0.00 C ATOM 705 SG CYS A 461 -2.983 -10.796 5.782 1.00 0.00 S ATOM 0 H CYS A 461 -6.334 -8.241 4.258 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.184 -10.180 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.233 -8.898 6.588 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.852 -10.397 7.252 1.00 0.00 H new ATOM 710 N GLN A 462 -7.960 -10.541 5.348 1.00 0.00 N ATOM 711 CA GLN A 462 -9.101 -11.397 5.625 1.00 0.00 C ATOM 712 C GLN A 462 -8.806 -12.832 5.185 1.00 0.00 C ATOM 713 O GLN A 462 -8.411 -13.067 4.044 1.00 0.00 O ATOM 714 CB GLN A 462 -10.365 -10.864 4.946 1.00 0.00 C ATOM 715 CG GLN A 462 -10.501 -11.423 3.528 1.00 0.00 C ATOM 716 CD GLN A 462 -9.518 -10.744 2.573 1.00 0.00 C ATOM 717 OE1 GLN A 462 -9.710 -9.619 2.140 1.00 0.00 O ATOM 718 NE2 GLN A 462 -8.456 -11.486 2.272 1.00 0.00 N ATOM 0 H GLN A 462 -8.191 -9.656 4.896 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.279 -11.396 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -11.241 -11.137 5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -10.332 -9.775 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.320 -12.498 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -11.520 -11.275 3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -8.357 -12.420 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -7.740 -11.121 1.644 1.00 0.00 H new ATOM 727 N ASN A 463 -9.008 -13.756 6.115 1.00 0.00 N ATOM 728 CA ASN A 463 -8.769 -15.161 5.837 1.00 0.00 C ATOM 729 C ASN A 463 -8.308 -15.858 7.118 1.00 0.00 C ATOM 730 O ASN A 463 -8.402 -17.079 7.234 1.00 0.00 O ATOM 731 CB ASN A 463 -7.673 -15.336 4.783 1.00 0.00 C ATOM 732 CG ASN A 463 -6.472 -14.438 5.087 1.00 0.00 C ATOM 733 OD1 ASN A 463 -5.780 -14.806 6.161 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -6.193 -13.475 4.392 1.00 0.00 N flip ATOM 0 H ASN A 463 -9.334 -13.558 7.061 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.698 -15.594 5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -7.354 -16.378 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -8.070 -15.097 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -6.768 -13.248 3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -5.385 -12.897 4.623 1.00 0.00 H new ATOM 741 N ASP A 464 -7.818 -15.052 8.048 1.00 0.00 N ATOM 742 CA ASP A 464 -7.341 -15.576 9.318 1.00 0.00 C ATOM 743 C ASP A 464 -6.259 -14.649 9.873 1.00 0.00 C ATOM 744 O ASP A 464 -5.973 -14.668 11.070 1.00 0.00 O ATOM 745 CB ASP A 464 -6.729 -16.967 9.144 1.00 0.00 C ATOM 746 CG ASP A 464 -7.653 -18.130 9.509 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.883 -17.979 9.556 1.00 0.00 O ATOM 748 OD2 ASP A 464 -7.053 -19.246 9.755 1.00 0.00 O ATOM 0 H ASP A 464 -7.741 -14.040 7.948 1.00 0.00 H new ATOM 0 HA ASP A 464 -8.191 -15.638 9.998 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -6.417 -17.083 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -5.830 -17.031 9.757 1.00 0.00 H new ATOM 754 N ALA A 465 -5.685 -13.858 8.978 1.00 0.00 N ATOM 755 CA ALA A 465 -4.641 -12.925 9.363 1.00 0.00 C ATOM 756 C ALA A 465 -5.254 -11.788 10.184 1.00 0.00 C ATOM 757 O ALA A 465 -6.462 -11.561 10.128 1.00 0.00 O ATOM 758 CB ALA A 465 -3.921 -12.418 8.111 1.00 0.00 C ATOM 0 H ALA A 465 -5.924 -13.845 7.986 1.00 0.00 H new ATOM 0 HA ALA A 465 -3.898 -13.419 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.137 -11.718 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.477 -13.260 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.635 -11.914 7.459 1.00 0.00 H new ATOM 764 N THR A 466 -4.394 -11.105 10.924 1.00 0.00 N ATOM 765 CA THR A 466 -4.837 -9.998 11.755 1.00 0.00 C ATOM 766 C THR A 466 -4.433 -8.664 11.124 1.00 0.00 C ATOM 767 O THR A 466 -3.252 -8.324 11.085 1.00 0.00 O ATOM 768 CB THR A 466 -4.268 -10.204 13.160 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.105 -11.206 13.731 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.480 -8.984 14.062 1.00 0.00 C ATOM 0 H THR A 466 -3.393 -11.296 10.966 1.00 0.00 H new ATOM 0 HA THR A 466 -5.924 -9.970 11.831 1.00 0.00 H new ATOM 0 HB THR A 466 -3.203 -10.425 13.091 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.805 -11.402 14.643 1.00 0.00 H new ATOM 0 HG21 THR A 466 -4.058 -9.182 15.047 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.986 -8.117 13.623 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.547 -8.784 14.158 1.00 0.00 H new ATOM 778 N CYS A 467 -5.437 -7.944 10.647 1.00 0.00 N ATOM 779 CA CYS A 467 -5.200 -6.654 10.020 1.00 0.00 C ATOM 780 C CYS A 467 -4.474 -5.757 11.024 1.00 0.00 C ATOM 781 O CYS A 467 -4.648 -5.904 12.233 1.00 0.00 O ATOM 782 CB CYS A 467 -6.501 -6.018 9.526 1.00 0.00 C ATOM 783 SG CYS A 467 -6.441 -4.199 9.330 1.00 0.00 S ATOM 0 H CYS A 467 -6.416 -8.228 10.682 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.577 -6.787 9.135 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.766 -6.464 8.567 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.299 -6.268 10.225 1.00 0.00 H new ATOM 788 N LEU A 468 -3.672 -4.848 10.486 1.00 0.00 N ATOM 789 CA LEU A 468 -2.918 -3.929 11.321 1.00 0.00 C ATOM 790 C LEU A 468 -2.475 -2.730 10.480 1.00 0.00 C ATOM 791 O LEU A 468 -1.371 -2.721 9.939 1.00 0.00 O ATOM 792 CB LEU A 468 -1.763 -4.656 12.012 1.00 0.00 C ATOM 793 CG LEU A 468 -2.085 -5.299 13.361 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.807 -5.714 14.092 1.00 0.00 C ATOM 795 CD2 LEU A 468 -2.957 -4.375 14.215 1.00 0.00 C ATOM 0 H LEU A 468 -3.529 -4.729 9.483 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.545 -3.542 12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.395 -5.432 11.341 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.948 -3.947 12.156 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.659 -6.207 13.176 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.066 -6.168 15.048 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.258 -6.434 13.485 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.185 -4.836 14.264 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.171 -4.856 15.169 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.429 -3.438 14.392 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.892 -4.172 13.693 1.00 