USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 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 462 GLN :FLIP amide:sc= -1.53! F(o=-3.8,f=-2.4!) USER MOD Set 1.2: A 463 ASN :FLIP amide:sc= -0.838! F(o=-5.1,f=-2.4!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.476 K(o=-0.48,f=-1.2) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -0.285 F(o=-2,f=-0.28) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -1.98 K(o=-2,f=-5.9!) USER MOD Single : A 432 THR OG1 : rot -80:sc= -5.28! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.88) USER MOD Single : A 442 GLN :FLIP amide:sc= -0.829! C(o=-1.4!,f=-0.83!) USER MOD Single : A 444 TYR OH : rot 180:sc= -6.43! USER MOD Single : A 445 THR OG1 : rot 180:sc= 0.171! USER MOD Single : A 454 ASN : amide:sc= -2.69 K(o=-2.7,f=-11!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -3.09! C(o=-4.5!,f=-3.1!) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 GLN : amide:sc= -3.63 K(o=-3.6,f=-6.6!) USER MOD Single : A 475 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.22) 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= -2.56! C(o=-4.4!,f=-2.6!) USER MOD Single : A 490 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.34) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot -96:sc= -0.277! USER MOD Single : A 501 HIS :FLIP no HD1:sc= -2.61! C(o=-5.4!,f=-2.6!) USER MOD Single : A 502 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 516 CYS SG : rot -43:sc= -0.23 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 1.848 34.758 6.303 1.00 0.00 N ATOM 19 CA ASP A 412 0.561 34.392 6.867 1.00 0.00 C ATOM 20 C ASP A 412 0.781 33.582 8.146 1.00 0.00 C ATOM 21 O ASP A 412 1.917 33.263 8.495 1.00 0.00 O ATOM 22 CB ASP A 412 -0.240 33.525 5.893 1.00 0.00 C ATOM 23 CG ASP A 412 -1.712 33.327 6.262 1.00 0.00 C ATOM 24 OD1 ASP A 412 -2.601 34.009 5.732 1.00 0.00 O ATOM 25 OD2 ASP A 412 -1.934 32.415 7.147 1.00 0.00 O ATOM 0 HA ASP A 412 0.010 35.310 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.187 33.975 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 412 0.236 32.547 5.825 1.00 0.00 H new ATOM 31 N VAL A 413 -0.322 33.275 8.812 1.00 0.00 N ATOM 32 CA VAL A 413 -0.264 32.509 10.046 1.00 0.00 C ATOM 33 C VAL A 413 -0.161 31.020 9.712 1.00 0.00 C ATOM 34 O VAL A 413 -0.736 30.559 8.727 1.00 0.00 O ATOM 35 CB VAL A 413 -1.471 32.842 10.926 1.00 0.00 C ATOM 36 CG1 VAL A 413 -2.585 31.811 10.740 1.00 0.00 C ATOM 37 CG2 VAL A 413 -1.062 32.952 12.397 1.00 0.00 C ATOM 0 H VAL A 413 -1.262 33.543 8.520 1.00 0.00 H new ATOM 0 HA VAL A 413 0.623 32.776 10.620 1.00 0.00 H new ATOM 0 HB VAL A 413 -1.858 33.812 10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.431 32.071 11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -2.904 31.804 9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.215 30.823 11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -1.938 33.189 13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.638 32.004 12.729 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.319 33.741 12.510 1.00 0.00 H new ATOM 47 N ASP A 414 0.577 30.307 10.551 1.00 0.00 N ATOM 48 CA ASP A 414 0.763 28.879 10.358 1.00 0.00 C ATOM 49 C ASP A 414 -0.338 28.121 11.103 1.00 0.00 C ATOM 50 O ASP A 414 -0.119 27.632 12.209 1.00 0.00 O ATOM 51 CB ASP A 414 2.112 28.419 10.911 1.00 0.00 C ATOM 52 CG ASP A 414 2.595 27.062 10.395 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.743 26.661 10.633 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.724 26.400 9.710 1.00 0.00 O ATOM 0 H ASP A 414 1.053 30.692 11.366 1.00 0.00 H new ATOM 0 HA ASP A 414 0.725 28.676 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.863 29.171 10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.046 28.375 11.998 1.00 0.00 H new ATOM 60 N GLU A 415 -1.498 28.047 10.466 1.00 0.00 N ATOM 61 CA GLU A 415 -2.632 27.356 11.055 1.00 0.00 C ATOM 62 C GLU A 415 -2.246 25.923 11.428 1.00 0.00 C ATOM 63 O GLU A 415 -2.953 25.264 12.189 1.00 0.00 O ATOM 64 CB GLU A 415 -3.833 27.370 10.108 1.00 0.00 C ATOM 65 CG GLU A 415 -4.409 28.782 9.975 1.00 0.00 C ATOM 66 CD GLU A 415 -4.228 29.316 8.553 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.950 30.509 8.368 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.384 28.441 7.618 1.00 0.00 O ATOM 0 H GLU A 415 -1.676 28.454 9.548 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.921 27.882 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.532 27.002 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.602 26.693 10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.468 28.772 10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.916 29.448 10.683 1.00 0.00 H new ATOM 76 N CYS A 416 -1.124 25.484 10.877 1.00 0.00 N ATOM 77 CA CYS A 416 -0.636 24.141 11.142 1.00 0.00 C ATOM 78 C CYS A 416 0.199 24.179 12.424 1.00 0.00 C ATOM 79 O CYS A 416 0.400 23.152 13.069 1.00 0.00 O ATOM 80 CB CYS A 416 0.159 23.585 9.960 1.00 0.00 C ATOM 81 SG CYS A 416 1.977 23.704 10.131 1.00 0.00 S ATOM 0 H CYS A 416 -0.539 26.034 10.248 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.480 23.464 11.278 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -0.110 22.538 9.820 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -0.142 24.115 9.057 1.00 0.00 H new ATOM 86 N SER A 417 0.666 25.375 12.754 1.00 0.00 N ATOM 87 CA SER A 417 1.475 25.560 13.946 1.00 0.00 C ATOM 88 C SER A 417 0.596 26.034 15.106 1.00 0.00 C ATOM 89 O SER A 417 1.008 25.982 16.264 1.00 0.00 O ATOM 90 CB SER A 417 2.606 26.559 13.695 1.00 0.00 C ATOM 91 OG SER A 417 3.700 26.361 14.585 1.00 0.00 O ATOM 0 H SER A 417 0.499 26.225 12.216 1.00 0.00 H new ATOM 0 HA SER A 417 1.925 24.602 14.206 1.00 0.00 H new ATOM 0 HB2 SER A 417 2.953 26.462 12.666 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.225 27.574 13.809 1.00 0.00 H new ATOM 0 HG SER A 417 4.402 27.017 14.392 1.00 0.00 H new ATOM 97 N LEU A 418 -0.599 26.485 14.755 1.00 0.00 N ATOM 98 CA LEU A 418 -1.539 26.967 15.753 1.00 0.00 C ATOM 99 C LEU A 418 -2.105 25.778 16.532 1.00 0.00 C ATOM 100 O LEU A 418 -1.544 25.376 17.551 1.00 0.00 O ATOM 101 CB LEU A 418 -2.614 27.840 15.099 1.00 0.00 C ATOM 102 CG LEU A 418 -2.229 29.300 14.848 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.673 29.752 13.456 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.779 30.209 15.950 1.00 0.00 C ATOM 0 H LEU A 418 -0.938 26.527 13.794 1.00 0.00 H new ATOM 0 HA LEU A 418 -1.032 27.609 16.474 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.891 27.389 14.146 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.502 27.822 15.730 1.00 0.00 H new ATOM 0 HG LEU A 418 -1.142 29.378 14.880 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -2.387 30.793 13.303 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -2.193 29.129 12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.755 29.656 13.370 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -2.491 31.241 15.748 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.866 30.134 15.975 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -2.372 29.901 16.913 1.00 0.00 H new ATOM 116 N GLY A 419 -3.206 25.248 16.023 1.00 0.00 N ATOM 117 CA GLY A 419 -3.853 24.113 16.659 1.00 0.00 C ATOM 118 C GLY A 419 -4.650 23.293 15.640 1.00 0.00 C ATOM 119 O GLY A 419 -5.577 22.572 16.006 1.00 0.00 O ATOM 0 H GLY A 419 -3.667 25.583 15.177 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -3.102 23.480 17.133 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -4.518 24.464 17.448 1.00 0.00 H new ATOM 123 N ALA A 420 -4.261 23.435 14.381 1.00 0.00 N ATOM 124 CA ALA A 420 -4.926 22.718 13.307 1.00 0.00 C ATOM 125 C ALA A 420 -3.892 21.914 12.518 1.00 0.00 C ATOM 126 O ALA A 420 -3.378 22.384 11.504 1.00 0.00 O ATOM 127 CB ALA A 420 -5.690 23.711 12.427 1.00 0.00 C ATOM 0 H ALA A 420 -3.494 24.036 14.081 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.653 22.012 13.709 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.189 23.173 11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.433 24.234 13.029 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.992 24.434 12.004 1.00 0.00 H new ATOM 133 N ASN A 421 -3.615 20.717 13.012 1.00 0.00 N ATOM 134 CA ASN A 421 -2.651 19.844 12.366 1.00 0.00 C ATOM 135 C ASN A 421 -3.369 18.599 11.840 1.00 0.00 C ATOM 136 O ASN A 421 -3.740 17.719 12.613 1.00 0.00 O ATOM 137 CB ASN A 421 -1.574 19.386 13.351 1.00 0.00 C ATOM 138 CG ASN A 421 -0.280 19.026 12.621 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.429 19.873 12.104 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.012 17.723 12.607 1.00 0.00 N ATOM 0 H ASN A 421 -4.042 20.331 13.854 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.184 20.402 11.554 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.379 20.177 14.075 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.932 18.522 13.911 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.830 17.380 12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.648 17.067 13.059 1.00 0.00 H new ATOM 147 N PRO A 422 -3.548 18.566 10.491 1.00 0.00 N ATOM 148 CA PRO A 422 -4.214 17.444 9.853 1.00 0.00 C ATOM 149 C PRO A 422 -3.297 16.221 9.796 1.00 0.00 C ATOM 150 O PRO A 422 -3.756 15.088 9.938 1.00 0.00 O ATOM 151 CB PRO A 422 -4.609 17.953 8.477 1.00 0.00 C ATOM 152 CG PRO A 422 -3.747 19.178 8.222 1.00 0.00 C ATOM 153 CD PRO A 422 -3.121 19.591 9.543 1.00 0.00 C ATOM 0 HA PRO A 422 -5.090 17.106 10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.440 17.191 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.668 18.207 8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.974 18.954 7.487 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.349 19.990 7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.034 19.635 9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.460 20.580 9.850 1.00 0.00 H new ATOM 161 N CYS A 423 -2.016 16.490 9.590 1.00 0.00 N ATOM 162 CA CYS A 423 -1.029 15.425 9.515 1.00 0.00 C ATOM 163 C CYS A 423 -1.312 14.428 10.640 1.00 0.00 C ATOM 164 O CYS A 423 -0.927 13.263 10.552 1.00 0.00 O ATOM 165 CB CYS A 423 0.399 15.972 9.579 1.00 0.00 C ATOM 166 SG CYS A 423 0.708 17.439 8.532 1.00 0.00 S ATOM 0 H CYS A 423 -1.638 17.430 9.473 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.109 14.917 8.554 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.629 16.227 10.614 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.089 15.181 9.284 1.00 0.00 H new ATOM 171 N GLU A 424 -1.980 14.921 11.672 1.00 0.00 N ATOM 172 CA GLU A 424 -2.317 14.088 12.812 1.00 0.00 C ATOM 173 C GLU A 424 -1.055 13.729 13.599 1.00 0.00 C ATOM 174 O GLU A 424 -0.569 14.529 14.397 1.00 0.00 O ATOM 175 CB GLU A 424 -3.066 12.828 12.370 1.00 0.00 C ATOM 176 CG GLU A 424 -4.575 13.073 12.327 1.00 0.00 C ATOM 177 CD GLU A 424 -5.278 12.373 13.491 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.941 12.623 14.659 1.00 0.00 O ATOM 179 OE2 GLU A 424 -6.203 11.542 13.149 1.00 0.00 O ATOM 0 H GLU A 424 -2.297 15.888 11.742 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.981 14.653 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.716 12.520 11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.846 12.011 13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.774 14.144 12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -4.979 12.710 11.382 1.00 0.00 H new ATOM 187 N HIS A 425 -0.562 12.526 13.347 1.00 0.00 N ATOM 188 CA HIS