USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 470 GLN : amide:sc= -0.634 K(o=-2.4,f=-3.4) USER MOD Set 1.2: A 475 GLN :FLIP amide:sc= -1.73 F(o=-3.4!,f=-2.4) USER MOD Set 2.1: A 421 ASN : amide:sc= -12.3! C(o=-13!,f=-18!) USER MOD Set 2.2: A 425 HIS :FLIP no HD1:sc= -0.386 F(o=-15,f=-13) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -3.27! C(o=-3.3!,f=-9.6!) USER MOD Single : A 432 THR OG1 : rot -78:sc= -6.71! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.0979 X(o=-0.098,f=-0.052) USER MOD Single : A 442 GLN :FLIP amide:sc= -2.33! C(o=-4.5!,f=-2.3!) USER MOD Single : A 444 TYR OH : rot -140:sc= -3.44! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.335! USER MOD Single : A 454 ASN : amide:sc= -5.05! C(o=-5!,f=-16!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -4.41! C(o=-4.4!,f=-4!) USER MOD Single : A 462 GLN :FLIP amide:sc= -0.681 F(o=-2.7,f=-0.68) USER MOD Single : A 463 ASN : amide:sc= -1.82 X(o=-1.8,f=-2!) 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= -4.45! C(o=-6.1!,f=-4.5!) USER MOD Single : A 490 ASN : amide:sc= -0.954 K(o=-0.95,f=-4.7!) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 501 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.0022) USER MOD Single : A 502 ASN : amide:sc= -0.0789 X(o=-0.079,f=-0.16) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 513 GLN : amide:sc=-0.00273 X(o=-0.0027,f=-0.086) USER MOD Single : A 516 CYS SG : rot 180:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 -1.721 36.255 8.955 1.00 0.00 N ATOM 19 CA ASP A 412 -1.822 34.824 8.724 1.00 0.00 C ATOM 20 C ASP A 412 -1.078 34.080 9.834 1.00 0.00 C ATOM 21 O ASP A 412 0.103 34.331 10.072 1.00 0.00 O ATOM 22 CB ASP A 412 -1.187 34.437 7.388 1.00 0.00 C ATOM 23 CG ASP A 412 -0.908 32.942 7.214 1.00 0.00 C ATOM 24 OD1 ASP A 412 -0.115 32.537 6.351 1.00 0.00 O ATOM 25 OD2 ASP A 412 -1.554 32.169 8.019 1.00 0.00 O ATOM 0 HA ASP A 412 -2.879 34.557 8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -1.844 34.765 6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.249 34.982 7.277 1.00 0.00 H new ATOM 31 N VAL A 413 -1.799 33.178 10.485 1.00 0.00 N ATOM 32 CA VAL A 413 -1.223 32.395 11.565 1.00 0.00 C ATOM 33 C VAL A 413 -0.941 30.977 11.066 1.00 0.00 C ATOM 34 O VAL A 413 -1.541 30.527 10.092 1.00 0.00 O ATOM 35 CB VAL A 413 -2.144 32.428 12.785 1.00 0.00 C ATOM 36 CG1 VAL A 413 -3.297 31.435 12.627 1.00 0.00 C ATOM 37 CG2 VAL A 413 -1.362 32.159 14.072 1.00 0.00 C ATOM 0 H VAL A 413 -2.778 32.972 10.285 1.00 0.00 H new ATOM 0 HA VAL A 413 -0.272 32.823 11.882 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.570 33.429 12.856 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.937 31.478 13.508 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.879 31.692 11.742 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.897 30.427 12.518 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -2.042 32.188 14.924 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.894 31.176 14.015 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.592 32.921 14.196 1.00 0.00 H new ATOM 47 N ASP A 414 -0.026 30.313 11.757 1.00 0.00 N ATOM 48 CA ASP A 414 0.343 28.955 11.397 1.00 0.00 C ATOM 49 C ASP A 414 -0.547 27.970 12.158 1.00 0.00 C ATOM 50 O ASP A 414 -0.110 27.357 13.131 1.00 0.00 O ATOM 51 CB ASP A 414 1.799 28.661 11.770 1.00 0.00 C ATOM 52 CG ASP A 414 2.339 27.324 11.260 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.557 27.091 11.244 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.440 26.488 10.863 1.00 0.00 O ATOM 0 H ASP A 414 0.471 30.690 12.564 1.00 0.00 H new ATOM 0 HA ASP A 414 0.218 28.847 10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.427 29.462 11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.892 28.683 12.856 1.00 0.00 H new ATOM 60 N GLU A 415 -1.778 27.847 11.685 1.00 0.00 N ATOM 61 CA GLU A 415 -2.733 26.947 12.308 1.00 0.00 C ATOM 62 C GLU A 415 -2.196 25.514 12.301 1.00 0.00 C ATOM 63 O GLU A 415 -2.708 24.652 13.012 1.00 0.00 O ATOM 64 CB GLU A 415 -4.094 27.026 11.614 1.00 0.00 C ATOM 65 CG GLU A 415 -4.696 28.427 11.744 1.00 0.00 C ATOM 66 CD GLU A 415 -4.617 29.182 10.416 1.00 0.00 C ATOM 67 OE1 GLU A 415 -4.217 30.356 10.394 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.986 28.507 9.381 1.00 0.00 O ATOM 0 H GLU A 415 -2.136 28.356 10.877 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.872 27.257 13.344 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.984 26.770 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.772 26.293 12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.736 28.352 12.063 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -4.165 28.985 12.516 1.00 0.00 H new ATOM 76 N CYS A 416 -1.171 25.305 11.488 1.00 0.00 N ATOM 77 CA CYS A 416 -0.558 23.993 11.378 1.00 0.00 C ATOM 78 C CYS A 416 0.410 23.814 12.551 1.00 0.00 C ATOM 79 O CYS A 416 0.815 22.696 12.860 1.00 0.00 O ATOM 80 CB CYS A 416 0.138 23.803 10.029 1.00 0.00 C ATOM 81 SG CYS A 416 -0.418 22.344 9.076 1.00 0.00 S ATOM 0 H CYS A 416 -0.750 26.023 10.899 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.330 23.225 11.424 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -0.022 24.696 9.425 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.212 23.721 10.199 1.00 0.00 H new ATOM 86 N SER A 417 0.751 24.935 13.169 1.00 0.00 N ATOM 87 CA SER A 417 1.664 24.916 14.300 1.00 0.00 C ATOM 88 C SER A 417 0.901 25.212 15.593 1.00 0.00 C ATOM 89 O SER A 417 1.381 24.908 16.683 1.00 0.00 O ATOM 90 CB SER A 417 2.796 25.927 14.110 1.00 0.00 C ATOM 91 OG SER A 417 3.922 25.627 14.931 1.00 0.00 O ATOM 0 H SER A 417 0.412 25.861 12.909 1.00 0.00 H new ATOM 0 HA SER A 417 2.107 23.922 14.366 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.102 25.936 13.064 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.432 26.927 14.345 1.00 0.00 H new ATOM 0 HG SER A 417 4.624 26.294 14.780 1.00 0.00 H new ATOM 97 N LEU A 418 -0.275 25.800 15.428 1.00 0.00 N ATOM 98 CA LEU A 418 -1.109 26.139 16.568 1.00 0.00 C ATOM 99 C LEU A 418 -1.653 24.855 17.197 1.00 0.00 C ATOM 100 O LEU A 418 -1.109 24.362 18.183 1.00 0.00 O ATOM 101 CB LEU A 418 -2.197 27.134 16.159 1.00 0.00 C ATOM 102 CG LEU A 418 -1.735 28.573 15.917 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.487 29.199 14.740 1.00 0.00 C ATOM 104 CD2 LEU A 418 -1.863 29.411 17.191 1.00 0.00 C ATOM 0 H LEU A 418 -0.670 26.050 14.521 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.520 26.644 17.334 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.672 26.768 15.249 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -2.962 27.145 16.936 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.678 28.553 15.650 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -2.140 30.221 14.589 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -2.301 28.616 13.838 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.556 29.206 14.954 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.528 30.429 16.992 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -2.904 29.428 17.512 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.248 28.974 17.977 1.00 0.00 H new ATOM 116 N GLY A 419 -2.722 24.348 16.599 1.00 0.00 N ATOM 117 CA GLY A 419 -3.346 23.132 17.088 1.00 0.00 C ATOM 118 C GLY A 419 -4.169 22.458 15.988 1.00 0.00 C ATOM 119 O GLY A 419 -5.103 21.711 16.275 1.00 0.00 O ATOM 0 H GLY A 419 -3.171 24.758 15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -2.580 22.445 17.447 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -3.989 23.365 17.937 1.00 0.00 H new ATOM 123 N ALA A 420 -3.792 22.745 14.751 1.00 0.00 N ATOM 124 CA ALA A 420 -4.482 22.175 13.606 1.00 0.00 C ATOM 125 C ALA A 420 -3.471 21.456 12.711 1.00 0.00 C ATOM 126 O ALA A 420 -3.077 21.977 11.669 1.00 0.00 O ATOM 127 CB ALA A 420 -5.235 23.281 12.862 1.00 0.00 C ATOM 0 H ALA A 420 -3.017 23.365 14.516 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.218 21.439 13.930 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.753 22.854 12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -5.962 23.741 13.532 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.528 24.037 12.521 1.00 0.00 H new ATOM 133 N ASN A 421 -3.079 20.269 13.152 1.00 0.00 N ATOM 134 CA ASN A 421 -2.121 19.472 12.405 1.00 0.00 C ATOM 135 C ASN A 421 -2.796 18.183 11.931 1.00 0.00 C ATOM 136 O ASN A 421 -3.029 17.272 12.725 1.00 0.00 O ATOM 137 CB ASN A 421 -0.925 19.087 13.278 1.00 0.00 C ATOM 138 CG ASN A 421 -0.383 17.710 12.889 1.00 0.00 C ATOM 139 OD1 ASN A 421 -0.085 16.873 13.725 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.274 17.522 11.577 1.00 0.00 N ATOM 0 H ASN A 421 -3.408 19.840 14.017 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.774 20.067 11.560 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -0.138 19.834 13.173 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.222 19.082 14.327 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.077 16.635 11.216 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.541 18.265 10.931 1.00 0.00 H new ATOM 147 N PRO A 422 -3.099 18.147 10.607 1.00 0.00 N ATOM 148 CA PRO A 422 -3.742 16.984 10.018 1.00 0.00 C ATOM 149 C PRO A 422 -2.750 15.830 9.858 1.00 0.00 C ATOM 150 O PRO A 422 -3.120 14.665 9.995 1.00 0.00 O ATOM 151 CB PRO A 422 -4.301 17.474 8.692 1.00 0.00 C ATOM 152 CG PRO A 422 -3.556 18.759 8.374 1.00 0.00 C ATOM 153 CD PRO A 422 -2.838 19.206 9.637 1.00 0.00 C ATOM 0 HA PRO A 422 -4.536 16.580 10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.152 16.732 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.374 17.652 8.763 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.842 18.597 7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.250 19.529 8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.769 19.328 9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.216 20.166 9.988 1.00 0.00 H new ATOM 161 N CYS A 423 -1.508 16.195 9.571 1.00 0.00 N ATOM 162 CA CYS A 423 -0.460 15.205 9.392 1.00 0.00 C ATOM 163 C CYS A 423 -0.318 14.415 10.694 1.00 0.00 C ATOM 164 O CYS A 423 0.384 13.404 10.739 1.00 0.00 O ATOM 165 CB CYS A 423 0.861 15.850 8.967 1.00 0.00 C ATOM 166 SG CYS A 423 0.790 16.778 7.391 1.00 0.00 S ATOM 0 H CYS A 423 -1.205 17.162 9.458 1.00 0.00 H new ATOM 0 HA CYS A 423 -0.732 14.525 8.584 1.00 0.00 H new ATOM 0 HB2 CYS A 423 1.189 16.526 9.756 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.618 15.071 8.880 1.00 0.00 H new ATOM 171 N GLU A 424 -0.991 14.906 11.724 1.00 0.00 N ATOM 172 CA GLU A 424 -0.948 14.259 13.024 1.00 0.00 C ATOM 173 C GLU A 424 0.500 13.967 13.423 1.00 0.00 C ATOM 174 O GLU A 424 0.794 12.906 13.971 1.00 0.00 O ATOM 175 CB GLU A 424 -1.787 12.980 13.028 1.00 0.00 C ATOM 176 CG GLU A 424 -1.183 11.925 12.098 1.00 0.00 C ATOM 177 CD GLU A 424 -1.790 10.546 12.364 1.00 0.00 C ATOM 178 OE1 GLU A 424 -1.079 9.631 12.809 1.00 0.00 O ATOM 179 OE2 GLU A 424 -3.047 10.442 12.094 1.00 0.00 O ATOM 0 H GLU A 424 -1.570 15.745 11.684 1.00 0.00 H new ATOM 0 HA GLU A 424 -1.378 14.938 13.761 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.848 12.584 14.042 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.805 13.208 12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -1.357 12.208 11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -0.103 11.885 12.241 1.00 0.00 H new ATOM 187 N HIS A 425 1.365 14.928 