0.00 H new ATOM 807 N ASP A 469 -3.360 -1.747 10.395 1.00 0.00 N ATOM 808 CA ASP A 469 -3.075 -0.547 9.629 1.00 0.00 C ATOM 809 C ASP A 469 -2.060 0.309 10.389 1.00 0.00 C ATOM 810 O ASP A 469 -2.209 0.537 11.589 1.00 0.00 O ATOM 811 CB ASP A 469 -4.339 0.291 9.424 1.00 0.00 C ATOM 812 CG ASP A 469 -4.101 1.794 9.270 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.548 2.600 10.097 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.415 2.133 8.230 1.00 0.00 O ATOM 0 H ASP A 469 -4.275 -1.758 10.845 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.684 -0.853 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -4.857 -0.072 8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.005 0.129 10.271 1.00 0.00 H new ATOM 820 N GLN A 470 -1.049 0.760 9.661 1.00 0.00 N ATOM 821 CA GLN A 470 -0.009 1.585 10.252 1.00 0.00 C ATOM 822 C GLN A 470 0.070 2.934 9.534 1.00 0.00 C ATOM 823 O GLN A 470 -0.723 3.210 8.634 1.00 0.00 O ATOM 824 CB GLN A 470 1.342 0.869 10.222 1.00 0.00 C ATOM 825 CG GLN A 470 1.642 0.208 11.569 1.00 0.00 C ATOM 826 CD GLN A 470 1.924 -1.285 11.397 1.00 0.00 C ATOM 827 OE1 GLN A 470 0.865 -2.063 11.602 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 3.030 -1.704 11.098 1.00 0.00 N flip ATOM 0 H GLN A 470 -0.928 0.569 8.666 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.265 1.765 11.296 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.341 0.115 9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 470 2.130 1.582 9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.501 0.693 12.032 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.796 0.347 12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 470 3.801 -1.052 10.955 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.184 -2.707 10.991 1.00 0.00 H new ATOM 837 N ILE A 471 1.032 3.739 9.959 1.00 0.00 N ATOM 838 CA ILE A 471 1.225 5.053 9.367 1.00 0.00 C ATOM 839 C ILE A 471 1.627 4.893 7.900 1.00 0.00 C ATOM 840 O ILE A 471 2.583 4.185 7.588 1.00 0.00 O ATOM 841 CB ILE A 471 2.221 5.870 10.192 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.292 4.970 10.810 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.498 6.709 11.248 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.890 4.029 9.762 1.00 0.00 C ATOM 0 H ILE A 471 1.687 3.507 10.706 1.00 0.00 H new ATOM 0 HA ILE A 471 0.293 5.619 9.382 1.00 0.00 H new ATOM 0 HB ILE A 471 2.731 6.563 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.081 5.584 11.245 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.858 4.387 11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.228 7.280 11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.806 7.393 10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 471 0.945 6.052 11.919 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.649 3.400 10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.103 3.400 9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.345 4.615 8.964 1.00 0.00 H new ATOM 856 N GLY A 472 0.876 5.563 7.038 1.00 0.00 N ATOM 857 CA GLY A 472 1.143 5.504 5.611 1.00 0.00 C ATOM 858 C GLY A 472 1.553 4.093 5.186 1.00 0.00 C ATOM 859 O GLY A 472 2.286 3.920 4.213 1.00 0.00 O ATOM 0 H GLY A 472 0.083 6.149 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.255 5.810 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.935 6.208 5.356 1.00 0.00 H new ATOM 863 N GLU A 473 1.064 3.117 5.939 1.00 0.00 N ATOM 864 CA GLU A 473 1.371 1.726 5.655 1.00 0.00 C ATOM 865 C GLU A 473 0.424 0.805 6.426 1.00 0.00 C ATOM 866 O GLU A 473 -0.275 1.248 7.337 1.00 0.00 O ATOM 867 CB GLU A 473 2.831 1.409 5.981 1.00 0.00 C ATOM 868 CG GLU A 473 3.024 1.200 7.483 1.00 0.00 C ATOM 869 CD GLU A 473 3.452 -0.237 7.786 1.00 0.00 C ATOM 870 OE1 GLU A 473 2.614 -1.152 7.767 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.707 -0.390 8.050 1.00 0.00 O ATOM 0 H GLU A 473 0.457 3.263 6.746 1.00 0.00 H new ATOM 0 HA GLU A 473 1.226 1.553 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.141 0.513 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.469 2.224 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.777 1.894 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.095 1.425 8.007 1.00 0.00 H new ATOM 879 N PHE A 474 0.429 -0.460 6.033 1.00 0.00 N ATOM 880 CA PHE A 474 -0.420 -1.448 6.676 1.00 0.00 C ATOM 881 C PHE A 474 0.308 -2.786 6.821 1.00 0.00 C ATOM 882 O PHE A 474 1.180 -3.113 6.018 1.00 0.00 O ATOM 883 CB PHE A 474 -1.643 -1.640 5.777 1.00 0.00 C ATOM 884 CG PHE A 474 -1.626 -2.942 4.973 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.795 -4.134 5.606 1.00 0.00 C ATOM 886 CD2 PHE A 474 -1.441 -2.908 3.626 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.779 -5.342 4.860 1.00 0.00 C ATOM 888 CE2 PHE A 474 -1.425 -4.116 2.881 1.00 0.00 C ATOM 889 CZ PHE A 474 -1.593 -5.308 3.513 1.00 0.00 C ATOM 0 H PHE A 474 1.008 -0.824 5.276 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.698 -1.107 7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.542 -1.617 6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.709 -0.799 5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.941 -4.162 6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.306 -1.962 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -1.915 -6.288 5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -1.279 -4.088 1.811 1.00 0.00 H new ATOM 0 HZ PHE A 474 -1.579 -6.227 2.946 1.00 0.00 H new ATOM 899 N GLN A 475 -0.079 -3.525 7.850 1.00 0.00 N ATOM 900 CA GLN A 475 0.525 -4.820 8.111 1.00 0.00 C ATOM 901 C GLN A 475 -0.535 -5.813 8.594 1.00 0.00 C ATOM 902 O GLN A 475 -1.565 -5.414 9.133 1.00 0.00 O ATOM 903 CB GLN A 475 1.665 -4.699 9.123 1.00 0.00 C ATOM 904 CG GLN A 475 1.289 -5.355 10.454 1.00 0.00 C ATOM 905 CD GLN A 475 2.469 -5.338 11.427 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.209 -4.373 11.530 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.604 -6.458 12.133 1.00 0.00 N ATOM 0 H GLN A 475 -0.804 -3.251 8.513 1.00 0.00 H new ATOM 0 HA GLN A 475 0.949 -5.196 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.563 -5.169 8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 475 1.902 -3.647 9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.442 -4.830 10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.972 -6.383 10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 475 1.949 -7.228 11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 475 3.362 -6.546 12.810 1.00 0.00 H new ATOM 916 N CYS A 476 -0.245 -7.088 8.383 1.00 0.00 N ATOM 917 CA CYS A 476 -1.159 -8.141 8.790 1.00 0.00 C ATOM 918 C CYS A 476 -0.336 -9.378 9.156 1.00 0.00 C ATOM 919 O CYS A 476 0.482 -9.840 8.363 1.00 0.00 O ATOM 920 CB CYS A 476 -2.192 -8.445 7.702 1.00 0.00 C ATOM 921 SG CYS A 476 -1.534 -9.341 6.248 1.00 0.00 S ATOM 0 H CYS A 476 0.611 -7.416 7.935 1.00 0.00 H new ATOM 0 HA CYS A 476 -1.729 -7.815 9.660 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.998 -9.034 8.140 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -2.631 -7.506 7.365 1.00 0.00 H new ATOM 926 N ILE A 477 -0.583 -9.878 10.358 1.00 0.00 N ATOM 927 CA ILE A 477 0.125 -11.051 10.840 1.00 0.00 C ATOM 928 C ILE A 477 -0.528 -12.308 10.262 1.00 0.00 C ATOM 929 O ILE A 477 -1.652 -12.651 10.627 1.00 0.00 O ATOM 930 CB ILE A 477 0.199 -11.044 12.369 1.00 0.00 C ATOM 931 CG1 ILE A 477 1.003 -9.843 12.872 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.752 -12.367 12.898 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.404 -9.826 12.258 1.00 0.00 C ATOM 0 H ILE A 477 -1.264 -9.492 11.012 1.00 0.00 H new ATOM 0 HA ILE A 477 1.159 -11.040 10.495 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.813 -10.941 12.760 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.481 -8.920 12.621 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.079 -9.881 13.959 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.794 -12.335 13.987 1.00 0.00 H new ATOM 0 HG22 ILE A 477 0.103 -13.184 12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.754 -12.527 12.501 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.955 -8.963 12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.932 -10.739 12.531 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.325 -9.764 11.173 1.00 0.00 H new ATOM 945 N CYS A 478 0.204 -12.962 9.372 1.00 0.00 N ATOM 946 CA CYS A 478 -0.290 -14.173 8.740 1.00 0.00 C ATOM 947 C CYS A 478 0.365 -15.374 9.427 1.00 0.00 C ATOM 948 O CYS A 478 1.332 -15.217 10.170 1.00 0.00 O ATOM 949 CB CYS A 478 -0.036 -14.169 7.232 1.00 0.00 C ATOM 950 SG CYS A 478 -0.017 -12.509 6.461 1.00 0.00 S ATOM 0 H CYS A 478 1.136 -12.675 9.074 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.372 -14.233 8.858 1.00 0.00 H new ATOM 0 HB2 CYS A 478 0.920 -14.655 7.038 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -0.804 -14.771 6.747 1.00 0.00 H new ATOM 955 N MET A 479 -0.188 -16.546 9.152 1.00 0.00 N ATOM 956 CA MET A 479 0.330 -17.773 9.734 1.00 0.00 C ATOM 957 C MET A 479 1.321 -18.452 8.787 1.00 0.00 C ATOM 958 O MET A 479 1.266 -18.250 7.576 1.00 0.00 O ATOM 959 CB MET A 479 -0.828 -18.728 10.030 1.00 0.00 C ATOM 960 CG MET A 479 -1.667 -18.223 11.207 1.00 0.00 C ATOM 961 SD MET A 479 -1.065 -18.927 12.732 1.00 0.00 S ATOM 962 CE MET A 479 -2.555 -18.864 13.712 1.00 0.00 C ATOM 0 H MET A 479 -0.990 -16.672 8.534 1.00 0.00 H new ATOM 0 HA MET A 479 0.851 -17.522 10.658 1.00 0.00 H new ATOM 0 HB2 MET A 479 -1.458 -18.827 9.146 1.00 0.00 H new ATOM 0 HB3 MET A 479 -0.437 -19.720 10.256 1.00 0.00 H new ATOM 0 HG2 MET A 479 -1.622 -17.135 11.256 1.00 0.00 H new ATOM 0 HG3 MET A 479 -2.713 -18.492 11.061 1.00 0.00 H new ATOM 0 HE1 MET A 479 -2.355 -19.269 14.704 1.00 0.00 H new ATOM 0 HE2 MET A 479 -2.887 -17.830 13.803 1.00 0.00 H new ATOM 0 HE3 MET A 479 -3.334 -19.454 13.229 1.00 0.00 H new ATOM 972 N PRO A 480 2.229 -19.264 9.392 1.00 0.00 N ATOM 973 CA PRO A 480 3.232 -19.974 8.617 1.00 0.00 C ATOM 974 C PRO A 480 2.613 -21.161 7.875 1.00 0.00 C ATOM 975 O PRO A 480 2.786 -22.309 8.280 1.00 0.00 O ATOM 976 CB PRO A 480 4.288 -20.391 9.626 1.00 0.00 C ATOM 977 CG PRO A 480 3.619 -20.308 10.989 1.00 0.00 C ATOM 978 CD PRO A 480 2.326 -19.527 10.824 1.00 0.00 C ATOM 0 HA PRO A 480 3.671 -19.357 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 480 4.642 -21.402 9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 480 5.156 -19.734 9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 480 3.416 -21.306 11.376 1.00 0.00 H new ATOM 0 HG3 PRO A 480 4.274 -19.815 11.707 1.00 0.00 H new ATOM 0 HD2 PRO A 480 1.470 -20.100 11.180 1.00 0.00 H new ATOM 0 HD3 PRO A 480 2.349 -18.599 11.396 1.00 0.00 H new ATOM 986 N GLY A 481 1.904 -20.842 6.802 1.00 0.00 N ATOM 987 CA GLY A 481 1.257 -21.867 6.000 1.00 0.00 C ATOM 988 C GLY A 481 0.555 -21.253 4.788 1.00 0.00 C ATOM 989 O GLY A 481 0.510 -21.861 3.719 1.00 0.00 O ATOM 0 H GLY A 481 1.763 -19.888 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 481 1.998 -22.594 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 481 0.532 -22.407 6.609 1.00 0.00 H new ATOM 993 N TYR A 482 0.023 -20.057 4.995 1.00 0.00 N ATOM 994 CA TYR A 482 -0.674 -19.355 3.932 1.00 0.00 C ATOM 995 C TYR A 482 0.266 -18.400 3.194 1.00 0.00 C ATOM 996 O TYR A 482 1.401 -18.189 3.620 1.00 0.00 O ATOM 997 CB TYR A 482 -1.774 -18.540 4.616 1.00 0.00 C ATOM 998 CG TYR A 482 -3.049 -19.335 4.907 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.880 -19.709 3.870 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -3.367 -19.679 6.205 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -5.080 -20.457 4.145 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -4.566 -20.427 6.478 1.00 0.00 C ATOM 1003 CZ TYR A 482 -5.364 -20.779 5.435 1.00 0.00 C ATOM 1004 OH TYR A 482 -6.497 -21.485 5.693 1.00 0.00 O ATOM 0 H TYR A 482 0.061 -19.557 5.883 1.00 0.00 H new ATOM 0 HA TYR A 482 -1.068 -20.061 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.386 -18.140 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.026 -17.688 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -3.631 -19.441 2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -2.716 -19.387 7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -5.740 -20.756 3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -4.826 -20.703 7.489 1.00 0.00 H new ATOM 0 HH TYR A 482 -6.571 -21.644 6.657 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.239 -17.849 2.101 1.00 