A 425 0.634 12.050 14.021 1.00 0.00 C ATOM 189 C HIS A 425 1.557 11.367 13.010 1.00 0.00 C ATOM 190 O HIS A 425 2.100 10.299 13.284 1.00 0.00 O ATOM 191 CB HIS A 425 0.269 11.143 15.199 1.00 0.00 C ATOM 192 CG HIS A 425 -0.135 11.891 16.448 1.00 0.00 C ATOM 193 ND1 HIS A 425 -1.056 12.879 16.635 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 0.435 11.645 17.685 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -1.051 13.218 17.920 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 -0.127 12.455 18.571 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.969 11.866 12.685 1.00 0.00 H new ATOM 0 HA HIS A 425 1.178 12.895 14.443 1.00 0.00 H new ATOM 0 HB2 HIS A 425 -0.549 10.488 14.900 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.121 10.504 15.430 1.00 0.00 H new ATOM 0 HD2 HIS A 425 1.206 10.918 17.893 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -1.676 13.973 18.374 1.00 0.00 H new ATOM 0 HE2 HIS A 425 0.093 12.500 19.566 1.00 0.00 H new ATOM 204 N ALA A 426 1.705 12.013 11.862 1.00 0.00 N ATOM 205 CA ALA A 426 2.551 11.480 10.808 1.00 0.00 C ATOM 206 C ALA A 426 2.327 12.284 9.526 1.00 0.00 C ATOM 207 O ALA A 426 1.382 12.022 8.782 1.00 0.00 O ATOM 208 CB ALA A 426 2.261 9.991 10.622 1.00 0.00 C ATOM 0 H ALA A 426 1.253 12.900 11.639 1.00 0.00 H new ATOM 0 HA ALA A 426 3.603 11.574 11.076 1.00 0.00 H new ATOM 0 HB1 ALA A 426 2.896 9.593 9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.465 9.462 11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.214 9.855 10.349 1.00 0.00 H new ATOM 214 N GLY A 427 3.212 13.245 9.304 1.00 0.00 N ATOM 215 CA GLY A 427 3.122 14.087 8.124 1.00 0.00 C ATOM 216 C GLY A 427 3.855 15.412 8.339 1.00 0.00 C ATOM 217 O GLY A 427 4.329 15.692 9.439 1.00 0.00 O ATOM 0 H GLY A 427 3.995 13.459 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.549 13.566 7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.075 14.280 7.890 1.00 0.00 H new ATOM 221 N LYS A 428 3.923 16.194 7.272 1.00 0.00 N ATOM 222 CA LYS A 428 4.590 17.484 7.330 1.00 0.00 C ATOM 223 C LYS A 428 3.541 18.596 7.360 1.00 0.00 C ATOM 224 O LYS A 428 2.541 18.529 6.647 1.00 0.00 O ATOM 225 CB LYS A 428 5.597 17.619 6.186 1.00 0.00 C ATOM 226 CG LYS A 428 6.948 18.120 6.700 1.00 0.00 C ATOM 227 CD LYS A 428 6.850 19.569 7.177 1.00 0.00 C ATOM 228 CE LYS A 428 7.797 20.474 6.387 1.00 0.00 C ATOM 229 NZ LYS A 428 8.935 20.900 7.232 1.00 0.00 N ATOM 0 H LYS A 428 3.527 15.959 6.362 1.00 0.00 H new ATOM 0 HA LYS A 428 5.172 17.570 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.726 16.655 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.211 18.309 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.287 17.486 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.693 18.044 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 428 5.825 19.923 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.092 19.623 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.167 19.944 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.256 21.349 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 9.567 21.514 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 8.578 21.424 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.460 20.062 7.555 1.00 0.00 H new ATOM 242 N CYS A 429 3.803 19.592 8.193 1.00 0.00 N ATOM 243 CA CYS A 429 2.891 20.716 8.326 1.00 0.00 C ATOM 244 C CYS A 429 3.659 21.997 7.993 1.00 0.00 C ATOM 245 O CYS A 429 4.645 22.324 8.654 1.00 0.00 O ATOM 246 CB CYS A 429 2.263 20.773 9.719 1.00 0.00 C ATOM 247 SG CYS A 429 2.847 22.154 10.770 1.00 0.00 S ATOM 0 H CYS A 429 4.634 19.644 8.783 1.00 0.00 H new ATOM 0 HA CYS A 429 2.060 20.599 7.630 1.00 0.00 H new ATOM 0 HB2 CYS A 429 1.181 20.850 9.611 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.466 19.833 10.232 1.00 0.00 H new ATOM 252 N ILE A 430 3.180 22.688 6.970 1.00 0.00 N ATOM 253 CA ILE A 430 3.809 23.926 6.543 1.00 0.00 C ATOM 254 C ILE A 430 2.783 25.061 6.602 1.00 0.00 C ATOM 255 O ILE A 430 1.592 24.817 6.784 1.00 0.00 O ATOM 256 CB ILE A 430 4.453 23.752 5.166 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.118 22.382 4.573 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.963 23.993 5.235 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.810 21.262 5.354 1.00 0.00 C ATOM 0 H ILE A 430 2.363 22.414 6.424 1.00 0.00 H new ATOM 0 HA ILE A 430 4.621 24.193 7.219 1.00 0.00 H new ATOM 0 HB ILE A 430 4.036 24.503 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 430 3.039 22.229 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.429 22.348 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.398 23.863 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.154 25.007 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.414 23.280 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.555 20.299 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.890 21.405 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.478 21.284 6.392 1.00 0.00 H new ATOM 271 N ASN A 431 3.284 26.277 6.443 1.00 0.00 N ATOM 272 CA ASN A 431 2.427 27.450 6.476 1.00 0.00 C ATOM 273 C ASN A 431 2.298 28.022 5.063 1.00 0.00 C ATOM 274 O ASN A 431 3.292 28.147 4.347 1.00 0.00 O ATOM 275 CB ASN A 431 3.015 28.538 7.375 1.00 0.00 C ATOM 276 CG ASN A 431 2.096 29.759 7.434 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.916 29.694 7.132 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.699 30.873 7.836 1.00 0.00 N ATOM 0 H ASN A 431 4.273 26.476 6.291 1.00 0.00 H new ATOM 0 HA ASN A 431 1.456 27.146 6.867 1.00 0.00 H new ATOM 0 HB2 ASN A 431 3.165 28.143 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.995 28.834 7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 431 2.170 31.742 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.691 30.859 8.074 1.00 0.00 H new ATOM 285 N THR A 432 1.068 28.357 4.704 1.00 0.00 N ATOM 286 CA THR A 432 0.798 28.914 3.387 1.00 0.00 C ATOM 287 C THR A 432 0.019 30.224 3.515 1.00 0.00 C ATOM 288 O THR A 432 -0.524 30.528 4.575 1.00 0.00 O ATOM 289 CB THR A 432 0.069 27.850 2.565 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.266 26.843 3.517 1.00 0.00 O ATOM 291 CG2 THR A 432 0.996 27.137 1.579 1.00 0.00 C ATOM 0 H THR A 432 0.247 28.254 5.300 1.00 0.00 H new ATOM 0 HA THR A 432 1.721 29.170 2.867 1.00 0.00 H new ATOM 0 HB THR A 432 -0.754 28.313 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 432 0.518 26.280 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.429 26.392 1.021 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.420 27.865 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.801 26.646 2.126 1.00 0.00 H new ATOM 299 N LEU A 433 -0.011 30.965 2.416 1.00 0.00 N ATOM 300 CA LEU A 433 -0.715 32.236 2.390 1.00 0.00 C ATOM 301 C LEU A 433 -2.223 31.980 2.414 1.00 0.00 C ATOM 302 O LEU A 433 -2.749 31.272 1.556 1.00 0.00 O ATOM 303 CB LEU A 433 -0.253 33.081 1.201 1.00 0.00 C ATOM 304 CG LEU A 433 0.805 34.144 1.503 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.515 34.589 0.224 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.195 35.324 2.261 1.00 0.00 C ATOM 0 H LEU A 433 0.441 30.709 1.538 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.477 32.821 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 433 0.141 32.411 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.124 33.576 0.772 1.00 0.00 H new ATOM 0 HG LEU A 433 1.560 33.701 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 433 2.262 35.345 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 433 2.004 33.731 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.786 35.009 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.968 36.065 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -0.592 35.776 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.226 34.973 3.203 1.00 0.00 H new ATOM 318 N GLY A 434 -2.876 32.569 3.404 1.00 0.00 N ATOM 319 CA GLY A 434 -4.313 32.413 3.551 1.00 0.00 C ATOM 320 C GLY A 434 -4.652 31.106 4.269 1.00 0.00 C ATOM 321 O GLY A 434 -5.474 31.090 5.185 1.00 0.00 O ATOM 0 H GLY A 434 -2.436 33.156 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -4.718 33.256 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.786 32.426 2.569 1.00 0.00 H new ATOM 325 N SER A 435 -4.004 30.038 3.824 1.00 0.00 N ATOM 326 CA SER A 435 -4.226 28.728 4.413 1.00 0.00 C ATOM 327 C SER A 435 -2.886 28.046 4.693 1.00 0.00 C ATOM 328 O SER A 435 -1.834 28.556 4.311 1.00 0.00 O ATOM 329 CB SER A 435 -5.088 27.854 3.500 1.00 0.00 C ATOM 330 OG SER A 435 -6.211 28.563 2.986 1.00 0.00 O ATOM 0 H SER A 435 -3.325 30.054 3.063 1.00 0.00 H new ATOM 0 HA SER A 435 -4.761 28.861 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.482 27.487 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.433 26.981 4.054 1.00 0.00 H new ATOM 0 HG SER A 435 -6.735 27.971 2.407 1.00 0.00 H new ATOM 336 N PHE A 436 -2.969 26.902 5.357 1.00 0.00 N ATOM 337 CA PHE A 436 -1.775 26.145 5.692 1.00 0.00 C ATOM 338 C PHE A 436 -1.628 24.922 4.783 1.00 0.00 C ATOM 339 O PHE A 436 -2.590 24.500 4.143 1.00 0.00 O ATOM 340 CB PHE A 436 -1.936 25.672 7.138 1.00 0.00 C ATOM 341 CG PHE A 436 -2.933 24.523 7.311 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.547 23.245 7.051 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.203 24.781 7.723 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.472 22.180 7.211 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.127 23.715 7.883 1.00 0.00 C ATOM 346 CZ PHE A 436 -4.742 22.436 7.623 1.00 0.00 C ATOM 0 H PHE A 436 -3.844 26.482 5.672 1.00 0.00 H new ATOM 0 HA PHE A 436 -0.891 26.770 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -0.964 25.356 7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.258 26.514 7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.538 23.041 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -4.509 25.796 7.928 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.166 21.165 7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.135 23.919 8.211 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.445 21.625 7.744 1.00 0.00 H new ATOM 356 N GLU A 437 -0.416 24.388 4.754 1.00 0.00 N ATOM 357 CA GLU A 437 -0.131 23.224 3.933 1.00 0.00 C ATOM 358 C GLU A 437 0.467 22.104 4.789 1.00 0.00 C ATOM 359 O GLU A 437 1.206 22.369 5.736 1.00 0.00 O ATOM 360 CB GLU A 437 0.802 23.584 2.775 1.00 0.00 C ATOM 361 CG GLU A 437 1.455 22.331 2.187 1.00 0.00 C ATOM 362 CD GLU A 437 1.731 22.508 0.693 1.00 0.00 C ATOM 363 OE1 GLU A 437 1.099 21.837 -0.139 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.638 23.379 0.405 1.00 0.00 O ATOM 0 H GLU A 437 0.380 24.740 5.286 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.068 22.868 3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.240 24.104 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.573 24.270 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.388 22.123 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.804 21.471 2.341 1.00 0.00 H new ATOM 372 N CYS A 438 0.122 20.877 4.427 1.00 0.00 N ATOM 373 CA CYS A 438 0.613 19.717 5.150 1.00 0.00 C ATOM 374 C CYS A 438 0.894 18.604 4.139 1.00 0.00 C ATOM 375 O CYS A 438 0.047 18.293 3.303 1.00 0.00 O ATOM 376 CB CYS A 438 -0.367 19.270 6.235 1.00 0.00 C ATOM 377 SG CYS A 438 -0.120 17.558 6.834 1.00 0.00 S ATOM 0 H CYS A 438 -0.492 20.661 3.642 1.00 0.00 H new ATOM 0 HA CYS A 438 1.535 19.974 5.671 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.285 