13.135 1.00 0.00 N ATOM 188 CA HIS A 425 2.774 14.787 13.457 1.00 0.00 C ATOM 189 C HIS A 425 3.447 13.874 12.430 1.00 0.00 C ATOM 190 O HIS A 425 4.669 13.727 12.431 1.00 0.00 O ATOM 191 CB HIS A 425 2.957 14.298 14.896 1.00 0.00 C ATOM 192 CG HIS A 425 2.258 15.151 15.928 1.00 0.00 C ATOM 193 ND1 HIS A 425 0.935 15.432 16.106 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 2.938 15.827 16.925 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 0.812 16.233 17.156 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 2.054 16.481 17.665 1.00 0.00 N flip ATOM 0 H HIS A 425 1.117 15.808 12.682 1.00 0.00 H new ATOM 0 HA HIS A 425 3.262 15.760 13.401 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.585 13.276 14.972 1.00 0.00 H new ATOM 0 HB3 HIS A 425 4.022 14.267 15.126 1.00 0.00 H new ATOM 0 HD2 HIS A 425 4.008 15.823 17.075 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -0.117 16.624 17.544 1.00 0.00 H new ATOM 0 HE2 HIS A 425 2.265 17.067 18.473 1.00 0.00 H new ATOM 204 N ALA A 426 2.621 13.286 11.579 1.00 0.00 N ATOM 205 CA ALA A 426 3.120 12.391 10.549 1.00 0.00 C ATOM 206 C ALA A 426 2.968 13.059 9.180 1.00 0.00 C ATOM 207 O ALA A 426 2.079 12.704 8.408 1.00 0.00 O ATOM 208 CB ALA A 426 2.381 11.054 10.631 1.00 0.00 C ATOM 0 H ALA A 426 1.609 13.412 11.581 1.00 0.00 H new ATOM 0 HA ALA A 426 4.180 12.187 10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 426 2.756 10.383 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.546 10.607 11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.314 11.218 10.482 1.00 0.00 H new ATOM 214 N GLY A 427 3.849 14.015 8.923 1.00 0.00 N ATOM 215 CA GLY A 427 3.824 14.735 7.662 1.00 0.00 C ATOM 216 C GLY A 427 4.439 16.128 7.814 1.00 0.00 C ATOM 217 O GLY A 427 5.039 16.437 8.843 1.00 0.00 O ATOM 0 H GLY A 427 4.584 14.307 9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 427 4.372 14.172 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.796 14.824 7.310 1.00 0.00 H new ATOM 221 N LYS A 428 4.267 16.932 6.776 1.00 0.00 N ATOM 222 CA LYS A 428 4.798 18.286 6.780 1.00 0.00 C ATOM 223 C LYS A 428 3.652 19.278 6.986 1.00 0.00 C ATOM 224 O LYS A 428 2.718 19.326 6.188 1.00 0.00 O ATOM 225 CB LYS A 428 5.616 18.544 5.514 1.00 0.00 C ATOM 226 CG LYS A 428 6.582 19.715 5.714 1.00 0.00 C ATOM 227 CD LYS A 428 8.025 19.221 5.832 1.00 0.00 C ATOM 228 CE LYS A 428 8.813 19.521 4.557 1.00 0.00 C ATOM 229 NZ LYS A 428 9.629 18.350 4.162 1.00 0.00 N ATOM 0 H LYS A 428 3.767 16.673 5.925 1.00 0.00 H new ATOM 0 HA LYS A 428 5.490 18.422 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 428 6.176 17.647 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 428 4.946 18.759 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.498 20.407 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.308 20.268 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.508 19.700 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 428 8.031 18.148 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.127 19.781 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 428 9.459 20.384 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.157 18.572 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 10.297 18.119 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.006 17.535 3.989 1.00 0.00 H new ATOM 242 N CYS A 429 3.761 20.043 8.062 1.00 0.00 N ATOM 243 CA CYS A 429 2.746 21.033 8.382 1.00 0.00 C ATOM 244 C CYS A 429 3.329 22.422 8.126 1.00 0.00 C ATOM 245 O CYS A 429 4.265 22.841 8.805 1.00 0.00 O ATOM 246 CB CYS A 429 2.244 20.881 9.820 1.00 0.00 C ATOM 247 SG CYS A 429 0.422 20.857 9.998 1.00 0.00 S ATOM 0 H CYS A 429 4.536 19.998 8.723 1.00 0.00 H new ATOM 0 HA CYS A 429 1.875 20.884 7.743 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.648 19.958 10.235 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.643 21.701 10.418 1.00 0.00 H new ATOM 252 N ILE A 430 2.755 23.099 7.143 1.00 0.00 N ATOM 253 CA ILE A 430 3.206 24.434 6.787 1.00 0.00 C ATOM 254 C ILE A 430 2.087 25.438 7.066 1.00 0.00 C ATOM 255 O ILE A 430 0.953 25.048 7.342 1.00 0.00 O ATOM 256 CB ILE A 430 3.712 24.461 5.344 1.00 0.00 C ATOM 257 CG1 ILE A 430 3.402 23.145 4.628 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.202 24.806 5.290 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.241 22.000 5.201 1.00 0.00 C ATOM 0 H ILE A 430 1.980 22.748 6.581 1.00 0.00 H new ATOM 0 HA ILE A 430 4.056 24.726 7.404 1.00 0.00 H new ATOM 0 HB ILE A 430 3.180 25.250 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.342 22.911 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 430 3.603 23.250 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 430 5.535 24.818 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.365 25.788 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 430 5.769 24.058 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.002 21.075 4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.300 22.226 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.019 21.882 6.262 1.00 0.00 H new ATOM 271 N ASN A 431 2.443 26.711 6.984 1.00 0.00 N ATOM 272 CA ASN A 431 1.482 27.774 7.225 1.00 0.00 C ATOM 273 C ASN A 431 1.148 28.463 5.900 1.00 0.00 C ATOM 274 O ASN A 431 2.034 28.704 5.081 1.00 0.00 O ATOM 275 CB ASN A 431 2.053 28.829 8.174 1.00 0.00 C ATOM 276 CG ASN A 431 1.159 30.069 8.219 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.002 30.046 7.832 1.00 0.00 O ATOM 278 ND2 ASN A 431 1.756 31.150 8.712 1.00 0.00 N ATOM 0 H ASN A 431 3.384 27.031 6.754 1.00 0.00 H new ATOM 0 HA ASN A 431 0.593 27.329 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.148 28.409 9.175 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.055 29.110 7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.242 32.028 8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 431 2.728 31.101 9.018 1.00 0.00 H new ATOM 285 N THR A 432 -0.133 28.759 5.731 1.00 0.00 N ATOM 286 CA THR A 432 -0.594 29.416 4.519 1.00 0.00 C ATOM 287 C THR A 432 -1.392 30.674 4.865 1.00 0.00 C ATOM 288 O THR A 432 -1.814 30.852 6.007 1.00 0.00 O ATOM 289 CB THR A 432 -1.392 28.396 3.704 1.00 0.00 C ATOM 290 OG1 THR A 432 -1.612 27.319 4.612 1.00 0.00 O ATOM 291 CG2 THR A 432 -0.565 27.768 2.579 1.00 0.00 C ATOM 0 H THR A 432 -0.865 28.556 6.412 1.00 0.00 H new ATOM 0 HA THR A 432 0.244 29.757 3.911 1.00 0.00 H new ATOM 0 HB THR A 432 -2.273 28.880 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 432 -0.797 26.780 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 432 -1.179 27.052 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 432 -0.225 28.548 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 432 0.298 27.256 3.004 1.00 0.00 H new ATOM 299 N LEU A 433 -1.576 31.515 3.857 1.00 0.00 N ATOM 300 CA LEU A 433 -2.316 32.752 4.041 1.00 0.00 C ATOM 301 C LEU A 433 -3.803 32.432 4.210 1.00 0.00 C ATOM 302 O LEU A 433 -4.408 31.804 3.342 1.00 0.00 O ATOM 303 CB LEU A 433 -2.023 33.726 2.899 1.00 0.00 C ATOM 304 CG LEU A 433 -0.986 34.813 3.194 1.00 0.00 C ATOM 305 CD1 LEU A 433 -0.458 35.434 1.899 1.00 0.00 C ATOM 306 CD2 LEU A 433 -1.552 35.867 4.147 1.00 0.00 C ATOM 0 H LEU A 433 -1.226 31.364 2.911 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.993 33.257 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -1.684 33.152 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -2.956 34.210 2.612 1.00 0.00 H new ATOM 0 HG LEU A 433 -0.138 34.348 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 433 0.277 36.203 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 433 0.010 34.661 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -1.284 35.881 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -0.795 36.627 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -2.428 36.333 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -1.837 35.393 5.086 1.00 0.00 H new ATOM 318 N GLY A 434 -4.348 32.878 5.330 1.00 0.00 N ATOM 319 CA GLY A 434 -5.752 32.646 5.623 1.00 0.00 C ATOM 320 C GLY A 434 -5.966 31.253 6.217 1.00 0.00 C ATOM 321 O GLY A 434 -6.697 31.096 7.195 1.00 0.00 O ATOM 0 H GLY A 434 -3.843 33.399 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -6.111 33.402 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -6.339 32.750 4.711 1.00 0.00 H new ATOM 325 N SER A 435 -5.316 30.276 5.602 1.00 0.00 N ATOM 326 CA SER A 435 -5.426 28.900 6.058 1.00 0.00 C ATOM 327 C SER A 435 -4.037 28.264 6.142 1.00 0.00 C ATOM 328 O SER A 435 -3.059 28.836 5.664 1.00 0.00 O ATOM 329 CB SER A 435 -6.329 28.083 5.131 1.00 0.00 C ATOM 330 OG SER A 435 -7.552 28.758 4.845 1.00 0.00 O ATOM 0 H SER A 435 -4.711 30.410 4.792 1.00 0.00 H new ATOM 0 HA SER A 435 -5.878 28.903 7.050 1.00 0.00 H new ATOM 0 HB2 SER A 435 -5.802 27.878 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 435 -6.546 27.120 5.593 1.00 0.00 H new ATOM 0 HG SER A 435 -8.099 28.205 4.249 1.00 0.00 H new ATOM 336 N PHE A 436 -3.996 27.090 6.753 1.00 0.00 N ATOM 337 CA PHE A 436 -2.744 26.370 6.906 1.00 0.00 C ATOM 338 C PHE A 436 -2.615 25.263 5.859 1.00 0.00 C ATOM 339 O PHE A 436 -3.612 24.832 5.280 1.00 0.00 O ATOM 340 CB PHE A 436 -2.757 25.739 8.299 1.00 0.00 C ATOM 341 CG PHE A 436 -3.906 24.753 8.524 1.00 0.00 C ATOM 342 CD1 PHE A 436 -5.131 25.211 8.898 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.704 23.420 8.350 1.00 0.00 C ATOM 344 CE1 PHE A 436 -6.198 24.297 9.106 1.00 0.00 C ATOM 345 CE2 PHE A 436 -4.770 22.506 8.559 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.994 22.964 8.932 1.00 0.00 C ATOM 0 H PHE A 436 -4.810 26.619 7.148 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.905 27.054 6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.811 25.222 8.462 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.820 26.531 9.045 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -5.292 26.270 9.037 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -2.732 23.056 8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -7.171 24.661 9.402 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -4.608 21.447 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.805 22.269 9.090 1.00 0.00 H new ATOM 356 N GLU A 437 -1.380 24.833 5.645 1.00 0.00 N ATOM 357 CA GLU A 437 -1.108 23.784 4.676 1.00 0.00 C ATOM 358 C GLU A 437 -0.258 22.682 5.312 1.00 0.00 C ATOM 359 O GLU A 437 0.638 22.965 6.105 1.00 0.00 O ATOM 360 CB GLU A 437 -0.429 24.352 3.430 1.00 0.00 C ATOM 361 CG GLU A 437 0.257 23.244 2.628 1.00 0.00 C ATOM 362 CD GLU A 437 0.179 23.527 1.125 1.00 0.00 C ATOM 363 OE1 GLU A 437 -0.387 22.723 0.372 1.00 0.00 O ATOM 364 OE2 GLU A 437 0.736 24.628 0.749 1.00 0.00 O ATOM 0 H GLU A 437 -0.556 25.192 6.126 1.00 0.00 H new ATOM 0 HA GLU A 437 -2.057 23.348 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -1.168 24.854 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.305 25.103 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.300 23.162 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -0.215 22.286 2.846 1.00 0.00 H new ATOM 372 N CYS A 438 -0.570 21.449 4.939 1.00 0.00 N ATOM 373 CA CYS A 438 0.155 20.304 5.463 1.00 0.00 C ATOM 374 C CYS A 438 0.313 19.280 4.337 1.00 0.00 C ATOM 375 O CYS A 438 -0.670 18.879 3.715 1.00 0.00 O ATOM 376 CB CYS A 438 -0.542 19.704 6.685 1.00 0.00 C ATOM 377 SG CYS A 438 0.509 18.610 7.709 1.00 0.00 S ATOM 0 H CYS A 438 -1.314 21.218 4.281 1.00 0.00 H new ATOM 0 HA CYS A 438 