0.00 N ATOM 1015 CA GLU A 483 0.543 -16.922 1.299 1.00 0.00 C ATOM 1016 C GLU A 483 -0.381 -15.979 0.526 1.00 0.00 C ATOM 1017 O GLU A 483 -1.603 -16.080 0.628 1.00 0.00 O ATOM 1018 CB GLU A 483 1.479 -17.672 0.351 1.00 0.00 C ATOM 1019 CG GLU A 483 2.740 -16.854 0.062 1.00 0.00 C ATOM 1020 CD GLU A 483 3.998 -17.625 0.464 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.347 -17.665 1.653 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.622 -18.197 -0.510 1.00 0.00 O ATOM 0 H GLU A 483 -1.181 -18.026 1.751 1.00 0.00 H new ATOM 0 HA GLU A 483 1.161 -16.324 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.756 -18.630 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 483 0.960 -17.888 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.783 -16.609 -0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 483 2.698 -15.910 0.606 1.00 0.00 H new ATOM 1030 N GLY A 484 0.238 -15.085 -0.231 1.00 0.00 N ATOM 1031 CA GLY A 484 -0.514 -14.126 -1.021 1.00 0.00 C ATOM 1032 C GLY A 484 -0.339 -12.707 -0.472 1.00 0.00 C ATOM 1033 O GLY A 484 0.364 -12.502 0.516 1.00 0.00 O ATOM 0 H GLY A 484 1.251 -15.005 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.181 -14.162 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.571 -14.394 -1.016 1.00 0.00 H new ATOM 1037 N VAL A 485 -0.992 -11.765 -1.137 1.00 0.00 N ATOM 1038 CA VAL A 485 -0.919 -10.372 -0.728 1.00 0.00 C ATOM 1039 C VAL A 485 -1.867 -10.142 0.450 1.00 0.00 C ATOM 1040 O VAL A 485 -1.662 -9.224 1.245 1.00 0.00 O ATOM 1041 CB VAL A 485 -1.213 -9.461 -1.920 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -2.595 -8.820 -1.792 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -0.126 -8.396 -2.077 1.00 0.00 C ATOM 0 H VAL A 485 -1.574 -11.939 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 485 0.087 -10.125 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 485 -1.212 -10.076 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -2.779 -8.177 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -3.356 -9.600 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -2.637 -8.226 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -0.359 -7.761 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -0.081 -7.787 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 485 0.837 -8.880 -2.237 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.884 -10.987 0.526 1.00 0.00 N ATOM 1054 CA HIS A 486 -3.864 -10.885 1.594 1.00 0.00 C ATOM 1055 C HIS A 486 -3.671 -12.040 2.578 1.00 0.00 C ATOM 1056 O HIS A 486 -4.345 -12.103 3.605 1.00 0.00 O ATOM 1057 CB HIS A 486 -5.282 -10.822 1.025 1.00 0.00 C ATOM 1058 CG HIS A 486 -5.411 -9.967 -0.213 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -5.024 -8.679 -0.451 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -5.995 -10.421 -1.383 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -5.353 -8.366 -1.698 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -5.957 -9.444 -2.277 1.00 0.00 N flip ATOM 0 H HIS A 486 -3.051 -11.746 -0.135 1.00 0.00 H new ATOM 0 HA HIS A 486 -3.714 -9.956 2.144 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.614 -11.834 0.791 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -5.953 -10.436 1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -6.411 -11.405 -1.540 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -5.172 -7.415 -2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -6.316 -9.490 -3.231 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.746 -12.923 2.231 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.457 -14.071 3.073 1.00 0.00 C ATOM 1072 C CYS A 487 -3.632 -15.046 2.977 1.00 0.00 C ATOM 1073 O CYS A 487 -3.672 -16.048 3.690 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.175 -13.658 4.519 1.00 0.00 C ATOM 1075 SG CYS A 487 -0.839 -12.423 4.716 1.00 0.00 S ATOM 0 H CYS A 487 -2.188 -12.867 1.379 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.549 -14.561 2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.090 -13.255 4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -1.916 -14.548 5.093 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.560 -14.718 2.091 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.735 -15.552 1.893 1.00 0.00 C ATOM 1082 C GLU A 488 -5.480 -16.569 0.778 1.00 0.00 C ATOM 1083 O GLU A 488 -6.421 -17.151 0.239 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.967 -14.700 1.588 1.00 0.00 C ATOM 1085 CG GLU A 488 -6.982 -14.260 0.122 1.00 0.00 C ATOM 1086 CD GLU A 488 -7.968 -15.099 -0.691 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.843 -15.763 -0.114 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -7.806 -15.044 -1.970 1.00 0.00 O ATOM 0 H GLU A 488 -4.523 -13.886 1.502 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.932 -16.096 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.870 -15.268 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.976 -13.823 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.255 -13.207 0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -5.982 -14.356 -0.301 1.00 0.00 H new ATOM 1096 N VAL A 489 -4.206 -16.751 0.466 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.818 -17.688 -0.575 1.00 0.00 C ATOM 1098 C VAL A 489 -3.115 -18.889 0.061 1.00 0.00 C ATOM 1099 O VAL A 489 -1.963 -18.788 0.480 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.958 -16.979 -1.623 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.959 -17.748 -2.946 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -3.422 -15.535 -1.827 1.00 0.00 C ATOM 0 H VAL A 489 -3.429 -16.266 0.915 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.698 -18.065 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 489 -1.933 -16.952 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.340 -17.222 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -2.559 -18.749 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -3.979 -17.821 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -2.794 -15.054 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -4.459 -15.530 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -3.344 -14.991 -0.885 1.00 0.00 H new ATOM 1112 N ASN A 490 -3.838 -19.997 0.114 1.00 0.00 N ATOM 1113 CA