19.952 7.082 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.382 19.362 5.848 1.00 0.00 H new ATOM 382 N GLN A 439 2.085 18.035 4.248 1.00 0.00 N ATOM 383 CA GLN A 439 2.488 16.963 3.353 1.00 0.00 C ATOM 384 C GLN A 439 1.926 15.626 3.841 1.00 0.00 C ATOM 385 O GLN A 439 1.689 15.446 5.034 1.00 0.00 O ATOM 386 CB GLN A 439 4.010 16.903 3.220 1.00 0.00 C ATOM 387 CG GLN A 439 4.580 18.263 2.816 1.00 0.00 C ATOM 388 CD GLN A 439 6.022 18.130 2.323 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.399 17.165 1.678 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.807 19.149 2.663 1.00 0.00 N ATOM 0 H GLN A 439 2.785 18.296 4.943 1.00 0.00 H new ATOM 0 HA GLN A 439 2.079 17.168 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.449 16.588 4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.284 16.155 2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.963 18.701 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.544 18.943 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.428 19.926 3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.788 19.153 2.382 1.00 0.00 H new ATOM 399 N CYS A 440 1.730 14.722 2.892 1.00 0.00 N ATOM 400 CA CYS A 440 1.200 13.407 3.211 1.00 0.00 C ATOM 401 C CYS A 440 2.361 12.519 3.662 1.00 0.00 C ATOM 402 O CYS A 440 3.510 12.761 3.299 1.00 0.00 O ATOM 403 CB CYS A 440 0.445 12.800 2.026 1.00 0.00 C ATOM 404 SG CYS A 440 -1.322 13.263 1.925 1.00 0.00 S ATOM 0 H CYS A 440 1.928 14.874 1.903 1.00 0.00 H new ATOM 0 HA CYS A 440 0.472 13.490 4.018 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.939 13.105 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 440 0.519 11.714 2.084 1.00 0.00 H new ATOM 409 N LEU A 441 2.020 11.509 4.450 1.00 0.00 N ATOM 410 CA LEU A 441 3.020 10.583 4.957 1.00 0.00 C ATOM 411 C LEU A 441 2.824 9.217 4.297 1.00 0.00 C ATOM 412 O LEU A 441 1.965 8.440 4.713 1.00 0.00 O ATOM 413 CB LEU A 441 2.983 10.539 6.485 1.00 0.00 C ATOM 414 CG LEU A 441 4.321 10.283 7.181 1.00 0.00 C ATOM 415 CD1 LEU A 441 4.806 8.854 6.928 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.362 11.324 6.767 1.00 0.00 C ATOM 0 H LEU A 441 1.065 11.312 4.750 1.00 0.00 H new ATOM 0 HA LEU A 441 4.022 10.923 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.583 11.487 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.283 9.761 6.789 1.00 0.00 H new ATOM 0 HG LEU A 441 4.173 10.387 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.759 8.698 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.071 8.147 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.934 8.697 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.304 11.119 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.515 11.277 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.011 12.319 7.041 1.00 0.00 H new ATOM 428 N GLN A 442 3.633 8.965 3.278 1.00 0.00 N ATOM 429 CA GLN A 442 3.559 7.707 2.557 1.00 0.00 C ATOM 430 C GLN A 442 2.218 7.589 1.828 1.00 0.00 C ATOM 431 O GLN A 442 2.039 8.165 0.757 1.00 0.00 O ATOM 432 CB GLN A 442 3.776 6.522 3.500 1.00 0.00 C ATOM 433 CG GLN A 442 5.249 6.401 3.900 1.00 0.00 C ATOM 434 CD GLN A 442 6.166 6.713 2.714 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.489 7.998 2.605 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.554 5.844 1.952 1.00 0.00 N flip ATOM 0 H GLN A 442 4.343 9.612 2.935 1.00 0.00 H new ATOM 0 HA GLN A 442 4.356 7.690 1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.162 6.646 4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.451 5.602 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.464 7.085 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.449 5.393 4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.267 4.876 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 442 7.166 6.085 1.172 1.00 0.00 H new ATOM 445 N GLY A 443 1.312 6.841 2.440 1.00 0.00 N ATOM 446 CA GLY A 443 -0.005 6.641 1.864 1.00 0.00 C ATOM 447 C GLY A 443 -1.086 7.302 2.723 1.00 0.00 C ATOM 448 O GLY A 443 -1.888 6.615 3.355 1.00 0.00 O ATOM 0 H GLY A 443 1.465 6.366 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -0.032 7.056 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.209 5.574 1.775 1.00 0.00 H new ATOM 452 N TYR A 444 -1.073 8.627 2.718 1.00 0.00 N ATOM 453 CA TYR A 444 -2.040 9.386 3.490 1.00 0.00 C ATOM 454 C TYR A 444 -3.154 9.929 2.591 1.00 0.00 C ATOM 455 O TYR A 444 -2.980 10.039 1.379 1.00 0.00 O ATOM 456 CB TYR A 444 -1.270 10.563 4.092 1.00 0.00 C ATOM 457 CG TYR A 444 -0.984 10.419 5.588 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.361 9.283 6.065 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.348 11.425 6.460 1.00 0.00 C ATOM 460 CE1 TYR A 444 -0.093 9.148 7.473 1.00 0.00 C ATOM 461 CE2 TYR A 444 -1.078 11.289 7.868 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.464 10.157 8.306 1.00 0.00 C ATOM 463 OH TYR A 444 -0.210 10.028 9.636 1.00 0.00 O ATOM 0 H TYR A 444 -0.408 9.193 2.191 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.503 8.756 4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.325 10.675 3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.839 11.478 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 444 -0.075 8.496 5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.835 12.314 6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.392 8.264 7.860 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.357 12.069 8.561 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.529 10.825 10.109 1.00 0.00 H new ATOM 473 N THR A 445 -4.273 10.254 3.220 1.00 0.00 N ATOM 474 CA THR A 445 -5.415 10.782 2.493 1.00 0.00 C ATOM 475 C THR A 445 -5.532 12.293 2.706 1.00 0.00 C ATOM 476 O THR A 445 -4.589 13.035 2.437 1.00 0.00 O ATOM 477 CB THR A 445 -6.658 10.008 2.935 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.740 10.716 2.338 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.918 10.129 4.439 1.00 0.00 C ATOM 0 H THR A 445 -4.414 10.162 4.226 1.00 0.00 H new ATOM 0 HA THR A 445 -5.296 10.646 1.418 1.00 0.00 H new ATOM 0 HB THR A 445 -6.545 8.957 2.669 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.586 10.280 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.811 9.562 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 445 -6.064 9.735 4.989 1.00 0.00 H new ATOM 0 HG23 THR A 445 -7.065 11.177 4.700 1.00 0.00 H new ATOM 487 N GLY A 446 -6.696 12.701 3.187 1.00 0.00 N ATOM 488 CA GLY A 446 -6.948 14.110 3.440 1.00 0.00 C ATOM 489 C GLY A 446 -7.485 14.805 2.186 1.00 0.00 C ATOM 490 O GLY A 446 -7.321 14.303 1.076 1.00 0.00 O ATOM 0 H GLY A 446 -7.475 12.081 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.666 14.214 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.027 14.596 3.763 1.00 0.00 H new ATOM 494 N PRO A 447 -8.133 15.979 2.413 1.00 0.00 N ATOM 495 CA PRO A 447 -8.694 16.748 1.316 1.00 0.00 C ATOM 496 C PRO A 447 -7.595 17.465 0.529 1.00 0.00 C ATOM 497 O PRO A 447 -7.728 17.682 -0.674 1.00 0.00 O ATOM 498 CB PRO A 447 -9.677 17.704 1.968 1.00 0.00 C ATOM 499 CG PRO A 447 -9.293 17.760 3.438 1.00 0.00 C ATOM 500 CD PRO A 447 -8.345 16.604 3.715 1.00 0.00 C ATOM 0 HA PRO A 447 -9.197 16.122 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.621 18.692 1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.702 17.354 1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.814 18.711 3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.180 17.686 4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.406 16.956 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.776 15.900 4.427 1.00 0.00 H new ATOM 508 N ARG A 448 -6.533 17.813 1.241 1.00 0.00 N ATOM 509 CA ARG A 448 -5.411 18.502 0.626 1.00 0.00 C ATOM 510 C ARG A 448 -4.151 17.638 0.706 1.00 0.00 C ATOM 511 O ARG A 448 -3.103 18.014 0.181 1.00 0.00 O ATOM 512 CB ARG A 448 -5.147 19.845 1.309 1.00 0.00 C ATOM 513 CG ARG A 448 -6.452 20.608 1.543 1.00 0.00 C ATOM 514 CD ARG A 448 -6.617 20.974 3.019 1.00 0.00 C ATOM 515 NE ARG A 448 -7.378 22.237 3.145 1.00 0.00 N ATOM 516 CZ ARG A 448 -7.332 23.043 4.227 1.00 0.00 C ATOM 517 NH1 ARG A 448 -6.560 22.724 5.287 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.054 24.148 4.233 1.00 0.00 N ATOM 0 H ARG A 448 -6.426 17.630 2.239 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.665 18.684 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.643 19.680 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.477 20.445 0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.461 21.514 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -7.296 19.999 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -7.136 20.173 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -5.639 21.081 3.487 1.00 0.00 H new ATOM 0 HE ARG A 448 -7.974 22.516 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -6.005 21.868 5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -6.531 23.339 6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -8.635 24.382 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -8.031 24.768 5.043 1.00 0.00 H new ATOM 531 N CYS A 449 -4.292 16.499 1.366 1.00 0.00 N ATOM 532 CA CYS A 449 -3.178 15.581 1.523 1.00 0.00 C ATOM 533 C CYS A 449 -2.538 15.828 2.890 1.00 0.00 C ATOM 534 O CYS A 449 -1.411 16.315 2.973 1.00 0.00 O ATOM 535 CB CYS A 449 -2.165 15.722 0.385 1.00 0.00 C ATOM 536 SG CYS A 449 -1.183 14.217 0.040 1.00 0.00 S ATOM 0 H CYS A 449 -5.162 16.190 1.799 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.541 14.554 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.697 16.008 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.482 16.537 0.624 1.00 0.00 H new ATOM 541 N GLU A 450 -3.285 15.483 3.929 1.00 0.00 N ATOM 542 CA GLU A 450 -2.804 15.664 5.288 1.00 0.00 C ATOM 543 C GLU A 450 -3.612 14.795 6.255 1.00 0.00 C ATOM 544 O GLU A 450 -3.682 15.089 7.448 1.00 0.00 O ATOM 545 CB GLU A 450 -2.858 17.136 5.699 1.00 0.00 C ATOM 546 CG GLU A 450 -4.241 17.731 5.426 1.00 0.00 C ATOM 547 CD GLU A 450 -4.426 18.028 3.937 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.565 18.050 3.446 1.00 0.00 O ATOM 549 OE2 GLU A 450 -3.333 18.241 3.283 1.00 0.00 O ATOM 0 H GLU A 450 -4.219 15.079 3.857 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.761 15.349 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.620 17.230 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -2.102 17.698 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -5.012 17.037 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.366 18.648 6.002 1.00 0.00 H new ATOM 557 N ILE A 451 -4.200 13.744 5.705 1.00 0.00 N ATOM 558 CA ILE A 451 -4.999 12.829 6.505 1.00 0.00 C ATOM 559 C ILE A 451 -4.520 11.397 6.265 1.00 0.00 C ATOM 560 O ILE A 451 -4.050 11.069 5.177 1.00 0.00 O ATOM 561 CB ILE A 451 -6.489 13.036 6.224 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.882 14.505 6.394 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.343 12.108 7.090 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.523 15.009 7.795 1.00 0.00 C ATOM 0 H ILE A 451 -4.140 13.504 4.715 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.867 13.034 7.567 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.681 12.772 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -6.373 15.111 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -7.953 14.621 6.225 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.398 12.275 6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -7.087 11.071 