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 501 HIS :FLIP no HE2:sc= -1.4 F(o=-3.7!,f=-1.4) USER MOD Set 1.2: A 502 ASN :FLIP amide:sc= -0.0176 F(o=-2.5,f=-1.4) USER MOD Set 2.1: A 470 GLN :FLIP amide:sc= 0.29 F(o=-0.79,f=-0.14) USER MOD Set 2.2: A 475 GLN : amide:sc= -0.432 K(o=-0.14,f=-0.79) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -4.26! C(o=-4.3!,f=-4.6!) USER MOD Single : A 425 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.00078) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -5.73! C(o=-5.7!,f=-8.5!) USER MOD Single : A 432 THR OG1 : rot -160:sc= -5.6! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.031) USER MOD Single : A 442 GLN :FLIP amide:sc= -2.48! C(o=-5.1!,f=-2.5!) USER MOD Single : A 444 TYR OH : rot -130:sc= -6.45! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.158! USER MOD Single : A 454 ASN : amide:sc= -6.23! C(o=-6.2!,f=-21!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -3.88 F(o=-4.6!,f=-3.9) USER MOD Single : A 462 GLN : amide:sc= -5.8! C(o=-5.8!,f=-5.7!) USER MOD Single : A 463 ASN :FLIP amide:sc= -0.399 F(o=-2.8!,f=-0.4) 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= -6.55! C(o=-7.9!,f=-6.5!) USER MOD Single : A 490 ASN : amide:sc= -12.3! C(o=-12!,f=-18!) USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.168 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 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.6!) USER MOD Single : A 513 GLN : amide:sc= -0.524 K(o=-0.52,f=-2.3) USER MOD Single : A 516 CYS SG : rot 180:sc= -0.48 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 1.537 36.217 8.653 1.00 0.00 N ATOM 19 CA ASP A 412 0.705 35.060 8.938 1.00 0.00 C ATOM 20 C ASP A 412 1.348 34.239 10.056 1.00 0.00 C ATOM 21 O ASP A 412 2.527 34.413 10.361 1.00 0.00 O ATOM 22 CB ASP A 412 0.573 34.162 7.706 1.00 0.00 C ATOM 23 CG ASP A 412 -0.052 32.791 7.971 1.00 0.00 C ATOM 24 OD1 ASP A 412 -1.273 32.613 7.858 1.00 0.00 O ATOM 25 OD2 ASP A 412 0.782 31.868 8.312 1.00 0.00 O ATOM 0 HA ASP A 412 -0.282 35.417 9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.028 34.681 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 412 1.563 34.016 7.273 1.00 0.00 H new ATOM 31 N VAL A 413 0.544 33.359 10.639 1.00 0.00 N ATOM 32 CA VAL A 413 1.019 32.510 11.716 1.00 0.00 C ATOM 33 C VAL A 413 1.057 31.059 11.237 1.00 0.00 C ATOM 34 O VAL A 413 0.299 30.673 10.348 1.00 0.00 O ATOM 35 CB VAL A 413 0.149 32.706 12.960 1.00 0.00 C ATOM 36 CG1 VAL A 413 -1.130 31.874 12.869 1.00 0.00 C ATOM 37 CG2 VAL A 413 0.931 32.375 14.232 1.00 0.00 C ATOM 0 H VAL A 413 -0.433 33.217 10.384 1.00 0.00 H new ATOM 0 HA VAL A 413 2.035 32.786 11.999 1.00 0.00 H new ATOM 0 HB VAL A 413 -0.138 33.756 13.008 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -1.731 32.031 13.765 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -1.701 32.179 11.992 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -0.872 30.818 12.785 1.00 0.00 H new ATOM 0 HG21 VAL A 413 0.291 32.522 15.102 1.00 0.00 H new ATOM 0 HG22 VAL A 413 1.261 31.337 14.196 1.00 0.00 H new ATOM 0 HG23 VAL A 413 1.799 33.030 14.306 1.00 0.00 H new ATOM 47 N ASP A 414 1.950 30.290 11.847 1.00 0.00 N ATOM 48 CA ASP A 414 2.096 28.887 11.493 1.00 0.00 C ATOM 49 C ASP A 414 1.154 28.048 12.357 1.00 0.00 C ATOM 50 O ASP A 414 1.591 27.394 13.303 1.00 0.00 O ATOM 51 CB ASP A 414 3.525 28.404 11.742 1.00 0.00 C ATOM 52 CG ASP A 414 3.791 26.946 11.362 1.00 0.00 C ATOM 53 OD1 ASP A 414 4.944 26.536 11.166 1.00 0.00 O ATOM 54 OD2 ASP A 414 2.737 26.208 11.267 1.00 0.00 O ATOM 0 H ASP A 414 2.579 30.612 12.583 1.00 0.00 H new ATOM 0 HA ASP A 414 1.858 28.778 10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 414 4.210 29.040 11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 414 3.758 28.537 12.798 1.00 0.00 H new ATOM 60 N GLU A 415 -0.121 28.092 12.000 1.00 0.00 N ATOM 61 CA GLU A 415 -1.129 27.341 12.731 1.00 0.00 C ATOM 62 C GLU A 415 -0.760 25.857 12.771 1.00 0.00 C ATOM 63 O GLU A 415 -1.263 25.111 13.610 1.00 0.00 O ATOM 64 CB GLU A 415 -2.517 27.545 12.118 1.00 0.00 C ATOM 65 CG GLU A 415 -2.937 29.014 12.191 1.00 0.00 C ATOM 66 CD GLU A 415 -3.054 29.621 10.790 1.00 0.00 C ATOM 67 OE1 GLU A 415 -2.892 30.839 10.627 1.00 0.00 O ATOM 68 OE2 GLU A 415 -3.324 28.778 9.853 1.00 0.00 O ATOM 0 H GLU A 415 -0.480 28.635 11.215 1.00 0.00 H new ATOM 0 HA GLU A 415 -1.161 27.715 13.754 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -2.512 27.216 11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -3.245 26.928 12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -3.893 29.098 12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -2.208 29.576 12.775 1.00 0.00 H new ATOM 76 N CYS A 416 0.114 25.472 11.853 1.00 0.00 N ATOM 77 CA CYS A 416 0.555 24.090 11.775 1.00 0.00 C ATOM 78 C CYS A 416 1.608 23.858 12.860 1.00 0.00 C ATOM 79 O CYS A 416 1.871 22.719 13.242 1.00 0.00 O ATOM 80 CB CYS A 416 1.087 23.746 10.381 1.00 0.00 C ATOM 81 SG CYS A 416 0.230 22.357 9.554 1.00 0.00 S ATOM 0 H CYS A 416 0.528 26.092 11.157 1.00 0.00 H new ATOM 0 HA CYS A 416 -0.292 23.425 11.945 1.00 0.00 H new ATOM 0 HB2 CYS A 416 1.009 24.631 9.749 1.00 0.00 H new ATOM 0 HB3 CYS A 416 2.147 23.504 10.461 1.00 0.00 H new ATOM 86 N SER A 417 2.182 24.957 13.326 1.00 0.00 N ATOM 87 CA SER A 417 3.201 24.889 14.360 1.00 0.00 C ATOM 88 C SER A 417 2.581 25.192 15.726 1.00 0.00 C ATOM 89 O SER A 417 3.092 24.753 16.755 1.00 0.00 O ATOM 90 CB SER A 417 4.348 25.859 14.070 1.00 0.00 C ATOM 91 OG SER A 417 5.342 25.832 15.091 1.00 0.00 O ATOM 0 H SER A 417 1.961 25.900 13.007 1.00 0.00 H new ATOM 0 HA SER A 417 3.611 23.879 14.370 1.00 0.00 H new ATOM 0 HB2 SER A 417 4.804 25.605 13.113 1.00 0.00 H new ATOM 0 HB3 SER A 417 3.952 26.870 13.976 1.00 0.00 H new ATOM 0 HG SER A 417 6.057 26.464 14.868 1.00 0.00 H new ATOM 97 N LEU A 418 1.488 25.941 15.690 1.00 0.00 N ATOM 98 CA LEU A 418 0.795 26.309 16.913 1.00 0.00 C ATOM 99 C LEU A 418 0.181 25.056 17.541 1.00 0.00 C ATOM 100 O LEU A 418 0.726 24.508 18.498 1.00 0.00 O ATOM 101 CB LEU A 418 -0.223 27.420 16.638 1.00 0.00 C ATOM 102 CG LEU A 418 0.358 28.816 16.402 1.00 0.00 C ATOM 103 CD1 LEU A 418 -0.304 29.488 15.198 1.00 0.00 C ATOM 104 CD2 LEU A 418 0.255 29.673 17.665 1.00 0.00 C ATOM 0 H LEU A 418 1.066 26.302 14.835 1.00 0.00 H new ATOM 0 HA LEU A 418 1.495 26.721 17.639 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -0.810 27.140 15.764 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -0.912 27.472 17.481 1.00 0.00 H new ATOM 0 HG LEU A 418 1.418 28.711 16.170 1.00 0.00 H new ATOM 0 HD11 LEU A 418 0.127 30.479 15.052 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -0.136 28.884 14.306 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -1.375 29.581 15.377 1.00 0.00 H new ATOM 0 HD21 LEU A 418 0.675 30.660 17.470 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -0.792 29.774 17.952 1.00 0.00 H new ATOM 0 HD23 LEU A 418 0.808 29.196 18.474 1.00 0.00 H new ATOM 116 N GLY A 419 -0.945 24.642 16.980 1.00 0.00 N ATOM 117 CA GLY A 419 -1.638 23.465 17.474 1.00 0.00 C ATOM 118 C GLY A 419 -2.679 22.975 16.464 1.00 0.00 C ATOM 119 O GLY A 419 -3.712 22.430 16.847 1.00 0.00 O ATOM 0 H GLY A 419 -1.395 25.101 16.188 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -0.918 22.671 17.673 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -2.126 23.697 18.421 1.00 0.00 H new ATOM 123 N ALA A 420 -2.368 23.189 15.193 1.00 0.00 N ATOM 124 CA ALA A 420 -3.264 22.778 14.125 1.00 0.00 C ATOM 125 C ALA A 420 -2.506 21.873 13.151 1.00 0.00 C ATOM 126 O ALA A 420 -2.136 22.303 12.059 1.00 0.00 O ATOM 127 CB ALA A 420 -3.844 24.017 13.440 1.00 0.00 C ATOM 0 H ALA A 420 -1.509 23.641 14.879 1.00 0.00 H new ATOM 0 HA ALA A 420 -4.101 22.205 14.524 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -4.516 23.709 12.639 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -4.396 24.611 14.169 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -3.034 24.615 13.024 1.00 0.00 H new ATOM 133 N ASN A 421 -2.299 20.638 13.581 1.00 0.00 N ATOM 134 CA ASN A 421 -1.592 19.668 12.762 1.00 0.00 C ATOM 135 C ASN A 421 -2.537 18.516 12.413 1.00 0.00 C ATOM 136 O ASN A 421 -2.862 17.694 13.269 1.00 0.00 O ATOM 137 CB ASN A 421 -0.391 19.085 13.509 1.00 0.00 C ATOM 138 CG ASN A 421 0.420 18.156 12.603 1.00 0.00 C ATOM 139 OD1 ASN A 421 1.396 18.547 11.984 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.037 16.909 12.560 1.00 0.00 N ATOM 0 H ASN A 421 -2.609 20.286 14.487 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.244 20.177 11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 421 0.245 19.893 13.870 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -0.735 18.535 14.385 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.435 16.212 11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.860 16.648 13.103 1.00 0.00 H new ATOM 147 N PRO A 422 -2.963 18.492 11.121 1.00 0.00 N ATOM 148 CA PRO A 422 -3.864 17.455 10.649 1.00 0.00 C ATOM 149 C PRO A 422 -3.124 16.128 10.467 1.00 0.00 C ATOM 150 O PRO A 422 -3.679 15.061 10.731 1.00 0.00 O ATOM 151 CB PRO A 422 -4.442 17.996 9.352 1.00 0.00 C ATOM 152 CG PRO A 422 -3.501 19.103 8.906 1.00 0.00 C ATOM 153 CD PRO A 422 -2.598 19.448 10.081 1.00 0.00 C ATOM 0 HA PRO A 422 -4.659 17.232 11.361 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.509 17.212 8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.451 18.379 9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.908 18.779 8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.066 19.979 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.546 19.358 9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -2.755 20.474 10.413 1.00 0.00 H new ATOM 161 N CYS A 423 -1.882 16.236 10.017 1.00 0.00 N ATOM 162 CA CYS A 423 -1.061 15.058 9.795 1.00 0.00 C ATOM 163 C CYS A 423 -0.802 14.392 11.148 1.00 0.00 C ATOM 164 O CYS A 423 0.349 14.203 11.541 1.00 0.00 O ATOM 165 CB CYS A 423 0.242 15.405 9.071 1.00 0.00 C ATOM 166 SG CYS A 423 0.024 16.181 7.429 1.00 0.00 S ATOM 0 H CYS A 423 -1.425 17.122 9.800 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.588 14.362 9.143 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.823 16.078 9.701 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.829 14.494 8.952 1.00 0.00 H new ATOM 171 N GLU A 424 -1.890 14.056 11.824 1.00 0.00 N ATOM 172 CA GLU A 424 -1.795 13.415 13.124 1.00 0.00 C ATOM 173 C GLU A 424 -0.388 13.585 13.699 1.00 0.00 C ATOM 174 O GLU A 424 -0.081 14.615 14.300 1.00 0.00 O ATOM 175 CB GLU A 424 -2.176 11.935 13.036 1.00 0.00 C ATOM 176 CG GLU A 424 -3.673 11.768 12.770 1.00 0.00 C ATOM 177 CD GLU A 424 -4.150 10.373 13.179 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.266 9.482 12.323 1.00 0.00 O ATOM 179 OE2 GLU A 424 -4.404 10.230 14.434 1.00 0.00 O ATOM 0 H GLU A 424 -2.842 14.216 11.496 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.502 13.899 13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.606 11.456 12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -1.910 11.432 13.966 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.231 12.524 13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.878 11.931 11.712 1.00 0.00 H new ATOM 187 N HIS A 425 0.428 12.563 13.495 1.00 0.00 N ATOM 188 CA HIS A 425 1.796 12.587 13.986 1.00 0.00 C ATOM 189 C HIS A 425 2.741 12.071 12.898 1.00 0.00 C ATOM 