ASN A 490 -3.299 -21.216 0.694 1.00 0.00 C ATOM 1114 C ASN A 490 -2.148 -21.723 -0.177 1.00 0.00 C ATOM 1115 O ASN A 490 -2.202 -21.628 -1.403 1.00 0.00 O ATOM 1116 CB ASN A 490 -4.363 -22.313 0.757 1.00 0.00 C ATOM 1117 CG ASN A 490 -3.815 -23.568 1.440 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -3.083 -24.352 0.861 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -4.212 -23.712 2.702 1.00 0.00 N ATOM 0 H ASN A 490 -4.793 -20.077 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 490 -2.957 -20.987 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -5.234 -21.949 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -4.697 -22.559 -0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -3.902 -24.518 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -4.826 -23.017 3.126 1.00 0.00 H new ATOM 1126 N THR A 491 -1.131 -22.250 0.489 1.00 0.00 N ATOM 1127 CA THR A 491 0.032 -22.771 -0.209 1.00 0.00 C ATOM 1128 C THR A 491 -0.395 -23.506 -1.480 1.00 0.00 C ATOM 1129 O THR A 491 -1.518 -24.001 -1.569 1.00 0.00 O ATOM 1130 CB THR A 491 0.814 -23.651 0.767 1.00 0.00 C ATOM 1131 OG1 THR A 491 1.475 -22.720 1.621 1.00 0.00 O ATOM 1132 CG2 THR A 491 1.957 -24.408 0.088 1.00 0.00 C ATOM 0 H THR A 491 -1.088 -22.327 1.505 1.00 0.00 H new ATOM 0 HA THR A 491 0.688 -21.966 -0.541 1.00 0.00 H new ATOM 0 HB THR A 491 0.135 -24.363 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 491 0.816 -22.281 2.199 1.00 0.00 H new ATOM 0 HG21 THR A 491 2.479 -25.017 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 491 1.553 -25.052 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 491 2.654 -23.695 -0.353 1.00 0.00 H new ATOM 1140 N ASP A 492 0.523 -23.555 -2.434 1.00 0.00 N ATOM 1141 CA ASP A 492 0.256 -24.221 -3.698 1.00 0.00 C ATOM 1142 C ASP A 492 0.831 -25.639 -3.653 1.00 0.00 C ATOM 1143 O ASP A 492 1.840 -25.882 -2.992 1.00 0.00 O ATOM 1144 CB ASP A 492 0.917 -23.480 -4.863 1.00 0.00 C ATOM 1145 CG ASP A 492 0.060 -23.367 -6.125 1.00 0.00 C ATOM 1146 OD1 ASP A 492 -0.387 -22.272 -6.498 1.00 0.00 O ATOM 1147 OD2 ASP A 492 -0.148 -24.480 -6.744 1.00 0.00 O ATOM 0 H ASP A 492 1.453 -23.144 -2.357 1.00 0.00 H new ATOM 0 HA ASP A 492 -0.823 -24.238 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 492 1.183 -22.476 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 492 1.847 -23.989 -5.117 1.00 0.00 H new ATOM 1153 N GLU A 493 0.165 -26.536 -4.365 1.00 0.00 N ATOM 1154 CA GLU A 493 0.597 -27.922 -4.415 1.00 0.00 C ATOM 1155 C GLU A 493 0.526 -28.448 -5.850 1.00 0.00 C ATOM 1156 O GLU A 493 0.365 -29.648 -6.068 1.00 0.00 O ATOM 1157 CB GLU A 493 -0.237 -28.791 -3.471 1.00 0.00 C ATOM 1158 CG GLU A 493 -1.733 -28.577 -3.707 1.00 0.00 C ATOM 1159 CD GLU A 493 -2.202 -27.252 -3.103 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -1.782 -26.895 -1.992 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -3.030 -26.583 -3.832 1.00 0.00 O ATOM 0 H GLU A 493 -0.671 -26.330 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 493 1.633 -27.972 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 493 0.012 -29.841 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 493 0.010 -28.551 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -1.940 -28.586 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -2.295 -29.400 -3.266 1.00 0.00 H new ATOM 1169 N CYS A 494 0.650 -27.525 -6.791 1.00 0.00 N ATOM 1170 CA CYS A 494 0.602 -27.880 -8.200 1.00 0.00 C ATOM 1171 C CYS A 494 2.005 -28.313 -8.634 1.00 0.00 C ATOM 1172 O CYS A 494 2.223 -28.648 -9.797 1.00 0.00 O ATOM 1173 CB CYS A 494 0.069 -26.731 -9.056 1.00 0.00 C ATOM 1174 SG CYS A 494 0.158 -27.014 -10.862 1.00 0.00 S ATOM 0 H CYS A 494 0.784 -26.531 -6.606 1.00 0.00 H new ATOM 0 HA CYS A 494 -0.094 -28.706 -8.346 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -0.969 -26.544 -8.782 1.00 0.00 H new ATOM 0 HB3 CYS A 494 0.629 -25.827 -8.816 1.00 0.00 H new ATOM 1179 N ALA A 495 2.919 -28.292 -7.676 1.00 0.00 N ATOM 1180 CA ALA A 495 4.295 -28.677 -7.944 1.00 0.00 C ATOM 1181 C ALA A 495 4.336 -30.150 -8.351 1.00 0.00 C ATOM 1182 O ALA A 495 5.241 -30.576 -9.067 1.00 0.00 O ATOM 1183 CB ALA A 495 5.155 -28.387 -6.713 1.00 0.00 C ATOM 0 H ALA A 495 2.734 -28.014 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 495 4.703 -28.095 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 495 6.187 -28.676 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 495 5.114 -27.322 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 495 4.778 -28.956 -5.863 1.00 0.00 H new ATOM 1189 N SER A 496 3.345 -30.890 -7.878 1.00 0.00 N ATOM 1190 CA SER A 496 3.257 -32.309 -8.183 1.00 0.00 C ATOM 1191 C SER A 496 2.576 -32.510 -9.539 1.00 0.00 C ATOM 1192 O SER A 496 3.127 -33.164 -10.423 1.00 0.00 O ATOM 1193 CB SER A 496 2.496 -33.062 -7.090 1.00 0.00 C ATOM 1194 OG SER A 496 3.324 -34.009 -6.421 1.00 0.00 O ATOM 0 H SER A 496 2.595 -30.534 -7.285 1.00 0.00 H new ATOM 0 HA SER A 496 4.268 -32.713 -8.227 1.00 0.00 H new ATOM 0 HB2 SER A 496 2.102 -32.349 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 496 1.641 -33.575 -7.531 1.00 0.00 H new ATOM 0 HG SER A 496 2.803 -34.468 -5.729 1.00 0.00 H new ATOM 1200 N SER A 497 1.388 -31.936 -9.659 1.00 0.00 N ATOM 1201 CA SER A 497 0.626 -32.044 -10.893 1.00 0.00 C ATOM 1202 C SER A 497 0.504 -30.671 -11.553 1.00 0.00 C ATOM 1203 O SER A 497 -0.258 -29.821 -11.093 1.00 0.00 O ATOM 1204 CB SER A 497 -0.761 -32.634 -10.631 1.00 0.00 C ATOM 1205 OG SER A 497 -0.734 -34.058 -10.572 1.00 0.00 O ATOM 0 H SER A 497 0.934 -31.395 -8.923 1.00 0.00 H new ATOM 0 HA SER A 497 1.156 -32.717 -11.567 1.00 0.00 H new ATOM 0 HB2 SER A 497 -1.151 -32.240 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 497 -1.444 -32.317 -11.419 1.00 0.00 H new ATOM 0 HG SER A 497 -1.638 -34.396 -10.402 1.00 0.00 H new ATOM 1211 N PRO A 498 1.285 -30.489 -12.652 1.00 0.00 N ATOM 1212 CA PRO A 498 1.271 -29.232 -13.383 1.00 0.00 C ATOM 1213 C PRO A 498 -0.002 -29.101 -14.222 1.00 0.00 C ATOM 1214 O PRO A 498 -0.425 -27.991 -14.544 1.00 0.00 O ATOM 1215 CB PRO A 498 2.538 -29.251 -14.221 1.00 0.00 C ATOM 1216 CG PRO A 498 2.974 -30.706 -14.285 1.00 0.00 C ATOM 1217 CD PRO A 498 2.198 -31.472 -13.228 1.00 0.00 C