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -7.153 12.316 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.812 16.056 7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -7.052 14.417 8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.448 14.914 7.952 1.00 0.00 H new ATOM 576 N ASP A 452 -4.656 10.581 7.300 1.00 0.00 N ATOM 577 CA ASP A 452 -4.244 9.189 7.215 1.00 0.00 C ATOM 578 C ASP A 452 -5.474 8.310 6.982 1.00 0.00 C ATOM 579 O ASP A 452 -6.416 8.332 7.774 1.00 0.00 O ATOM 580 CB ASP A 452 -3.576 8.734 8.515 1.00 0.00 C ATOM 581 CG ASP A 452 -3.296 7.233 8.606 1.00 0.00 C ATOM 582 OD1 ASP A 452 -2.179 6.811 8.939 1.00 0.00 O ATOM 583 OD2 ASP A 452 -4.296 6.474 8.315 1.00 0.00 O ATOM 0 H ASP A 452 -5.045 10.856 8.202 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.535 9.096 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.635 9.272 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -4.212 9.021 9.353 1.00 0.00 H new ATOM 589 N VAL A 453 -5.426 7.557 5.894 1.00 0.00 N ATOM 590 CA VAL A 453 -6.524 6.673 5.547 1.00 0.00 C ATOM 591 C VAL A 453 -6.180 5.246 5.980 1.00 0.00 C ATOM 592 O VAL A 453 -5.045 4.966 6.360 1.00 0.00 O ATOM 593 CB VAL A 453 -6.836 6.787 4.054 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.550 6.820 3.225 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.752 5.648 3.597 1.00 0.00 C ATOM 0 H VAL A 453 -4.643 7.541 5.241 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.431 6.964 6.077 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.363 7.728 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.801 6.901 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.948 7.678 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.984 5.904 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.959 5.752 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -7.262 4.692 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.688 5.688 4.154 1.00 0.00 H new ATOM 605 N ASN A 454 -7.181 4.380 5.906 1.00 0.00 N ATOM 606 CA ASN A 454 -7.000 2.991 6.285 1.00 0.00 C ATOM 607 C ASN A 454 -6.848 2.138 5.023 1.00 0.00 C ATOM 608 O ASN A 454 -7.826 1.875 4.327 1.00 0.00 O ATOM 609 CB ASN A 454 -8.207 2.470 7.064 1.00 0.00 C ATOM 610 CG ASN A 454 -7.920 1.091 7.664 1.00 0.00 C ATOM 611 OD1 ASN A 454 -7.214 0.274 7.098 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.506 0.879 8.838 1.00 0.00 N ATOM 0 H ASN A 454 -8.121 4.616 5.588 1.00 0.00 H new ATOM 0 HA ASN A 454 -6.111 2.927 6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.461 3.171 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -9.072 2.410 6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.376 -0.011 9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -9.085 1.606 9.258 1.00 0.00 H new ATOM 619 N GLU A 455 -5.613 1.732 4.768 1.00 0.00 N ATOM 620 CA GLU A 455 -5.321 0.915 3.602 1.00 0.00 C ATOM 621 C GLU A 455 -5.597 -0.560 3.904 1.00 0.00 C ATOM 622 O GLU A 455 -5.637 -1.386 2.994 1.00 0.00 O ATOM 623 CB GLU A 455 -3.876 1.117 3.139 1.00 0.00 C ATOM 624 CG GLU A 455 -2.934 1.275 4.334 1.00 0.00 C ATOM 625 CD GLU A 455 -2.748 2.750 4.696 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.627 3.174 5.011 1.00 0.00 O ATOM 627 OE2 GLU A 455 -3.820 3.463 4.640 1.00 0.00 O ATOM 0 H GLU A 455 -4.804 1.953 5.348 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.977 1.229 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.562 0.266 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.814 2.000 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.335 0.734 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -1.967 0.830 4.100 1.00 0.00 H new ATOM 635 N CYS A 456 -5.781 -0.844 5.186 1.00 0.00 N ATOM 636 CA CYS A 456 -6.054 -2.203 5.619 1.00 0.00 C ATOM 637 C CYS A 456 -7.570 -2.409 5.633 1.00 0.00 C ATOM 638 O CYS A 456 -8.051 -3.484 5.990 1.00 0.00 O ATOM 639 CB CYS A 456 -5.425 -2.499 6.981 1.00 0.00 C ATOM 640 SG CYS A 456 -6.545 -2.269 8.410 1.00 0.00 S ATOM 0 H CYS A 456 -5.746 -0.156 5.938 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.600 -2.907 4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.063 -3.527 6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -4.555 -1.855 7.112 1.00 0.00 H new ATOM 645 N VAL A 457 -8.281 -1.362 5.240 1.00 0.00 N ATOM 646 CA VAL A 457 -9.731 -1.414 5.203 1.00 0.00 C ATOM 647 C VAL A 457 -10.177 -2.293 4.034 1.00 0.00 C ATOM 648 O VAL A 457 -10.847 -3.305 4.233 1.00 0.00 O ATOM 649 CB VAL A 457 -10.304 0.004 5.137 1.00 0.00 C ATOM 650 CG1 VAL A 457 -11.195 0.179 3.905 1.00 0.00 C ATOM 651 CG2 VAL A 457 -11.068 0.346 6.418 1.00 0.00 C ATOM 0 H VAL A 457 -7.879 -0.473 4.944 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.120 -1.866 6.116 1.00 0.00 H new ATOM 0 HB VAL A 457 -9.469 0.699 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -11.589 1.195 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.610 -0.003 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -12.022 -0.530 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -11.465 1.359 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -11.890 -0.357 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.394 0.281 7.272 1.00 0.00 H new ATOM 661 N SER A 458 -9.786 -1.875 2.839 1.00 0.00 N ATOM 662 CA SER A 458 -10.137 -2.613 1.637 1.00 0.00 C ATOM 663 C SER A 458 -9.019 -3.597 1.281 1.00 0.00 C ATOM 664 O SER A 458 -9.092 -4.282 0.262 1.00 0.00 O ATOM 665 CB SER A 458 -10.401 -1.663 0.465 1.00 0.00 C ATOM 666 OG SER A 458 -11.708 -1.834 -0.075 1.00 0.00 O ATOM 0 H SER A 458 -9.230 -1.035 2.677 1.00 0.00 H new ATOM 0 HA SER A 458 -11.053 -3.170 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 458 -10.278 -0.633 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 458 -9.660 -1.836 -0.316 1.00 0.00 H new ATOM 0 HG SER A 458 -11.839 -1.210 -0.819 1.00 0.00 H new ATOM 672 N ASN A 459 -8.013 -3.634 2.141 1.00 0.00 N ATOM 673 CA ASN A 459 -6.883 -4.523 1.931 1.00 0.00 C ATOM 674 C ASN A 459 -6.442 -5.108 3.275 1.00 0.00 C ATOM 675 O ASN A 459 -5.265 -5.048 3.626 1.00 0.00 O ATOM 676 CB ASN A 459 -5.694 -3.768 1.331 1.00 0.00 C ATOM 677 CG ASN A 459 -6.165 -2.693 0.350 1.00 0.00 C ATOM 678 OD1 ASN A 459 -6.891 -1.731 0.912 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -5.888 -2.734 -0.837 1.00 0.00 N flip ATOM 0 H ASN A 459 -7.956 -3.063 2.984 1.00 0.00 H new ATOM 0 HA ASN A 459 -7.196 -5.310 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -5.111 -3.307 2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -5.035 -4.469 0.819 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.326 -3.502 -1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -6.219 -2.000 -1.463 1.00 0.00 H new ATOM 686 N PRO A 460 -7.437 -5.673 4.009 1.00 0.00 N ATOM 687 CA PRO A 460 -7.164 -6.267 5.307 1.00 0.00 C ATOM 688 C PRO A 460 -6.460 -7.618 5.153 1.00 0.00 C ATOM 689 O PRO A 460 -6.165 -8.284 6.145 1.00 0.00 O ATOM 690 CB PRO A 460 -8.521 -6.377 5.983 1.00 0.00 C ATOM 691 CG PRO A 460 -9.550 -6.274 4.869 1.00 0.00 C ATOM 692 CD PRO A 460 -8.842 -5.762 3.625 1.00 0.00 C ATOM 0 HA PRO A 460 -6.482 -5.667 5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.616 -7.323 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.658 -5.582 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.003 -7.247 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.356 -5.598 5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.980 -6.440 2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.231 -4.791 3.319 1.00 0.00 H new ATOM 700 N CYS A 461 -6.214 -7.982 3.904 1.00 0.00 N ATOM 701 CA CYS A 461 -5.551 -9.241 3.608 1.00 0.00 C ATOM 702 C CYS A 461 -6.540 -10.378 3.875 1.00 0.00 C ATOM 703 O CYS A 461 -6.138 -11.530 4.038 1.00 0.00 O ATOM 704 CB CYS A 461 -4.262 -9.406 4.417 1.00 0.00 C ATOM 705 SG CYS A 461 -2.727 -9.011 3.502 1.00 0.00 S ATOM 0 H CYS A 461 -6.462 -7.427 3.085 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.250 -9.259 2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.318 -8.767 5.298 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.202 -10.435 4.773 1.00 0.00 H new ATOM 710 N GLN A 462 -7.814 -10.016 3.909 1.00 0.00 N ATOM 711 CA GLN A 462 -8.863 -10.992 4.152 1.00 0.00 C ATOM 712 C GLN A 462 -9.073 -11.182 5.655 1.00 0.00 C ATOM 713 O GLN A 462 -8.856 -10.257 6.438 1.00 0.00 O ATOM 714 CB GLN A 462 -8.542 -12.323 3.471 1.00 0.00 C ATOM 715 CG GLN A 462 -9.797 -12.937 2.846 1.00 0.00 C ATOM 716 CD GLN A 462 -9.506 -14.330 2.285 1.00 0.00 C ATOM 717 OE1 GLN A 462 -8.701 -14.329 1.226 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -9.980 -15.338 2.781 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.144 -9.060 3.772 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.790 -10.615 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -7.786 -12.168 2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.118 -13.015 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.586 -13.001 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -10.165 -12.290 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -10.591 -15.267 3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -9.765 -16.252 2.383 1.00 0.00 H new ATOM 727 N ASN A 463 -9.492 -12.386 6.014 1.00 0.00 N ATOM 728 CA ASN A 463 -9.734 -12.709 7.410 1.00 0.00 C ATOM 729 C ASN A 463 -8.535 -13.479 7.966 1.00 0.00 C ATOM 730 O ASN A 463 -8.274 -13.447 9.168 1.00 0.00 O ATOM 731 CB ASN A 463 -10.975 -13.591 7.564 1.00 0.00 C ATOM 732 CG ASN A 463 -10.837 -14.878 6.748 1.00 0.00 C ATOM 733 OD1 ASN A 463 -11.178 -14.747 5.469 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -10.448 -15.922 7.245 1.00 0.00 N flip ATOM 0 H ASN A 463 -9.670 -13.150 5.362 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.886 -11.775 7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -11.123 -13.837 8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.858 -13.042 7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -10.202 -15.955 8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -10.369 -16.762 6.671 1.00 0.00 H new ATOM 741 N ASP A 464 -7.835 -14.153 7.065 1.00 0.00 N ATOM 742 CA ASP A 464 -6.669 -14.930 7.450 1.00 0.00 C ATOM 743 C ASP A 464 -5.445 -14.013 7.502 1.00 0.00 C ATOM 744 O ASP A 464 -4.407 -14.324 6.920 1.00 0.00 O ATOM 745 CB ASP A 464 -6.387 -16.040 6.435 1.00 0.00 C ATOM 746 CG ASP A 464 -7.621 -16.593 5.721 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.527 -17.155 6.354 1.00 0.00 O ATOM 748 OD2 ASP A 464 -7.631 -16.425 4.443 1.00 0.00 O ATOM 0 H ASP A 464 -8.053 -14.177 6.069 1.00 0.00 H new ATOM 0 HA ASP A 464 -6.867 -15.375 8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -5.693 -15.659 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -5.884 -16.860 6.947 1.00 0.00 H new ATOM 754 N ALA A 465 -5.608 -12.902 8.204 1.00 0.00 N ATOM 755 CA ALA A 465 -4.529 -11.938 8.339 1.00 0.00 C ATOM 756 C ALA A 465 -5.002 -10.769 9.209 1.00 0.00 C ATOM 757 O ALA A 465 -6.028 -10.155 8.922 1.00 0.00 O ATOM 758 CB ALA A 465 -4.072 -11.485 6.952 1.00 0.00 C ATOM 0 H ALA A 465 -6.470 -12.647 8.685 1.00 0.00 H new ATOM 0 HA ALA A 465 -3.669 -12.391 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.263 -10.762 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.719 -12.347 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.908 -11.023 6.427 1.00 0.00 H new ATOM 764 N THR A 466 -4.230 -10.498 10.251 1.00 0.00 N ATOM 765 CA THR A 466 -4.555 -9.415 11.161 1.00 0.00 