1.140 20.620 5.807 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.913 20.517 7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.411 19.139 6.349 1.00 0.00 H new ATOM 382 N GLN A 439 1.557 18.887 4.109 1.00 0.00 N ATOM 383 CA GLN A 439 1.857 17.918 3.067 1.00 0.00 C ATOM 384 C GLN A 439 1.720 16.495 3.612 1.00 0.00 C ATOM 385 O GLN A 439 1.790 16.279 4.822 1.00 0.00 O ATOM 386 CB GLN A 439 3.254 18.150 2.487 1.00 0.00 C ATOM 387 CG GLN A 439 3.590 19.643 2.448 1.00 0.00 C ATOM 388 CD GLN A 439 4.703 19.928 1.438 1.00 0.00 C ATOM 389 OE1 GLN A 439 4.592 19.643 0.256 1.00 0.00 O ATOM 390 NE2 GLN A 439 5.778 20.504 1.967 1.00 0.00 N ATOM 0 H GLN A 439 2.369 19.221 4.627 1.00 0.00 H new ATOM 0 HA GLN A 439 1.138 18.049 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 439 3.994 17.623 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.307 17.735 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 439 2.699 20.213 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 439 3.899 19.976 3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 439 5.805 20.715 2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 439 6.576 20.735 1.375 1.00 0.00 H new ATOM 399 N CYS A 440 1.527 15.559 2.694 1.00 0.00 N ATOM 400 CA CYS A 440 1.380 14.163 3.067 1.00 0.00 C ATOM 401 C CYS A 440 2.772 13.535 3.135 1.00 0.00 C ATOM 402 O CYS A 440 3.761 14.163 2.762 1.00 0.00 O ATOM 403 CB CYS A 440 0.461 13.413 2.099 1.00 0.00 C ATOM 404 SG CYS A 440 0.628 13.906 0.345 1.00 0.00 S ATOM 0 H CYS A 440 1.469 15.741 1.692 1.00 0.00 H new ATOM 0 HA CYS A 440 0.903 14.093 4.045 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.663 12.345 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -0.573 13.567 2.408 1.00 0.00 H new ATOM 409 N LEU A 441 2.806 12.299 3.616 1.00 0.00 N ATOM 410 CA LEU A 441 4.062 11.578 3.737 1.00 0.00 C ATOM 411 C LEU A 441 3.823 10.096 3.448 1.00 0.00 C ATOM 412 O LEU A 441 2.716 9.593 3.636 1.00 0.00 O ATOM 413 CB LEU A 441 4.702 11.843 5.101 1.00 0.00 C ATOM 414 CG LEU A 441 3.958 11.276 6.312 1.00 0.00 C ATOM 415 CD1 LEU A 441 2.443 11.321 6.096 1.00 0.00 C ATOM 416 CD2 LEU A 441 4.448 9.866 6.647 1.00 0.00 C ATOM 0 H LEU A 441 1.984 11.780 3.926 1.00 0.00 H new ATOM 0 HA LEU A 441 4.780 11.936 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 441 5.711 11.430 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 441 4.800 12.921 5.231 1.00 0.00 H new ATOM 0 HG LEU A 441 4.179 11.906 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 441 1.938 10.912 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 441 2.128 12.353 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 441 2.183 10.730 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 441 3.903 9.487 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 441 4.277 9.209 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.514 9.896 6.875 1.00 0.00 H new ATOM 428 N GLN A 442 4.879 9.435 2.993 1.00 0.00 N ATOM 429 CA GLN A 442 4.798 8.020 2.676 1.00 0.00 C ATOM 430 C GLN A 442 3.553 7.736 1.835 1.00 0.00 C ATOM 431 O GLN A 442 3.561 7.934 0.620 1.00 0.00 O ATOM 432 CB GLN A 442 4.806 7.172 3.949 1.00 0.00 C ATOM 433 CG GLN A 442 6.235 6.828 4.371 1.00 0.00 C ATOM 434 CD GLN A 442 6.578 7.463 5.720 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.811 8.771 5.658 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.624 6.808 6.748 1.00 0.00 N flip ATOM 0 H GLN A 442 5.795 9.855 2.837 1.00 0.00 H new ATOM 0 HA GLN A 442 5.677 7.747 2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 442 4.306 7.712 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 442 4.242 6.254 3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 442 6.348 5.746 4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 442 6.936 7.177 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.434 5.806 6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.853 7.262 7.632 1.00 0.00 H new ATOM 445 N GLY A 443 2.511 7.276 2.512 1.00 0.00 N ATOM 446 CA GLY A 443 1.261 6.961 1.843 1.00 0.00 C ATOM 447 C GLY A 443 0.062 7.421 2.675 1.00 0.00 C ATOM 448 O GLY A 443 -0.687 6.597 3.198 1.00 0.00 O ATOM 0 H GLY A 443 2.507 7.114 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 443 1.236 7.443 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 443 1.198 5.887 1.670 1.00 0.00 H new ATOM 452 N TYR A 444 -0.082 8.734 2.773 1.00 0.00 N ATOM 453 CA TYR A 444 -1.177 9.313 3.533 1.00 0.00 C ATOM 454 C TYR A 444 -2.267 9.849 2.603 1.00 0.00 C ATOM 455 O TYR A 444 -2.015 10.099 1.426 1.00 0.00 O ATOM 456 CB TYR A 444 -0.574 10.480 4.318 1.00 0.00 C ATOM 457 CG TYR A 444 -0.169 10.122 5.750 1.00 0.00 C ATOM 458 CD1 TYR A 444 0.659 9.043 5.984 1.00 0.00 C ATOM 459 CD2 TYR A 444 -0.630 10.880 6.808 1.00 0.00 C ATOM 460 CE1 TYR A 444 1.041 8.708 7.331 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.248 10.545 8.155 1.00 0.00 C ATOM 462 CZ TYR A 444 0.568 9.475 8.350 1.00 0.00 C ATOM 463 OH TYR A 444 0.928 9.157 9.623 1.00 0.00 O ATOM 0 H TYR A 444 0.542 9.414 2.339 1.00 0.00 H new ATOM 0 HA TYR A 444 -1.633 8.564 4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 444 0.302 10.849 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.296 11.296 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 444 1.020 8.450 5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.278 11.725 6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 444 1.689 7.867 7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -0.601 11.130 8.991 1.00 0.00 H new ATOM 0 HH TYR A 444 0.158 9.272 10.219 1.00 0.00 H new ATOM 473 N THR A 445 -3.455 10.010 3.167 1.00 0.00 N ATOM 474 CA THR A 445 -4.584 10.511 2.403 1.00 0.00 C ATOM 475 C THR A 445 -4.857 11.974 2.755 1.00 0.00 C ATOM 476 O THR A 445 -4.033 12.846 2.480 1.00 0.00 O ATOM 477 CB THR A 445 -5.778 9.591 2.666 1.00 0.00 C ATOM 478 OG1 THR A 445 -6.899 10.332 2.190 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.060 9.406 4.159 1.00 0.00 C ATOM 0 H THR A 445 -3.660 9.802 4.144 1.00 0.00 H new ATOM 0 HA THR A 445 -4.375 10.499 1.333 1.00 0.00 H new ATOM 0 HB THR A 445 -5.593 8.619 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 445 -7.717 9.808 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 445 -6.917 8.745 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.187 8.968 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.277 10.374 4.611 1.00 0.00 H new ATOM 487 N GLY A 446 -6.017 12.200 3.354 1.00 0.00 N ATOM 488 CA GLY A 446 -6.409 13.544 3.744 1.00 0.00 C ATOM 489 C GLY A 446 -6.994 14.310 2.557 1.00 0.00 C ATOM 490 O GLY A 446 -6.739 13.966 1.405 1.00 0.00 O ATOM 0 H GLY A 446 -6.698 11.475 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.144 13.494 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.545 14.079 4.137 1.00 0.00 H new ATOM 494 N PRO A 447 -7.788 15.364 2.888 1.00 0.00 N ATOM 495 CA PRO A 447 -8.413 16.183 1.864 1.00 0.00 C ATOM 496 C PRO A 447 -7.390 17.115 1.209 1.00 0.00 C ATOM 497 O PRO A 447 -7.546 17.497 0.050 1.00 0.00 O ATOM 498 CB PRO A 447 -9.525 16.931 2.580 1.00 0.00 C ATOM 499 CG PRO A 447 -9.189 16.859 4.061 1.00 0.00 C ATOM 500 CD PRO A 447 -8.112 15.801 4.244 1.00 0.00 C ATOM 0 HA PRO A 447 -8.816 15.592 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.580 17.966 2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.495 16.477 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.839 17.827 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.076 16.605 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.236 16.210 4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.471 14.971 4.852 1.00 0.00 H new ATOM 508 N ARG A 448 -6.367 17.454 1.980 1.00 0.00 N ATOM 509 CA ARG A 448 -5.320 18.335 1.490 1.00 0.00 C ATOM 510 C ARG A 448 -4.006 17.566 1.347 1.00 0.00 C ATOM 511 O ARG A 448 -3.020 18.104 0.843 1.00 0.00 O ATOM 512 CB ARG A 448 -5.109 19.519 2.435 1.00 0.00 C ATOM 513 CG ARG A 448 -6.412 20.295 2.640 1.00 0.00 C ATOM 514 CD ARG A 448 -7.347 19.555 3.597 1.00 0.00 C ATOM 515 NE ARG A 448 -7.884 20.492 4.610 1.00 0.00 N ATOM 516 CZ ARG A 448 -8.929 21.318 4.396 1.00 0.00 C ATOM 517 NH1 ARG A 448 -9.561 21.330 3.203 1.00 0.00 N ATOM 518 NH2 ARG A 448 -9.325 22.115 5.371 1.00 0.00 N ATOM 0 H ARG A 448 -6.241 17.135 2.940 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.633 18.713 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.740 19.161 3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.346 20.183 2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.191 21.286 3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.908 20.439 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -8.166 19.102 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -6.809 18.744 4.089 1.00 0.00 H new ATOM 0 HE ARG A 448 -7.436 20.514 5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -9.249 20.711 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -10.350 21.958 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -8.843 22.100 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -10.113 22.746 5.226 1.00 0.00 H new ATOM 531 N CYS A 449 -4.033 16.320 1.796 1.00 0.00 N ATOM 532 CA CYS A 449 -2.855 15.473 1.724 1.00 0.00 C ATOM 533 C CYS A 449 -2.075 15.620 3.032 1.00 0.00 C ATOM 534 O CYS A 449 -0.920 16.045 3.026 1.00 0.00 O ATOM 535 CB CYS A 449 -1.993 15.805 0.505 1.00 0.00 C ATOM 536 SG CYS A 449 -1.160 14.367 -0.262 1.00 0.00 S ATOM 0 H CYS A 449 -4.852 15.877 2.211 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.159 14.434 1.599 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.620 16.286 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.235 16.531 0.800 1.00 0.00 H new ATOM 541 N GLU A 450 -2.738 15.262 4.122 1.00 0.00 N ATOM 542 CA GLU A 450 -2.121 15.347 5.435 1.00 0.00 C ATOM 543 C GLU A 450 -2.809 14.391 6.409 1.00 0.00 C ATOM 544 O GLU A 450 -2.728 14.571 7.624 1.00 0.00 O ATOM 545 CB GLU A 450 -2.154 16.785 5.962 1.00 0.00 C ATOM 546 CG GLU A 450 -3.241 17.601 5.261 1.00 0.00 C ATOM 547 CD GLU A 450 -4.633 17.076 5.612 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.382 17.744 6.341 1.00 0.00 O ATOM 549 OE2 GLU A 450 -4.930 15.931 5.098 1.00 0.00 O ATOM 0 H GLU A 450 -3.696 14.912 4.123 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.076 15.050 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.336 16.778 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.183 17.256 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -3.159 18.648 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -3.094 17.558 4.182 1.00 0.00 H new ATOM 557 N ILE A 451 -3.471 13.394 5.842 1.00 0.00 N ATOM 558 CA ILE A 451 -4.174 12.408 6.644 1.00 0.00 C ATOM 559 C ILE A 451 -3.735 11.005 6.221 1.00 0.00 C ATOM 560 O ILE A 451 -3.484 10.758 5.043 1.00 0.00 O ATOM 561 CB ILE A 451 -5.685 12.630 6.565 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.184 13.454 7.754 1.00 0.00 C ATOM 563 CG2 ILE A 451 -6.430 11.298 6.437 1.00 0.00 C ATOM 564 CD1 ILE A 451 -5.919 14.944 7.537 1.00 0.00 C ATOM 0 H ILE A 451 -3.535 13.248 4.835 1.00 0.00 H new ATOM 0 HA ILE A 451 -3.914 12.519 7.697 1.00 0.00 H new ATOM 0 HB ILE A 451 -5.897 13.206 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.252 13.287 7.894 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -5.687 13.122 8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -7.503 11.485 6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.105 