ATOM 0 HA PRO A 498 1.258 -28.362 -12.726 1.00 0.00 H new ATOM 0 HB2 PRO A 498 2.352 -28.855 -15.219 1.00 0.00 H new ATOM 0 HB3 PRO A 498 3.313 -28.630 -13.771 1.00 0.00 H new ATOM 0 HG2 PRO A 498 2.780 -31.119 -15.275 1.00 0.00 H new ATOM 0 HG3 PRO A 498 4.046 -30.791 -14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 498 1.654 -32.309 -13.665 1.00 0.00 H new ATOM 0 HD3 PRO A 498 2.864 -31.886 -12.470 1.00 0.00 H new ATOM 1225 N CYS A 499 -0.576 -30.249 -14.552 1.00 0.00 N ATOM 1226 CA CYS A 499 -1.791 -30.275 -15.349 1.00 0.00 C ATOM 1227 C CYS A 499 -1.594 -29.358 -16.557 1.00 0.00 C ATOM 1228 O CYS A 499 -2.135 -28.255 -16.598 1.00 0.00 O ATOM 1229 CB CYS A 499 -3.017 -29.876 -14.524 1.00 0.00 C ATOM 1230 SG CYS A 499 -4.004 -31.280 -13.889 1.00 0.00 S ATOM 0 H CYS A 499 -0.223 -31.167 -14.282 1.00 0.00 H new ATOM 0 HA CYS A 499 -1.981 -31.292 -15.693 1.00 0.00 H new ATOM 0 HB2 CYS A 499 -2.688 -29.270 -13.680 1.00 0.00 H new ATOM 0 HB3 CYS A 499 -3.661 -29.245 -15.137 1.00 0.00 H new ATOM 1235 N LEU A 500 -0.816 -29.848 -17.511 1.00 0.00 N ATOM 1236 CA LEU A 500 -0.541 -29.087 -18.717 1.00 0.00 C ATOM 1237 C LEU A 500 -1.222 -29.763 -19.909 1.00 0.00 C ATOM 1238 O LEU A 500 -0.910 -30.907 -20.240 1.00 0.00 O ATOM 1239 CB LEU A 500 0.967 -28.895 -18.897 1.00 0.00 C ATOM 1240 CG LEU A 500 1.731 -30.090 -19.471 1.00 0.00 C ATOM 1241 CD1 LEU A 500 1.431 -31.364 -18.679 1.00 0.00 C ATOM 1242 CD2 LEU A 500 1.441 -30.263 -20.964 1.00 0.00 C ATOM 0 H LEU A 500 -0.367 -30.763 -17.473 1.00 0.00 H new ATOM 0 HA LEU A 500 -0.960 -28.084 -18.638 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.129 -28.038 -19.550 1.00 0.00 H new ATOM 0 HB3 LEU A 500 1.399 -28.644 -17.929 1.00 0.00 H new ATOM 0 HG LEU A 500 2.798 -29.891 -19.371 1.00 0.00 H new ATOM 0 HD11 LEU A 500 1.986 -32.198 -19.108 1.00 0.00 H new ATOM 0 HD12 LEU A 500 1.729 -31.225 -17.640 1.00 0.00 H new ATOM 0 HD13 LEU A 500 0.363 -31.578 -18.724 1.00 0.00 H new ATOM 0 HD21 LEU A 500 1.997 -31.119 -21.346 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.374 -30.429 -21.111 1.00 0.00 H new ATOM 0 HD23 LEU A 500 1.746 -29.364 -21.500 1.00 0.00 H new ATOM 1254 N HIS A 501 -2.137 -29.028 -20.521 1.00 0.00 N ATOM 1255 CA HIS A 501 -2.865 -29.542 -21.669 1.00 0.00 C ATOM 1256 C HIS A 501 -4.011 -30.436 -21.192 1.00 0.00 C ATOM 1257 O HIS A 501 -5.135 -30.325 -21.681 1.00 0.00 O ATOM 1258 CB HIS A 501 -1.920 -30.257 -22.636 1.00 0.00 C ATOM 1259 CG HIS A 501 -2.174 -31.741 -22.760 1.00 0.00 C ATOM 1260 ND1 HIS A 501 -1.651 -32.794 -22.070 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 -3.057 -32.275 -23.681 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 -2.188 -33.913 -22.543 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 -3.058 -33.593 -23.543 1.00 0.00 N flip ATOM 0 H HIS A 501 -2.392 -28.080 -20.244 1.00 0.00 H new ATOM 0 HA HIS A 501 -3.303 -28.714 -22.226 1.00 0.00 H new ATOM 0 HB2 HIS A 501 -2.011 -29.800 -23.621 1.00 0.00 H new ATOM 0 HB3 HIS A 501 -0.893 -30.101 -22.306 1.00 0.00 H new ATOM 0 HD1 HIS A 501 -0.964 -32.733 -21.318 1.00 0.00 H new ATOM 0 HD2 HIS A 501 -3.645 -31.713 -24.392 1.00 0.00 H new ATOM 0 HE1 HIS A 501 -1.971 -34.912 -22.193 1.00 0.00 H new ATOM 1271 N ASN A 502 -3.689 -31.302 -20.242 1.00 0.00 N ATOM 1272 CA ASN A 502 -4.677 -32.214 -19.693 1.00 0.00 C ATOM 1273 C ASN A 502 -5.714 -31.417 -18.898 1.00 0.00 C ATOM 1274 O ASN A 502 -6.799 -31.919 -18.608 1.00 0.00 O ATOM 1275 CB ASN A 502 -4.028 -33.223 -18.745 1.00 0.00 C ATOM 1276 CG ASN A 502 -3.792 -34.563 -19.446 1.00 0.00 C ATOM 1277 OD1 ASN A 502 -4.598 -35.030 -20.235 1.00 0.00 O ATOM 1278 ND2 ASN A 502 -2.646 -35.151 -19.117 1.00 0.00 N ATOM 0 H ASN A 502 -2.756 -31.391 -19.838 1.00 0.00 H new ATOM 0 HA ASN A 502 -5.142 -32.746 -20.522 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -3.080 -32.827 -18.381 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -4.667 -33.372 -17.874 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -2.396 -36.048 -19.532 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -2.017 -34.705 -18.449 1.00 0.00 H new ATOM 1285 N GLY A 503 -5.344 -30.188 -18.568 1.00 0.00 N ATOM 1286 CA GLY A 503 -6.228 -29.317 -17.813 1.00 0.00 C ATOM 1287 C GLY A 503 -5.438 -28.214 -17.107 1.00 0.00 C ATOM 1288 O GLY A 503 -4.305 -27.918 -17.483 1.00 0.00 O ATOM 0 H GLY A 503 -4.443 -29.775 -18.810 1.00 0.00 H new ATOM 0 HA2 GLY A 503 -6.964 -28.871 -18.482 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -6.780 -29.902 -17.077 1.00 0.00 H new ATOM 1292 N ARG A 504 -6.069 -27.635 -16.094 1.00 0.00 N ATOM 1293 CA ARG A 504 -5.439 -26.569 -15.332 1.00 0.00 C ATOM 1294 C ARG A 504 -5.469 -26.897 -13.838 1.00 0.00 C ATOM 1295 O ARG A 504 -6.460 -27.425 -13.336 1.00 0.00 O ATOM 1296 CB ARG A 504 -6.143 -25.233 -15.569 1.00 0.00 C ATOM 1297 CG ARG A 504 -5.137 -24.142 -15.945 1.00 0.00 C ATOM 1298 CD ARG A 504 -5.259 -22.939 -15.008 1.00 0.00 C ATOM 1299 NE ARG A 504 -5.399 -21.694 -15.798 1.00 0.00 N ATOM 1300 CZ ARG A 504 -6.472 -21.401 -16.563 1.00 0.00 C ATOM 1301 NH1 ARG A 504 -7.510 -22.260 -16.647 1.00 0.00 N ATOM 1302 NH2 ARG A 504 -6.493 -20.259 -17.227 1.00 0.00 N ATOM 0 H ARG A 504 -7.008 -27.884 -15.784 1.00 0.00 H new ATOM 0 HA ARG A 504 -4.406 -26.486 -15.668 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -6.880 -25.342 -16.364 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -6.685 -24.939 -14.670 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -4.125 -24.543 -15.898 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -5.306 -23.825 -16.974 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -6.122 -23.063 -14.354 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -4.379 -22.876 -14.367 1.00 0.00 H new ATOM 0 HE ARG A 504 -4.638 -21.016 -15.762 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -7.488 -23.139 -16.130 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -8.317 -22.030 -17.228 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -5.706 -19.614 -17.157 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -7.296 -20.022 -17.810 1.00 0.00 H new ATOM 1315 N CYS A 505 -4.372 -26.571 -13.171 1.00 0.00 N ATOM 1316 CA CYS A 505 -4.261 -26.825 -11.745 