190 O HIS A 425 3.913 11.809 13.163 1.00 0.00 O ATOM 191 CB HIS A 425 1.917 11.808 15.296 1.00 0.00 C ATOM 192 CG HIS A 425 1.659 10.327 15.156 1.00 0.00 C ATOM 193 ND1 HIS A 425 2.500 9.365 15.687 1.00 0.00 N ATOM 194 CD2 HIS A 425 0.646 9.653 14.538 1.00 0.00 C ATOM 195 CE1 HIS A 425 2.005 8.170 15.398 1.00 0.00 C ATOM 196 NE2 HIS A 425 0.856 8.351 14.685 1.00 0.00 N ATOM 0 H HIS A 425 0.169 11.712 12.996 1.00 0.00 H new ATOM 0 HA HIS A 425 2.087 13.613 14.214 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.917 11.955 15.703 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.214 12.222 16.019 1.00 0.00 H new ATOM 0 HD2 HIS A 425 -0.186 10.103 14.017 1.00 0.00 H new ATOM 0 HE1 HIS A 425 2.436 7.220 15.678 1.00 0.00 H new ATOM 0 HE2 HIS A 425 0.257 7.608 14.324 1.00 0.00 H new ATOM 204 N ALA A 426 2.195 11.941 11.699 1.00 0.00 N ATOM 205 CA ALA A 426 2.974 11.461 10.570 1.00 0.00 C ATOM 206 C ALA A 426 2.609 12.268 9.322 1.00 0.00 C ATOM 207 O ALA A 426 1.543 12.069 8.740 1.00 0.00 O ATOM 208 CB ALA A 426 2.735 9.962 10.385 1.00 0.00 C ATOM 0 H ALA A 426 1.222 12.160 11.484 1.00 0.00 H new ATOM 0 HA ALA A 426 4.039 11.601 10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.319 9.602 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.039 9.431 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.676 9.783 10.198 1.00 0.00 H new ATOM 214 N GLY A 427 3.512 13.161 8.949 1.00 0.00 N ATOM 215 CA GLY A 427 3.298 14.000 7.781 1.00 0.00 C ATOM 216 C GLY A 427 4.107 15.294 7.880 1.00 0.00 C ATOM 217 O GLY A 427 4.877 15.480 8.821 1.00 0.00 O ATOM 0 H GLY A 427 4.394 13.323 9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.584 13.456 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.238 14.236 7.688 1.00 0.00 H new ATOM 221 N LYS A 428 3.906 16.157 6.894 1.00 0.00 N ATOM 222 CA LYS A 428 4.607 17.429 6.858 1.00 0.00 C ATOM 223 C LYS A 428 3.616 18.561 7.134 1.00 0.00 C ATOM 224 O LYS A 428 2.629 18.716 6.416 1.00 0.00 O ATOM 225 CB LYS A 428 5.367 17.585 5.538 1.00 0.00 C ATOM 226 CG LYS A 428 6.539 18.555 5.691 1.00 0.00 C ATOM 227 CD LYS A 428 7.860 17.799 5.848 1.00 0.00 C ATOM 228 CE LYS A 428 8.741 17.971 4.608 1.00 0.00 C ATOM 229 NZ LYS A 428 9.862 18.894 4.893 1.00 0.00 N ATOM 0 H LYS A 428 3.268 16.000 6.114 1.00 0.00 H new ATOM 0 HA LYS A 428 5.363 17.469 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.735 16.613 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 428 4.689 17.947 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.591 19.208 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.376 19.194 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.390 18.164 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.660 16.740 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 428 9.130 17.003 4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 428 8.145 18.358 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.450 19.000 4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.485 19.823 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 10.440 18.509 5.667 1.00 0.00 H new ATOM 242 N CYS A 429 3.913 19.323 8.176 1.00 0.00 N ATOM 243 CA CYS A 429 3.061 20.436 8.556 1.00 0.00 C ATOM 244 C CYS A 429 3.799 21.738 8.236 1.00 0.00 C ATOM 245 O CYS A 429 4.779 22.079 8.898 1.00 0.00 O ATOM 246 CB CYS A 429 2.651 20.360 10.028 1.00 0.00 C ATOM 247 SG CYS A 429 0.899 20.767 10.360 1.00 0.00 S ATOM 0 H CYS A 429 4.732 19.191 8.769 1.00 0.00 H new ATOM 0 HA CYS A 429 2.133 20.396 7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.851 19.353 10.394 1.00 0.00 H new ATOM 0 HB3 CYS A 429 3.282 21.039 10.602 1.00 0.00 H new ATOM 252 N ILE A 430 3.301 22.430 7.221 1.00 0.00 N ATOM 253 CA ILE A 430 3.902 23.687 6.806 1.00 0.00 C ATOM 254 C ILE A 430 2.952 24.838 7.146 1.00 0.00 C ATOM 255 O ILE A 430 1.797 24.609 7.500 1.00 0.00 O ATOM 256 CB ILE A 430 4.295 23.630 5.329 1.00 0.00 C ATOM 257 CG1 ILE A 430 3.781 22.347 4.674 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.807 23.795 5.158 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.487 21.116 5.248 1.00 0.00 C ATOM 0 H ILE A 430 2.489 22.144 6.674 1.00 0.00 H new ATOM 0 HA ILE A 430 4.828 23.866 7.352 1.00 0.00 H new ATOM 0 HB ILE A 430 3.819 24.466 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.706 22.260 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 430 3.943 22.394 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.060 23.751 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.116 24.758 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.323 22.994 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.103 20.218 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.559 21.194 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.303 21.058 6.321 1.00 0.00 H new ATOM 271 N ASN A 431 3.474 26.049 7.025 1.00 0.00 N ATOM 272 CA ASN A 431 2.687 27.236 7.314 1.00 0.00 C ATOM 273 C ASN A 431 2.370 27.964 6.006 1.00 0.00 C ATOM 274 O ASN A 431 3.220 28.059 5.123 1.00 0.00 O ATOM 275 CB ASN A 431 3.459 28.200 8.218 1.00 0.00 C ATOM 276 CG ASN A 431 2.732 29.543 8.331 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.536 29.651 8.118 1.00 0.00 O ATOM 278 ND2 ASN A 431 3.520 30.556 8.680 1.00 0.00 N ATOM 0 H ASN A 431 4.433 26.234 6.731 1.00 0.00 H new ATOM 0 HA ASN A 431 1.773 26.921 7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 431 3.576 27.761 9.209 1.00 0.00 H new ATOM 0 HB3 ASN A 431 4.461 28.357 7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 431 3.130 31.493 8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.514 30.396 8.844 1.00 0.00 H new ATOM 285 N THR A 432 1.145 28.458 5.924 1.00 0.00 N ATOM 286 CA THR A 432 0.704 29.174 4.740 1.00 0.00 C ATOM 287 C THR A 432 0.117 30.533 5.125 1.00 0.00 C ATOM 288 O THR A 432 -0.090 30.812 6.305 1.00 0.00 O ATOM 289 CB THR A 432 -0.281 28.280 3.984 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.624 27.268 4.928 1.00 0.00 O ATOM 291 CG2 THR A 432 0.383 27.512 2.840 1.00 0.00 C ATOM 0 H THR A 432 0.443 28.377 6.659 1.00 0.00 H new ATOM 0 HA THR A 432 1.541 29.392 4.077 1.00 0.00 H new ATOM 0 HB THR A 432 -1.094 28.889 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 432 -0.988 26.490 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 432 -0.360 26.893 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.810 28.218 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.174 26.877 3.239 1.00 0.00 H new ATOM 299 N LEU A 433 -0.133 31.345 4.106 1.00 0.00 N ATOM 300 CA LEU A 433 -0.691 32.668 4.324 1.00 0.00 C ATOM 301 C LEU A 433 -2.185 32.543 4.634 1.00 0.00 C ATOM 302 O LEU A 433 -2.943 31.991 3.839 1.00 0.00 O ATOM 303 CB LEU A 433 -0.385 33.581 3.135 1.00 0.00 C ATOM 304 CG LEU A 433 0.798 34.535 3.309 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.229 35.126 1.965 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.479 35.622 4.337 1.00 0.00 C ATOM 0 H LEU A 433 0.041 31.111 3.129 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.224 33.140 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.197 32.956 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.274 34.173 2.918 1.00 0.00 H new ATOM 0 HG LEU A 433 1.643 33.964 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 433 2.072 35.801 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.526 34.321 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.397 35.678 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 433 1.337 36.287 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -0.386 36.195 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 433 0.259 35.160 5.299 1.00 0.00 H new ATOM 318 N GLY A 434 -2.562 33.062 5.792 1.00 0.00 N ATOM 319 CA GLY A 434 -3.950 33.017 6.218 1.00 0.00 C ATOM 320 C GLY A 434 -4.278 31.672 6.871 1.00 0.00 C ATOM 321 O GLY A 434 -4.924 31.628 7.917 1.00 0.00 O ATOM 0 H GLY A 434 -1.929 33.517 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -4.144 33.825 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.603 33.178 5.360 1.00 0.00 H new ATOM 325 N SER A 435 -3.819 30.610 6.226 1.00 0.00 N ATOM 326 CA SER A 435 -4.056 29.268 6.732 1.00 0.00 C ATOM 327 C SER A 435 -2.753 28.466 6.717 1.00 0.00 C ATOM 328 O SER A 435 -1.742 28.927 6.189 1.00 0.00 O ATOM 329 CB SER A 435 -5.129 28.552 5.911 1.00 0.00 C ATOM 330 OG SER A 435 -6.276 29.372 5.698 1.00 0.00 O ATOM 0 H SER A 435 -3.285 30.651 5.358 1.00 0.00 H new ATOM 0 HA SER A 435 -4.415 29.347 7.758 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.711 28.256 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.427 27.638 6.424 1.00 0.00 H new ATOM 0 HG SER A 435 -6.937 28.879 5.168 1.00 0.00 H new ATOM 336 N PHE A 436 -2.820 27.279 7.302 1.00 0.00 N ATOM 337 CA PHE A 436 -1.658 26.409 7.363 1.00 0.00 C ATOM 338 C PHE A 436 -1.768 25.275 6.341 1.00 0.00 C ATOM 339 O PHE A 436 -2.869 24.906 5.933 1.00 0.00 O ATOM 340 CB PHE A 436 -1.621 25.809 8.770 1.00 0.00 C ATOM 341 CG PHE A 436 -2.873 25.011 9.138 1.00 0.00 C ATOM 342 CD1 PHE A 436 -3.961 25.648 9.647 1.00 0.00 C ATOM 343 CD2 PHE A 436 -2.898 23.662 8.957 1.00 0.00 C ATOM 344 CE1 PHE A 436 -5.123 24.906 9.990 1.00 0.00 C ATOM 345 CE2 PHE A 436 -4.060 22.921 9.299 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.148 23.559 9.809 1.00 0.00 C ATOM 0 H PHE A 436 -3.661 26.900 7.738 1.00 0.00 H new ATOM 0 HA PHE A 436 -0.756 26.978 7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -0.750 25.159 8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -1.489 26.613 9.494 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -3.942 26.718 9.791 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -2.034 23.155 8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -5.987 25.412 10.395 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -4.080 21.851 9.154 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.031 22.995 10.070 1.00 0.00 H new ATOM 356 N GLU A 437 -0.612 24.754 5.955 1.00 0.00 N ATOM 357 CA GLU A 437 -0.565 23.670 4.989 1.00 0.00 C ATOM 358 C GLU A 437 0.149 22.457 5.588 1.00 0.00 C ATOM 359 O GLU A 437 1.072 22.607 6.388 1.00 0.00 O ATOM 360 CB GLU A 437 0.112 24.121 3.693 1.00 0.00 C ATOM 361 CG GLU A 437 0.607 22.918 2.886 1.00 0.00 C ATOM 362 CD GLU A 437 0.621 23.232 1.388 1.00 0.00 C ATOM 363 OE1 GLU A 437 -0.116 24.120 0.933 1.00 0.00 O ATOM 364 OE2 GLU A 437 1.434 22.514 0.690 1.00 0.00 O ATOM 0 H GLU A 437 0.299 25.063 6.294 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.587 23.381 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.590 24.701 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.951 24.777 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.610 22.644 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -0.036 22.059 3.075 1.00 0.00 H new ATOM 372 N CYS A 438 -0.304 21.281 5.176 1.00 0.00 N ATOM 373 CA CYS A 438 0.279 20.044 5.661 1.00 0.00 C ATOM 374 C CYS A 438 0.325 19.047 4.501 1.00 0.00 C ATOM 375 O CYS A 438 -0.698 18.761 3.882 1.00 0.00 O ATOM 376 CB CYS A 438 -0.490 19.486 6.861 1.00 0.00 C ATOM 377 SG CYS A 438 0.262 18.010 7.639 1.00 0.00 S ATOM 0 H CYS A 438 -1.068 21.160 4.511 1.00 0.00 H new ATOM 0 HA CYS A 438 1.291 20.233 6.018 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.579 20.270 7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.501 19.235 6.541 1.00 0.00 H new ATOM 382 N GLN A 439 1.524 18.545 4.241 1.00 0.00 N ATOM 383 CA GLN A 439 1.718 