C ATOM 766 C THR A 466 -4.140 -8.070 10.562 1.00 0.00 C ATOM 767 O THR A 466 -2.951 -7.763 10.481 1.00 0.00 O ATOM 768 CB THR A 466 -3.890 -9.712 12.507 1.00 0.00 C ATOM 769 OG1 THR A 466 -4.656 -10.787 13.043 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.080 -8.579 13.517 1.00 0.00 C ATOM 0 H THR A 466 -3.380 -11.011 10.485 1.00 0.00 H new ATOM 0 HA THR A 466 -5.631 -9.344 11.322 1.00 0.00 H new ATOM 0 HB THR A 466 -2.825 -9.887 12.355 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.292 -11.045 13.916 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.589 -8.841 14.454 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.642 -7.662 13.122 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.144 -8.425 13.696 1.00 0.00 H new ATOM 778 N CYS A 467 -5.142 -7.304 10.156 1.00 0.00 N ATOM 779 CA CYS A 467 -4.896 -5.999 9.568 1.00 0.00 C ATOM 780 C CYS A 467 -4.161 -5.137 10.596 1.00 0.00 C ATOM 781 O CYS A 467 -4.553 -5.087 11.762 1.00 0.00 O ATOM 782 CB CYS A 467 -6.191 -5.339 9.091 1.00 0.00 C ATOM 783 SG CYS A 467 -6.461 -3.640 9.716 1.00 0.00 S ATOM 0 H CYS A 467 -6.126 -7.563 10.223 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.274 -6.111 8.680 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.190 -5.314 8.001 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.033 -5.961 9.395 1.00 0.00 H new ATOM 788 N LEU A 468 -3.110 -4.481 10.129 1.00 0.00 N ATOM 789 CA LEU A 468 -2.316 -3.623 10.995 1.00 0.00 C ATOM 790 C LEU A 468 -2.174 -2.244 10.347 1.00 0.00 C ATOM 791 O LEU A 468 -1.095 -1.882 9.883 1.00 0.00 O ATOM 792 CB LEU A 468 -0.979 -4.288 11.328 1.00 0.00 C ATOM 793 CG LEU A 468 -0.869 -4.916 12.718 1.00 0.00 C ATOM 794 CD1 LEU A 468 0.586 -4.961 13.186 1.00 0.00 C ATOM 795 CD2 LEU A 468 -1.771 -4.190 13.720 1.00 0.00 C ATOM 0 H LEU A 468 -2.788 -4.525 9.162 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.818 -3.476 11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.786 -5.062 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.190 -3.543 11.224 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.219 -5.946 12.656 1.00 0.00 H new ATOM 0 HD11 LEU A 468 0.636 -5.412 14.177 1.00 0.00 H new ATOM 0 HD12 LEU A 468 1.175 -5.555 12.487 1.00 0.00 H new ATOM 0 HD13 LEU A 468 0.986 -3.948 13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -1.674 -4.656 14.701 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.474 -3.143 13.785 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -2.808 -4.253 13.389 1.00 0.00 H new ATOM 807 N ASP A 469 -3.279 -1.514 10.340 1.00 0.00 N ATOM 808 CA ASP A 469 -3.291 -0.181 9.757 1.00 0.00 C ATOM 809 C ASP A 469 -2.356 0.728 10.558 1.00 0.00 C ATOM 810 O ASP A 469 -2.555 0.929 11.755 1.00 0.00 O ATOM 811 CB ASP A 469 -4.695 0.426 9.801 1.00 0.00 C ATOM 812 CG ASP A 469 -4.755 1.933 9.545 1.00 0.00 C ATOM 813 OD1 ASP A 469 -5.455 2.673 10.252 1.00 0.00 O ATOM 814 OD2 ASP A 469 -4.033 2.348 8.560 1.00 0.00 O ATOM 0 H ASP A 469 -4.172 -1.819 10.728 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.966 -0.262 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.316 -0.078 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.133 0.221 10.778 1.00 0.00 H new ATOM 820 N GLN A 470 -1.358 1.255 9.863 1.00 0.00 N ATOM 821 CA GLN A 470 -0.393 2.138 10.494 1.00 0.00 C ATOM 822 C GLN A 470 -0.193 3.396 9.647 1.00 0.00 C ATOM 823 O GLN A 470 -0.852 3.572 8.624 1.00 0.00 O ATOM 824 CB GLN A 470 0.936 1.419 10.731 1.00 0.00 C ATOM 825 CG GLN A 470 0.919 0.660 12.059 1.00 0.00 C ATOM 826 CD GLN A 470 0.595 -0.819 11.840 1.00 0.00 C ATOM 827 OE1 GLN A 470 -0.315 -1.376 12.434 1.00 0.00 O ATOM 828 NE2 GLN A 470 1.386 -1.423 10.959 1.00 0.00 N ATOM 0 H GLN A 470 -1.197 1.087 8.870 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.784 2.436 11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.129 0.724 9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.750 2.143 10.732 1.00 0.00 H new ATOM 0 HG2 GLN A 470 1.888 0.755 12.549 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.180 1.103 12.726 1.00 0.00 H new ATOM 0 HE21 GLN A 470 2.129 -0.899 10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 470 1.250 -2.411 10.745 1.00 0.00 H new ATOM 837 N ILE A 471 0.721 4.239 10.104 1.00 0.00 N ATOM 838 CA ILE A 471 1.018 5.476 9.401 1.00 0.00 C ATOM 839 C ILE A 471 1.371 5.158 7.946 1.00 0.00 C ATOM 840 O ILE A 471 2.340 4.449 7.679 1.00 0.00 O ATOM 841 CB ILE A 471 2.101 6.267 10.138 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.083 5.326 10.841 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.480 7.276 11.106 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.584 4.242 9.886 1.00 0.00 C ATOM 0 H ILE A 471 1.266 4.090 10.953 1.00 0.00 H new ATOM 0 HA ILE A 471 0.141 6.123 9.383 1.00 0.00 H new ATOM 0 HB ILE A 471 2.670 6.836 9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 471 3.929 5.897 11.224 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.597 4.863 11.699 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.271 7.825 11.617 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.854 7.975 10.551 1.00 0.00 H new ATOM 0 HG23 ILE A 471 0.872 6.748 11.841 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.280 3.588 10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 471 2.739 3.657 9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.091 4.708 9.041 1.00 0.00 H new ATOM 856 N GLY A 472 0.566 5.700 7.043 1.00 0.00 N ATOM 857 CA GLY A 472 0.781 5.482 5.623 1.00 0.00 C ATOM 858 C GLY A 472 1.345 4.085 5.361 1.00 0.00 C ATOM 859 O GLY A 472 2.205 3.911 4.499 1.00 0.00 O ATOM 0 H GLY A 472 -0.236 6.289 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.160 5.605 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.469 6.234 5.236 1.00 0.00 H new ATOM 863 N GLU A 473 0.838 3.125 6.121 1.00 0.00 N ATOM 864 CA GLU A 473 1.281 1.748 5.981 1.00 0.00 C ATOM 865 C GLU A 473 0.316 0.805 6.703 1.00 0.00 C ATOM 866 O GLU A 473 -0.364 1.210 7.645 1.00 0.00 O ATOM 867 CB GLU A 473 2.709 1.576 6.503 1.00 0.00 C ATOM 868 CG GLU A 473 2.728 1.487 8.031 1.00 0.00 C ATOM 869 CD GLU A 473 2.939 0.044 8.492 1.00 0.00 C ATOM 870 OE1 GLU A 473 2.230 -0.865 8.033 1.00 0.00 O ATOM 871 OE2 GLU A 473 3.878 -0.118 9.362 1.00 0.00 O ATOM 0 H GLU A 473 0.125 3.273 6.835 1.00 0.00 H new ATOM 0 HA GLU A 473 1.284 1.493 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.149 0.674 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.323 2.415 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.523 2.119 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 473 1.789 1.868 8.433 1.00 0.00 H new ATOM 879 N PHE A 474 0.288 -0.434 6.235 1.00 0.00 N ATOM 880 CA PHE A 474 -0.582 -1.437 6.825 1.00 0.00 C ATOM 881 C PHE A 474 0.100 -2.806 6.850 1.00 0.00 C ATOM 882 O PHE A 474 1.054 -3.043 6.111 1.00 0.00 O ATOM 883 CB PHE A 474 -1.831 -1.519 5.944 1.00 0.00 C ATOM 884 CG PHE A 474 -1.842 -2.716 4.990 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.096 -3.964 5.468 1.00 0.00 C ATOM 886 CD2 PHE A 474 -1.601 -2.531 3.665 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.108 -5.074 4.585 1.00 0.00 C ATOM 888 CE2 PHE A 474 -1.612 -3.642 2.781 1.00 0.00 C ATOM 889 CZ PHE A 474 -1.866 -4.890 3.259 1.00 0.00 C ATOM 0 H PHE A 474 0.854 -0.766 5.454 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.825 -1.162 7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.712 -1.569 6.584 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.913 -0.602 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -2.289 -4.110 6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.401 -1.540 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.309 -6.065 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -1.419 -3.496 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 474 -1.876 -5.735 2.586 1.00 0.00 H new ATOM 899 N GLN A 475 -0.416 -3.673 7.710 1.00 0.00 N ATOM 900 CA GLN A 475 0.130 -5.012 7.842 1.00 0.00 C ATOM 901 C GLN A 475 -0.999 -6.045 7.890 1.00 0.00 C ATOM 902 O GLN A 475 -2.164 -5.688 8.057 1.00 0.00 O ATOM 903 CB GLN A 475 1.025 -5.120 9.078 1.00 0.00 C ATOM 904 CG GLN A 475 2.503 -5.141 8.684 1.00 0.00 C ATOM 905 CD GLN A 475 2.855 -6.432 7.941 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.350 -6.421 6.825 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.573 -7.540 8.619 1.00 0.00 N ATOM 0 H GLN A 475 -1.207 -3.473 8.322 1.00 0.00 H new ATOM 0 HA GLN A 475 0.747 -5.219 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 475 0.834 -4.279 9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 475 0.779 -6.026 9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 475 2.727 -4.281 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 475 3.122 -5.051 9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.159 -7.477 9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.770 -8.453 8.209 1.00 0.00 H new ATOM 916 N CYS A 476 -0.613 -7.303 7.742 1.00 0.00 N ATOM 917 CA CYS A 476 -1.578 -8.389 7.767 1.00 0.00 C ATOM 918 C CYS A 476 -0.855 -9.665 8.201 1.00 0.00 C ATOM 919 O CYS A 476 -0.387 -10.433 7.362 1.00 0.00 O ATOM 920 CB CYS A 476 -2.274 -8.559 6.414 1.00 0.00 C ATOM 921 SG CYS A 476 -1.143 -8.732 4.986 1.00 0.00 S ATOM 0 H CYS A 476 0.355 -7.595 7.604 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.368 -8.160 8.482 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.916 -9.439 6.460 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -2.922 -7.699 6.244 1.00 0.00 H new ATOM 926 N ILE A 477 -0.786 -9.851 9.511 1.00 0.00 N ATOM 927 CA ILE A 477 -0.127 -11.022 10.067 1.00 0.00 C ATOM 928 C ILE A 477 -0.978 -12.261 9.787 1.00 0.00 C ATOM 929 O ILE A 477 -2.086 -12.388 10.307 1.00 0.00 O ATOM 930 CB ILE A 477 0.181 -10.809 11.550 1.00 0.00 C ATOM 931 CG1 ILE A 477 1.504 -10.062 11.734 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.163 -12.137 12.309 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.656 -10.816 11.068 1.00 0.00 C ATOM 0 H ILE A 477 -1.175 -9.211 10.204 1.00 0.00 H new ATOM 0 HA ILE A 477 0.837 -11.182 9.585 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.604 -10.183 11.975 1.00 0.00 H new ATOM 0 HG12 ILE A 477 1.424 -9.062 11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.712 -9.939 12.797 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.385 -11.958 13.361 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -0.822 -12.594 12.219 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.914 -12.806 11.889 1.00 0.00 H new ATOM 0 HD11 ILE A 477 3.585 -10.264 11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.749 -11.806 11.514 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.457 -10.916 10.001 1.00 0.00 H new ATOM 945 N CYS A 478 -0.428 -13.145 8.967 1.00 0.00 N ATOM 946 CA CYS A 478 -1.122 -14.371 8.612 1.00 0.00 C ATOM 947 C CYS A 478 -0.505 -15.521 9.410 1.00 0.00 C ATOM 948 O CYS A 478 0.470 -15.326 10.135 1.00 0.00 O ATOM 949 CB CYS A 478 -1.075 -14.632 7.106 1.00 0.00 C ATOM 950 SG CYS A 478 -0.366 -13.269 6.113 1.00 0.00 S ATOM 0 H CYS A 478 0.491 -13.036 8.538 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.178 -14.280 8.865 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -0.492 -15.535 6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -2.087 -14.831 6.754 1.00 0.00 H new ATOM 955 N MET A 479 -1.100 -16.695 9.252 1.00 0.00 N ATOM 956 CA MET A 479 -0.621 -17.876 9.949 1.00 0.00 C ATOM 957 C MET A 479 0.543 -18.522 9.196 