10.785 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.214 10.675 7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.283 15.507 8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -4.848 15.110 7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.437 15.279 6.638 1.00 0.00 H new ATOM 576 N ASP A 452 -3.654 10.122 7.207 1.00 0.00 N ATOM 577 CA ASP A 452 -3.250 8.749 6.951 1.00 0.00 C ATOM 578 C ASP A 452 -4.487 7.909 6.636 1.00 0.00 C ATOM 579 O ASP A 452 -5.517 8.041 7.296 1.00 0.00 O ATOM 580 CB ASP A 452 -2.562 8.142 8.175 1.00 0.00 C ATOM 581 CG ASP A 452 -2.300 6.637 8.088 1.00 0.00 C ATOM 582 OD1 ASP A 452 -1.143 6.190 8.067 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.358 5.901 8.038 1.00 0.00 O ATOM 0 H ASP A 452 -3.861 10.331 8.184 1.00 0.00 H new ATOM 0 HA ASP A 452 -2.555 8.751 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -1.612 8.653 8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.176 8.339 9.054 1.00 0.00 H new ATOM 589 N VAL A 453 -4.347 7.060 5.628 1.00 0.00 N ATOM 590 CA VAL A 453 -5.441 6.197 5.218 1.00 0.00 C ATOM 591 C VAL A 453 -5.213 4.792 5.777 1.00 0.00 C ATOM 592 O VAL A 453 -4.097 4.448 6.165 1.00 0.00 O ATOM 593 CB VAL A 453 -5.582 6.218 3.695 1.00 0.00 C ATOM 594 CG1 VAL A 453 -4.343 6.831 3.037 1.00 0.00 C ATOM 595 CG2 VAL A 453 -5.855 4.816 3.149 1.00 0.00 C ATOM 0 H VAL A 453 -3.492 6.952 5.083 1.00 0.00 H new ATOM 0 HA VAL A 453 -6.386 6.559 5.624 1.00 0.00 H new ATOM 0 HB VAL A 453 -6.438 6.846 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -4.470 6.834 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.212 7.854 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -3.464 6.242 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -5.951 4.860 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.029 4.155 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -6.780 4.432 3.579 1.00 0.00 H new ATOM 605 N ASN A 454 -6.288 4.017 5.800 1.00 0.00 N ATOM 606 CA ASN A 454 -6.218 2.656 6.306 1.00 0.00 C ATOM 607 C ASN A 454 -6.166 1.681 5.127 1.00 0.00 C ATOM 608 O ASN A 454 -7.201 1.222 4.650 1.00 0.00 O ATOM 609 CB ASN A 454 -7.452 2.317 7.146 1.00 0.00 C ATOM 610 CG ASN A 454 -7.287 0.964 7.840 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.358 0.216 7.585 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.238 0.693 8.730 1.00 0.00 N ATOM 0 H ASN A 454 -7.211 4.305 5.477 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.325 2.571 6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.614 3.095 7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.336 2.298 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.217 -0.186 9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.988 1.364 8.895 1.00 0.00 H new ATOM 619 N GLU A 455 -4.948 1.393 4.693 1.00 0.00 N ATOM 620 CA GLU A 455 -4.746 0.481 3.580 1.00 0.00 C ATOM 621 C GLU A 455 -5.306 -0.901 3.918 1.00 0.00 C ATOM 622 O GLU A 455 -5.433 -1.756 3.043 1.00 0.00 O ATOM 623 CB GLU A 455 -3.266 0.396 3.203 1.00 0.00 C ATOM 624 CG GLU A 455 -2.708 1.776 2.852 1.00 0.00 C ATOM 625 CD GLU A 455 -2.340 2.556 4.115 1.00 0.00 C ATOM 626 OE1 GLU A 455 -2.715 3.731 4.251 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.638 1.900 4.975 1.00 0.00 O ATOM 0 H GLU A 455 -4.091 1.775 5.092 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.286 0.868 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -2.700 -0.029 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.142 -0.277 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -1.828 1.666 2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -3.446 2.335 2.277 1.00 0.00 H new ATOM 635 N CYS A 456 -5.629 -1.079 5.192 1.00 0.00 N ATOM 636 CA CYS A 456 -6.173 -2.344 5.657 1.00 0.00 C ATOM 637 C CYS A 456 -7.657 -2.393 5.284 1.00 0.00 C ATOM 638 O CYS A 456 -8.350 -3.355 5.609 1.00 0.00 O ATOM 639 CB CYS A 456 -5.955 -2.534 7.160 1.00 0.00 C ATOM 640 SG CYS A 456 -7.490 -2.685 8.144 1.00 0.00 S ATOM 0 H CYS A 456 -5.524 -0.368 5.916 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.650 -3.169 5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.351 -3.428 7.315 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -5.379 -1.690 7.539 1.00 0.00 H new ATOM 645 N VAL A 457 -8.100 -1.344 4.607 1.00 0.00 N ATOM 646 CA VAL A 457 -9.488 -1.256 4.188 1.00 0.00 C ATOM 647 C VAL A 457 -9.607 -1.727 2.737 1.00 0.00 C ATOM 648 O VAL A 457 -10.669 -2.182 2.313 1.00 0.00 O ATOM 649 CB VAL A 457 -10.010 0.167 4.399 1.00 0.00 C ATOM 650 CG1 VAL A 457 -9.781 0.626 5.841 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.372 1.138 3.405 1.00 0.00 C ATOM 0 H VAL A 457 -7.522 -0.548 4.338 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.113 -1.910 4.796 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.085 0.161 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.161 1.640 5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.305 -0.043 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -8.714 0.608 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -9.760 2.142 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.290 1.139 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -9.610 0.826 2.388 1.00 0.00 H new ATOM 661 N SER A 458 -8.505 -1.601 2.014 1.00 0.00 N ATOM 662 CA SER A 458 -8.472 -2.007 0.619 1.00 0.00 C ATOM 663 C SER A 458 -7.471 -3.149 0.430 1.00 0.00 C ATOM 664 O SER A 458 -7.278 -3.632 -0.685 1.00 0.00 O ATOM 665 CB SER A 458 -8.115 -0.830 -0.290 1.00 0.00 C ATOM 666 OG SER A 458 -9.153 0.144 -0.336 1.00 0.00 O ATOM 0 H SER A 458 -7.626 -1.223 2.368 1.00 0.00 H new ATOM 0 HA SER A 458 -9.467 -2.355 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 458 -7.196 -0.364 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 458 -7.918 -1.197 -1.297 1.00 0.00 H new ATOM 0 HG SER A 458 -8.885 0.880 -0.925 1.00 0.00 H new ATOM 672 N ASN A 459 -6.861 -3.547 1.536 1.00 0.00 N ATOM 673 CA ASN A 459 -5.883 -4.622 1.505 1.00 0.00 C ATOM 674 C ASN A 459 -5.789 -5.259 2.893 1.00 0.00 C ATOM 675 O ASN A 459 -4.720 -5.284 3.497 1.00 0.00 O ATOM 676 CB ASN A 459 -4.496 -4.096 1.133 1.00 0.00 C ATOM 677 CG ASN A 459 -4.595 -2.970 0.100 1.00 0.00 C ATOM 678 OD1 ASN A 459 -4.215 -3.112 -1.049 1.00 0.00 O ATOM 679 ND2 ASN A 459 -5.128 -1.848 0.575 1.00 0.00 N ATOM 0 H ASN A 459 -7.024 -3.145 2.459 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.205 -5.348 0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -3.990 -3.731 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -3.890 -4.909 0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.239 -1.038 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -5.426 -1.797 1.549 1.00 0.00 H new ATOM 686 N PRO A 460 -6.956 -5.772 3.369 1.00 0.00 N ATOM 687 CA PRO A 460 -7.015 -6.409 4.674 1.00 0.00 C ATOM 688 C PRO A 460 -6.378 -7.800 4.637 1.00 0.00 C ATOM 689 O PRO A 460 -6.271 -8.465 5.665 1.00 0.00 O ATOM 690 CB PRO A 460 -8.492 -6.442 5.030 1.00 0.00 C ATOM 691 CG PRO A 460 -9.240 -6.249 3.719 1.00 0.00 C ATOM 692 CD PRO A 460 -8.243 -5.761 2.682 1.00 0.00 C ATOM 0 HA PRO A 460 -6.448 -5.867 5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.760 -7.390 5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.740 -5.654 5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.697 -7.185 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.047 -5.527 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.231 -6.412 1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -8.495 -4.761 2.331 1.00 0.00 H new ATOM 700 N CYS A 461 -5.972 -8.197 3.440 1.00 0.00 N ATOM 701 CA CYS A 461 -5.350 -9.496 3.253 1.00 0.00 C ATOM 702 C CYS A 461 -6.425 -10.573 3.417 1.00 0.00 C ATOM 703 O CYS A 461 -6.114 -11.727 3.708 1.00 0.00 O ATOM 704 CB CYS A 461 -4.181 -9.707 4.219 1.00 0.00 C ATOM 705 SG CYS A 461 -2.543 -9.233 3.556 1.00 0.00 S ATOM 0 H CYS A 461 -6.062 -7.641 2.590 1.00 0.00 H new ATOM 0 HA CYS A 461 -4.926 -9.557 2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.370 -9.134 5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.151 -10.758 4.507 1.00 0.00 H new ATOM 710 N GLN A 462 -7.668 -10.155 3.222 1.00 0.00 N ATOM 711 CA GLN A 462 -8.791 -11.070 3.344 1.00 0.00 C ATOM 712 C GLN A 462 -9.064 -11.382 4.816 1.00 0.00 C ATOM 713 O GLN A 462 -8.502 -10.742 5.705 1.00 0.00 O ATOM 714 CB GLN A 462 -8.541 -12.354 2.550 1.00 0.00 C ATOM 715 CG GLN A 462 -9.488 -12.452 1.353 1.00 0.00 C ATOM 716 CD GLN A 462 -8.712 -12.673 0.054 1.00 0.00 C ATOM 717 OE1 GLN A 462 -7.685 -13.512 0.174 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -9.023 -12.121 -0.988 1.00 0.00 N flip ATOM 0 H GLN A 462 -7.922 -9.197 2.981 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.674 -10.588 2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -7.508 -12.376 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.678 -13.219 3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.189 -13.273 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -10.078 -11.539 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -9.823 -11.488 -1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -8.483 -12.292 -1.836 1.00 0.00 H new ATOM 727 N ASN A 463 -9.929 -12.363 5.031 1.00 0.00 N ATOM 728 CA ASN A 463 -10.284 -12.765 6.380 1.00 0.00 C ATOM 729 C ASN A 463 -9.361 -13.900 6.829 1.00 0.00 C ATOM 730 O ASN A 463 -9.805 -14.846 7.480 1.00 0.00 O ATOM 731 CB ASN A 463 -11.725 -13.277 6.441 1.00 0.00 C ATOM 732 CG ASN A 463 -11.845 -14.656 5.790 1.00 0.00 C ATOM 733 OD1 ASN A 463 -11.802 -15.685 6.442 1.00 0.00 O ATOM 734 ND2 ASN A 463 -11.999 -14.619 4.468 1.00 0.00 N ATOM 0 H ASN A 463 -10.394 -12.891 4.292 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.182 -11.895 7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -12.052 -13.332 7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -12.386 -12.573 5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -12.089 -15.487 3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.027 -13.722 3.983 1.00 0.00 H new ATOM 741 N ASP A 464 -8.094 -13.770 6.463 1.00 0.00 N ATOM 742 CA ASP A 464 -7.104 -14.772 6.819 1.00 0.00 C ATOM 743 C ASP A 464 -5.782 -14.080 7.155 1.00 0.00 C ATOM 744 O ASP A 464 -4.713 -14.667 6.994 1.00 0.00 O ATOM 745 CB ASP A 464 -6.854 -15.736 5.659 1.00 0.00 C ATOM 746 CG ASP A 464 -7.704 -15.482 4.411 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.848 -15.949 4.314 1.00 0.00 O ATOM 748 OD2 ASP A 464 -7.137 -14.761 3.503 1.00 0.00 O ATOM 0 H ASP A 464 -7.730 -12.985 5.923 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.482 -15.331 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -5.802 -15.680 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -7.039 -16.753 6.005 1.00 0.00 H new ATOM 754 N ALA A 465 -5.898 -12.843 7.614 1.00 0.00 N ATOM 755 CA ALA A 465 -4.723 -12.065 7.973 1.00 0.00 C ATOM 756 C ALA A 465 -5.153 -10.862 8.815 1.00 0.00 C ATOM 757 O ALA A 465 -6.037 -10.104 8.416 1.00 0.00 O ATOM 758 CB ALA A 465 -3.977 -11.653 6.702 1.00 0.00 C ATOM 0 H ALA A 465 -6.787 -12.360 7.746 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.036 -12.660 8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.096 -11.070 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.669 -12.545 6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.633 -11.051 6.074 1.00 0.00 H new ATOM 764 N THR A 466 -4.507 -10.723 9.963 1.00 0.00 N ATOM 765 CA THR A 466 -4.812 -9.625 10.865 1.00 0.00 C ATOM 766 C THR A 466 -4.344 -8.297 10.264 1.00 0.00 C ATOM 767 O THR A 466 -3.144 -8.039 10.179 1.00 0.00 O ATOM 768 CB THR A 466 -4.175 -9.936 12.220 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.116 -10.797 12.856 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.113 -8.710 13.134 1.00 0.00 C ATOM 0 H THR A 466 -3.774 -11.352 10.290 1.00 0.00 H new ATOM 0 HA THR A 466 -5.887 -9.520 11.012 1.00 0.00 H new ATOM 0 HB THR A 466 -3.168 -10.325 12.067 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.782 -11.050 13.742 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.652 -8.986 14.082 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.521 -7.930 12.656 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.122 -8.340 13.315 1.00 0.00 H new ATOM 778 N CYS A 467 -5.316 -7.491 9.864 1.00 0.00 N ATOM 779 CA CYS A 467 -5.019 -6.197 9.275 1.00 0.00 C ATOM 780 C CYS A 467 -4.468 -5.283 10.371 1.00 0.00 C ATOM 781 O CYS A 467 -5.041 -5.194 11.456 1.00 0.00 O ATOM 782 CB CYS A 467 -6.246 -5.592 8.591 1.00 0.00 C ATOM 783 SG CYS A 467 -6.976 -4.154 9.458 1.00 0.00 S ATOM 0 H CYS A 467 -6.310 -7.709 9.936 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.269 -6.315 8.493 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -5.969 -5.288 7.582 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.008 -6.365 8.493 1.00 0.00 H new ATOM 788 N LEU A 468 -3.361 -4.629 10.051 1.00 0.00 N ATOM 789 CA LEU A 468 -2.726 -3.726 10.997 1.00 0.00 C ATOM 790 C LEU A 468 -2.292 -2.454 10.266 1.00 0.00 C ATOM 791 O LEU A 468 -1.219 -2.412 9.668 1.00 0.00 O ATOM 792 CB LEU A 468 -1.586 -4.433 11.731 1.00 0.00 C ATOM 793 CG LEU A 468 -2.000 -5.402 12.838 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.775 -6.008 13.525 1.00 0.00 C ATOM 795 CD2 LEU A 468 -2.941 -4.724 13.837 1.00 0.00 C ATOM 0 H LEU A 468 -2.888 -4.706 9.151 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.433 -3.425 11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.994 -4.981 10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.934 -3.675 12.165 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.552 -6.224 12.382 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.099 -6.693 14.308 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.178 -6.551 12.792 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.174 -5.212 13.965 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.220 -5.435 14.614 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.437 -3.871 14.290 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.837 -4.382 13.319 1.00 0.00 H new ATOM 807 N ASP A 469 -3.149 -1.446 10.339 1.00 0.00 N ATOM 808 CA ASP A 469 -2.868 -0.174 9.692 1.00 0.00 C ATOM 809 C ASP A 469 -1.638 0.462 10.345 1.00 0.00 C ATOM 810 O ASP A 469 -1.599 0.640 11.560 1.00 0.00 O ATOM 811 CB ASP A 469 -4.041 0.794 9.847 1.00 0.00 C ATOM 812 CG ASP A 469 -3.653 2.271 9.949 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.310 3.058 10.647 1.00 0.00 O ATOM 814 OD2 ASP A 469 -2.612 2.608 9.264 1.00 0.00 O ATOM 0 H ASP A 469 -4.039 -1.484 10.836 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.697 -0.364 8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -4.711 0.668 8.997 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.603 0.519 10.739 1.00 0.00 H new ATOM 820 N GLN A 470 -0.668 0.790 9.505 1.00 0.00 N ATOM 821 CA GLN A 470 0.560 1.404 9.984 1.00 0.00 C ATOM 822 C GLN A 470 0.710 2.812 9.405 1.00 0.00 C ATOM 823 O GLN A 470 -0.233 3.355 8.832 1.00 0.00 O ATOM 824 CB GLN A 470 1.775 0.539 9.645 1.00 0.00 C ATOM 825 CG GLN A 470 2.295 -0.189 10.887 1.00 0.00 C ATOM 826 CD GLN A 470 2.501 -1.677 10.605 1.00 0.00 C ATOM 827 OE1 GLN A 470 3.510 -2.099 10.063 1.00 0.00 O ATOM 828 NE2 GLN A 470 1.493 -2.448 11.001 1.00 0.00 N ATOM 0 H GLN A 470 -0.707 0.643 8.496 1.00 0.00 H new ATOM 0 HA GLN A 470 0.504 1.483 11.070 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.506 -0.188 8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 470 2.565 1.163 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 470 3.236 0.258 11.207 1.00 0.00 H new ATOM 0 HG3 GLN A 470 1.588 -0.065 11.708 1.00 0.00 H new ATOM 0 HE21 GLN A 470 0.677 -2.031 11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 470 1.536 -3.457 10.857 1.00 0.00 H new ATOM 837 N ILE A 471 1.903 3.363 9.575 1.00 0.00 N ATOM 838 CA ILE A 471 2.189 4.698 9.076 1.00 0.00 C ATOM 839 C ILE A 471 2.314 4.651 7.552 1.00 0.00 C ATOM 840 O ILE A 471 3.183 3.964 7.017 1.00 0.00 O ATOM 841 CB ILE A 471 3.419 5.279 9.775 1.00 0.00 C ATOM 842 CG1 ILE A 471 4.414 4.177 10.143 1.00 0.00 C ATOM 843 CG2 ILE A 471 3.013 6.114 10.993 1.00 0.00 C ATOM 844 CD1 ILE A 471 4.729 3.297 8.932 1.00 0.00 C ATOM 0 H ILE A 471 2.683 2.910 10.051 1.00 0.00 H new ATOM 0 HA ILE A 471 1.368 5.376 9.309 1.00 0.00 H new ATOM 0 HB ILE A 471 3.924 5.948 9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 471 5.333 4.624 10.522 1.00 0.00 H new ATOM 0 HG13 ILE A 471 4.003 3.564 10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 471 3.906 6.516 11.472 1.00 0.00 H new ATOM 0 HG22 ILE A 471 2.372 6.935 10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 471 2.472 5.486 11.701 1.00 0.00 H new ATOM 0 HD11 ILE A 471 5.439 2.522 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.811 2.833 8.571 1.00 0.00 H new ATOM 0 HD13 ILE A 471 5.162 3.909 8.141 1.00 0.00 H new ATOM 856 N GLY A 472 1.432 5.391 6.896 1.00 0.00 N ATOM 857 CA GLY A 472 1.432 5.443 5.443 1.00 0.00 C ATOM 858 C GLY A 472 1.629 4.048 4.845 1.00 0.00 C ATOM 859 O GLY A 472 2.095 3.914 3.715 1.00 0.00 O ATOM 0 H GLY A 472 0.713 5.959 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.490 5.864 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 472 2.226 6.106 5.099 1.00 0.00 H new ATOM 863 N GLU A 473 1.265 3.045 5.630 1.00 0.00 N ATOM 864 CA GLU A 473 1.397 1.665 5.191 1.00 0.00 C ATOM 865 C GLU A 473 0.682 0.729 6.168 1.00 0.00 C ATOM 866 O GLU A 473 0.527 1.052 7.345 1.00 0.00 O ATOM 867 CB GLU A 473 2.867 1.278 5.035 1.00 0.00 C ATOM 868 CG GLU A 473 3.519 1.041 6.400 1.00 0.00 C ATOM 869 CD GLU A 473 4.042 -0.392 6.516 1.00 0.00 C ATOM 870 OE1 GLU A 473 3.452 -1.212 7.234 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.103 -0.643 5.826 1.00 0.00 O ATOM 0 H GLU A 473 0.879 3.160 6.567 1.00 0.00 H new ATOM 0 HA GLU A 473 0.926 1.567 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.947 0.376 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.400 2.067 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 473 4.340 1.744 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.794 1.233 7.191 1.00 0.00 H new ATOM 879 N PHE A 474 0.266 -0.415 5.643 1.00 0.00 N ATOM 880 CA PHE A 474 -0.429 -1.400 6.453 1.00 0.00 C ATOM 881 C PHE A 474 0.327 -2.731 6.464 1.00 0.00 C ATOM 882 O PHE A 474 1.180 -2.971 5.610 1.00 0.00 O ATOM 883 CB PHE A 474 -1.804 -1.614 5.818 1.00 0.00 C ATOM 884 CG PHE A 474 -1.768 -2.395 4.503 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.328 -1.793 3.366 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.177 -3.693 4.471 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.294 -2.519 2.145 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.143 -4.418 3.252 1.00 0.00 C ATOM 889 CZ PHE A 474 -1.703 -3.816 2.114 1.00 0.00 C ATOM 0 H PHE A 474 0.397 -0.681 4.667 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.507 -1.047 7.481 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.441 -2.144 6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.265 -0.643 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.004 -0.763 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -2.527 -4.171 5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -0.944 -2.041 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.466 -5.448 3.227 1.00 0.00 H new ATOM 0 HZ PHE A 474 -1.678 -4.368 1.186 1.00 0.00 H new ATOM 899 N GLN A 475 -0.013 -3.561 7.438 1.00 0.00 N ATOM 900 CA GLN A 475 0.621 -4.861 7.571 1.00 0.00 C ATOM 901 C GLN A 475 -0.401 -5.909 8.015 1.00 0.00 C ATOM 902 O GLN A 475 -1.175 -5.671 8.941 1.00 0.00 O ATOM 903 CB GLN A 475 1.801 -4.798 8.543 1.00 0.00 C ATOM 904 CG GLN A 475 1.649 -5.838 9.656 1.00 0.00 C ATOM 905 CD GLN A 475 2.913 -5.910 10.515 1.00 0.00 C ATOM 906 OE1 GLN A 475 2.982 -6.990 11.287 1.00 0.00 O flip ATOM 907 NE2 GLN A 475 3.771 -5.043 10.477 1.00 0.00 N flip ATOM 0 H GLN A 475 -0.721 -3.358 8.144 1.00 0.00 H new ATOM 0 HA GLN A 475 1.011 -5.154 6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.732 -4.971 8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 475 1.866 -3.801 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.794 -5.584 10.282 1.00 0.00 H new ATOM 0 HG3 GLN A 475 1.445 -6.816 9.220 1.00 0.00 H new ATOM 0 HE21 GLN A 475 3.656 -4.238 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 475 4.603 -5.123 11.061 1.00 0.00 H new ATOM 916 N CYS A 476 -0.371 -7.046 7.336 1.00 0.00 N ATOM 917 CA CYS A 476 -1.284 -8.130 7.650 1.00 0.00 C ATOM 918 C CYS A 476 -0.458 -9.368 8.001 1.00 0.00 C ATOM 919 O CYS A 476 0.408 -9.781 7.230 1.00 0.00 O ATOM 920 CB CYS A 476 -2.258 -8.400 6.499 1.00 0.00 C ATOM 921 SG CYS A 476 -1.594 -8.040 4.832 1.00 0.00 S ATOM 0 H CYS A 476 0.272 -7.240 6.569 1.00 0.00 H new ATOM 0 HA CYS A 476 -1.901 -7.853 8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.561 -9.446 6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.156 -7.802 6.654 1.00 0.00 H new ATOM 926 N ILE A 477 -0.755 -9.929 9.164 1.00 0.00 N ATOM 927 CA ILE A 477 -0.052 -11.112 9.626 1.00 0.00 C ATOM 928 C ILE A 477 -0.683 -12.356 8.996 1.00 0.00 C ATOM 929 O ILE A 477 -1.885 -12.380 8.736 1.00 0.00 O ATOM 930 CB ILE A 477 -0.012 -11.150 11.155 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.876 -10.033 11.707 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.420 -12.529 11.659 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.211 -9.973 10.962 1.00 0.00 C ATOM 0 H ILE A 477 -1.474 -9.585 9.800 1.00 0.00 H new ATOM 0 HA ILE A 477 0.989 -11.085 9.304 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.021 -10.974 11.528 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.362 -9.076 11.616 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.056 -10.198 12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.440 -12.528 12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -0.287 -13.282 11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.415 -12.760 11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.822 -9.170 11.375 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.734 -10.923 11.076 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.029 -9.783 9.904 1.00 0.00 H new ATOM 945 N CYS A 478 0.154 -13.357 8.770 1.00 0.00 N ATOM 946 CA CYS A 478 -0.307 -14.600 8.177 1.00 0.00 C ATOM 947 C CYS A 478 -0.425 -15.647 9.287 1.00 0.00 C ATOM 948 O CYS A 478 0.369 -15.654 10.226 1.00 0.00 O ATOM 949 CB CYS A 478 0.615 -15.064 7.048 1.00 0.00 C ATOM 950 SG CYS A 478 0.153 -16.664 6.291 1.00 0.00 S ATOM 0 H CYS A 478 1.150 -13.332 8.987 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.284 -14.448 7.719 1.00 0.00 H new ATOM 0 HB2 CYS A 478 0.627 -14.300 6.271 1.00 0.00 H new ATOM 0 HB3 CYS A 478 1.631 -15.141 7.436 1.00 0.00 H new ATOM 955 N MET A 479 -1.422 -16.508 9.141 1.00 0.00 N ATOM 956 CA MET A 479 -1.654 -17.557 10.118 1.00 0.00 C ATOM 957 C MET