17.588 3.166 1.00 0.00 C ATOM 384 C GLN A 439 1.342 16.180 3.634 1.00 0.00 C ATOM 385 O GLN A 439 1.297 15.913 4.834 1.00 0.00 O ATOM 386 CB GLN A 439 3.157 17.626 2.649 1.00 0.00 C ATOM 387 CG GLN A 439 3.676 19.064 2.580 1.00 0.00 C ATOM 388 CD GLN A 439 4.800 19.192 1.550 1.00 0.00 C ATOM 389 OE1 GLN A 439 4.624 18.952 0.367 1.00 0.00 O ATOM 390 NE2 GLN A 439 5.964 19.584 2.063 1.00 0.00 N ATOM 0 H GLN A 439 2.371 18.784 4.757 1.00 0.00 H new ATOM 0 HA GLN A 439 1.063 17.864 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 439 3.798 17.035 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.204 17.170 1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 439 2.860 19.737 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.040 19.371 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.044 19.769 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 439 6.776 19.700 1.456 1.00 0.00 H new ATOM 399 N CYS A 440 1.080 15.318 2.663 1.00 0.00 N ATOM 400 CA CYS A 440 0.709 13.946 2.961 1.00 0.00 C ATOM 401 C CYS A 440 1.988 13.147 3.223 1.00 0.00 C ATOM 402 O CYS A 440 3.069 13.538 2.783 1.00 0.00 O ATOM 403 CB CYS A 440 -0.128 13.329 1.839 1.00 0.00 C ATOM 404 SG CYS A 440 -1.921 13.681 1.937 1.00 0.00 S ATOM 0 H CYS A 440 1.117 15.543 1.669 1.00 0.00 H new ATOM 0 HA CYS A 440 0.079 13.923 3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.248 13.693 0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 440 0.017 12.249 1.849 1.00 0.00 H new ATOM 409 N LEU A 441 1.824 12.043 3.938 1.00 0.00 N ATOM 410 CA LEU A 441 2.952 11.188 4.263 1.00 0.00 C ATOM 411 C LEU A 441 2.814 9.861 3.512 1.00 0.00 C ATOM 412 O LEU A 441 2.110 8.960 3.964 1.00 0.00 O ATOM 413 CB LEU A 441 3.083 11.026 5.778 1.00 0.00 C ATOM 414 CG LEU A 441 4.511 10.975 6.327 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.192 9.655 5.960 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.321 12.187 5.861 1.00 0.00 C ATOM 0 H LEU A 441 0.927 11.722 4.301 1.00 0.00 H new ATOM 0 HA LEU A 441 3.884 11.646 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.560 11.853 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.569 10.110 6.071 1.00 0.00 H new ATOM 0 HG LEU A 441 4.461 11.020 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.205 9.644 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.626 8.824 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.231 9.555 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.332 12.126 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.366 12.198 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.844 13.101 6.214 1.00 0.00 H new ATOM 428 N GLN A 442 3.495 9.786 2.379 1.00 0.00 N ATOM 429 CA GLN A 442 3.458 8.585 1.561 1.00 0.00 C ATOM 430 C GLN A 442 2.074 8.416 0.932 1.00 0.00 C ATOM 431 O GLN A 442 1.808 8.947 -0.145 1.00 0.00 O ATOM 432 CB GLN A 442 3.842 7.351 2.381 1.00 0.00 C ATOM 433 CG GLN A 442 5.292 6.944 2.112 1.00 0.00 C ATOM 434 CD GLN A 442 6.073 6.801 3.420 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.276 7.951 4.059 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.465 5.719 3.824 1.00 0.00 N flip ATOM 0 H GLN A 442 4.076 10.537 2.007 1.00 0.00 H new ATOM 0 HA GLN A 442 4.190 8.690 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.710 7.560 3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.176 6.524 2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.313 6.001 1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.771 7.690 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.275 4.874 3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.982 5.659 4.701 1.00 0.00 H new ATOM 445 N GLY A 443 1.229 7.671 1.630 1.00 0.00 N ATOM 446 CA GLY A 443 -0.122 7.425 1.153 1.00 0.00 C ATOM 447 C GLY A 443 -1.159 7.861 2.190 1.00 0.00 C ATOM 448 O GLY A 443 -1.809 7.023 2.812 1.00 0.00 O ATOM 0 H GLY A 443 1.453 7.230 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -0.286 7.965 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.246 6.365 0.933 1.00 0.00 H new ATOM 452 N TYR A 444 -1.279 9.172 2.343 1.00 0.00 N ATOM 453 CA TYR A 444 -2.226 9.728 3.295 1.00 0.00 C ATOM 454 C TYR A 444 -3.462 10.280 2.580 1.00 0.00 C ATOM 455 O TYR A 444 -3.424 10.541 1.380 1.00 0.00 O ATOM 456 CB TYR A 444 -1.497 10.880 3.991 1.00 0.00 C ATOM 457 CG TYR A 444 -0.961 10.528 5.380 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.167 9.413 5.551 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.273 11.327 6.462 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.338 9.083 6.859 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.769 10.997 7.770 1.00 0.00 C ATOM 462 CZ TYR A 444 0.013 9.891 7.904 1.00 0.00 C ATOM 463 OH TYR A 444 0.489 9.579 9.139 1.00 0.00 O ATOM 0 H TYR A 444 -0.737 9.864 1.825 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.562 8.962 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.666 11.203 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -2.178 11.727 4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.076 8.788 4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.895 12.200 6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.961 8.213 7.007 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.006 11.613 8.625 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.247 9.589 9.786 1.00 0.00 H new ATOM 473 N THR A 445 -4.528 10.440 3.351 1.00 0.00 N ATOM 474 CA THR A 445 -5.773 10.956 2.807 1.00 0.00 C ATOM 475 C THR A 445 -5.957 12.424 3.194 1.00 0.00 C ATOM 476 O THR A 445 -5.116 13.264 2.873 1.00 0.00 O ATOM 477 CB THR A 445 -6.910 10.054 3.290 1.00 0.00 C ATOM 478 OG1 THR A 445 -8.093 10.750 2.906 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.996 9.986 4.815 1.00 0.00 C ATOM 0 H THR A 445 -4.555 10.222 4.347 1.00 0.00 H new ATOM 0 HA THR A 445 -5.765 10.938 1.717 1.00 0.00 H new ATOM 0 HB THR A 445 -6.771 9.050 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.880 10.234 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.819 9.333 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 445 -6.062 9.591 5.215 1.00 0.00 H new ATOM 0 HG23 THR A 445 -7.168 10.985 5.215 1.00 0.00 H new ATOM 487 N GLY A 446 -7.060 12.690 3.877 1.00 0.00 N ATOM 488 CA GLY A 446 -7.365 14.043 4.311 1.00 0.00 C ATOM 489 C GLY A 446 -7.998 14.854 3.178 1.00 0.00 C ATOM 490 O GLY A 446 -7.817 14.533 2.005 1.00 0.00 O ATOM 0 H GLY A 446 -7.754 11.991 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -8.044 14.011 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.453 14.535 4.649 1.00 0.00 H new ATOM 494 N PRO A 447 -8.749 15.913 3.581 1.00 0.00 N ATOM 495 CA PRO A 447 -9.411 16.772 2.612 1.00 0.00 C ATOM 496 C PRO A 447 -8.407 17.699 1.926 1.00 0.00 C ATOM 497 O PRO A 447 -8.620 18.120 0.789 1.00 0.00 O ATOM 498 CB PRO A 447 -10.465 17.523 3.409 1.00 0.00 C ATOM 499 CG PRO A 447 -10.048 17.405 4.866 1.00 0.00 C ATOM 500 CD PRO A 447 -8.987 16.322 4.961 1.00 0.00 C ATOM 0 HA PRO A 447 -9.870 16.212 1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -10.517 18.567 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -11.454 17.094 3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.657 18.355 5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.906 17.154 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -8.076 16.700 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -9.330 15.484 5.569 1.00 0.00 H new ATOM 508 N ARG A 448 -7.332 17.990 2.643 1.00 0.00 N ATOM 509 CA ARG A 448 -6.294 18.861 2.118 1.00 0.00 C ATOM 510 C ARG A 448 -5.020 18.060 1.839 1.00 0.00 C ATOM 511 O ARG A 448 -4.084 18.569 1.225 1.00 0.00 O ATOM 512 CB ARG A 448 -5.973 19.991 3.098 1.00 0.00 C ATOM 513 CG ARG A 448 -7.226 20.804 3.426 1.00 0.00 C ATOM 514 CD ARG A 448 -7.720 21.570 2.197 1.00 0.00 C ATOM 515 NE ARG A 448 -8.269 22.883 2.604 1.00 0.00 N ATOM 516 CZ ARG A 448 -8.971 23.696 1.787 1.00 0.00 C ATOM 517 NH1 ARG A 448 -9.217 23.337 0.509 1.00 0.00 N ATOM 518 NH2 ARG A 448 -9.413 24.848 2.257 1.00 0.00 N ATOM 0 H ARG A 448 -7.157 17.638 3.584 1.00 0.00 H new ATOM 0 HA ARG A 448 -6.665 19.296 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -5.555 19.575 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -5.213 20.644 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -8.012 20.139 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -7.009 21.504 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -6.900 21.712 1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -8.486 20.991 1.681 1.00 0.00 H new ATOM 0 HE ARG A 448 -8.107 23.193 3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -8.871 22.445 0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -9.748 23.957 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -9.222 25.111 3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -9.945 25.475 1.653 1.00 0.00 H new ATOM 531 N CYS A 449 -5.027 16.818 2.302 1.00 0.00 N ATOM 532 CA CYS A 449 -3.884 15.942 2.110 1.00 0.00 C ATOM 533 C CYS A 449 -3.008 16.013 3.363 1.00 0.00 C ATOM 534 O CYS A 449 -1.856 16.437 3.295 1.00 0.00 O ATOM 535 CB CYS A 449 -3.101 16.300 0.846 1.00 0.00 C ATOM 536 SG CYS A 449 -2.075 14.946 0.168 1.00 0.00 S ATOM 0 H CYS A 449 -5.806 16.398 2.809 1.00 0.00 H new ATOM 0 HA CYS A 449 -4.229 14.918 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -3.805 16.622 0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -2.456 17.151 1.064 1.00 0.00 H new ATOM 541 N GLU A 450 -3.589 15.593 4.477 1.00 0.00 N ATOM 542 CA GLU A 450 -2.877 15.603 5.742 1.00 0.00 C ATOM 543 C GLU A 450 -3.502 14.600 6.713 1.00 0.00 C ATOM 544 O GLU A 450 -3.338 14.717 7.926 1.00 0.00 O ATOM 545 CB GLU A 450 -2.855 17.009 6.348 1.00 0.00 C ATOM 546 CG GLU A 450 -3.803 17.945 5.596 1.00 0.00 C ATOM 547 CD GLU A 450 -5.254 17.477 5.729 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.754 16.752 4.856 1.00 0.00 O ATOM 549 OE2 GLU A 450 -5.866 17.891 6.786 1.00 0.00 O ATOM 0 H GLU A 450 -4.546 15.243 4.529 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.845 15.305 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -3.143 16.961 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.841 17.408 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -3.706 18.958 5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -3.524 17.982 4.543 1.00 0.00 H new ATOM 557 N ILE A 451 -4.205 13.633 6.142 1.00 0.00 N ATOM 558 CA ILE A 451 -4.857 12.608 6.941 1.00 0.00 C ATOM 559 C ILE A 451 -4.381 11.230 6.480 1.00 0.00 C ATOM 560 O ILE A 451 -4.132 11.021 5.293 1.00 0.00 O ATOM 561 CB ILE A 451 -6.375 12.781 6.899 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.816 13.968 7.760 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.086 11.487 7.302 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.156 15.264 7.286 1.00 0.00 C ATOM 0 H ILE A 451 -4.338 13.537 5.135 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.578 12.707 7.990 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.665 13.002 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.900 14.071 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.555 13.783 8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.165 11.638 7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.806 10.689 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.794 11.212 8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.486 16.091 7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.072 