1.00 0.00 C ATOM 1317 C CYS A 505 -4.592 -25.530 -11.000 1.00 0.00 C ATOM 1318 O CYS A 505 -3.904 -24.523 -11.160 1.00 0.00 O ATOM 1319 CB CYS A 505 -2.875 -27.358 -11.371 1.00 0.00 C ATOM 1320 SG CYS A 505 -1.503 -26.175 -11.625 1.00 0.00 S ATOM 0 H CYS A 505 -3.552 -26.133 -13.592 1.00 0.00 H new ATOM 0 HA CYS A 505 -4.968 -27.602 -11.456 1.00 0.00 H new ATOM 0 HB2 CYS A 505 -2.887 -27.659 -10.323 1.00 0.00 H new ATOM 0 HB3 CYS A 505 -2.676 -28.255 -11.958 1.00 0.00 H new ATOM 1325 N LEU A 506 -5.648 -25.598 -10.202 1.00 0.00 N ATOM 1326 CA LEU A 506 -6.081 -24.444 -9.431 1.00 0.00 C ATOM 1327 C LEU A 506 -5.563 -24.572 -7.997 1.00 0.00 C ATOM 1328 O LEU A 506 -5.368 -25.680 -7.499 1.00 0.00 O ATOM 1329 CB LEU A 506 -7.599 -24.276 -9.525 1.00 0.00 C ATOM 1330 CG LEU A 506 -8.094 -23.195 -10.488 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -7.652 -23.495 -11.922 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -9.610 -23.019 -10.380 1.00 0.00 C ATOM 0 H LEU A 506 -6.217 -26.435 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 506 -5.657 -23.528 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -8.033 -25.230 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -7.982 -24.052 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 506 -7.638 -22.247 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -8.017 -22.712 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -6.564 -23.532 -11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -8.061 -24.456 -12.235 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -9.937 -22.245 -11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -10.104 -23.959 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -9.871 -22.727 -9.363 1.00 0.00 H new ATOM 1344 N ASP A 507 -5.355 -23.422 -7.373 1.00 0.00 N ATOM 1345 CA ASP A 507 -4.865 -23.390 -6.005 1.00 0.00 C ATOM 1346 C ASP A 507 -5.993 -22.942 -5.073 1.00 0.00 C ATOM 1347 O ASP A 507 -6.154 -21.749 -4.818 1.00 0.00 O ATOM 1348 CB ASP A 507 -3.708 -22.401 -5.858 1.00 0.00 C ATOM 1349 CG ASP A 507 -3.387 -21.991 -4.420 1.00 0.00 C ATOM 1350 OD1 ASP A 507 -3.233 -20.799 -4.113 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -3.293 -22.968 -3.583 1.00 0.00 O ATOM 0 H ASP A 507 -5.517 -22.505 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 507 -4.518 -24.391 -5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -2.815 -22.841 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -3.941 -21.504 -6.432 1.00 0.00 H new ATOM 1357 N LYS A 508 -6.745 -23.920 -4.592 1.00 0.00 N ATOM 1358 CA LYS A 508 -7.852 -23.642 -3.694 1.00 0.00 C ATOM 1359 C LYS A 508 -7.321 -23.491 -2.268 1.00 0.00 C ATOM 1360 O LYS A 508 -6.251 -24.002 -1.942 1.00 0.00 O ATOM 1361 CB LYS A 508 -8.939 -24.709 -3.836 1.00 0.00 C ATOM 1362 CG LYS A 508 -9.277 -24.955 -5.308 1.00 0.00 C ATOM 1363 CD LYS A 508 -10.790 -24.924 -5.537 1.00 0.00 C ATOM 1364 CE LYS A 508 -11.195 -23.691 -6.345 1.00 0.00 C ATOM 1365 NZ LYS A 508 -11.575 -22.580 -5.443 1.00 0.00 N ATOM 0 H LYS A 508 -6.609 -24.908 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 508 -8.329 -22.698 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -8.603 -25.638 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -9.835 -24.394 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -8.797 -24.197 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -8.878 -25.920 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -11.101 -25.827 -6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -11.307 -24.921 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -10.369 -23.381 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -12.031 -23.937 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -11.847 -21.751 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -12.378 -22.873 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -10.767 -22.334 -4.835 1.00 0.00 H new ATOM 1378 N ILE A 509 -8.094 -22.787 -1.454 1.00 0.00 N ATOM 1379 CA ILE A 509 -7.715 -22.563 -0.069 1.00 0.00 C ATOM 1380 C ILE A 509 -7.903 -23.857 0.723 1.00 0.00 C ATOM 1381 O ILE A 509 -8.818 -23.962 1.540 1.00 0.00 O ATOM 1382 CB ILE A 509 -8.480 -21.371 0.510 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -8.519 -20.208 -0.485 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -7.900 -20.950 1.861 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -9.889 -20.108 -1.159 1.00 0.00 C ATOM 0 H ILE A 509 -8.981 -22.364 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 509 -6.660 -22.298 -0.001 1.00 0.00 H new ATOM 0 HB ILE A 509 -9.511 -21.680 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -8.295 -19.275 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -7.747 -20.346 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -8.462 -20.101 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -7.969 -21.782 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -6.855 -20.666 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.889 -19.274 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -10.099 -21.033 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -10.656 -19.945 -0.402 1.00 0.00 H new ATOM 1397 N ASN A 510 -7.026 -24.812 0.453 1.00 0.00 N ATOM 1398 CA ASN A 510 -7.084 -26.096 1.131 1.00 0.00 C ATOM 1399 C ASN A 510 -6.398 -27.156 0.267 1.00 0.00 C ATOM 1400 O ASN A 510 -5.647 -27.986 0.776 1.00 0.00 O ATOM 1401 CB ASN A 510 -8.532 -26.534 1.356 1.00 0.00 C ATOM 1402 CG ASN A 510 -8.955 -26.303 2.808 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -8.276 -26.682 3.748 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -10.114 -25.662 2.938 1.00 0.00 N ATOM 0 H ASN A 510 -6.271 -24.723 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 510 -6.585 -25.992 2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -9.191 -25.979 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -8.640 -27.589 1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -10.484 -25.460 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -10.632 -25.372 2.109 1.00 0.00 H new ATOM 1411 N GLU A 511 -6.680 -27.092 -1.027 1.00 0.00 N ATOM 1412 CA GLU A 511 -6.100 -28.036 -1.967 1.00 0.00 C ATOM 1413 C GLU A 511 -6.146 -27.467 -3.386 1.00 0.00 C ATOM 1414 O GLU A 511 -6.523 -26.313 -3.586 1.00 0.00 O ATOM 1415 CB GLU A 511 -6.811 -29.388 -1.895 1.00 0.00 C ATOM 1416 CG GLU A 511 -8.240 -29.285 -2.431 1.00 0.00 C ATOM 1417 CD GLU A 511 -8.608 -30.526 -3.248 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -8.534 -31.651 -2.735 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -8.987 -30.288 -4.459 1.00 0.00 O ATOM 0 H GLU A 511 -7.302 -26.401 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 511 -5.057 -28.197 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -6.255 -30.127 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -6.830 -29.738 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -8.937 -29.172 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -8.336 -28.394 -3.052 1.00 0.00 H new ATOM 1427 N PHE A 512 -5.756 -28.302 -4.337 1.00 0.00 N ATOM 1428 CA PHE A 512 -5.747 -27.897 -5.732 1.00 0.00 C ATOM 1429 C PHE A 512 -6.764 -28.703 -6.543 1.00 0.00 C ATOM 1430 O PHE A 512 -6.971 -29.888 -6.286 1.00 0.00 O ATOM 1431 CB PHE A 512 -4.344 -28.179 -6.273 1.00 0.00 C ATOM 1432 CG PHE A 512 -4.073 -29.657 -6.561 1.00 0.00 C ATOM 1433 CD1 PHE A 512 -3.766 -30.504 -5.542 1.00 0.00 C ATOM 1434 CD2 PHE A 512 -4.143 -30.124 -7.837 1.00 0.00 C ATOM 1435 CE1 PHE A 512 -3.514 -31.875 -5.810 1.00 0.00 C ATOM 1436 CE2 PHE A 512 -3.891 -31.496 -8.104 1.00 0.00 C ATOM 1437 CZ PHE A 512 -3.584 -32.344 -7.086 1.00 0.00 C ATOM 0 H PHE A 512 -5.444 -29.258 -4.169 1.00 0.00 H new ATOM 0 HA PHE A 512 -6.009 -26.842 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 512 -4.198 -27.608 -7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 512 -3.609 -27.819 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 512 -3.714 -30.133 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 512 -4.390 -29.452 -8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 512 -3.267 -32.546 -5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 512 -3.943 -31.867 -9.117 1.00 0.00 H new ATOM 0 HZ PHE A 512 -3.396 -33.388 -7.290 1.00 0.00 H new ATOM 1447 N GLN A 513 -7.372 -28.028 -7.509 1.00 0.00 N ATOM 1448 CA GLN A 513 -8.361 -28.667 -8.359 1.00 0.00 C ATOM 1449 C GLN A 513 -7.903 -28.641 -9.818 1.00 0.00 C ATOM 1450 O GLN A 513 -7.891 -27.585 -10.450 1.00 0.00 O ATOM 1451 CB GLN A 513 -9.731 -28.002 -8.202 1.00 0.00 C ATOM 1452 CG GLN A 513 -10.850 -28.935 -8.665 1.00 0.00 C ATOM 1453 CD GLN A 513 -11.540 -28.388 -9.916 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -10.988 -28.373 -11.005 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -12.774 -27.940 -9.701 1.00 0.00 N ATOM 0 H GLN A 513 -7.198 -27.046 -7.721 1.00 0.00 H new ATOM 0 HA GLN A 513 -8.461 -29.707 -8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -9.889 -27.729 -7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -9.760 -27.079 -8.781 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -10.441 -29.923 -8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -11.581 -29.056 -7.866 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -13.176 -27.982 -8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -13.318 -27.554 -10.473 1.00 0.00 H new ATOM 1464 N CYS A 514 -7.539 -29.815 -10.313 1.00 0.00 N ATOM 1465 CA CYS A 514 -7.081 -29.940 -11.686 1.00 0.00 C ATOM 1466 C CYS A 514 -8.306 -29.919 -12.604 1.00 0.00 C ATOM 1467 O CYS A 514 -8.793 -30.969 -13.019 1.00 0.00 O ATOM 1468 CB CYS A 514 -6.238 -31.201 -11.888 1.00 0.00 C ATOM 1469 SG CYS A 514 -4.433 -30.910 -11.979 1.00 0.00 S ATOM 0 H CYS A 514 -7.552 -30.689 -9.787 1.00 0.00 H new ATOM 0 HA CYS A 514 -6.428 -29.103 -11.933 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -6.440 -31.891 -11.069 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -6.559 -31.693 -12.806 1.00 0.00 H new ATOM 1474 N GLU A 515 -8.766 -28.711 -12.893 1.00 0.00 N ATOM 1475 CA GLU A 515 -9.924 -28.539 -13.755 1.00 0.00 C ATOM 1476 C GLU A 515 -9.671 -29.185 -15.119 1.00 0.00 C ATOM 1477 O GLU A 515 -8.539 -29.543 -15.440 1.00 0.00 O ATOM 1478 CB GLU A 515 -10.279 -27.058 -13.907 1.00 0.00 C ATOM 1479 CG GLU A 515 -9.206 -26.315 -14.704 1.00 0.00 C ATOM 1480 CD GLU A 515 -9.815 -25.162 -15.502 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -10.696 -24.453 -14.993 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -9.342 -25.011 -16.693 1.00 0.00 O ATOM 0 H GLU A 515 -8.359 -27.842 -12.546 1.00 0.00 H new ATOM 0 HA GLU A 515 -10.775 -29.037 -13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -11.242 -26.961 -14.409 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -10.385 -26.603 -12.922 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -8.445 -25.930 -14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 515 -8.707 -27.007 -15.382 1.00 0.00 H new ATOM 1490 N CYS A 516 -10.745 -29.315 -15.885 1.00 0.00 N ATOM 1491 CA CYS A 516 -10.654 -29.911 -17.207 1.00 0.00 C ATOM 1492 C CYS A 516 -10.605 -28.783 -18.239 1.00 0.00 C ATOM 1493 O CYS A 516 -11.336 -27.801 -18.127 1.00 0.00 O ATOM 1494 CB CYS A 516 -11.811 -30.877 -17.471 1.00 0.00 C ATOM 1495 SG CYS A 516 -11.396 -32.647 -17.259 1.00 0.00 S ATOM 0 H CYS A 516 -11.683 -29.018 -15.615 1.00 0.00 H new ATOM 0 HA CYS A 516 -9.745 -30.508 -17.279 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -12.634 -30.628 -16.801 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -12.171 -30.722 -18.488 1.00 0.00 H new ATOM 0 HG CYS A 516 -12.447 -33.372 -17.505 1.00 0.00 H new ATOM 1500 N PRO A 517 -9.713 -28.968 -19.250 1.00 0.00 N ATOM 1501 CA PRO A 517 -9.557 -27.979 -20.302 1.00 0.00 C ATOM 1502 C PRO A 517 -10.731 -28.034 -21.282 1.00 0.00 C ATOM 1503 O PRO A 517 -11.608 -28.887 -21.159 1.00 0.00 O ATOM 1504 CB PRO A 517 -8.223 -28.303 -20.954 1.00 0.00 C ATOM 1505 CG PRO A 517 -7.901 -29.734 -20.554 1.00 0.00 C ATOM 1506 CD PRO A 517 -8.830 -30.121 -19.415 1.00 0.00 C ATOM 0 HA PRO A 517 -9.560 -26.957 -19.923 1.00 0.00 H new ATOM 0 HB2 PRO A 517 -8.284 -28.205 -22.038 1.00 0.00 H new ATOM 0 HB3 PRO A 517 -7.446 -27.618 -20.615 1.00 0.00 H new ATOM 0 HG2 PRO A 517 -8.035 -30.406 -21.401 1.00 0.00 H new ATOM 0 HG3 PRO A 517 -6.860 -29.818 -20.242 1.00 0.00 H new ATOM 0 HD2 PRO A 517 -9.395 -31.022 -19.653 1.00 0.00 H new ATOM 0 HD3 PRO A 517 -8.272 -30.327 -18.501 1.00 0.00 H new