A 479 -0.820 -18.800 9.797 1.00 0.00 C ATOM 958 O MET A 479 -0.488 -19.046 8.638 1.00 0.00 O ATOM 959 CB MET A 479 -3.137 -17.927 10.128 1.00 0.00 C ATOM 960 CG MET A 479 -3.574 -18.484 8.772 1.00 0.00 C ATOM 961 SD MET A 479 -4.178 -20.153 8.961 1.00 0.00 S ATOM 962 CE MET A 479 -5.815 -19.820 9.590 1.00 0.00 C ATOM 0 H MET A 479 -2.078 -16.500 8.360 1.00 0.00 H new ATOM 0 HA MET A 479 -1.357 -17.186 11.099 1.00 0.00 H new ATOM 0 HB2 MET A 479 -3.325 -18.666 10.906 1.00 0.00 H new ATOM 0 HB3 MET A 479 -3.733 -17.048 10.373 1.00 0.00 H new ATOM 0 HG2 MET A 479 -4.353 -17.853 8.345 1.00 0.00 H new ATOM 0 HG3 MET A 479 -2.735 -18.469 8.076 1.00 0.00 H new ATOM 0 HE1 MET A 479 -6.336 -20.761 9.765 1.00 0.00 H new ATOM 0 HE2 MET A 479 -5.739 -19.267 10.527 1.00 0.00 H new ATOM 0 HE3 MET A 479 -6.371 -19.228 8.863 1.00 0.00 H new ATOM 972 N PRO A 480 -0.498 -19.570 10.870 1.00 0.00 N ATOM 973 CA PRO A 480 0.290 -20.780 10.715 1.00 0.00 C ATOM 974 C PRO A 480 -0.551 -21.909 10.114 1.00 0.00 C ATOM 975 O PRO A 480 -0.772 -22.933 10.758 1.00 0.00 O ATOM 976 CB PRO A 480 0.803 -21.099 12.110 1.00 0.00 C ATOM 977 CG PRO A 480 -0.090 -20.328 13.067 1.00 0.00 C ATOM 978 CD PRO A 480 -0.874 -19.309 12.257 1.00 0.00 C ATOM 0 HA PRO A 480 1.120 -20.654 10.020 1.00 0.00 H new ATOM 0 HB2 PRO A 480 0.756 -22.170 12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 480 1.845 -20.800 12.221 1.00 0.00 H new ATOM 0 HG2 PRO A 480 -0.768 -21.006 13.586 1.00 0.00 H new ATOM 0 HG3 PRO A 480 0.509 -19.830 13.830 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -1.947 -19.426 12.405 1.00 0.00 H new ATOM 0 HD3 PRO A 480 -0.621 -18.290 12.551 1.00 0.00 H new ATOM 986 N GLY A 481 -0.999 -21.682 8.888 1.00 0.00 N ATOM 987 CA GLY A 481 -1.811 -22.667 8.194 1.00 0.00 C ATOM 988 C GLY A 481 -1.820 -22.406 6.686 1.00 0.00 C ATOM 989 O GLY A 481 -1.730 -23.340 5.891 1.00 0.00 O ATOM 0 H GLY A 481 -0.815 -20.830 8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 481 -1.424 -23.667 8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -2.831 -22.638 8.578 1.00 0.00 H new ATOM 993 N TYR A 482 -1.928 -21.133 6.340 1.00 0.00 N ATOM 994 CA TYR A 482 -1.950 -20.738 4.941 1.00 0.00 C ATOM 995 C TYR A 482 -0.792 -19.791 4.621 1.00 0.00 C ATOM 996 O TYR A 482 -0.089 -19.336 5.523 1.00 0.00 O ATOM 997 CB TYR A 482 -3.272 -19.995 4.733 1.00 0.00 C ATOM 998 CG TYR A 482 -4.498 -20.908 4.690 1.00 0.00 C ATOM 999 CD1 TYR A 482 -4.892 -21.590 5.824 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -5.210 -21.051 3.517 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -6.047 -22.450 5.783 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -6.365 -21.911 3.476 1.00 0.00 C ATOM 1003 CZ TYR A 482 -6.726 -22.568 4.611 1.00 0.00 C ATOM 1004 OH TYR A 482 -7.816 -23.380 4.572 1.00 0.00 O ATOM 0 H TYR A 482 -2.001 -20.361 7.003 1.00 0.00 H new ATOM 0 HA TYR A 482 -1.854 -21.610 4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -3.400 -19.270 5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -3.218 -19.432 3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -4.334 -21.479 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -4.902 -20.518 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -6.366 -22.989 6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -6.932 -22.031 2.564 1.00 0.00 H new ATOM 0 HH TYR A 482 -8.202 -23.366 3.671 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.628 -19.522 3.333 1.00 0.00 N ATOM 1015 CA GLU A 483 0.433 -18.638 2.883 1.00 0.00 C ATOM 1016 C GLU A 483 0.005 -17.896 1.615 1.00 0.00 C ATOM 1017 O GLU A 483 -1.117 -18.067 1.141 1.00 0.00 O ATOM 1018 CB GLU A 483 1.732 -19.412 2.653 1.00 0.00 C ATOM 1019 CG GLU A 483 2.950 -18.571 3.041 1.00 0.00 C ATOM 1020 CD GLU A 483 4.046 -18.670 1.979 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.900 -19.567 2.050 1.00 0.00 O ATOM 1022 OE2 GLU A 483 3.991 -17.774 1.052 1.00 0.00 O ATOM 0 H GLU A 483 -1.212 -19.901 2.588 1.00 0.00 H new ATOM 0 HA GLU A 483 0.621 -17.902 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.720 -20.331 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.805 -19.702 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.653 -17.530 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.338 -18.909 4.002 1.00 0.00 H new ATOM 1030 N GLY A 484 0.921 -17.088 1.102 1.00 0.00 N ATOM 1031 CA GLY A 484 0.651 -16.321 -0.101 1.00 0.00 C ATOM 1032 C GLY A 484 0.602 -14.822 0.203 1.00 0.00 C ATOM 1033 O GLY A 484 1.072 -14.382 1.252 1.00 0.00 O ATOM 0 H GLY A 484 1.851 -16.948 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.423 -16.520 -0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.297 -16.639 -0.534 1.00 0.00 H new ATOM 1037 N VAL A 485 0.029 -14.078 -0.732 1.00 0.00 N ATOM 1038 CA VAL A 485 -0.088 -12.638 -0.576 1.00 0.00 C ATOM 1039 C VAL A 485 -1.264 -12.324 0.351 1.00 0.00 C ATOM 1040 O VAL A 485 -1.207 -11.374 1.131 1.00 0.00 O ATOM 1041 CB VAL A 485 -0.211 -11.973 -1.947 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -1.564 -11.271 -2.097 1.00 0.00 C ATOM 1043 CG2 VAL A 485 0.941 -10.996 -2.189 1.00 0.00 C ATOM 0 H VAL A 485 -0.359 -14.446 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 485 0.809 -12.229 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 485 -0.152 -12.755 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -1.626 -10.806 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -2.366 -12.001 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -1.664 -10.506 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 485 0.829 -10.537 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 485 0.928 -10.221 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 485 1.889 -11.533 -2.145 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.303 -13.138 0.234 1.00 0.00 N ATOM 1054 CA HIS A 486 -3.490 -12.958 1.051 1.00 0.00 C ATOM 1055 C HIS A 486 -3.556 -14.062 2.109 1.00 0.00 C ATOM 1056 O HIS A 486 -4.542 -14.170 2.838 1.00 0.00 O ATOM 1057 CB HIS A 486 -4.745 -12.897 0.179 1.00 0.00 C ATOM 1058 CG HIS A 486 -4.463 -12.875 -1.303 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -3.888 -13.808 -2.116 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -4.781 -11.798 -2.112 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -3.857 -13.327 -3.353 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -4.410 -12.081 -3.353 1.00 0.00 N flip ATOM 0 H HIS A 486 -2.347 -13.924 -0.415 1.00 0.00 H new ATOM 0 HA HIS A 486 -3.435 -12.003 1.574 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.374 -13.757 0.406 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -5.315 -12.006 0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -5.252 -10.882 -1.787 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -3.459 -13.839 -4.217 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -4.519 -11.473 -4.165 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.496 -14.853 2.161 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.421 -15.943 3.118 1.00 0.00 C ATOM 1072 C CYS A 487 -3.761 -16.683 3.109 1.00 0.00 C ATOM 1073 O CYS A 487 -4.251 -17.096 4.159 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.052 -15.444 4.517 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.721 -16.765 5.740 1.00 0.00 S ATOM 0 H CYS A 487 -1.681 -14.761 1.555 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.626 -16.630 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -1.169 -14.810 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.863 -14.818 4.890 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.314 -16.824 1.915 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.588 -17.506 1.757 1.00 0.00 C ATOM 1082 C GLU A 488 -5.395 -18.824 1.006 1.00 0.00 C ATOM 1083 O GLU A 488 -6.355 -19.559 0.777 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.603 -16.612 1.041 1.00 0.00 C ATOM 1085 CG GLU A 488 -6.247 -16.454 -0.439 1.00 0.00 C ATOM 1086 CD GLU A 488 -7.465 -16.716 -1.326 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.346 -17.504 -0.953 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -7.478 -16.067 -2.441 1.00 0.00 O ATOM 0 H GLU A 488 -3.904 -16.478 1.047 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.984 -17.729 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.601 -17.041 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.631 -15.633 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -5.870 -15.448 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -5.447 -17.146 -0.700 1.00 0.00 H new ATOM 1096 N VAL A 489 -4.147 -19.085 0.644 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.815 -20.303 -0.075 1.00 0.00 C ATOM 1098 C VAL A 489 -3.504 -21.416 0.929 1.00 0.00 C ATOM 1099 O VAL A 489 -2.611 -21.272 1.761 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.666 -20.039 -1.051 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.640 -18.571 -1.483 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -1.325 -20.455 -0.443 1.00 0.00 C ATOM 0 H VAL A 489 -3.354 -18.473 0.835 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.663 -20.635 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 489 -2.835 -20.647 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -1.814 -18.410 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -3.580 -18.319 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.507 -17.936 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -0.525 -20.257 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -1.147 -19.886 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -1.347 -21.519 -0.208 1.00 0.00 H new ATOM 1112 N ASN A 490 -4.256 -22.499 0.815 1.00 0.00 N ATOM 1113 CA ASN A 490 -4.072 -23.635 1.702 1.00 0.00 C ATOM 1114 C ASN A 490 -2.845 -24.432 1.254 1.00 0.00 C ATOM 1115 O ASN A 490 -2.952 -25.318 0.407 1.00 0.00 O ATOM 1116 CB ASN A 490 -5.284 -24.569 1.661 1.00 0.00 C ATOM 1117 CG ASN A 490 -5.780 -24.759 0.227 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -5.091 -24.480 -0.739 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -7.014 -25.251 0.143 1.00 0.00 N ATOM 0 H ASN A 490 -4.995 -22.615 0.121 1.00 0.00 H new ATOM 0 HA ASN A 490 -3.945 -23.254 2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -5.018 -25.536 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -6.085 -24.158 2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -7.436 -25.416 -0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -7.537 -25.463 0.992 1.00 0.00 H new ATOM 1126 N THR A 491 -1.709 -24.090 1.842 1.00 0.00 N ATOM 1127 CA THR A 491 -0.464 -24.763 1.515 1.00 0.00 C ATOM 1128 C THR A 491 -0.254 -24.787 0.000 1.00 0.00 C ATOM 1129 O THR A 491 -1.160 -24.450 -0.762 1.00 0.00 O ATOM 1130 CB THR A 491 -0.499 -26.157 2.145 1.00 0.00 C ATOM 1131 OG1 THR A 491 0.800 -26.685 1.894 1.00 0.00 O ATOM 1132 CG2 THR A 491 -1.439 -27.111 1.406 1.00 0.00 C ATOM 0 H THR A 491 -1.624 -23.355 2.544 1.00 0.00 H new ATOM 0 HA THR A 491 0.393 -24.228 1.923 1.00 0.00 H new ATOM 0 HB THR A 491 -0.810 -26.076 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 491 0.865 -27.587 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 491 -1.426 -28.085 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 491 -2.452 -26.710 1.424 1.00 0.00 H new ATOM 0 HG23 THR A 491 -1.109 -27.219 0.373 1.00 0.00 H new ATOM 1140 N ASP A 492 0.945 -25.190 -0.394 1.00 0.00 N ATOM 1141 CA ASP A 492 1.286 -25.263 -1.804 1.00 0.00 C ATOM 1142 C ASP A 492 1.007 -26.676 -2.320 1.00 0.00 C ATOM 1143 O ASP A 492 0.885 -27.614 -1.534 1.00 0.00 O ATOM 1144 CB ASP A 492 2.769 -24.962 -2.029 1.00 0.00 C ATOM 1145 CG ASP A 492 3.133 -24.533 -3.453 1.00 0.00 C ATOM 1146 OD1 ASP A 492 3.094 -23.340 -3.788 1.00 0.00 O ATOM 1147 OD2 ASP A 492 3.472 -25.495 -4.242 1.00 0.00 O ATOM 0 H ASP A 492 1.693 -25.470 0.240 1.00 0.00 H new ATOM 0 HA ASP A 492 0.684 -24.525 -2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 492 3.073 -24.175 -1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 492 3.347 -25.850 -1.774 1.00 0.00 H new ATOM 1153 N GLU A 493 0.915 -26.784 -3.637 1.00 0.00 N ATOM 1154 CA GLU A 493 0.652 -28.067 -4.267 1.00 0.00 C ATOM 1155 C GLU A 493 1.401 -28.169 -5.597 1.00 0.00 C ATOM 1156 O GLU A 493 0.977 -28.891 -6.498 1.00 0.00 O ATOM 1157 CB GLU A 493 -0.850 -28.283 -4.465 1.00 0.00 C ATOM 1158 CG GLU A 493 -1.495 -27.070 -5.136 1.00 0.00 C ATOM 1159 CD GLU A 493 -1.965 -26.052 -4.095 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -3.070 -26.186 -3.552 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -1.135 -25.094 -3.857 1.00 0.00 O ATOM 0 H GLU A 493 1.018 -26.004 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 493 1.015 -28.855 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -1.016 -29.171 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -1.325 -28.465 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -0.780 -26.601 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -2.342 -27.393 -5.742 1.00 0.00 H new ATOM 1169 N CYS A 494 2.500 -27.435 -5.678 1.00 0.00 N ATOM 1170 CA CYS A 494 3.312 -27.433 -6.883 1.00 0.00 C ATOM 1171 C CYS A 494 4.574 -28.254 -6.613 1.00 0.00 C ATOM 1172 O CYS A 494 5.606 -28.039 -7.247 1.00 0.00 O ATOM 1173 CB CYS A 494 3.643 -26.010 -7.339 1.00 0.00 C ATOM 1174 SG CYS A 494 5.165 -25.305 -6.610 1.00 0.00 S ATOM 0 H CYS A 494 2.848 -26.837 -4.928 1.00 0.00 H new ATOM 0 HA CYS A 494 2.754 -27.886 -7.702 1.00 0.00 H new ATOM 0 HB2 CYS A 494 3.741 -26.005 -8.425 1.00 0.00 H new ATOM 0 HB3 CYS A 494 2.804 -25.360 -7.092 1.00 0.00 H new ATOM 1179 N ALA A 495 4.451 -29.178 -5.672 1.00 0.00 N ATOM 1180 CA ALA A 495 5.569 -30.032 -5.310 1.00 0.00 C ATOM 1181 C ALA A 495 5.836 -31.023 -6.445 1.00 0.00 C ATOM 1182 O ALA A 495 6.969 -31.458 -6.641 1.00 0.00 O ATOM 1183 CB ALA A 495 5.268 -30.732 -3.983 1.00 0.00 C ATOM 0 H ALA A 495 3.593 -29.354 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 495 6.474 -29.441 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 495 6.107 -31.373 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 495 5.115 -29.985 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 495 4.368 -31.337 -4.087 1.00 0.00 H new ATOM 1189 N SER A 496 4.770 -31.352 -7.161 1.00 0.00 N ATOM 1190 CA SER A 496 4.875 -32.284 -8.271 1.00 0.00 C ATOM 1191 C SER A 496 5.564 -31.610 -9.459 1.00 0.00 C ATOM 1192 O SER A 496 6.679 -31.977 -9.825 1.00 0.00 O ATOM 1193 CB SER A 496 3.497 -32.806 -8.684 1.00 0.00 C ATOM 1194 OG SER A 496 3.297 -34.160 -8.286 1.00 0.00 O ATOM 0 H SER A 496 3.831 -30.990 -6.994 1.00 0.00 H new ATOM 0 HA SER A 496 5.475 -33.134 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 496 2.724 -32.180 -8.239 1.00 0.00 H new ATOM 0 HB3 SER A 496 3.389 -32.726 -9.766 1.00 0.00 H new ATOM 0 HG SER A 496 2.406 -34.455 -8.566 1.00 0.00 H new ATOM 1200 N SER A 497 4.871 -30.633 -10.028 1.00 0.00 N ATOM 1201 CA SER A 497 5.403 -29.904 -11.166 1.00 0.00 C ATOM 1202 C SER A 497 5.386 -28.401 -10.879 1.00 0.00 C ATOM 1203 O SER A 497 4.401 -27.722 -11.166 1.00 0.00 O ATOM 1204 CB SER A 497 4.607 -30.210 -12.437 1.00 0.00 C ATOM 1205 OG SER A 497 5.193 -31.267 -13.191 1.00 0.00 O ATOM 0 H SER A 497 3.946 -30.330 -9.722 1.00 0.00 H new ATOM 0 HA SER A 497 6.432 -30.225 -11.327 1.00 0.00 H new ATOM 0 HB2 SER A 497 3.585 -30.479 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.549 -29.313 -13.054 1.00 0.00 H new ATOM 0 HG SER A 497 4.655 -31.434 -13.993 1.00 0.00 H new ATOM 1211 N PRO A 498 6.515 -27.913 -10.298 1.00 0.00 N ATOM 1212 CA PRO A 498 6.638 -26.504 -9.968 1.00 0.00 C ATOM 1213 C PRO A 498 6.881 -25.666 -11.225 1.00 0.00 C ATOM 1214 O PRO A 498 6.753 -24.443 -11.195 1.00 0.00 O ATOM 1215 CB PRO A 498 7.787 -26.432 -8.975 1.00 0.00 C ATOM 1216 CG PRO A 498 8.562 -27.729 -9.140 1.00 0.00 C ATOM 1217 CD PRO A 498 7.699 -28.689 -9.943 1.00 0.00 C ATOM 0 HA PRO A 498 5.727 -26.092 -9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 498 8.422 -25.569 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 498 7.416 -26.326 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 498 9.507 -27.546 -9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 498 8.803 -28.156 -8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 498 8.222 -29.043 -10.832 1.00 0.00 H new ATOM 0 HD3 PRO A 498 7.435 -29.569 -9.357 1.00 0.00 H new ATOM 1225 N CYS A 499 7.228 -26.358 -12.302 1.00 0.00 N ATOM 1226 CA CYS A 499 7.488 -25.693 -13.566 1.00 0.00 C ATOM 1227 C CYS A 499 8.293 -24.422 -13.284 1.00 0.00 C ATOM 1228 O CYS A 499 7.877 -23.325 -13.652 1.00 0.00 O ATOM 1229 CB CYS A 499 6.196 -25.393 -14.326 1.00 0.00 C ATOM 1230 SG CYS A 499 4.761 -26.417 -13.835 1.00 0.00 S ATOM 0 H CYS A 499 7.335 -27.372 -12.324 1.00 0.00 H new ATOM 0 HA CYS A 499 8.066 -26.353 -14.213 1.00 0.00 H new ATOM 0 HB2 CYS A 499 5.942 -24.343 -14.182 1.00 0.00 H new ATOM 0 HB3 CYS A 499 6.377 -25.533 -15.392 1.00 0.00 H new ATOM 1235 N LEU A 500 9.431 -24.613 -12.634 1.00 0.00 N ATOM 1236 CA LEU A 500 10.299 -23.497 -12.298 1.00 0.00 C ATOM 1237 C LEU A 500 11.142 -23.125 -13.519 1.00 0.00 C ATOM 1238 O LEU A 500 11.251 -23.906 -14.462 1.00 0.00 O ATOM 1239 CB LEU A 500 11.127 -23.817 -11.052 1.00 0.00 C ATOM 1240 CG LEU A 500 11.423 -22.639 -10.123 1.00 0.00 C ATOM 1241 CD1 LEU A 500 10.143 -22.130 -9.456 1.00 0.00 C ATOM 1242 CD2 LEU A 500 12.496 -23.009 -9.095 1.00 0.00 C ATOM 0 H LEU A 500 9.773 -25.525 -12.331 1.00 0.00 H new ATOM 0 HA LEU A 500 9.707 -22.619 -12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 500 10.604 -24.583 -10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 500 12.075 -24.249 -11.371 1.00 0.00 H new ATOM 0 HG LEU A 500 11.819 -21.821 -10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 500 10.382 -21.292 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 500 9.439 -21.802 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 500 9.694 -22.932 -8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 500 12.688 -22.154 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 500 12.150 -23.850 -8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 500 13.415 -23.286 -9.612 1.00 0.00 H new ATOM 1254 N HIS A 501 11.715 -21.932 -13.462 1.00 0.00 N ATOM 1255 CA HIS A 501 12.545 -21.448 -14.551 1.00 0.00 C ATOM 1256 C HIS A 501 11.670 -21.162 -15.775 1.00 0.00 C ATOM 1257 O HIS A 501 11.644 -20.039 -16.276 1.00 0.00 O ATOM 1258 CB HIS A 501 13.678 -22.431 -14.850 1.00 0.00 C ATOM 1259 CG HIS A 501 14.952 -22.148 -14.091 1.00 0.00 C ATOM 1260 ND1 HIS A 501 16.208 -22.409 -14.611 1.00 0.00 N ATOM 1261 CD2 HIS A 501 15.152 -21.623 -12.848 1.00 0.00 C ATOM 1262 CE1 HIS A 501 17.115 -22.055 -13.713 1.00 0.00 C ATOM 1263 NE2 HIS A 501 16.458 -21.568 -12.620 1.00 0.00 N ATOM 0 H HIS A 501 11.621 -21.286 -12.678 1.00 0.00 H new ATOM 0 HA HIS A 501 13.022 -20.512 -14.261 1.00 0.00 H new ATOM 0 HB2 HIS A 501 13.342 -23.440 -14.612 1.00 0.00 H new ATOM 0 HB3 HIS A 501 13.891 -22.410 -15.919 1.00 0.00 H new ATOM 0 HD2 HIS A 501 14.378 -21.306 -12.165 1.00 0.00 H new ATOM 0 HE1 HIS A 501 18.186 -22.137 -13.826 1.00 0.00 H new ATOM 0 HE2 HIS A 501 16.898 -21.219 -11.769 1.00 0.00 H new ATOM 1271 N ASN A 502 10.974 -22.199 -16.220 1.00 0.00 N ATOM 1272 CA ASN A 502 10.102 -22.073 -17.375 1.00 0.00 C ATOM 1273 C ASN A 502 8.768 -21.463 -16.938 1.00 0.00 C ATOM 1274 O ASN A 502 7.844 -21.344 -17.738 1.00 0.00 O ATOM 1275 CB ASN A 502 9.814 -23.440 -17.999 1.00 0.00 C ATOM 1276 CG ASN A 502 11.045 -24.347 -17.923 1.00 0.00 C ATOM 1277 OD1 ASN A 502 12.159 -23.949 -18.220 1.00 0.00 O ATOM 1278 ND2 ASN A 502 10.781 -25.584 -17.511 1.00 0.00 N ATOM 0 H ASN A 502 10.997 -23.129 -15.802 1.00 0.00 H new ATOM 0 HA ASN A 502 10.602 -21.440 -18.108 1.00 0.00 H new ATOM 0 HB2 ASN A 502 8.978 -23.911 -17.482 1.00 0.00 H new ATOM 0 HB3 ASN A 502 9.515 -23.313 -19.039 1.00 0.00 H new ATOM 0 HD21 ASN A 502 11.535 -26.266 -17.428 1.00 0.00 H new ATOM 0 HD22 ASN A 502 9.824 -25.851 -17.278 1.00 0.00 H new ATOM 1285 N GLY A 503 8.712 -21.095 -15.665 1.00 0.00 N ATOM 1286 CA GLY A 503 7.506 -20.503 -15.111 1.00 0.00 C ATOM 1287 C GLY A 503 7.494 -20.611 -13.585 1.00 0.00 C ATOM 1288 O GLY A 503 8.445 -21.110 -12.987 1.00 0.00 O ATOM 0 H GLY A 503 9.481 -21.195 -15.003 1.00 0.00 H new ATOM 0 HA2 GLY A 503 7.442 -19.456 -15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 503 6.629 -21.004 -15.522 1.00 0.00 H new ATOM 1292 N ARG A 504 6.405 -20.136 -12.999 1.00 0.00 N ATOM 1293 CA ARG A 504 6.256 -20.174 -11.555 1.00 0.00 C ATOM 1294 C ARG A 504 4.901 -20.779 -11.176 1.00 0.00 C ATOM 1295 O ARG A 504 3.890 -20.494 -11.816 1.00 0.00 O ATOM 1296 CB ARG A 504 6.366 -18.771 -10.952 1.00 0.00 C ATOM 1297 CG ARG A 504 7.665 -18.616 -10.158 1.00 0.00 C ATOM 1298 CD ARG A 504 7.447 -18.941 -8.680 1.00 0.00 C ATOM 1299 NE ARG A 504 8.741 -18.932 -7.963 1.00 0.00 N ATOM 1300 CZ ARG A 504 8.910 -19.373 -6.699 1.00 0.00 C ATOM 1301 NH1 ARG A 504 7.863 -19.863 -5.998 1.00 0.00 N ATOM 1302 NH2 ARG A 504 10.111 -19.318 -6.155 1.00 0.00 N ATOM 0 H ARG A 504 5.617 -19.723 -13.498 1.00 0.00 H new ATOM 0 HA ARG A 504 7.059 -20.793 -11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 504 6.330 -18.026 -11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 504 5.513 -18.583 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 504 8.428 -19.276 -10.570 1.00 0.00 H new ATOM 0 HG3 ARG A 504 8.037 -17.596 -10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 504 6.770 -18.212 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 504 6.973 -19.918 -8.580 1.00 0.00 H new ATOM 0 HE ARG A 504 9.557 -18.569 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 504 6.937 -19.901 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 504 7.999 -20.194 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 504 10.896 -18.946 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 504 10.254 -19.648 -5.200 1.00 0.00 H new ATOM 1315 N CYS A 505 4.927 -21.601 -10.138 1.00 0.00 N ATOM 1316 CA CYS A 505 3.714 -22.249 -9.667 1.00 0.00 C ATOM 1317 C CYS A 505 2.954 -21.258 -8.782 1.00 0.00 C ATOM 1318 O CYS A 505 3.510 -20.721 -7.825 1.00 0.00 O ATOM 1319 CB CYS A 505 4.020 -23.555 -8.930 1.00 0.00 C ATOM 1320 SG CYS A 505 5.125 -23.380 -7.484 1.00 0.00 S ATOM 0 H CYS A 505 5.768 -21.834 -9.610 1.00 0.00 H new ATOM 0 HA CYS A 505 3.092 -22.526 -10.518 1.00 0.00 H new ATOM 0 HB2 CYS A 505 3.080 -23.998 -8.600 1.00 0.00 H new ATOM 0 HB3 CYS A 505 4.473 -24.255 -9.633 1.00 0.00 H new ATOM 1325 N LEU A 506 1.694 -21.048 -9.132 1.00 0.00 N ATOM 1326 CA LEU A 506 0.851 -20.133 -8.381 1.00 0.00 C ATOM 1327 C LEU A 506 0.090 -20.911 -7.305 1.00 0.00 C ATOM 1328 O LEU A 506 -0.494 -21.957 -7.588 1.00 0.00 O ATOM 1329 CB LEU A 506 -0.057 -19.343 -9.326 1.00 0.00 C ATOM 1330 CG LEU A 506 0.232 -17.844 -9.436 1.00 0.00 C ATOM 1331 CD1 LEU A 506 1.683 -17.595 -9.854 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -0.761 -17.163 -10.380 1.00 0.00 C ATOM 0 H LEU A 506 1.236 -21.496 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 506 1.461 -19.391 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 506 0.018 -19.781 -10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -1.089 -19.471 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 506 0.099 -17.397 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 506 1.862 -16.522 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 506 2.355 -18.027 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 506 1.867 -18.058 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -0.534 -16.099 -10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -0.683 -17.608 -11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -1.774 -17.297 -10.001 1.00 0.00 H new ATOM 1344 N ASP A 507 0.123 -20.373 -6.096 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.556 -21.005 -4.977 1.00 0.00 C ATOM 1346 C ASP A 507 -2.045 -20.656 -5.028 1.00 0.00 C ATOM 1347 O ASP A 507 -2.454 -19.593 -4.559 1.00 0.00 O ATOM 1348 CB ASP A 507 0.001 -20.506 -3.642 1.00 0.00 C ATOM 1349 CG ASP A 507 0.349 -21.604 -2.635 1.00 0.00 C ATOM 1350 OD1 ASP A 507 1.369 -21.530 -1.935 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -0.491 -22.584 -2.586 1.00 0.00 O ATOM 0 H ASP A 507 0.609 -19.506 -5.866 1.00 0.00 H new ATOM 0 HA ASP A 507 -0.402 -22.081 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 507 0.896 -19.916 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.730 -19.836 -3.188 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.816 -21.570 -5.599 1.00 0.00 N ATOM 1358 CA LYS A 508 -4.250 -21.373 -5.717 1.00 0.00 C ATOM 1359 C LYS A 508 -4.968 -22.275 -4.711 1.00 0.00 C ATOM 1360 O LYS A 508 -4.502 -23.374 -4.415 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.704 -21.580 -7.162 1.00 0.00 C ATOM 1362 CG LYS A 508 -3.931 -20.665 -8.116 1.00 0.00 C ATOM 1363 CD LYS A 508 -4.417 -19.218 -8.001 1.00 0.00 C ATOM 1364 CE LYS A 508 -5.114 -18.771 -9.288 1.00 0.00 C ATOM 1365 NZ LYS A 508 -6.428 -18.166 -8.981 1.00 0.00 N ATOM 0 H LYS A 508 -2.474 -22.450 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 508 -4.514 -20.345 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.554 -22.621 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.772 -21.378 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -2.866 -20.714 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -4.055 -21.014 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -5.105 -19.127 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -3.572 -18.562 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -4.489 -18.050 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -5.246 -19.625 -9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -6.888 -17.868 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -7.027 -18.865 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -6.294 -17.339 -8.365 1.00 0.00 H new ATOM 1378 N ILE A 509 -6.092 -21.778 -4.216 1.00 0.00 N ATOM 1379 CA ILE A 509 -6.879 -22.526 -3.251 1.00 0.00 C ATOM 1380 C ILE A 509 -7.648 -23.634 -3.974 1.00 0.00 C ATOM 1381 O ILE A 509 -8.878 -23.656 -3.955 1.00 0.00 O ATOM 1382 CB ILE A 509 -7.774 -21.583 -2.444 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -8.611 -20.696 -3.369 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -6.951 -20.760 -1.451 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -10.021 -20.494 -2.809 1.00 0.00 C ATOM 0 H ILE A 509 -6.476 -20.867 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 509 -6.228 -23.012 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 509 -8.469 -22.188 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -8.123 -19.729 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -8.671 -21.150 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -7.612 -20.099 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -6.438 -21.430 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -6.216 -20.165 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -10.594 -19.860 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -10.515 -21.460 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -9.959 -20.017 -1.831 1.00 0.00 H new ATOM 1397 N ASN A 510 -6.890 -24.525 -4.597 1.00 0.00 N ATOM 1398 CA ASN A 510 -7.484 -25.634 -5.325 1.00 0.00 C ATOM 1399 C ASN A 510 -6.379 -26.438 -6.010 1.00 0.00 C ATOM 1400 O ASN A 510 -6.334 -27.663 -5.892 1.00 0.00 O ATOM 1401 CB ASN A 510 -8.444 -25.130 -6.406 1.00 0.00 C ATOM 1402 CG ASN A 510 -9.745 -25.935 -6.401 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -9.791 -27.093 -6.787 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -10.796 -25.260 -5.948 1.00 0.00 N ATOM 0 H ASN A 510 -5.870 -24.502 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 510 -8.033 -26.251 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -8.664 -24.075 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -7.969 -25.206 -7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -11.711 -25.708 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -10.688 -24.293 -5.641 1.00 0.00 H new ATOM 1411 N GLU A 511 -5.515 -25.720 -6.710 1.00 0.00 N ATOM 1412 CA GLU A 511 -4.412 -26.352 -7.415 1.00 0.00 C ATOM 1413 C GLU A 511 -3.250 -25.368 -7.573 1.00 0.00 C ATOM 1414 O GLU A 511 -3.155 -24.390 -6.835 1.00 0.00 O ATOM 1415 CB GLU A 511 -4.865 -26.888 -8.773 1.00 0.00 C ATOM 1416 CG GLU A 511 -4.474 -28.358 -8.941 1.00 0.00 C ATOM 1417 CD GLU A 511 -4.668 -28.815 -10.389 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -5.582 -28.334 -11.074 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -3.826 -29.703 -10.797 1.00 0.00 O ATOM 0 H GLU A 511 -5.556 -24.705 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 511 -4.067 -27.200 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -5.946 -26.782 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -4.416 -26.295 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -3.433 -28.497 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -5.077 -28.977 -8.277 1.00 0.00 H new ATOM 1427 N PHE A 512 -2.395 -25.665 -8.541 1.00 0.00 N ATOM 1428 CA PHE A 512 -1.242 -24.819 -8.806 1.00 0.00 C ATOM 1429 C PHE A 512 -1.188 -24.412 -10.279 1.00 0.00 C ATOM 1430 O PHE A 512 -1.338 -25.252 -11.165 1.00 0.00 O ATOM 1431 CB PHE A 512 0.003 -25.642 -8.470 1.00 0.00 C ATOM 1432 CG PHE A 512 -0.025 -27.067 -9.026 1.00 0.00 C ATOM 1433 CD1 PHE A 512 -0.763 -28.026 -8.405 1.00 0.00 C ATOM 1434 CD2 PHE A 512 0.691 -27.375 -10.140 1.00 0.00 C ATOM 1435 CE1 PHE A 512 -0.788 -29.348 -8.921 1.00 0.00 C ATOM 1436 CE2 PHE A 512 0.665 -28.698 -10.657 1.00 0.00 C ATOM 1437 CZ PHE A 512 -0.073 -29.657 -10.037 1.00 0.00 C ATOM 0 H PHE A 512 -2.477 -26.478 -9.151 1.00 0.00 H new ATOM 0 HA PHE A 512 -1.302 -23.910 -8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 512 0.882 -25.128 -8.859 1.00 0.00 H new ATOM 0 HB3 PHE A 512 0.114 -25.688 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 512 -1.330 -27.781 -7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 512 1.279 -26.614 -10.632 1.00 0.00 H new ATOM 0 HE1 PHE A 512 -1.375 -30.109 -8.428 1.00 0.00 H new ATOM 0 HE2 PHE A 512 1.232 -28.942 -11.543 1.00 0.00 H new ATOM 0 HZ PHE A 512 -0.092 -30.663 -10.430 1.00 0.00 H new ATOM 1447 N GLN A 513 -0.972 -23.123 -10.497 1.00 0.00 N ATOM 1448 CA GLN A 513 -0.896 -22.595 -11.849 1.00 0.00 C ATOM 1449 C GLN A 513 0.540 -22.177 -12.175 1.00 0.00 C ATOM 1450 O GLN A 513 1.072 -21.250 -11.566 1.00 0.00 O ATOM 1451 CB GLN A 513 -1.864 -21.426 -12.036 1.00 0.00 C ATOM 1452 CG GLN A 513 -2.937 -21.761 -13.074 1.00 0.00 C ATOM 1453 CD GLN A 513 -2.652 -21.059 -14.404 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -1.524 -20.977 -14.862 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -3.734 -20.559 -14.994 1.00 0.00 N ATOM 0 H GLN A 513 -0.847 -22.429 -9.760 1.00 0.00 H new ATOM 0 HA GLN A 513 -1.191 -23.382 -12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -2.337 -21.185 -11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -1.313 -20.540 -12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -2.974 -22.839 -13.229 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -3.916 -21.458 -12.701 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -4.649 -20.664 -14.555 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -3.649 -20.071 -15.886 1.00 0.00 H new ATOM 1464 N CYS A 514 1.123 -22.880 -13.135 1.00 0.00 N ATOM 1465 CA CYS A 514 2.485 -22.593 -13.548 1.00 0.00 C ATOM 1466 C CYS A 514 2.452 -21.418 -14.528 1.00 0.00 C ATOM 1467 O CYS A 514 2.238 -21.609 -15.724 1.00 0.00 O ATOM 1468 CB CYS A 514 3.164 -23.823 -14.154 1.00 0.00 C ATOM 1469 SG CYS A 514 3.374 -25.230 -13.003 1.00 0.00 S ATOM 0 H CYS A 514 0.677 -23.647 -13.638 1.00 0.00 H new ATOM 0 HA CYS A 514 3.082 -22.322 -12.677 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.580 -24.157 -15.011 1.00 0.00 H new ATOM 0 HB3 CYS A 514 4.144 -23.531 -14.531 1.00 0.00 H new ATOM 1474 N GLU A 515 2.669 -20.229 -13.985 1.00 0.00 N ATOM 1475 CA GLU A 515 2.667 -19.024 -14.797 1.00 0.00 C ATOM 1476 C GLU A 515 3.917 -18.974 -15.677 1.00 0.00 C ATOM 1477 O GLU A 515 4.745 -19.885 -15.639 1.00 0.00 O ATOM 1478 CB GLU A 515 2.563 -17.774 -13.921 1.00 0.00 C ATOM 1479 CG GLU A 515 3.837 -17.575 -13.097 1.00 0.00 C ATOM 1480 CD GLU A 515 4.131 -16.086 -12.894 1.00 0.00 C ATOM 1481 OE1 GLU A 515 5.208 -15.609 -13.279 1.00 0.00 O ATOM 1482 OE2 GLU A 515 3.191 -15.420 -12.312 1.00 0.00 O ATOM 0 H GLU A 515 2.847 -20.074 -12.993 1.00 0.00 H new ATOM 0 HA GLU A 515 1.791 -19.048 -15.446 1.00 0.00 H new ATOM 0 HB2 GLU A 515 2.391 -16.899 -14.548 1.00 0.00 H new ATOM 0 HB3 GLU A 515 1.705 -17.863 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU A 515 3.728 -18.063 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 515 4.679 -18.050 -13.601 1.00 0.00 H new ATOM 1490 N CYS A 516 4.016 -17.903 -16.450 1.00 0.00 N ATOM 1491 CA CYS A 516 5.152 -17.723 -17.339 1.00 0.00 C ATOM 1492 C CYS A 516 6.162 -16.807 -16.646 1.00 0.00 C ATOM 1493 O CYS A 516 5.781 -15.850 -15.974 1.00 0.00 O ATOM 1494 CB CYS A 516 4.723 -17.173 -18.700 1.00 0.00 C ATOM 1495 SG CYS A 516 5.601 -17.900 -20.133 1.00 0.00 S ATOM 0 H CYS A 516 3.328 -17.150 -16.480 1.00 0.00 H new ATOM 0 HA CYS A 516 5.616 -18.688 -17.541 1.00 0.00 H new ATOM 0 HB2 CYS A 516 3.653 -17.342 -18.824 1.00 0.00 H new ATOM 0 HB3 CYS A 516 4.878 -16.094 -18.706 1.00 0.00 H new ATOM 0 HG CYS A 516 5.158 -17.364 -21.231 1.00 0.00 H new ATOM 1500 N PRO A 517 7.467 -17.141 -16.839 1.00 0.00 N ATOM 1501 CA PRO A 517 8.536 -16.359 -16.241 1.00 0.00 C ATOM 1502 C PRO A 517 8.729 -15.036 -16.984 1.00 0.00 C ATOM 1503 O PRO A 517 9.277 -15.012 -18.085 1.00 0.00 O ATOM 1504 CB PRO A 517 9.760 -17.258 -16.300 1.00 0.00 C ATOM 1505 CG PRO A 517 9.448 -18.320 -17.342 1.00 0.00 C ATOM 1506 CD PRO A 517 7.956 -18.268 -17.629 1.00 0.00 C ATOM 0 HA PRO A 517 8.321 -16.068 -15.213 1.00 0.00 H new ATOM 0 HB2 PRO A 517 10.649 -16.690 -16.575 1.00 0.00 H new ATOM 0 HB3 PRO A 517 9.959 -17.711 -15.329 1.00 0.00 H new ATOM 0 HG2 PRO A 517 10.018 -18.140 -18.253 1.00 0.00 H new ATOM 0 HG3 PRO A 517 9.732 -19.307 -16.978 1.00 0.00 H new ATOM 0 HD2 PRO A 517 7.762 -18.121 -18.691 1.00 0.00 H new ATOM 0 HD3 PRO A 517 7.464 -19.197 -17.341 1.00 0.00 H new