15.167 7.354 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.438 15.459 6.251 1.00 0.00 H new ATOM 576 N ASP A 452 -4.271 10.325 7.441 1.00 0.00 N ATOM 577 CA ASP A 452 -3.830 8.971 7.148 1.00 0.00 C ATOM 578 C ASP A 452 -5.053 8.066 6.985 1.00 0.00 C ATOM 579 O ASP A 452 -5.887 7.975 7.883 1.00 0.00 O ATOM 580 CB ASP A 452 -2.976 8.411 8.287 1.00 0.00 C ATOM 581 CG ASP A 452 -3.313 6.979 8.704 1.00 0.00 C ATOM 582 OD1 ASP A 452 -3.847 6.741 9.798 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.000 6.072 7.841 1.00 0.00 O ATOM 0 H ASP A 452 -4.480 10.502 8.424 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.237 9.000 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -1.928 8.449 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.084 9.061 9.155 1.00 0.00 H new ATOM 589 N VAL A 453 -5.119 7.418 5.831 1.00 0.00 N ATOM 590 CA VAL A 453 -6.226 6.523 5.538 1.00 0.00 C ATOM 591 C VAL A 453 -5.793 5.080 5.806 1.00 0.00 C ATOM 592 O VAL A 453 -4.600 4.784 5.850 1.00 0.00 O ATOM 593 CB VAL A 453 -6.714 6.744 4.105 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.544 7.063 3.171 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.504 5.535 3.602 1.00 0.00 C ATOM 0 H VAL A 453 -4.424 7.495 5.088 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.072 6.736 6.191 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.384 7.603 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.918 7.216 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.042 7.968 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.838 6.233 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.839 5.718 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.867 4.651 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.370 5.373 4.244 1.00 0.00 H new ATOM 605 N ASN A 454 -6.786 4.221 5.978 1.00 0.00 N ATOM 606 CA ASN A 454 -6.523 2.815 6.240 1.00 0.00 C ATOM 607 C ASN A 454 -6.630 2.027 4.932 1.00 0.00 C ATOM 608 O ASN A 454 -7.706 1.544 4.582 1.00 0.00 O ATOM 609 CB ASN A 454 -7.543 2.239 7.225 1.00 0.00 C ATOM 610 CG ASN A 454 -7.268 0.757 7.493 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.448 0.124 6.847 1.00 0.00 O ATOM 612 ND2 ASN A 454 -7.997 0.241 8.478 1.00 0.00 N ATOM 0 H ASN A 454 -7.774 4.470 5.941 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.523 2.732 6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.504 2.795 8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.549 2.359 6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -7.888 -0.740 8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.666 0.827 8.978 1.00 0.00 H new ATOM 619 N GLU A 455 -5.501 1.926 4.246 1.00 0.00 N ATOM 620 CA GLU A 455 -5.455 1.205 2.986 1.00 0.00 C ATOM 621 C GLU A 455 -5.873 -0.252 3.190 1.00 0.00 C ATOM 622 O GLU A 455 -6.164 -0.959 2.227 1.00 0.00 O ATOM 623 CB GLU A 455 -4.064 1.292 2.355 1.00 0.00 C ATOM 624 CG GLU A 455 -3.006 0.679 3.274 1.00 0.00 C ATOM 625 CD GLU A 455 -2.432 1.727 4.228 1.00 0.00 C ATOM 626 OE1 GLU A 455 -2.443 1.524 5.452 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.961 2.784 3.659 1.00 0.00 O ATOM 0 H GLU A 455 -4.612 2.331 4.539 1.00 0.00 H new ATOM 0 HA GLU A 455 -6.161 1.671 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -4.063 0.773 1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.816 2.334 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.446 -0.137 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -2.203 0.250 2.674 1.00 0.00 H new ATOM 635 N CYS A 456 -5.890 -0.657 4.451 1.00 0.00 N ATOM 636 CA CYS A 456 -6.268 -2.017 4.795 1.00 0.00 C ATOM 637 C CYS A 456 -7.788 -2.140 4.672 1.00 0.00 C ATOM 638 O CYS A 456 -8.346 -3.216 4.877 1.00 0.00 O ATOM 639 CB CYS A 456 -5.776 -2.406 6.190 1.00 0.00 C ATOM 640 SG CYS A 456 -7.100 -2.744 7.407 1.00 0.00 S ATOM 0 H CYS A 456 -5.648 -0.067 5.247 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.791 -2.714 4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.147 -3.292 6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -5.146 -1.604 6.574 1.00 0.00 H new ATOM 645 N VAL A 457 -8.415 -1.020 4.339 1.00 0.00 N ATOM 646 CA VAL A 457 -9.859 -0.988 4.186 1.00 0.00 C ATOM 647 C VAL A 457 -10.242 -1.652 2.861 1.00 0.00 C ATOM 648 O VAL A 457 -11.349 -2.169 2.720 1.00 0.00 O ATOM 649 CB VAL A 457 -10.366 0.450 4.303 1.00 0.00 C ATOM 650 CG1 VAL A 457 -9.994 1.054 5.659 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.837 1.313 3.155 1.00 0.00 C ATOM 0 H VAL A 457 -7.949 -0.129 4.171 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.340 -1.553 4.984 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.454 0.428 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.366 2.077 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.441 0.460 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -8.910 1.056 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.212 2.331 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.747 1.324 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.174 0.900 2.204 1.00 0.00 H new ATOM 661 N SER A 458 -9.306 -1.613 1.924 1.00 0.00 N ATOM 662 CA SER A 458 -9.532 -2.204 0.617 1.00 0.00 C ATOM 663 C SER A 458 -8.503 -3.306 0.355 1.00 0.00 C ATOM 664 O SER A 458 -8.525 -3.944 -0.698 1.00 0.00 O ATOM 665 CB SER A 458 -9.467 -1.144 -0.485 1.00 0.00 C ATOM 666 OG SER A 458 -10.500 -0.171 -0.352 1.00 0.00 O ATOM 0 H SER A 458 -8.390 -1.181 2.044 1.00 0.00 H new ATOM 0 HA SER A 458 -10.531 -2.640 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 458 -8.496 -0.649 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 458 -9.548 -1.628 -1.458 1.00 0.00 H new ATOM 0 HG SER A 458 -10.423 0.488 -1.073 1.00 0.00 H new ATOM 672 N ASN A 459 -7.627 -3.496 1.330 1.00 0.00 N ATOM 673 CA ASN A 459 -6.591 -4.510 1.218 1.00 0.00 C ATOM 674 C ASN A 459 -6.226 -5.016 2.616 1.00 0.00 C ATOM 675 O ASN A 459 -5.070 -4.929 3.028 1.00 0.00 O ATOM 676 CB ASN A 459 -5.326 -3.936 0.577 1.00 0.00 C ATOM 677 CG ASN A 459 -5.676 -2.931 -0.523 1.00 0.00 C ATOM 678 OD1 ASN A 459 -6.275 -1.831 -0.078 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -5.418 -3.142 -1.696 1.00 0.00 N flip ATOM 0 H ASN A 459 -7.613 -2.966 2.201 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.975 -5.318 0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.717 -3.449 1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.727 -4.745 0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -4.956 -4.010 -1.968 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -5.664 -2.451 -2.405 1.00 0.00 H new ATOM 686 N PRO A 460 -7.260 -5.546 3.323 1.00 0.00 N ATOM 687 CA PRO A 460 -7.058 -6.065 4.665 1.00 0.00 C ATOM 688 C PRO A 460 -6.344 -7.418 4.628 1.00 0.00 C ATOM 689 O PRO A 460 -6.030 -7.986 5.673 1.00 0.00 O ATOM 690 CB PRO A 460 -8.451 -6.145 5.268 1.00 0.00 C ATOM 691 CG PRO A 460 -9.417 -6.110 4.094 1.00 0.00 C ATOM 692 CD PRO A 460 -8.641 -5.664 2.866 1.00 0.00 C ATOM 0 HA PRO A 460 -6.412 -5.429 5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.574 -7.060 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.631 -5.311 5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.856 -7.094 3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.239 -5.424 4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.730 -6.389 2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.015 -4.714 2.485 1.00 0.00 H new ATOM 700 N CYS A 461 -6.108 -7.893 3.415 1.00 0.00 N ATOM 701 CA CYS A 461 -5.437 -9.169 3.228 1.00 0.00 C ATOM 702 C CYS A 461 -6.396 -10.282 3.650 1.00 0.00 C ATOM 703 O CYS A 461 -5.967 -11.399 3.940 1.00 0.00 O ATOM 704 CB CYS A 461 -4.116 -9.229 3.997 1.00 0.00 C ATOM 705 SG CYS A 461 -2.681 -8.508 3.119 1.00 0.00 S ATOM 0 H CYS A 461 -6.369 -7.418 2.551 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.176 -9.297 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.241 -8.709 4.947 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -3.895 -10.271 4.230 1.00 0.00 H new ATOM 710 N GLN A 462 -7.676 -9.941 3.673 1.00 0.00 N ATOM 711 CA GLN A 462 -8.699 -10.900 4.056 1.00 0.00 C ATOM 712 C GLN A 462 -8.815 -10.972 5.580 1.00 0.00 C ATOM 713 O GLN A 462 -8.477 -10.017 6.278 1.00 0.00 O ATOM 714 CB GLN A 462 -8.409 -12.278 3.461 1.00 0.00 C ATOM 715 CG GLN A 462 -9.654 -12.859 2.788 1.00 0.00 C ATOM 716 CD GLN A 462 -9.412 -14.301 2.337 1.00 0.00 C ATOM 717 OE1 GLN A 462 -10.210 -15.194 2.574 1.00 0.00 O ATOM 718 NE2 GLN A 462 -8.270 -14.477 1.679 1.00 0.00 N ATOM 0 H GLN A 462 -8.028 -9.014 3.433 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.655 -10.563 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -7.601 -12.201 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.068 -12.952 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.495 -12.827 3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -9.926 -12.246 1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -7.648 -13.685 1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -8.016 -15.404 1.338 1.00 0.00 H new ATOM 727 N ASN A 463 -9.295 -12.113 6.051 1.00 0.00 N ATOM 728 CA ASN A 463 -9.460 -12.323 7.479 1.00 0.00 C ATOM 729 C ASN A 463 -8.323 -13.208 7.994 1.00 0.00 C ATOM 730 O ASN A 463 -7.953 -13.129 9.166 1.00 0.00 O ATOM 731 CB ASN A 463 -10.783 -13.029 7.783 1.00 0.00 C ATOM 732 CG ASN A 463 -11.245 -13.866 6.588 1.00 0.00 C ATOM 733 OD1 ASN A 463 -10.432 -14.875 6.290 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -12.271 -13.613 5.980 1.00 0.00 N flip ATOM 0 H ASN A 463 -9.575 -12.902 5.469 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.451 -11.348 7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.665 -13.670 8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.545 -12.290 8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -12.849 -12.822 6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.551 -14.192 5.189 1.00 0.00 H new ATOM 741 N ASP A 464 -7.800 -14.028 7.096 1.00 0.00 N ATOM 742 CA ASP A 464 -6.712 -14.926 7.446 1.00 0.00 C ATOM 743 C ASP A 464 -5.455 -14.107 7.745 1.00 0.00 C ATOM 744 O ASP A 464 -4.464 -14.642 8.239 1.00 0.00 O ATOM 745 CB ASP A 464 -6.393 -15.879 6.292 1.00 0.00 C ATOM 746 CG ASP A 464 -6.651 -17.359 6.585 1.00 0.00 C ATOM 747 OD1 ASP A 464 -7.442 -18.018 5.894 1.00 0.00 O ATOM 748 OD2 ASP A 464 -5.989 -17.840 7.582 1.00 0.00 O ATOM 0 H ASP A 464 -8.109 -14.090 6.126 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.019 -15.504 8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -6.986 -15.587 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -5.345 -15.756 6.018 1.00 0.00 H new ATOM 754 N ALA A 465 -5.538 -12.823 7.433 1.00 0.00 N ATOM 755 CA ALA A 465 -4.419 -11.923 7.661 1.00 0.00 C ATOM 756 C ALA A 465 -4.874 -10.768 8.556 1.00 0.00 C ATOM 757 O ALA A 465 -5.835 -10.072 8.236 1.00 0.00 O ATOM 758 CB ALA A 465 -3.870 -11.439 6.319 1.00 0.00 C ATOM 0 H ALA A 465 -6.363 -12.383 7.024 1.00 0.00 H new ATOM 0 HA ALA A 465 -3.609 -12.440 8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.031 -10.764 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.533 -12.295 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.653 -10.912 5.774 1.00 0.00 H new ATOM 764 N THR A 466 -4.161 -10.599 9.659 1.00 0.00 N ATOM 765 CA THR A 466 -4.479 -9.541 10.602 1.00 0.00 C ATOM 766 C THR A 466 -4.063 -8.181 10.038 1.00 0.00 C ATOM 767 O THR A 466 -2.873 -7.888 9.927 1.00 0.00 O ATOM 768 CB THR A 466 -3.807 -9.876 11.935 1.00 0.00 C ATOM 769 OG1 THR A 466 -4.731 -10.746 12.581 1.00 0.00 O ATOM 770 CG2 THR A 466 -3.716 -8.666 12.866 1.00 0.00 C ATOM 0 H THR A 466 -3.363 -11.178 9.921 1.00 0.00 H new ATOM 0 HA THR A 466 -5.554 -9.473 10.771 1.00 0.00 H new ATOM 0 HB THR A 466 -2.806 -10.265 11.749 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.373 -11.014 13.453 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.231 -8.959 13.797 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.134 -7.880 12.385 1.00 0.00 H new ATOM 0 HG23 THR A 466 -4.718 -8.295 13.080 1.00 0.00 H new ATOM 778 N CYS A 467 -5.067 -7.387 9.694 1.00 0.00 N ATOM 779 CA CYS A 467 -4.821 -6.066 9.143 1.00 0.00 C ATOM 780 C CYS A 467 -4.071 -5.240 10.191 1.00 0.00 C ATOM 781 O CYS A 467 -4.259 -5.436 11.392 1.00 0.00 O ATOM 782 CB CYS A 467 -6.118 -5.385 8.702 1.00 0.00 C ATOM 783 SG CYS A 467 -6.141 -3.568 8.908 1.00 0.00 S ATOM 0 H CYS A 467 -6.052 -7.634 9.787 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.210 -6.153 8.244 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.296 -5.620 7.653 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -6.946 -5.811 9.269 1.00 0.00 H new ATOM 788 N LEU A 468 -3.239 -4.334 9.700 1.00 0.00 N ATOM 789 CA LEU A 468 -2.461 -3.477 10.579 1.00 0.00 C ATOM 790 C LEU A 468 -2.108 -2.184 9.843 1.00 0.00 C ATOM 791 O LEU A 468 -0.992 -2.033 9.348 1.00 0.00 O ATOM 792 CB LEU A 468 -1.244 -4.230 11.120 1.00 0.00 C ATOM 793 CG LEU A 468 -1.428 -4.921 12.472 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.082 -5.348 13.059 1.00 0.00 C ATOM 795 CD2 LEU A 468 -2.219 -4.034 13.437 1.00 0.00 C ATOM 0 H LEU A 468 -3.086 -4.174 8.704 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.047 -3.195 11.454 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.952 -4.982 10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.415 -3.527 11.204 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.012 -5.828 12.315 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.243 -5.836 14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 468 0.409 -6.042 12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 468 0.549 -4.470 13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -2.336 -4.548 14.391 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.683 -3.098 13.593 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.202 -3.824 13.015 1.00 0.00 H new ATOM 807 N ASP A 469 -3.079 -1.284 9.792 1.00 0.00 N ATOM 808 CA ASP A 469 -2.884 -0.008 9.125 1.00 0.00 C ATOM 809 C ASP A 469 -1.821 0.797 9.873 1.00 0.00 C ATOM 810 O ASP A 469 -1.725 0.718 11.097 1.00 0.00 O ATOM 811 CB ASP A 469 -4.177 0.810 9.113 1.00 0.00 C ATOM 812 CG ASP A 469 -3.983 2.323 8.993 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.544 3.103 9.777 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.208 2.699 8.032 1.00 0.00 O ATOM 0 H ASP A 469 -4.004 -1.413 10.202 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.574 -0.208 8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -4.796 0.471 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.730 0.601 10.029 1.00 0.00 H new ATOM 820 N GLN A 470 -1.049 1.555 9.108 1.00 0.00 N ATOM 821 CA GLN A 470 0.003 2.374 9.684 1.00 0.00 C ATOM 822 C GLN A 470 0.244 3.614 8.819 1.00 0.00 C ATOM 823 O GLN A 470 -0.572 3.944 7.960 1.00 0.00 O ATOM 824 CB GLN A 470 1.291 1.569 9.858 1.00 0.00 C ATOM 825 CG GLN A 470 1.234 0.262 9.065 1.00 0.00 C ATOM 826 CD GLN A 470 1.985 -0.855 9.792 1.00 0.00 C ATOM 827 OE1 GLN A 470 1.291 -1.425 10.772 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 3.120 -1.177 9.483 1.00 0.00 N flip ATOM 0 H GLN A 470 -1.132 1.619 8.093 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.318 2.701 10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 470 2.143 2.163 9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.447 1.351 10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 470 0.195 -0.031 8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 470 1.668 0.413 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 470 3.596 -0.697 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.593 -1.926 9.988 1.00 0.00 H new ATOM 837 N ILE A 471 1.368 4.266 9.077 1.00 0.00 N ATOM 838 CA ILE A 471 1.726 5.461 8.334 1.00 0.00 C ATOM 839 C ILE A 471 1.662 5.162 6.834 1.00 0.00 C ATOM 840 O ILE A 471 2.429 4.344 6.327 1.00 0.00 O ATOM 841 CB ILE A 471 3.084 5.994 8.797 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.996 4.852 9.250 1.00 0.00 C ATOM 843 CG2 ILE A 471 2.914 7.057 9.884 1.00 0.00 C ATOM 844 CD1 ILE A 471 4.067 3.754 8.187 1.00 0.00 C ATOM 0 H ILE A 471 2.042 3.989 9.790 1.00 0.00 H new ATOM 0 HA ILE A 471 1.012 6.260 8.532 1.00 0.00 H new ATOM 0 HB ILE A 471 3.569 6.476 7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.996 5.237 9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 471 3.624 4.434 10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 471 3.894 7.419 10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 471 2.328 7.888 9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 471 2.399 6.622 10.741 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.721 2.954 8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.069 3.355 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.462 4.170 7.260 1.00 0.00 H new ATOM 856 N GLY A 472 0.741 5.841 6.166 1.00 0.00 N ATOM 857 CA GLY A 472 0.568 5.659 4.736 1.00 0.00 C ATOM 858 C GLY A 472 1.028 4.266 4.301 1.00 0.00 C ATOM 859 O GLY A 472 1.659 4.115 3.255 1.00 0.00 O ATOM 0 H GLY A 472 0.107 6.518 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.480 5.799 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.136 6.418 4.198 1.00 0.00 H new ATOM 863 N GLU A 473 0.696 3.284 5.124 1.00 0.00 N ATOM 864 CA GLU A 473 1.068 1.908 4.839 1.00 0.00 C ATOM 865 C GLU A 473 0.369 0.956 5.812 1.00 0.00 C ATOM 866 O GLU A 473 0.015 1.347 6.923 1.00 0.00 O ATOM 867 CB GLU A 473 2.587 1.729 4.891 1.00 0.00 C ATOM 868 CG GLU A 473 3.064 1.514 6.329 1.00 0.00 C ATOM 869 CD GLU A 473 3.396 0.042 6.581 1.00 0.00 C ATOM 870 OE1 GLU A 473 2.782 -0.846 5.971 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.331 -0.166 7.446 1.00 0.00 O ATOM 0 H GLU A 473 0.173 3.413 5.990 1.00 0.00 H new ATOM 0 HA GLU A 473 0.741 1.666 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.878 0.877 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.075 2.608 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.945 2.127 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.292 1.841 7.025 1.00 0.00 H new ATOM 879 N PHE A 474 0.192 -0.276 5.359 1.00 0.00 N ATOM 880 CA PHE A 474 -0.458 -1.287 6.174 1.00 0.00 C ATOM 881 C PHE A 474 0.259 -2.634 6.053 1.00 0.00 C ATOM 882 O PHE A 474 0.988 -2.869 5.091 1.00 0.00 O ATOM 883 CB PHE A 474 -1.887 -1.434 5.651 1.00 0.00 C ATOM 884 CG PHE A 474 -2.127 -2.716 4.849 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.235 -3.909 5.492 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.233 -2.661 3.494 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.457 -5.099 4.748 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.456 -3.849 2.751 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.564 -5.044 3.393 1.00 0.00 C ATOM 0 H PHE A 474 0.488 -0.597 4.437 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.438 -0.988 7.222 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.576 -1.411 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.123 -0.575 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -2.152 -3.952 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -2.147 -1.713 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.541 -6.047 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.540 -3.805 1.675 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.735 -5.948 2.827 1.00 0.00 H new ATOM 899 N GLN A 475 0.026 -3.484 7.042 1.00 0.00 N ATOM 900 CA GLN A 475 0.640 -4.801 7.059 1.00 0.00 C ATOM 901 C GLN A 475 -0.386 -5.860 7.469 1.00 0.00 C ATOM 902 O GLN A 475 -1.331 -5.563 8.200 1.00 0.00 O ATOM 903 CB GLN A 475 1.856 -4.827 7.986 1.00 0.00 C ATOM 904 CG GLN A 475 1.440 -5.106 9.431 1.00 0.00 C ATOM 905 CD GLN A 475 2.664 -5.234 10.339 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.426 -4.300 10.533 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.813 -6.439 10.882 1.00 0.00 N ATOM 0 H GLN A 475 -0.580 -3.286 7.838 1.00 0.00 H new ATOM 0 HA GLN A 475 0.988 -5.031 6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.556 -5.593 7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.379 -3.872 7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.799 -4.301 9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.854 -6.024 9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.139 -7.177 10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 475 3.601 -6.625 11.502 1.00 0.00 H new ATOM 916 N CYS A 476 -0.164 -7.072 6.984 1.00 0.00 N ATOM 917 CA CYS A 476 -1.057 -8.176 7.293 1.00 0.00 C ATOM 918 C CYS A 476 -0.212 -9.359 7.768 1.00 0.00 C ATOM 919 O CYS A 476 0.556 -9.929 6.994 1.00 0.00 O ATOM 920 CB CYS A 476 -1.934 -8.545 6.094 1.00 0.00 C ATOM 921 SG CYS A 476 -1.079 -8.509 4.478 1.00 0.00 S ATOM 0 H CYS A 476 0.621 -7.314 6.379 1.00 0.00 H new ATOM 0 HA CYS A 476 -1.744 -7.881 8.086 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.340 -9.544 6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -2.781 -7.860 6.057 1.00 0.00 H new ATOM 926 N ILE A 477 -0.380 -9.694 9.038 1.00 0.00 N ATOM 927 CA ILE A 477 0.358 -10.799 9.625 1.00 0.00 C ATOM 928 C ILE A 477 -0.115 -12.113 9.000 1.00 0.00 C ATOM 929 O ILE A 477 -1.183 -12.167 8.393 1.00 0.00 O ATOM 930 CB ILE A 477 0.244 -10.769 11.152 1.00 0.00 C ATOM 931 CG1 ILE A 477 1.079 -9.630 11.741 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.616 -12.124 11.756 1.00 0.00 C ATOM 933 CD1 ILE A 477 0.322 -8.919 12.864 1.00 0.00 C ATOM 0 H ILE A 477 -1.017 -9.219 9.678 1.00 0.00 H new ATOM 0 HA ILE A 477 1.421 -10.705 9.405 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.796 -10.575 11.414 1.00 0.00 H new ATOM 0 HG12 ILE A 477 2.020 -10.025 12.125 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.330 -8.915 10.957 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.527 -12.075 12.841 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -0.056 -12.891 11.371 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.643 -12.373 11.487 1.00 0.00 H new ATOM 0 HD11 ILE A 477 0.938 -8.114 13.265 1.00 0.00 H new ATOM 0 HD12 ILE A 477 -0.606 -8.504 12.471 1.00 0.00 H new ATOM 0 HD13 ILE A 477 0.094 -9.631 13.657 1.00 0.00 H new ATOM 945 N CYS A 478 0.704 -13.140 9.170 1.00 0.00 N ATOM 946 CA CYS A 478 0.383 -14.449 8.629 1.00 0.00 C ATOM 947 C CYS A 478 0.321 -15.447 9.788 1.00 0.00 C ATOM 948 O CYS A 478 0.995 -15.268 10.803 1.00 0.00 O ATOM 949 CB CYS A 478 1.386 -14.882 7.559 1.00 0.00 C ATOM 950 SG CYS A 478 0.706 -15.992 6.271 1.00 0.00 S ATOM 0 H CYS A 478 1.589 -13.092 9.675 1.00 0.00 H new ATOM 0 HA CYS A 478 -0.586 -14.410 8.131 1.00 0.00 H new ATOM 0 HB2 CYS A 478 1.787 -13.991 7.076 1.00 0.00 H new ATOM 0 HB3 CYS A 478 2.222 -15.384 8.047 1.00 0.00 H new ATOM 955 N MET A 479 -0.493 -16.474 9.601 1.00 0.00 N ATOM 956 CA MET A 479 -0.652 -17.499 10.619 1.00 0.00 C ATOM 957 C MET A 479 0.190 -18.735 10.289 1.00 0.00 C ATOM 958 O MET A 479 0.432 -19.031 9.120 1.00 0.00 O ATOM 959 CB MET A 479 -2.124 -17.897 10.718 1.00 0.00 C ATOM 960 CG MET A 479 -2.994 -16.695 11.087 1.00 0.00 C ATOM 961 SD MET A 479 -3.286 -16.669 12.848 1.00 0.00 S ATOM 962 CE MET A 479 -4.883 -15.873 12.887 1.00 0.00 C ATOM 0 H MET A 479 -1.050 -16.619 8.759 1.00 0.00 H new ATOM 0 HA MET A 479 -0.312 -17.094 11.572 1.00 0.00 H new ATOM 0 HB2 MET A 479 -2.457 -18.313 9.767 1.00 0.00 H new ATOM 0 HB3 MET A 479 -2.243 -18.680 11.467 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.503 -15.772 10.778 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.943 -16.745 10.554 1.00 0.00 H new ATOM 0 HE1 MET A 479 -5.216 -15.777 13.920 1.00 0.00 H new ATOM 0 HE2 MET A 479 -4.807 -14.883 12.436 1.00 0.00 H new ATOM 0 HE3 MET A 479 -5.602 -16.472 12.328 1.00 0.00 H new ATOM 972 N PRO A 480 0.625 -19.440 11.367 1.00 0.00 N ATOM 973 CA PRO A 480 1.434 -20.635 11.204 1.00 0.00 C ATOM 974 C PRO A 480 0.581 -21.815 10.734 1.00 0.00 C ATOM 975 O PRO A 480 0.369 -22.769 11.481 1.00 0.00 O ATOM 976 CB PRO A 480 2.071 -20.867 12.564 1.00 0.00 C ATOM 977 CG PRO A 480 1.237 -20.072 13.556 1.00 0.00 C ATOM 978 CD PRO A 480 0.358 -19.117 12.766 1.00 0.00 C ATOM 0 HA PRO A 480 2.198 -20.524 10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 480 2.075 -21.927 12.818 1.00 0.00 H new ATOM 0 HB3 PRO A 480 3.109 -20.534 12.571 1.00 0.00 H new ATOM 0 HG2 PRO A 480 0.626 -20.740 14.163 1.00 0.00 H new ATOM 0 HG3 PRO A 480 1.881 -19.520 14.240 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -0.695 -19.254 13.010 1.00 0.00 H new ATOM 0 HD3 PRO A 480 0.604 -18.078 12.987 1.00 0.00 H new ATOM 986 N GLY A 481 0.114 -21.710 9.498 1.00 0.00 N ATOM 987 CA GLY A 481 -0.711 -22.757 8.919 1.00 0.00 C ATOM 988 C GLY A 481 -0.868 -22.561 7.410 1.00 0.00 C ATOM 989 O GLY A 481 -0.817 -23.524 6.646 1.00 0.00 O ATOM 0 H GLY A 481 0.291 -20.917 8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 481 -0.262 -23.730 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -1.692 -22.756 9.393 1.00 0.00 H new ATOM 993 N TYR A 482 -1.054 -21.306 7.025 1.00 0.00 N ATOM 994 CA TYR A 482 -1.217 -20.971 5.620 1.00 0.00 C ATOM 995 C TYR A 482 -0.271 -19.840 5.212 1.00 0.00 C ATOM 996 O TYR A 482 0.365 -19.222 6.064 1.00 0.00 O ATOM 997 CB TYR A 482 -2.662 -20.492 5.467 1.00 0.00 C ATOM 998 CG TYR A 482 -3.709 -21.574 5.739 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.959 -21.982 7.034 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -4.403 -22.142 4.691 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -4.944 -22.999 7.290 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -5.388 -23.160 4.947 1.00 0.00 C ATOM 1003 CZ TYR A 482 -5.611 -23.539 6.234 1.00 0.00 C ATOM 1004 OH TYR A 482 -6.541 -24.501 6.476 1.00 0.00 O ATOM 0 H TYR A 482 -1.095 -20.510 7.661 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.993 -21.833 4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.831 -19.658 6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.802 -20.111 4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -3.415 -21.538 7.855 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -4.207 -21.823 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -5.150 -23.327 8.298 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -5.938 -23.613 4.135 1.00 0.00 H new ATOM 0 HH TYR A 482 -6.937 -24.793 5.629 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.208 -19.605 3.910 1.00 0.00 N ATOM 1015 CA GLU A 483 0.649 -18.559 3.380 1.00 0.00 C ATOM 1016 C GLU A 483 -0.003 -17.907 2.158 1.00 0.00 C ATOM 1017 O GLU A 483 -1.105 -18.285 1.763 1.00 0.00 O ATOM 1018 CB GLU A 483 2.034 -19.109 3.034 1.00 0.00 C ATOM 1019 CG GLU A 483 3.108 -18.031 3.196 1.00 0.00 C ATOM 1020 CD GLU A 483 4.305 -18.567 3.986 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.638 -19.756 3.876 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.898 -17.697 4.732 1.00 0.00 O ATOM 0 H GLU A 483 -0.736 -20.121 3.207 1.00 0.00 H new ATOM 0 HA GLU A 483 0.778 -17.797 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.264 -19.957 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 483 2.037 -19.479 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 483 3.438 -17.690 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 483 2.687 -17.166 3.709 1.00 0.00 H new ATOM 1030 N GLY A 484 0.705 -16.938 1.597 1.00 0.00 N ATOM 1031 CA GLY A 484 0.208 -16.229 0.429 1.00 0.00 C ATOM 1032 C GLY A 484 0.102 -14.727 0.702 1.00 0.00 C ATOM 1033 O GLY A 484 0.507 -14.257 1.765 1.00 0.00 O ATOM 0 H GLY A 484 1.618 -16.627 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.874 -16.402 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.770 -16.621 0.150 1.00 0.00 H new ATOM 1037 N VAL A 485 -0.443 -14.017 -0.273 1.00 0.00 N ATOM 1038 CA VAL A 485 -0.607 -12.579 -0.151 1.00 0.00 C ATOM 1039 C VAL A 485 -1.687 -12.281 0.891 1.00 0.00 C ATOM 1040 O VAL A 485 -1.622 -11.267 1.585 1.00 0.00 O ATOM 1041 CB VAL A 485 -0.914 -11.969 -1.520 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -2.393 -11.597 -1.635 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -0.021 -10.757 -1.792 1.00 0.00 C ATOM 0 H VAL A 485 -0.777 -14.411 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 485 0.317 -12.117 0.196 1.00 0.00 H new ATOM 0 HB VAL A 485 -0.698 -12.721 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -2.584 -11.166 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -3.004 -12.490 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -2.646 -10.870 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -0.259 -10.342 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -0.191 -10.000 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 485 1.025 -11.064 -1.773 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.656 -13.181 0.969 1.00 0.00 N ATOM 1054 CA HIS A 486 -3.747 -13.028 1.914 1.00 0.00 C ATOM 1055 C HIS A 486 -3.599 -14.049 3.042 1.00 0.00 C ATOM 1056 O HIS A 486 -4.315 -13.989 4.039 1.00 0.00 O ATOM 1057 CB HIS A 486 -5.099 -13.122 1.204 1.00 0.00 C ATOM 1058 CG HIS A 486 -5.219 -12.229 -0.008 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -4.702 -10.993 -0.259 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -5.942 -12.586 -1.133 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -5.087 -10.615 -1.472 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -5.856 -11.602 -2.016 1.00 0.00 N flip ATOM 0 H HIS A 486 -2.707 -14.020 0.392 1.00 0.00 H new ATOM 0 HA HIS A 486 -3.705 -12.035 2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.267 -14.155 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -5.888 -12.866 1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -6.484 -13.510 -1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -4.833 -9.680 -1.950 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -6.288 -11.585 -2.940 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.661 -14.965 2.848 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.408 -16.001 3.835 1.00 0.00 C ATOM 1072 C CYS A 487 -3.647 -16.894 3.923 1.00 0.00 C ATOM 1073 O CYS A 487 -4.005 -17.360 5.004 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.036 -15.406 5.194 1.00 0.00 C ATOM 1075 SG CYS A 487 -0.425 -14.537 5.237 1.00 0.00 S ATOM 0 H CYS A 487 -2.066 -15.011 2.021 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.551 -16.600 3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -2.817 -14.708 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.021 -16.207 5.933 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.269 -17.106 2.772 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.459 -17.934 2.706 1.00 0.00 C ATOM 1082 C GLU A 488 -5.170 -19.218 1.926 1.00 0.00 C ATOM 1083 O GLU A 488 -6.032 -20.091 1.818 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.628 -17.167 2.084 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.956 -17.879 2.350 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.616 -17.350 3.624 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.492 -16.156 3.938 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.279 -18.226 4.300 1.00 0.00 O ATOM 0 H GLU A 488 -3.970 -16.718 1.878 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.745 -18.205 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.664 -16.158 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.473 -17.069 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -8.626 -17.735 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -7.785 -18.952 2.443 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.955 -19.296 1.404 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.541 -20.458 0.638 1.00 0.00 C ATOM 1098 C VAL A 489 -2.771 -21.416 1.549 1.00 0.00 C ATOM 1099 O VAL A 489 -1.792 -21.024 2.182 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.735 -20.019 -0.585 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.848 -18.508 -0.803 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -1.272 -20.448 -0.461 1.00 0.00 C ATOM 0 H VAL A 489 -3.243 -18.572 1.497 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.411 -20.996 0.261 1.00 0.00 H new ATOM 0 HB VAL A 489 -3.156 -20.516 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.266 -18.222 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -3.893 -18.240 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.466 -17.984 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -0.722 -20.123 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -0.834 -19.993 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -1.217 -21.533 -0.378 1.00 0.00 H new ATOM 1112 N ASN A 490 -3.243 -22.654 1.588 1.00 0.00 N ATOM 1113 CA ASN A 490 -2.611 -23.671 2.411 1.00 0.00 C ATOM 1114 C ASN A 490 -1.180 -23.902 1.918 1.00 0.00 C ATOM 1115 O ASN A 490 -0.905 -23.792 0.724 1.00 0.00 O ATOM 1116 CB ASN A 490 -3.363 -25.000 2.320 1.00 0.00 C ATOM 1117 CG ASN A 490 -4.374 -24.979 1.172 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -4.208 -25.627 0.152 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -5.430 -24.200 1.395 1.00 0.00 N ATOM 0 H ASN A 490 -4.056 -22.975 1.063 1.00 0.00 H new ATOM 0 HA ASN A 490 -2.620 -23.323 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -2.654 -25.814 2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -3.879 -25.196 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -6.162 -24.119 0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -5.507 -23.684 2.272 1.00 0.00 H new ATOM 1126 N THR A 491 -0.307 -24.219 2.863 1.00 0.00 N ATOM 1127 CA THR A 491 1.088 -24.467 2.541 1.00 0.00 C ATOM 1128 C THR A 491 1.198 -25.452 1.375 1.00 0.00 C ATOM 1129 O THR A 491 0.189 -25.844 0.790 1.00 0.00 O ATOM 1130 CB THR A 491 1.788 -24.951 3.813 1.00 0.00 C ATOM 1131 OG1 THR A 491 3.173 -24.910 3.482 1.00 0.00 O ATOM 1132 CG2 THR A 491 1.517 -26.428 4.106 1.00 0.00 C ATOM 0 H THR A 491 -0.539 -24.310 3.852 1.00 0.00 H new ATOM 0 HA THR A 491 1.585 -23.557 2.206 1.00 0.00 H new ATOM 0 HB THR A 491 1.460 -24.348 4.660 1.00 0.00 H new ATOM 0 HG1 THR A 491 3.702 -25.207 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 491 2.037 -26.719 5.019 1.00 0.00 H new ATOM 0 HG22 THR A 491 0.446 -26.583 4.234 1.00 0.00 H new ATOM 0 HG23 THR A 491 1.875 -27.035 3.275 1.00 0.00 H new ATOM 1140 N ASP A 492 2.434 -25.825 1.072 1.00 0.00 N ATOM 1141 CA ASP A 492 2.688 -26.756 -0.013 1.00 0.00 C ATOM 1142 C ASP A 492 2.171 -28.143 0.376 1.00 0.00 C ATOM 1143 O ASP A 492 1.938 -28.414 1.554 1.00 0.00 O ATOM 1144 CB ASP A 492 4.187 -26.875 -0.297 1.00 0.00 C ATOM 1145 CG ASP A 492 4.546 -27.637 -1.574 1.00 0.00 C ATOM 1146 OD1 ASP A 492 3.915 -27.454 -2.625 1.00 0.00 O ATOM 1147 OD2 ASP A 492 5.533 -28.460 -1.458 1.00 0.00 O ATOM 0 H ASP A 492 3.269 -25.499 1.559 1.00 0.00 H new ATOM 0 HA ASP A 492 2.179 -26.382 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 492 4.610 -25.872 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 492 4.663 -27.370 0.549 1.00 0.00 H new ATOM 1153 N GLU A 493 2.005 -28.984 -0.634 1.00 0.00 N ATOM 1154 CA GLU A 493 1.519 -30.335 -0.411 1.00 0.00 C ATOM 1155 C GLU A 493 2.381 -31.342 -1.176 1.00 0.00 C ATOM 1156 O GLU A 493 1.936 -32.451 -1.465 1.00 0.00 O ATOM 1157 CB GLU A 493 0.046 -30.459 -0.807 1.00 0.00 C ATOM 1158 CG GLU A 493 -0.843 -30.613 0.428 1.00 0.00 C ATOM 1159 CD GLU A 493 -1.625 -29.326 0.703 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -2.716 -29.133 0.149 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -1.059 -28.511 1.527 1.00 0.00 O ATOM 0 H GLU A 493 2.198 -28.756 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 493 1.595 -30.558 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -0.258 -29.577 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -0.086 -31.318 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -1.537 -31.440 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -0.229 -30.862 1.294 1.00 0.00 H new ATOM 1169 N CYS A 494 3.598 -30.918 -1.481 1.00 0.00 N ATOM 1170 CA CYS A 494 4.526 -31.770 -2.205 1.00 0.00 C ATOM 1171 C CYS A 494 5.928 -31.168 -2.080 1.00 0.00 C ATOM 1172 O CYS A 494 6.656 -31.070 -3.067 1.00 0.00 O ATOM 1173 CB CYS A 494 4.109 -31.943 -3.668 1.00 0.00 C ATOM 1174 SG CYS A 494 3.010 -30.631 -4.314 1.00 0.00 S ATOM 0 H CYS A 494 3.963 -29.996 -1.240 1.00 0.00 H new ATOM 0 HA CYS A 494 4.520 -32.770 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 494 5.007 -31.981 -4.285 1.00 0.00 H new ATOM 0 HB3 CYS A 494 3.606 -32.904 -3.777 1.00 0.00 H new ATOM 1179 N ALA A 495 6.263 -30.782 -0.857 1.00 0.00 N ATOM 1180 CA ALA A 495 7.565 -30.194 -0.590 1.00 0.00 C ATOM 1181 C ALA A 495 8.647 -31.264 -0.754 1.00 0.00 C ATOM 1182 O ALA A 495 9.825 -30.943 -0.898 1.00 0.00 O ATOM 1183 CB ALA A 495 7.567 -29.574 0.809 1.00 0.00 C ATOM 0 H ALA A 495 5.656 -30.865 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 495 7.779 -29.397 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 495 8.543 -29.133 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 495 6.801 -28.801 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 495 7.358 -30.346 1.549 1.00 0.00 H new ATOM 1189 N SER A 496 8.207 -32.514 -0.728 1.00 0.00 N ATOM 1190 CA SER A 496 9.123 -33.632 -0.872 1.00 0.00 C ATOM 1191 C SER A 496 9.342 -33.941 -2.354 1.00 0.00 C ATOM 1192 O SER A 496 10.478 -33.961 -2.826 1.00 0.00 O ATOM 1193 CB SER A 496 8.599 -34.871 -0.144 1.00 0.00 C ATOM 1194 OG SER A 496 9.582 -35.442 0.714 1.00 0.00 O ATOM 0 H SER A 496 7.229 -32.777 -0.609 1.00 0.00 H new ATOM 0 HA SER A 496 10.075 -33.354 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 496 7.719 -34.603 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 496 8.281 -35.614 -0.876 1.00 0.00 H new ATOM 0 HG SER A 496 9.208 -36.230 1.162 1.00 0.00 H new ATOM 1200 N SER A 497 8.238 -34.175 -3.047 1.00 0.00 N ATOM 1201 CA SER A 497 8.295 -34.482 -4.467 1.00 0.00 C ATOM 1202 C SER A 497 7.718 -33.319 -5.276 1.00 0.00 C ATOM 1203 O SER A 497 6.501 -33.192 -5.407 1.00 0.00 O ATOM 1204 CB SER A 497 7.539 -35.775 -4.781 1.00 0.00 C ATOM 1205 OG SER A 497 8.425 -36.853 -5.071 1.00 0.00 O ATOM 0 H SER A 497 7.298 -34.158 -2.652 1.00 0.00 H new ATOM 0 HA SER A 497 9.339 -34.627 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 497 6.909 -36.042 -3.933 1.00 0.00 H new ATOM 0 HB3 SER A 497 6.877 -35.611 -5.631 1.00 0.00 H new ATOM 0 HG SER A 497 7.905 -37.661 -5.264 1.00 0.00 H new ATOM 1211 N PRO A 498 8.642 -32.479 -5.814 1.00 0.00 N ATOM 1212 CA PRO A 498 8.238 -31.331 -6.608 1.00 0.00 C ATOM 1213 C PRO A 498 7.772 -31.764 -7.999 1.00 0.00 C ATOM 1214 O PRO A 498 7.367 -30.931 -8.809 1.00 0.00 O ATOM 1215 CB PRO A 498 9.460 -30.428 -6.646 1.00 0.00 C ATOM 1216 CG PRO A 498 10.641 -31.310 -6.269 1.00 0.00 C ATOM 1217 CD PRO A 498 10.092 -32.598 -5.681 1.00 0.00 C ATOM 0 HA PRO A 498 7.384 -30.805 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 498 9.596 -29.996 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 498 9.354 -29.597 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 498 11.254 -31.521 -7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 498 11.281 -30.803 -5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 498 10.468 -33.470 -6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 498 10.386 -32.714 -4.638 1.00 0.00 H new ATOM 1225 N CYS A 499 7.844 -33.065 -8.234 1.00 0.00 N ATOM 1226 CA CYS A 499 7.435 -33.619 -9.513 1.00 0.00 C ATOM 1227 C CYS A 499 8.454 -33.193 -10.571 1.00 0.00 C ATOM 1228 O CYS A 499 8.111 -33.023 -11.738 1.00 0.00 O ATOM 1229 CB CYS A 499 6.014 -33.190 -9.886 1.00 0.00 C ATOM 1230 SG CYS A 499 4.725 -34.453 -9.577 1.00 0.00 S ATOM 0 H CYS A 499 8.180 -33.753 -7.560 1.00 0.00 H new ATOM 0 HA CYS A 499 7.413 -34.707 -9.449 1.00 0.00 H new ATOM 0 HB2 CYS A 499 5.762 -32.290 -9.326 1.00 0.00 H new ATOM 0 HB3 CYS A 499 5.996 -32.923 -10.943 1.00 0.00 H new ATOM 1235 N LEU A 500 9.691 -33.033 -10.123 1.00 0.00 N ATOM 1236 CA LEU A 500 10.764 -32.630 -11.015 1.00 0.00 C ATOM 1237 C LEU A 500 10.767 -33.538 -12.246 1.00 0.00 C ATOM 1238 O LEU A 500 10.832 -34.761 -12.119 1.00 0.00 O ATOM 1239 CB LEU A 500 12.101 -32.601 -10.268 1.00 0.00 C ATOM 1240 CG LEU A 500 12.993 -31.388 -10.537 1.00 0.00 C ATOM 1241 CD1 LEU A 500 13.584 -31.444 -11.948 1.00 0.00 C ATOM 1242 CD2 LEU A 500 12.236 -30.083 -10.286 1.00 0.00 C ATOM 0 H LEU A 500 9.974 -33.175 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 500 10.602 -31.612 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 500 11.898 -32.648 -9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 500 12.658 -33.501 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 500 13.827 -31.416 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 500 14.214 -30.570 -12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 500 14.182 -32.349 -12.056 1.00 0.00 H new ATOM 0 HD13 LEU A 500 12.777 -31.453 -12.680 1.00 0.00 H new ATOM 0 HD21 LEU A 500 12.894 -29.237 -10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 500 11.370 -30.032 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 500 11.904 -30.049 -9.248 1.00 0.00 H new ATOM 1254 N HIS A 501 10.696 -32.907 -13.408 1.00 0.00 N ATOM 1255 CA HIS A 501 10.689 -33.643 -14.661 1.00 0.00 C ATOM 1256 C HIS A 501 9.278 -34.159 -14.946 1.00 0.00 C ATOM 1257 O HIS A 501 8.784 -34.041 -16.066 1.00 0.00 O ATOM 1258 CB HIS A 501 11.735 -34.761 -14.640 1.00 0.00 C ATOM 1259 CG HIS A 501 11.158 -36.146 -14.802 1.00 0.00 C ATOM 1260 ND1 HIS A 501 10.344 -36.874 -13.985 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 11.404 -36.936 -15.911 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 10.105 -38.043 -14.563 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 10.763 -38.085 -15.758 1.00 0.00 N flip ATOM 0 H HIS A 501 10.643 -31.893 -13.509 1.00 0.00 H new ATOM 0 HA HIS A 501 10.967 -32.978 -15.478 1.00 0.00 H new ATOM 0 HB2 HIS A 501 12.457 -34.584 -15.437 1.00 0.00 H new ATOM 0 HB3 HIS A 501 12.282 -34.715 -13.698 1.00 0.00 H new ATOM 0 HD1 HIS A 501 9.980 -36.570 -13.082 1.00 0.00 H new ATOM 0 HD2 HIS A 501 12.015 -36.662 -16.758 1.00 0.00 H new ATOM 0 HE1 HIS A 501 9.491 -38.832 -14.155 1.00 0.00 H new ATOM 1271 N ASN A 502 8.668 -34.719 -13.912 1.00 0.00 N ATOM 1272 CA ASN A 502 7.322 -35.254 -14.037 1.00 0.00 C ATOM 1273 C ASN A 502 6.336 -34.100 -14.225 1.00 0.00 C ATOM 1274 O ASN A 502 5.223 -34.302 -14.712 1.00 0.00 O ATOM 1275 CB ASN A 502 6.915 -36.023 -12.779 1.00 0.00 C ATOM 1276 CG ASN A 502 6.853 -37.527 -13.051 1.00 0.00 C ATOM 1277 OD1 ASN A 502 7.848 -38.218 -12.504 1.00 0.00 O flip ATOM 1278 ND2 ASN A 502 5.960 -38.027 -13.715 1.00 0.00 N flip ATOM 0 H ASN A 502 9.080 -34.814 -12.984 1.00 0.00 H new ATOM 0 HA ASN A 502 7.306 -35.929 -14.893 1.00 0.00 H new ATOM 0 HB2 ASN A 502 7.629 -35.824 -11.980 1.00 0.00 H new ATOM 0 HB3 ASN A 502 5.943 -35.672 -12.433 1.00 0.00 H new ATOM 0 HD21 ASN A 502 5.225 -37.438 -14.107 1.00 0.00 H new ATOM 0 HD22 ASN A 502 5.948 -39.034 -13.878 1.00 0.00 H new ATOM 1285 N GLY A 503 6.778 -32.915 -13.829 1.00 0.00 N ATOM 1286 CA GLY A 503 5.947 -31.728 -13.947 1.00 0.00 C ATOM 1287 C GLY A 503 6.295 -30.706 -12.865 1.00 0.00 C ATOM 1288 O GLY A 503 7.429 -30.659 -12.391 1.00 0.00 O ATOM 0 H GLY A 503 7.701 -32.751 -13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 503 6.083 -31.281 -14.932 1.00 0.00 H new ATOM 0 HA3 GLY A 503 4.896 -32.006 -13.865 1.00 0.00 H new ATOM 1292 N ARG A 504 5.297 -29.912 -12.504 1.00 0.00 N ATOM 1293 CA ARG A 504 5.483 -28.891 -11.486 1.00 0.00 C ATOM 1294 C ARG A 504 4.417 -29.028 -10.396 1.00 0.00 C ATOM 1295 O ARG A 504 3.222 -29.030 -10.690 1.00 0.00 O ATOM 1296 CB ARG A 504 5.409 -27.488 -12.090 1.00 0.00 C ATOM 1297 CG ARG A 504 6.444 -26.559 -11.452 1.00 0.00 C ATOM 1298 CD ARG A 504 6.714 -25.345 -12.343 1.00 0.00 C ATOM 1299 NE ARG A 504 5.742 -24.271 -12.041 1.00 0.00 N ATOM 1300 CZ ARG A 504 5.433 -23.269 -12.892 1.00 0.00 C ATOM 1301 NH1 ARG A 504 6.016 -23.197 -14.107 1.00 0.00 N ATOM 1302 NH2 ARG A 504 4.550 -22.361 -12.518 1.00 0.00 N ATOM 0 H ARG A 504 4.357 -29.955 -12.898 1.00 0.00 H new ATOM 0 HA ARG A 504 6.472 -29.033 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 504 5.578 -27.542 -13.165 1.00 0.00 H new ATOM 0 HB3 ARG A 504 4.409 -27.078 -11.945 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.088 -26.227 -10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 504 7.372 -27.104 -11.283 1.00 0.00 H new ATOM 0 HD2 ARG A 504 7.730 -24.984 -12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 504 6.640 -25.630 -13.393 1.00 0.00 H new ATOM 0 HE ARG A 504 5.276 -24.289 -11.134 1.00 0.00 H new ATOM 0 HH11 ARG A 504 6.696 -23.903 -14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 504 5.777 -22.437 -14.743 1.00 0.00 H new ATOM 0 HH21 ARG A 504 4.113 -22.423 -11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 504 4.305 -21.598 -13.149 1.00 0.00 H new ATOM 1315 N CYS A 505 4.887 -29.139 -9.163 1.00 0.00 N ATOM 1316 CA CYS A 505 3.989 -29.275 -8.029 1.00 0.00 C ATOM 1317 C CYS A 505 3.360 -27.910 -7.748 1.00 0.00 C ATOM 1318 O CYS A 505 4.064 -26.951 -7.433 1.00 0.00 O ATOM 1319 CB CYS A 505 4.708 -29.836 -6.801 1.00 0.00 C ATOM 1320 SG CYS A 505 4.071 -29.234 -5.196 1.00 0.00 S ATOM 0 H CYS A 505 5.879 -29.138 -8.924 1.00 0.00 H new ATOM 0 HA CYS A 505 3.205 -29.993 -8.268 1.00 0.00 H new ATOM 0 HB2 CYS A 505 4.635 -30.923 -6.820 1.00 0.00 H new ATOM 0 HB3 CYS A 505 5.767 -29.587 -6.872 1.00 0.00 H new ATOM 1325 N LEU A 506 2.041 -27.864 -7.871 1.00 0.00 N ATOM 1326 CA LEU A 506 1.310 -26.630 -7.633 1.00 0.00 C ATOM 1327 C LEU A 506 0.722 -26.656 -6.220 1.00 0.00 C ATOM 1328 O LEU A 506 0.262 -27.698 -5.755 1.00 0.00 O ATOM 1329 CB LEU A 506 0.268 -26.407 -8.729 1.00 0.00 C ATOM 1330 CG LEU A 506 0.080 -24.959 -9.190 1.00 0.00 C ATOM 1331 CD1 LEU A 506 1.323 -24.450 -9.922 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -1.185 -24.814 -10.040 1.00 0.00 C ATOM 0 H LEU A 506 1.460 -28.661 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 506 1.981 -25.772 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 506 0.544 -27.010 -9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -0.692 -26.782 -8.373 1.00 0.00 H new ATOM 0 HG LEU A 506 -0.052 -24.334 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 506 1.162 -23.419 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 506 2.183 -24.494 -9.253 1.00 0.00 H new ATOM 0 HD13 LEU A 506 1.511 -25.073 -10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -1.295 -23.776 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -1.108 -25.453 -10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -2.054 -25.109 -9.452 1.00 0.00 H new ATOM 1344 N ASP A 507 0.757 -25.498 -5.579 1.00 0.00 N ATOM 1345 CA ASP A 507 0.233 -25.374 -4.229 1.00 0.00 C ATOM 1346 C ASP A 507 -1.132 -24.684 -4.278 1.00 0.00 C ATOM 1347 O ASP A 507 -1.217 -23.460 -4.187 1.00 0.00 O ATOM 1348 CB ASP A 507 1.158 -24.527 -3.354 1.00 0.00 C ATOM 1349 CG ASP A 507 0.483 -23.860 -2.154 1.00 0.00 C ATOM 1350 OD1 ASP A 507 0.520 -22.630 -2.005 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -0.108 -24.669 -1.341 1.00 0.00 O ATOM 0 H ASP A 507 1.140 -24.637 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 507 0.153 -26.375 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 507 1.968 -25.159 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 507 1.611 -23.753 -3.974 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.167 -25.499 -4.421 1.00 0.00 N ATOM 1358 CA LYS A 508 -3.523 -24.982 -4.484 1.00 0.00 C ATOM 1359 C LYS A 508 -4.071 -24.828 -3.065 1.00 0.00 C ATOM 1360 O LYS A 508 -3.504 -25.366 -2.113 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.391 -25.862 -5.386 1.00 0.00 C ATOM 1362 CG LYS A 508 -3.649 -26.226 -6.674 1.00 0.00 C ATOM 1363 CD LYS A 508 -3.645 -25.053 -7.656 1.00 0.00 C ATOM 1364 CE LYS A 508 -4.402 -25.409 -8.937 1.00 0.00 C ATOM 1365 NZ LYS A 508 -5.361 -24.337 -9.286 1.00 0.00 N ATOM 0 H LYS A 508 -2.093 -26.514 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 508 -3.532 -23.992 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.670 -26.771 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.316 -25.339 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -2.624 -26.511 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -4.122 -27.091 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -4.103 -24.181 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -2.618 -24.781 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -3.697 -25.555 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -4.933 -26.351 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -5.867 -24.594 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -6.045 -24.217 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -4.846 -23.446 -9.434 1.00 0.00 H new ATOM 1378 N ILE A 509 -5.169 -24.093 -2.964 1.00 0.00 N ATOM 1379 CA ILE A 509 -5.801 -23.862 -1.675 1.00 0.00 C ATOM 1380 C ILE A 509 -6.792 -24.991 -1.388 1.00 0.00 C ATOM 1381 O ILE A 509 -8.002 -24.775 -1.390 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.427 -22.468 -1.627 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -5.489 -21.424 -2.239 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -6.841 -22.101 -0.201 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -5.937 -21.044 -3.652 1.00 0.00 C ATOM 0 H ILE A 509 -5.638 -23.649 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 509 -5.057 -23.880 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 509 -7.334 -22.480 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -5.468 -20.535 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -4.473 -21.817 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -7.283 -21.105 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -7.571 -22.824 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.964 -22.112 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -5.253 -20.301 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -5.933 -21.931 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -6.944 -20.629 -3.615 1.00 0.00 H new ATOM 1397 N ASN A 510 -6.241 -26.173 -1.149 1.00 0.00 N ATOM 1398 CA ASN A 510 -7.062 -27.337 -0.862 1.00 0.00 C ATOM 1399 C ASN A 510 -6.260 -28.606 -1.156 1.00 0.00 C ATOM 1400 O ASN A 510 -6.520 -29.659 -0.574 1.00 0.00 O ATOM 1401 CB ASN A 510 -8.317 -27.357 -1.735 1.00 0.00 C ATOM 1402 CG ASN A 510 -9.552 -26.945 -0.932 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -9.467 -26.477 0.191 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -10.702 -27.147 -1.569 1.00 0.00 N ATOM 0 H ASN A 510 -5.236 -26.349 -1.148 1.00 0.00 H new ATOM 0 HA ASN A 510 -7.355 -27.292 0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -8.187 -26.681 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -8.463 -28.356 -2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -11.584 -26.906 -1.117 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -10.702 -27.543 -2.509 1.00 0.00 H new ATOM 1411 N GLU A 511 -5.301 -28.466 -2.059 1.00 0.00 N ATOM 1412 CA GLU A 511 -4.460 -29.588 -2.438 1.00 0.00 C ATOM 1413 C GLU A 511 -3.373 -29.131 -3.413 1.00 0.00 C ATOM 1414 O GLU A 511 -3.240 -27.940 -3.688 1.00 0.00 O ATOM 1415 CB GLU A 511 -5.295 -30.721 -3.040 1.00 0.00 C ATOM 1416 CG GLU A 511 -4.971 -32.057 -2.368 1.00 0.00 C ATOM 1417 CD GLU A 511 -4.925 -33.190 -3.396 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -4.983 -32.931 -4.607 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -4.825 -34.375 -2.896 1.00 0.00 O ATOM 0 H GLU A 511 -5.088 -27.592 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 511 -3.977 -29.974 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -6.355 -30.498 -2.922 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -5.101 -30.792 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -4.012 -31.987 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -5.722 -32.279 -1.610 1.00 0.00 H new ATOM 1427 N PHE A 512 -2.623 -30.103 -3.912 1.00 0.00 N ATOM 1428 CA PHE A 512 -1.552 -29.816 -4.850 1.00 0.00 C ATOM 1429 C PHE A 512 -1.826 -30.461 -6.210 1.00 0.00 C ATOM 1430 O PHE A 512 -2.376 -31.560 -6.280 1.00 0.00 O ATOM 1431 CB PHE A 512 -0.271 -30.414 -4.264 1.00 0.00 C ATOM 1432 CG PHE A 512 -0.030 -31.874 -4.655 1.00 0.00 C ATOM 1433 CD1 PHE A 512 0.492 -32.174 -5.874 1.00 0.00 C ATOM 1434 CD2 PHE A 512 -0.338 -32.871 -3.782 1.00 0.00 C ATOM 1435 CE1 PHE A 512 0.715 -33.528 -6.237 1.00 0.00 C ATOM 1436 CE2 PHE A 512 -0.116 -34.226 -4.146 1.00 0.00 C ATOM 1437 CZ PHE A 512 0.408 -34.525 -5.365 1.00 0.00 C ATOM 0 H PHE A 512 -2.736 -31.091 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 512 -1.467 -28.740 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 512 0.580 -29.816 -4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 512 -0.313 -30.342 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 512 0.737 -31.382 -6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 512 -0.751 -32.632 -2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 512 1.129 -33.766 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 512 -0.363 -35.018 -3.455 1.00 0.00 H new ATOM 0 HZ PHE A 512 0.580 -35.555 -5.640 1.00 0.00 H new ATOM 1447 N GLN A 513 -1.430 -29.752 -7.255 1.00 0.00 N ATOM 1448 CA GLN A 513 -1.627 -30.242 -8.609 1.00 0.00 C ATOM 1449 C GLN A 513 -0.283 -30.361 -9.332 1.00 0.00 C ATOM 1450 O GLN A 513 0.327 -29.352 -9.684 1.00 0.00 O ATOM 1451 CB GLN A 513 -2.588 -29.341 -9.384 1.00 0.00 C ATOM 1452 CG GLN A 513 -3.648 -30.168 -10.117 1.00 0.00 C ATOM 1453 CD GLN A 513 -3.801 -29.704 -11.567 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -3.508 -28.573 -11.918 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -4.276 -30.638 -12.386 1.00 0.00 N ATOM 0 H GLN A 513 -0.974 -28.842 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 513 -2.076 -31.233 -8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -3.074 -28.647 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -2.030 -28.741 -10.102 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -3.370 -31.222 -10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.604 -30.080 -9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -4.501 -31.565 -12.026 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -4.415 -30.427 -13.374 1.00 0.00 H new ATOM 1464 N CYS A 514 0.137 -31.600 -9.532 1.00 0.00 N ATOM 1465 CA CYS A 514 1.398 -31.863 -10.206 1.00 0.00 C ATOM 1466 C CYS A 514 1.246 -31.475 -11.677 1.00 0.00 C ATOM 1467 O CYS A 514 1.034 -32.334 -12.531 1.00 0.00 O ATOM 1468 CB CYS A 514 1.834 -33.321 -10.042 1.00 0.00 C ATOM 1469 SG CYS A 514 3.313 -33.794 -11.011 1.00 0.00 S ATOM 0 H CYS A 514 -0.373 -32.434 -9.240 1.00 0.00 H new ATOM 0 HA CYS A 514 2.188 -31.263 -9.753 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.033 -33.510 -8.987 1.00 0.00 H new ATOM 0 HB3 CYS A 514 1.006 -33.968 -10.331 1.00 0.00 H new ATOM 1474 N GLU A 515 1.362 -30.179 -11.929 1.00 0.00 N ATOM 1475 CA GLU A 515 1.239 -29.666 -13.283 1.00 0.00 C ATOM 1476 C GLU A 515 2.038 -30.537 -14.255 1.00 0.00 C ATOM 1477 O GLU A 515 2.824 -31.384 -13.832 1.00 0.00 O ATOM 1478 CB GLU A 515 1.689 -28.206 -13.359 1.00 0.00 C ATOM 1479 CG GLU A 515 0.726 -27.295 -12.595 1.00 0.00 C ATOM 1480 CD GLU A 515 -0.553 -27.051 -13.400 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -0.498 -26.960 -14.636 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -1.630 -26.957 -12.697 1.00 0.00 O ATOM 0 H GLU A 515 1.540 -29.469 -11.218 1.00 0.00 H new ATOM 0 HA GLU A 515 0.188 -29.704 -13.571 1.00 0.00 H new ATOM 0 HB2 GLU A 515 2.693 -28.109 -12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 515 1.743 -27.892 -14.401 1.00 0.00 H new ATOM 0 HG2 GLU A 515 0.475 -27.748 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 515 1.212 -26.343 -12.381 1.00 0.00 H new ATOM 1490 N CYS A 516 1.810 -30.299 -15.538 1.00 0.00 N ATOM 1491 CA CYS A 516 2.499 -31.052 -16.573 1.00 0.00 C ATOM 1492 C CYS A 516 3.637 -30.186 -17.119 1.00 0.00 C ATOM 1493 O CYS A 516 3.440 -29.009 -17.413 1.00 0.00 O ATOM 1494 CB CYS A 516 1.541 -31.499 -17.679 1.00 0.00 C ATOM 1495 SG CYS A 516 2.006 -33.061 -18.511 1.00 0.00 S ATOM 0 H CYS A 516 1.158 -29.595 -15.885 1.00 0.00 H new ATOM 0 HA CYS A 516 2.911 -31.967 -16.148 1.00 0.00 H new ATOM 0 HB2 CYS A 516 0.544 -31.613 -17.253 1.00 0.00 H new ATOM 0 HB3 CYS A 516 1.479 -30.709 -18.428 1.00 0.00 H new ATOM 0 HG CYS A 516 1.126 -33.344 -19.425 1.00 0.00 H new ATOM 1500 N PRO A 517 4.834 -30.820 -17.239 1.00 0.00 N ATOM 1501 CA PRO A 517 6.003 -30.122 -17.744 1.00 0.00 C ATOM 1502 C PRO A 517 5.914 -29.926 -19.259 1.00 0.00 C ATOM 1503 O PRO A 517 4.975 -30.402 -19.896 1.00 0.00 O ATOM 1504 CB PRO A 517 7.186 -30.978 -17.324 1.00 0.00 C ATOM 1505 CG PRO A 517 6.614 -32.352 -17.010 1.00 0.00 C ATOM 1506 CD PRO A 517 5.104 -32.214 -16.900 1.00 0.00 C ATOM 0 HA PRO A 517 6.096 -29.113 -17.341 1.00 0.00 H new ATOM 0 HB2 PRO A 517 7.928 -31.036 -18.120 1.00 0.00 H new ATOM 0 HB3 PRO A 517 7.685 -30.554 -16.453 1.00 0.00 H new ATOM 0 HG2 PRO A 517 6.876 -33.063 -17.794 1.00 0.00 H new ATOM 0 HG3 PRO A 517 7.031 -32.736 -16.079 1.00 0.00 H new ATOM 0 HD2 PRO A 517 4.593 -32.894 -17.582 1.00 0.00 H new ATOM 0 HD3 PRO A 517 4.757 -32.452 -15.894 1.00 0.00 H new