1.00 0.00 C ATOM 958 O MET A 479 0.639 -18.409 7.976 1.00 0.00 O ATOM 959 CB MET A 479 -1.763 -18.886 10.087 1.00 0.00 C ATOM 960 CG MET A 479 -2.770 -18.433 11.146 1.00 0.00 C ATOM 961 SD MET A 479 -4.282 -19.369 10.991 1.00 0.00 S ATOM 962 CE MET A 479 -4.141 -20.425 12.424 1.00 0.00 C ATOM 0 H MET A 479 -1.909 -16.853 8.652 1.00 0.00 H new ATOM 0 HA MET A 479 -0.269 -17.575 10.936 1.00 0.00 H new ATOM 0 HB2 MET A 479 -2.267 -19.004 9.128 1.00 0.00 H new ATOM 0 HB3 MET A 479 -1.360 -19.862 10.357 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.349 -18.569 12.142 1.00 0.00 H new ATOM 0 HG3 MET A 479 -2.978 -17.369 11.031 1.00 0.00 H new ATOM 0 HE1 MET A 479 -5.010 -21.080 12.480 1.00 0.00 H new ATOM 0 HE2 MET A 479 -3.237 -21.028 12.344 1.00 0.00 H new ATOM 0 HE3 MET A 479 -4.090 -19.812 13.324 1.00 0.00 H new ATOM 972 N PRO A 480 1.424 -19.204 9.977 1.00 0.00 N ATOM 973 CA PRO A 480 2.579 -19.868 9.398 1.00 0.00 C ATOM 974 C PRO A 480 2.167 -21.155 8.677 1.00 0.00 C ATOM 975 O PRO A 480 2.694 -22.229 8.966 1.00 0.00 O ATOM 976 CB PRO A 480 3.518 -20.118 10.567 1.00 0.00 C ATOM 977 CG PRO A 480 2.663 -20.007 11.818 1.00 0.00 C ATOM 978 CD PRO A 480 1.344 -19.361 11.427 1.00 0.00 C ATOM 0 HA PRO A 480 3.069 -19.266 8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 480 3.978 -21.103 10.495 1.00 0.00 H new ATOM 0 HB3 PRO A 480 4.328 -19.388 10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 480 2.491 -20.992 12.251 1.00 0.00 H new ATOM 0 HG3 PRO A 480 3.171 -19.410 12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 480 0.497 -19.986 11.712 1.00 0.00 H new ATOM 0 HD3 PRO A 480 1.212 -18.399 11.923 1.00 0.00 H new ATOM 986 N GLY A 481 1.230 -21.003 7.753 1.00 0.00 N ATOM 987 CA GLY A 481 0.742 -22.139 6.989 1.00 0.00 C ATOM 988 C GLY A 481 0.371 -21.723 5.564 1.00 0.00 C ATOM 989 O GLY A 481 0.703 -22.418 4.605 1.00 0.00 O ATOM 0 H GLY A 481 0.796 -20.111 7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 481 1.506 -22.916 6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -0.129 -22.568 7.485 1.00 0.00 H new ATOM 993 N TYR A 482 -0.312 -20.591 5.472 1.00 0.00 N ATOM 994 CA TYR A 482 -0.731 -20.074 4.180 1.00 0.00 C ATOM 995 C TYR A 482 0.076 -18.831 3.799 1.00 0.00 C ATOM 996 O TYR A 482 0.821 -18.295 4.617 1.00 0.00 O ATOM 997 CB TYR A 482 -2.202 -19.683 4.339 1.00 0.00 C ATOM 998 CG TYR A 482 -3.164 -20.872 4.350 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.600 -21.418 3.161 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -3.595 -21.401 5.551 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -4.507 -22.537 3.170 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -4.500 -22.520 5.561 1.00 0.00 C ATOM 1003 CZ TYR A 482 -4.911 -23.033 4.370 1.00 0.00 C ATOM 1004 OH TYR A 482 -5.766 -24.091 4.380 1.00 0.00 O ATOM 0 H TYR A 482 -0.585 -20.018 6.270 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.578 -20.820 3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.320 -19.124 5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.479 -19.012 3.526 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -3.261 -21.006 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -3.253 -20.975 6.483 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -4.858 -22.972 2.246 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -4.845 -22.943 6.493 1.00 0.00 H new ATOM 0 HH TYR A 482 -5.968 -24.340 5.306 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.100 -18.408 2.555 1.00 0.00 N ATOM 1015 CA GLU A 483 0.602 -17.239 2.055 1.00 0.00 C ATOM 1016 C GLU A 483 -0.161 -16.623 0.881 1.00 0.00 C ATOM 1017 O GLU A 483 -1.207 -17.131 0.482 1.00 0.00 O ATOM 1018 CB GLU A 483 2.036 -17.590 1.654 1.00 0.00 C ATOM 1019 CG GLU A 483 2.995 -16.446 1.989 1.00 0.00 C ATOM 1020 CD GLU A 483 3.866 -16.797 3.198 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.113 -17.983 3.461 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.290 -15.785 3.874 1.00 0.00 O ATOM 0 H GLU A 483 -0.719 -18.855 1.879 1.00 0.00 H new ATOM 0 HA GLU A 483 0.654 -16.501 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.351 -18.496 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 483 2.077 -17.803 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 483 3.629 -16.235 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 483 2.427 -15.539 2.197 1.00 0.00 H new ATOM 1030 N GLY A 484 0.393 -15.538 0.362 1.00 0.00 N ATOM 1031 CA GLY A 484 -0.223 -14.847 -0.760 1.00 0.00 C ATOM 1032 C GLY A 484 -0.516 -13.386 -0.409 1.00 0.00 C ATOM 1033 O GLY A 484 -0.151 -12.918 0.668 1.00 0.00 O ATOM 0 H GLY A 484 1.261 -15.120 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.437 -14.892 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.149 -15.351 -1.038 1.00 0.00 H new ATOM 1037 N VAL A 485 -1.170 -12.709 -1.341 1.00 0.00 N ATOM 1038 CA VAL A 485 -1.517 -11.312 -1.144 1.00 0.00 C ATOM 1039 C VAL A 485 -2.563 -11.201 -0.035 1.00 0.00 C ATOM 1040 O VAL A 485 -2.573 -10.230 0.721 1.00 0.00 O ATOM 1041 CB VAL A 485 -1.980 -10.697 -2.467 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -3.503 -10.544 -2.495 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -1.290 -9.355 -2.718 1.00 0.00 C ATOM 0 H VAL A 485 -1.469 -13.101 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 485 -0.644 -10.743 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 485 -1.695 -11.376 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -3.807 -10.105 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -3.969 -11.523 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -3.819 -9.895 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -1.636 -8.939 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -1.530 -8.665 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -0.211 -9.503 -2.760 1.00 0.00 H new ATOM 1053 N HIS A 486 -3.420 -12.211 0.031 1.00 0.00 N ATOM 1054 CA HIS A 486 -4.469 -12.239 1.037 1.00 0.00 C ATOM 1055 C HIS A 486 -4.140 -13.298 2.091 1.00 0.00 C ATOM 1056 O HIS A 486 -4.849 -13.428 3.088 1.00 0.00 O ATOM 1057 CB HIS A 486 -5.838 -12.451 0.389 1.00 0.00 C ATOM 1058 CG HIS A 486 -6.266 -11.327 -0.524 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -5.784 -10.058 -0.663 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -7.308 -11.450 -1.427 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -6.493 -9.441 -1.600 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -7.438 -10.301 -2.075 1.00 0.00 N flip ATOM 0 H HIS A 486 -3.409 -13.016 -0.596 1.00 0.00 H new ATOM 0 HA HIS A 486 -4.518 -11.275 1.544 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.819 -13.380 -0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -6.585 -12.573 1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -7.912 -12.332 -1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -6.345 -8.424 -1.932 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -8.124 -10.096 -2.801 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.066 -14.030 1.833 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.635 -15.074 2.746 1.00 0.00 C ATOM 1072 C CYS A 487 -3.749 -16.119 2.843 1.00 0.00 C ATOM 1073 O CYS A 487 -4.042 -16.621 3.926 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.264 -14.509 4.118 1.00 0.00 C ATOM 1075 SG CYS A 487 -0.672 -13.607 4.173 1.00 0.00 S ATOM 0 H CYS A 487 -2.482 -13.920 1.004 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.729 -15.544 2.362 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.057 -13.837 4.445 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.225 -15.329 4.835 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.339 -16.414 1.694 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.414 -17.390 1.634 1.00 0.00 C ATOM 1082 C GLU A 488 -5.023 -18.557 0.726 1.00 0.00 C ATOM 1083 O GLU A 488 -5.777 -19.517 0.582 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.717 -16.741 1.162 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.913 -17.655 1.435 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.874 -17.671 0.243 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.493 -17.262 -0.865 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -10.052 -18.127 0.498 1.00 0.00 O ATOM 0 H GLU A 488 -4.093 -15.994 0.797 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.582 -17.778 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.859 -15.788 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.655 -16.526 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.563 -18.667 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -8.439 -17.315 2.327 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.842 -18.435 0.135 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.342 -19.470 -0.755 1.00 0.00 C ATOM 1098 C VAL A 489 -2.391 -20.386 0.019 1.00 0.00 C ATOM 1099 O VAL A 489 -1.420 -19.921 0.612 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.688 -18.831 -1.982 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -3.020 -17.339 -2.067 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -1.174 -19.056 -1.978 1.00 0.00 C ATOM 0 H VAL A 489 -3.218 -17.637 0.255 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.162 -20.088 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 489 -3.096 -19.316 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.543 -16.910 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -4.100 -17.210 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.654 -16.833 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -0.735 -18.592 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -0.742 -18.611 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -0.965 -20.126 -1.989 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.706 -21.673 -0.015 1.00 0.00 N ATOM 1113 CA ASN A 490 -1.892 -22.661 0.676 1.00 0.00 C ATOM 1114 C ASN A 490 -0.514 -22.730 0.015 1.00 0.00 C ATOM 1115 O ASN A 490 -0.394 -22.570 -1.198 1.00 0.00 O ATOM 1116 CB ASN A 490 -2.527 -24.050 0.596 1.00 0.00 C ATOM 1117 CG ASN A 490 -1.683 -25.082 1.349 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -0.892 -25.812 0.775 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -1.897 -25.101 2.661 1.00 0.00 N ATOM 0 H ASN A 490 -3.512 -22.055 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.811 -22.362 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -3.532 -24.019 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -2.628 -24.348 -0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -1.384 -25.755 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -2.574 -24.462 3.077 1.00 0.00 H new ATOM 1126 N THR A 491 0.491 -22.971 0.844 1.00 0.00 N ATOM 1127 CA THR A 491 1.857 -23.066 0.356 1.00 0.00 C ATOM 1128 C THR A 491 1.898 -23.831 -0.968 1.00 0.00 C ATOM 1129 O THR A 491 0.958 -24.549 -1.304 1.00 0.00 O ATOM 1130 CB THR A 491 2.709 -23.705 1.454 1.00 0.00 C ATOM 1131 OG1 THR A 491 4.037 -23.646 0.942 1.00 0.00 O ATOM 1132 CG2 THR A 491 2.435 -25.202 1.610 1.00 0.00 C ATOM 0 H THR A 491 0.387 -23.103 1.850 1.00 0.00 H new ATOM 0 HA THR A 491 2.268 -22.080 0.139 1.00 0.00 H new ATOM 0 HB THR A 491 2.518 -23.201 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 491 4.656 -24.038 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 491 3.065 -25.607 2.402 1.00 0.00 H new ATOM 0 HG22 THR A 491 1.387 -25.355 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 491 2.657 -25.712 0.673 1.00 0.00 H new ATOM 1140 N ASP A 492 2.997 -23.652 -1.685 1.00 0.00 N ATOM 1141 CA ASP A 492 3.174 -24.316 -2.965 1.00 0.00 C ATOM 1142 C ASP A 492 3.407 -25.809 -2.731 1.00 0.00 C ATOM 1143 O ASP A 492 3.372 -26.277 -1.593 1.00 0.00 O ATOM 1144 CB ASP A 492 4.387 -23.759 -3.712 1.00 0.00 C ATOM 1145 CG ASP A 492 4.213 -23.634 -5.228 1.00 0.00 C ATOM 1146 OD1 ASP A 492 3.975 -22.538 -5.754 1.00 0.00 O ATOM 1147 OD2 ASP A 492 4.331 -24.739 -5.883 1.00 0.00 O ATOM 0 H ASP A 492 3.775 -23.056 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 492 2.276 -24.147 -3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 492 4.624 -22.775 -3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 492 5.244 -24.402 -3.512 1.00 0.00 H new ATOM 1153 N GLU A 493 3.641 -26.518 -3.826 1.00 0.00 N ATOM 1154 CA GLU A 493 3.879 -27.949 -3.755 1.00 0.00 C ATOM 1155 C GLU A 493 4.634 -28.424 -4.997 1.00 0.00 C ATOM 1156 O GLU A 493 4.541 -29.590 -5.377 1.00 0.00 O ATOM 1157 CB GLU A 493 2.566 -28.717 -3.583 1.00 0.00 C ATOM 1158 CG GLU A 493 1.570 -28.351 -4.687 1.00 0.00 C ATOM 1159 CD GLU A 493 0.373 -27.589 -4.113 1.00 0.00 C ATOM 1160 OE1 GLU A 493 0.179 -26.408 -4.434 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -0.370 -28.270 -3.308 1.00 0.00 O ATOM 0 H GLU A 493 3.671 -26.127 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 493 4.496 -28.151 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 493 2.762 -29.789 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 493 2.133 -28.492 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 493 2.066 -27.741 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 493 1.224 -29.257 -5.185 1.00 0.00 H new ATOM 1169 N CYS A 494 5.366 -27.497 -5.596 1.00 0.00 N ATOM 1170 CA CYS A 494 6.137 -27.806 -6.789 1.00 0.00 C ATOM 1171 C CYS A 494 7.604 -27.478 -6.512 1.00 0.00 C ATOM 1172 O CYS A 494 8.292 -26.920 -7.365 1.00 0.00 O ATOM 1173 CB CYS A 494 5.606 -27.058 -8.015 1.00 0.00 C ATOM 1174 SG CYS A 494 4.331 -27.958 -8.971 1.00 0.00 S ATOM 0 H CYS A 494 5.442 -26.531 -5.278 1.00 0.00 H new ATOM 0 HA CYS A 494 6.041 -28.866 -7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 494 5.190 -26.105 -7.689 1.00 0.00 H new ATOM 0 HB3 CYS A 494 6.443 -26.832 -8.676 1.00 0.00 H new ATOM 1179 N ALA A 495 8.042 -27.839 -5.314 1.00 0.00 N ATOM 1180 CA ALA A 495 9.416 -27.589 -4.912 1.00 0.00 C ATOM 1181 C ALA A 495 10.341 -28.562 -5.644 1.00 0.00 C ATOM 1182 O ALA A 495 11.553 -28.356 -5.694 1.00 0.00 O ATOM 1183 CB ALA A 495 9.533 -27.705 -3.392 1.00 0.00 C ATOM 0 H ALA A 495 7.469 -28.303 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 495 9.718 -26.578 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 495 10.564 -27.517 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 495 8.878 -26.973 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 495 9.241 -28.708 -3.080 1.00 0.00 H new ATOM 1189 N SER A 496 9.734 -29.605 -6.195 1.00 0.00 N ATOM 1190 CA SER A 496 10.489 -30.610 -6.922 1.00 0.00 C ATOM 1191 C SER A 496 9.917 -30.776 -8.332 1.00 0.00 C ATOM 1192 O SER A 496 9.623 -31.892 -8.759 1.00 0.00 O ATOM 1193 CB SER A 496 10.477 -31.949 -6.183 1.00 0.00 C ATOM 1194 OG SER A 496 11.584 -32.081 -5.297 1.00 0.00 O ATOM 0 H SER A 496 8.729 -29.774 -6.152 1.00 0.00 H new ATOM 0 HA SER A 496 11.524 -30.275 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 496 9.549 -32.043 -5.619 1.00 0.00 H new ATOM 0 HB3 SER A 496 10.494 -32.763 -6.908 1.00 0.00 H new ATOM 0 HG SER A 496 11.538 -32.949 -4.844 1.00 0.00 H new ATOM 1200 N SER A 497 9.777 -29.650 -9.015 1.00 0.00 N ATOM 1201 CA SER A 497 9.245 -29.657 -10.368 1.00 0.00 C ATOM 1202 C SER A 497 8.720 -28.266 -10.730 1.00 0.00 C ATOM 1203 O SER A 497 7.511 -28.065 -10.839 1.00 0.00 O ATOM 1204 CB SER A 497 8.136 -30.699 -10.518 1.00 0.00 C ATOM 1205 OG SER A 497 7.478 -30.963 -9.281 1.00 0.00 O ATOM 0 H SER A 497 10.022 -28.727 -8.658 1.00 0.00 H new ATOM 0 HA SER A 497 10.051 -29.924 -11.052 1.00 0.00 H new ATOM 0 HB2 SER A 497 7.407 -30.349 -11.249 1.00 0.00 H new ATOM 0 HB3 SER A 497 8.559 -31.625 -10.908 1.00 0.00 H new ATOM 0 HG SER A 497 7.878 -31.753 -8.860 1.00 0.00 H new ATOM 1211 N PRO A 498 9.678 -27.319 -10.911 1.00 0.00 N ATOM 1212 CA PRO A 498 9.324 -25.954 -11.259 1.00 0.00 C ATOM 1213 C PRO A 498 8.899 -25.854 -12.726 1.00 0.00 C ATOM 1214 O PRO A 498 9.420 -25.025 -13.472 1.00 0.00 O ATOM 1215 CB PRO A 498 10.563 -25.132 -10.943 1.00 0.00 C ATOM 1216 CG PRO A 498 11.713 -26.124 -10.872 1.00 0.00 C ATOM 1217 CD PRO A 498 11.119 -27.521 -10.791 1.00 0.00 C ATOM 0 HA PRO A 498 8.465 -25.587 -10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 498 10.741 -24.382 -11.713 1.00 0.00 H new ATOM 0 HB3 PRO A 498 10.448 -24.599 -9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 498 12.352 -26.031 -11.750 1.00 0.00 H new ATOM 0 HG3 PRO A 498 12.337 -25.923 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 498 11.497 -28.159 -11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 498 11.374 -28.006 -9.848 1.00 0.00 H new ATOM 1225 N CYS A 499 7.956 -26.709 -13.095 1.00 0.00 N ATOM 1226 CA CYS A 499 7.455 -26.727 -14.459 1.00 0.00 C ATOM 1227 C CYS A 499 7.153 -25.288 -14.879 1.00 0.00 C ATOM 1228 O CYS A 499 6.139 -24.719 -14.480 1.00 0.00 O ATOM 1229 CB CYS A 499 6.228 -27.631 -14.598 1.00 0.00 C ATOM 1230 SG CYS A 499 4.731 -27.030 -13.736 1.00 0.00 S ATOM 0 H CYS A 499 7.526 -27.394 -12.473 1.00 0.00 H new ATOM 0 HA CYS A 499 8.212 -27.146 -15.122 1.00 0.00 H new ATOM 0 HB2 CYS A 499 5.998 -27.748 -15.657 1.00 0.00 H new ATOM 0 HB3 CYS A 499 6.478 -28.621 -14.215 1.00 0.00 H new ATOM 1235 N LEU A 500 8.055 -24.739 -15.681 1.00 0.00 N ATOM 1236 CA LEU A 500 7.900 -23.376 -16.161 1.00 0.00 C ATOM 1237 C LEU A 500 8.367 -23.295 -17.615 1.00 0.00 C ATOM 1238 O LEU A 500 8.721 -22.221 -18.098 1.00 0.00 O ATOM 1239 CB LEU A 500 8.615 -22.395 -15.229 1.00 0.00 C ATOM 1240 CG LEU A 500 9.970 -21.877 -15.714 1.00 0.00 C ATOM 1241 CD1 LEU A 500 10.782 -21.300 -14.554 1.00 0.00 C ATOM 1242 CD2 LEU A 500 10.738 -22.969 -16.462 1.00 0.00 C ATOM 0 H LEU A 500 8.896 -25.214 -16.010 1.00 0.00 H new ATOM 0 HA LEU A 500 6.850 -23.085 -16.147 1.00 0.00 H new ATOM 0 HB2 LEU A 500 7.960 -21.540 -15.062 1.00 0.00 H new ATOM 0 HB3 LEU A 500 8.758 -22.880 -14.264 1.00 0.00 H new ATOM 0 HG LEU A 500 9.793 -21.065 -16.420 1.00 0.00 H new ATOM 0 HD11 LEU A 500 11.741 -20.939 -14.925 1.00 0.00 H new ATOM 0 HD12 LEU A 500 10.234 -20.474 -14.101 1.00 0.00 H new ATOM 0 HD13 LEU A 500 10.951 -22.076 -13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 500 11.698 -22.575 -16.796 1.00 0.00 H new ATOM 0 HD22 LEU A 500 10.905 -23.816 -15.797 1.00 0.00 H new ATOM 0 HD23 LEU A 500 10.159 -23.294 -17.326 1.00 0.00 H new ATOM 1254 N HIS A 501 8.354 -24.446 -18.272 1.00 0.00 N ATOM 1255 CA HIS A 501 8.772 -24.517 -19.662 1.00 0.00 C ATOM 1256 C HIS A 501 7.608 -25.012 -20.525 1.00 0.00 C ATOM 1257 O HIS A 501 7.240 -24.366 -21.505 1.00 0.00 O ATOM 1258 CB HIS A 501 10.025 -25.383 -19.808 1.00 0.00 C ATOM 1259 CG HIS A 501 11.319 -24.621 -19.654 1.00 0.00 C ATOM 1260 ND1 HIS A 501 12.054 -24.325 -18.544 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 11.994 -24.067 -20.728 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 13.121 -23.630 -18.919 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 13.084 -23.468 -20.273 1.00 0.00 N flip ATOM 0 H HIS A 501 8.061 -25.336 -17.868 1.00 0.00 H new ATOM 0 HA HIS A 501 9.043 -23.522 -20.014 1.00 0.00 H new ATOM 0 HB2 HIS A 501 9.993 -26.179 -19.064 1.00 0.00 H new ATOM 0 HB3 HIS A 501 10.011 -25.862 -20.787 1.00 0.00 H new ATOM 0 HD2 HIS A 501 11.684 -24.115 -21.762 1.00 0.00 H new ATOM 0 HE1 HIS A 501 13.891 -23.255 -18.261 1.00 0.00 H new ATOM 0 HE2 HIS A 501 13.775 -22.972 -20.836 1.00 0.00 H new ATOM 1271 N ASN A 502 7.061 -26.152 -20.127 1.00 0.00 N ATOM 1272 CA ASN A 502 5.947 -26.738 -20.851 1.00 0.00 C ATOM 1273 C ASN A 502 4.638 -26.377 -20.143 1.00 0.00 C ATOM 1274 O ASN A 502 3.556 -26.560 -20.701 1.00 0.00 O ATOM 1275 CB ASN A 502 6.058 -28.265 -20.889 1.00 0.00 C ATOM 1276 CG ASN A 502 6.082 -28.776 -22.330 1.00 0.00 C ATOM 1277 OD1 ASN A 502 7.091 -29.246 -22.832 1.00 0.00 O ATOM 1278 ND2 ASN A 502 4.920 -28.660 -22.965 1.00 0.00 N ATOM 0 H ASN A 502 7.369 -26.684 -19.313 1.00 0.00 H new ATOM 0 HA ASN A 502 5.963 -26.349 -21.869 1.00 0.00 H new ATOM 0 HB2 ASN A 502 6.964 -28.580 -20.372 1.00 0.00 H new ATOM 0 HB3 ASN A 502 5.217 -28.708 -20.356 1.00 0.00 H new ATOM 0 HD21 ASN A 502 4.834 -28.974 -23.932 1.00 0.00 H new ATOM 0 HD22 ASN A 502 4.115 -28.257 -22.486 1.00 0.00 H new ATOM 1285 N GLY A 503 4.781 -25.870 -18.929 1.00 0.00 N ATOM 1286 CA GLY A 503 3.624 -25.481 -18.140 1.00 0.00 C ATOM 1287 C GLY A 503 4.041 -24.644 -16.930 1.00 0.00 C ATOM 1288 O GLY A 503 5.230 -24.504 -16.648 1.00 0.00 O ATOM 0 H GLY A 503 5.680 -25.719 -18.471 1.00 0.00 H new ATOM 0 HA2 GLY A 503 2.932 -24.911 -18.760 1.00 0.00 H new ATOM 0 HA3 GLY A 503 3.092 -26.371 -17.805 1.00 0.00 H new ATOM 1292 N ARG A 504 3.040 -24.107 -16.248 1.00 0.00 N ATOM 1293 CA ARG A 504 3.287 -23.286 -15.075 1.00 0.00 C ATOM 1294 C ARG A 504 2.698 -23.949 -13.829 1.00 0.00 C ATOM 1295 O ARG A 504 1.481 -24.067 -13.701 1.00 0.00 O ATOM 1296 CB ARG A 504 2.678 -21.892 -15.241 1.00 0.00 C ATOM 1297 CG ARG A 504 3.431 -20.861 -14.396 1.00 0.00 C ATOM 1298 CD ARG A 504 2.872 -19.455 -14.621 1.00 0.00 C ATOM 1299 NE ARG A 504 3.968 -18.461 -14.586 1.00 0.00 N ATOM 1300 CZ ARG A 504 4.616 -18.088 -13.461 1.00 0.00 C ATOM 1301 NH1 ARG A 504 4.280 -18.624 -12.268 1.00 0.00 N ATOM 1302 NH2 ARG A 504 5.582 -17.192 -13.546 1.00 0.00 N ATOM 0 H ARG A 504 2.055 -24.225 -16.486 1.00 0.00 H new ATOM 0 HA ARG A 504 4.366 -23.187 -14.960 1.00 0.00 H new ATOM 0 HB2 ARG A 504 2.709 -21.600 -16.291 1.00 0.00 H new ATOM 0 HB3 ARG A 504 1.629 -21.912 -14.947 1.00 0.00 H new ATOM 0 HG2 ARG A 504 3.352 -21.123 -13.341 1.00 0.00 H new ATOM 0 HG3 ARG A 504 4.491 -20.880 -14.651 1.00 0.00 H new ATOM 0 HD2 ARG A 504 2.359 -19.409 -15.582 1.00 0.00 H new ATOM 0 HD3 ARG A 504 2.134 -19.221 -13.854 1.00 0.00 H new ATOM 0 HE ARG A 504 4.252 -18.031 -15.466 1.00 0.00 H new ATOM 0 HH11 ARG A 504 3.532 -19.316 -12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 504 4.774 -18.337 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 504 5.829 -16.793 -14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 504 6.081 -16.899 -12.706 1.00 0.00 H new ATOM 1315 N CYS A 505 3.590 -24.363 -12.941 1.00 0.00 N ATOM 1316 CA CYS A 505 3.173 -25.010 -11.709 1.00 0.00 C ATOM 1317 C CYS A 505 2.324 -24.021 -10.908 1.00 0.00 C ATOM 1318 O CYS A 505 2.828 -23.001 -10.442 1.00 0.00 O ATOM 1319 CB CYS A 505 4.372 -25.517 -10.902 1.00 0.00 C ATOM 1320 SG CYS A 505 4.607 -27.331 -10.936 1.00 0.00 S ATOM 0 H CYS A 505 4.599 -24.263 -13.050 1.00 0.00 H new ATOM 0 HA CYS A 505 2.576 -25.892 -11.943 1.00 0.00 H new ATOM 0 HB2 CYS A 505 5.276 -25.040 -11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 505 4.255 -25.199 -9.866 1.00 0.00 H new ATOM 1325 N LEU A 506 1.050 -24.356 -10.775 1.00 0.00 N ATOM 1326 CA LEU A 506 0.124 -23.510 -10.040 1.00 0.00 C ATOM 1327 C LEU A 506 -0.077 -24.082 -8.636 1.00 0.00 C ATOM 1328 O LEU A 506 -0.327 -25.278 -8.479 1.00 0.00 O ATOM 1329 CB LEU A 506 -1.176 -23.330 -10.824 1.00 0.00 C ATOM 1330 CG LEU A 506 -1.690 -21.894 -10.951 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -0.926 -21.132 -12.037 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -3.200 -21.870 -11.191 1.00 0.00 C ATOM 0 H LEU A 506 0.636 -25.203 -11.164 1.00 0.00 H new ATOM 0 HA LEU A 506 0.536 -22.508 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -1.031 -23.733 -11.826 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -1.950 -23.931 -10.348 1.00 0.00 H new ATOM 0 HG LEU A 506 -1.506 -21.382 -10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -1.311 -20.115 -12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 506 0.134 -21.103 -11.784 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -1.056 -21.636 -12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -3.538 -20.837 -11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -3.431 -22.406 -12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -3.709 -22.350 -10.355 1.00 0.00 H new ATOM 1344 N ASP A 507 0.039 -23.205 -7.651 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.129 -23.608 -6.265 1.00 0.00 C ATOM 1346 C ASP A 507 -1.599 -23.461 -5.870 1.00 0.00 C ATOM 1347 O ASP A 507 -2.038 -22.378 -5.486 1.00 0.00 O ATOM 1348 CB ASP A 507 0.703 -22.726 -5.331 1.00 0.00 C ATOM 1349 CG ASP A 507 0.135 -22.565 -3.918 1.00 0.00 C ATOM 1350 OD1 ASP A 507 -0.087 -21.441 -3.444 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -0.084 -23.670 -3.290 1.00 0.00 O ATOM 0 H ASP A 507 0.248 -22.216 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 507 0.200 -24.643 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 507 1.706 -23.145 -5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 507 0.803 -21.738 -5.781 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.321 -24.567 -5.978 1.00 0.00 N ATOM 1358 CA LYS A 508 -3.734 -24.576 -5.636 1.00 0.00 C ATOM 1359 C LYS A 508 -3.896 -24.965 -4.166 1.00 0.00 C ATOM 1360 O LYS A 508 -3.020 -25.608 -3.590 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.512 -25.474 -6.600 1.00 0.00 C ATOM 1362 CG LYS A 508 -4.306 -25.031 -8.050 1.00 0.00 C ATOM 1363 CD LYS A 508 -5.168 -23.813 -8.380 1.00 0.00 C ATOM 1364 CE LYS A 508 -6.265 -24.173 -9.383 1.00 0.00 C ATOM 1365 NZ LYS A 508 -7.583 -23.696 -8.905 1.00 0.00 N ATOM 0 H LYS A 508 -1.954 -25.463 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 508 -4.161 -23.580 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.187 -26.508 -6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.573 -25.444 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -3.255 -24.792 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -4.556 -25.851 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -5.619 -23.424 -7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -4.542 -23.020 -8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -6.040 -23.727 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -6.293 -25.253 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -8.316 -23.949 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -7.803 -24.141 -7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -7.557 -22.663 -8.790 1.00 0.00 H new ATOM 1378 N ILE A 509 -5.023 -24.558 -3.600 1.00 0.00 N ATOM 1379 CA ILE A 509 -5.311 -24.857 -2.207 1.00 0.00 C ATOM 1380 C ILE A 509 -5.769 -26.310 -2.086 1.00 0.00 C ATOM 1381 O ILE A 509 -6.854 -26.582 -1.575 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.312 -23.847 -1.639 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.552 -23.744 -2.529 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -5.651 -22.485 -1.419 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -8.827 -23.984 -1.720 1.00 0.00 C ATOM 0 H ILE A 509 -5.747 -24.024 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 509 -4.411 -24.755 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 509 -6.644 -24.206 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.591 -22.758 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -7.486 -24.473 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.383 -21.786 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -4.825 -22.591 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.273 -22.106 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.694 -23.905 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -8.795 -24.980 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -8.902 -23.238 -0.929 1.00 0.00 H new ATOM 1397 N ASN A 510 -4.919 -27.208 -2.565 1.00 0.00 N ATOM 1398 CA ASN A 510 -5.223 -28.627 -2.516 1.00 0.00 C ATOM 1399 C ASN A 510 -4.099 -29.409 -3.200 1.00 0.00 C ATOM 1400 O ASN A 510 -3.494 -30.291 -2.594 1.00 0.00 O ATOM 1401 CB ASN A 510 -6.529 -28.936 -3.250 1.00 0.00 C ATOM 1402 CG ASN A 510 -7.117 -30.271 -2.786 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -7.970 -30.333 -1.917 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -6.614 -31.330 -3.413 1.00 0.00 N ATOM 0 H ASN A 510 -4.020 -26.979 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 510 -5.321 -28.915 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -7.248 -28.136 -3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -6.348 -28.968 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -6.941 -32.266 -3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -5.901 -31.206 -4.132 1.00 0.00 H new ATOM 1411 N GLU A 511 -3.855 -29.057 -4.454 1.00 0.00 N ATOM 1412 CA GLU A 511 -2.815 -29.713 -5.227 1.00 0.00 C ATOM 1413 C GLU A 511 -2.146 -28.714 -6.173 1.00 0.00 C ATOM 1414 O GLU A 511 -2.281 -27.504 -6.000 1.00 0.00 O ATOM 1415 CB GLU A 511 -3.378 -30.907 -6.000 1.00 0.00 C ATOM 1416 CG GLU A 511 -4.316 -30.444 -7.118 1.00 0.00 C ATOM 1417 CD GLU A 511 -4.380 -31.478 -8.243 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -5.402 -32.162 -8.401 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -3.317 -31.559 -8.971 1.00 0.00 O ATOM 0 H GLU A 511 -4.360 -28.325 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 511 -2.061 -30.091 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -2.560 -31.488 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -3.916 -31.565 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -5.315 -30.278 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -3.971 -29.490 -7.516 1.00 0.00 H new ATOM 1427 N PHE A 512 -1.438 -29.258 -7.152 1.00 0.00 N ATOM 1428 CA PHE A 512 -0.746 -28.430 -8.125 1.00 0.00 C ATOM 1429 C PHE A 512 -1.223 -28.740 -9.545 1.00 0.00 C ATOM 1430 O PHE A 512 -1.427 -29.901 -9.896 1.00 0.00 O ATOM 1431 CB PHE A 512 0.744 -28.761 -8.015 1.00 0.00 C ATOM 1432 CG PHE A 512 1.062 -30.251 -8.146 1.00 0.00 C ATOM 1433 CD1 PHE A 512 0.790 -31.097 -7.117 1.00 0.00 C ATOM 1434 CD2 PHE A 512 1.615 -30.730 -9.292 1.00 0.00 C ATOM 1435 CE1 PHE A 512 1.086 -32.480 -7.238 1.00 0.00 C ATOM 1436 CE2 PHE A 512 1.911 -32.115 -9.413 1.00 0.00 C ATOM 1437 CZ PHE A 512 1.639 -32.960 -8.384 1.00 0.00 C ATOM 0 H PHE A 512 -1.329 -30.262 -7.292 1.00 0.00 H new ATOM 0 HA PHE A 512 -0.944 -27.377 -7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 512 1.285 -28.215 -8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 512 1.115 -28.404 -7.054 1.00 0.00 H new ATOM 0 HD1 PHE A 512 0.349 -30.717 -6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 512 1.829 -30.058 -10.110 1.00 0.00 H new ATOM 0 HE1 PHE A 512 0.872 -33.151 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 512 2.352 -32.496 -10.322 1.00 0.00 H new ATOM 0 HZ PHE A 512 1.862 -34.013 -8.476 1.00 0.00 H new ATOM 1447 N GLN A 513 -1.385 -27.680 -10.325 1.00 0.00 N ATOM 1448 CA GLN A 513 -1.833 -27.825 -11.699 1.00 0.00 C ATOM 1449 C GLN A 513 -0.942 -27.008 -12.637 1.00 0.00 C ATOM 1450 O GLN A 513 -0.997 -25.779 -12.638 1.00 0.00 O ATOM 1451 CB GLN A 513 -3.300 -27.416 -11.844 1.00 0.00 C ATOM 1452 CG GLN A 513 -4.202 -28.644 -11.975 1.00 0.00 C ATOM 1453 CD GLN A 513 -4.922 -28.655 -13.325 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -5.606 -27.716 -13.700 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -4.731 -29.765 -14.032 1.00 0.00 N ATOM 0 H GLN A 513 -1.214 -26.718 -10.031 1.00 0.00 H new ATOM 0 HA GLN A 513 -1.753 -28.876 -11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -3.604 -26.828 -10.978 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -3.418 -26.778 -12.720 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -3.606 -29.550 -11.870 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.935 -28.649 -11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -4.146 -30.513 -13.659 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -5.169 -29.868 -14.947 1.00 0.00 H new ATOM 1464 N CYS A 514 -0.141 -27.724 -13.413 1.00 0.00 N ATOM 1465 CA CYS A 514 0.761 -27.081 -14.354 1.00 0.00 C ATOM 1466 C CYS A 514 -0.052 -26.635 -15.571 1.00 0.00 C ATOM 1467 O CYS A 514 -0.448 -27.461 -16.392 1.00 0.00 O ATOM 1468 CB CYS A 514 1.920 -27.999 -14.745 1.00 0.00 C ATOM 1469 SG CYS A 514 3.414 -27.135 -15.351 1.00 0.00 S ATOM 0 H CYS A 514 -0.098 -28.743 -13.409 1.00 0.00 H new ATOM 0 HA CYS A 514 1.218 -26.209 -13.886 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.193 -28.604 -13.880 1.00 0.00 H new ATOM 0 HB3 CYS A 514 1.576 -28.686 -15.519 1.00 0.00 H new ATOM 1474 N GLU A 515 -0.276 -25.332 -15.649 1.00 0.00 N ATOM 1475 CA GLU A 515 -1.034 -24.768 -16.753 1.00 0.00 C ATOM 1476 C GLU A 515 -0.166 -24.695 -18.011 1.00 0.00 C ATOM 1477 O GLU A 515 0.874 -25.346 -18.090 1.00 0.00 O ATOM 1478 CB GLU A 515 -1.590 -23.390 -16.388 1.00 0.00 C ATOM 1479 CG GLU A 515 -0.461 -22.367 -16.233 1.00 0.00 C ATOM 1480 CD GLU A 515 -0.758 -21.099 -17.037 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -1.430 -21.166 -18.077 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -0.260 -20.014 -16.546 1.00 0.00 O ATOM 0 H GLU A 515 0.054 -24.650 -14.966 1.00 0.00 H new ATOM 0 HA GLU A 515 -1.881 -25.422 -16.959 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -2.284 -23.057 -17.160 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -2.156 -23.456 -15.459 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -0.336 -22.114 -15.180 1.00 0.00 H new ATOM 0 HG3 GLU A 515 0.479 -22.804 -16.569 1.00 0.00 H new ATOM 1490 N CYS A 516 -0.626 -23.896 -18.962 1.00 0.00 N ATOM 1491 CA CYS A 516 0.096 -23.728 -20.213 1.00 0.00 C ATOM 1492 C CYS A 516 0.915 -22.440 -20.125 1.00 0.00 C ATOM 1493 O CYS A 516 0.447 -21.435 -19.592 1.00 0.00 O ATOM 1494 CB CYS A 516 -0.849 -23.723 -21.415 1.00 0.00 C ATOM 1495 SG CYS A 516 -0.147 -22.996 -22.941 1.00 0.00 S ATOM 0 H CYS A 516 -1.490 -23.358 -18.892 1.00 0.00 H new ATOM 0 HA CYS A 516 0.766 -24.574 -20.366 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -1.153 -24.749 -21.625 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -1.751 -23.172 -21.148 1.00 0.00 H new ATOM 0 HG CYS A 516 0.498 -21.906 -22.646 1.00 0.00 H new ATOM 1500 N PRO A 517 2.160 -22.511 -20.672 1.00 0.00 N ATOM 1501 CA PRO A 517 3.050 -21.363 -20.661 1.00 0.00 C ATOM 1502 C PRO A 517 2.616 -20.325 -21.697 1.00 0.00 C ATOM 1503 O PRO A 517 1.480 -20.349 -22.169 1.00 0.00 O ATOM 1504 CB PRO A 517 4.432 -21.933 -20.933 1.00 0.00 C ATOM 1505 CG PRO A 517 4.203 -23.306 -21.545 1.00 0.00 C ATOM 1506 CD PRO A 517 2.748 -23.684 -21.312 1.00 0.00 C ATOM 0 HA PRO A 517 3.036 -20.828 -19.711 1.00 0.00 H new ATOM 0 HB2 PRO A 517 4.993 -21.291 -21.612 1.00 0.00 H new ATOM 0 HB3 PRO A 517 5.012 -22.007 -20.013 1.00 0.00 H new ATOM 0 HG2 PRO A 517 4.427 -23.291 -22.612 1.00 0.00 H new ATOM 0 HG3 PRO A 517 4.866 -24.042 -21.090 1.00 0.00 H new ATOM 0 HD2 PRO A 517 2.244 -23.918 -22.250 1.00 0.00 H new ATOM 0 HD3 PRO A 517 2.664 -24.566 -20.677 1.00 0.00 H new