USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 470 GLN : amide:sc= -0.0788 X(o=-0.083,f=0.01) USER MOD Set 1.2: A 475 GLN : amide:sc=-0.00465 X(o=-0.083,f=-0.079) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -0.0657 F(o=-0.62,f=-0.066) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -1.73! C(o=-1.7!,f=-9.7!) USER MOD Single : A 432 THR OG1 : rot 146:sc= -6.45! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN :FLIP amide:sc= -0.958 F(o=-3.1,f=-0.96) USER MOD Single : A 442 GLN :FLIP amide:sc= -1.99! C(o=-4.2!,f=-2!) USER MOD Single : A 444 TYR OH : rot -110:sc= -4.09! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.0816! USER MOD Single : A 454 ASN : amide:sc= -0.267 K(o=-0.27,f=-5.6!) USER MOD Single : A 458 SER OG : rot -43:sc= 0.24 USER MOD Single : A 459 ASN :FLIP amide:sc= -2.94! C(o=-4.9!,f=-2.9!) USER MOD Single : A 462 GLN :FLIP amide:sc= -1.41 F(o=-2.4!,f=-1.4) USER MOD Single : A 463 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.12) 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= -0.925 F(o=-1.7!,f=-0.92) USER MOD Single : A 490 ASN : amide:sc= -2.13 K(o=-2.1,f=-4.9!) USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot 80:sc=0.000521 USER MOD Single : A 501 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=0) USER MOD Single : A 502 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= 0.755 K(o=0.75,f=-0.88) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 CYS SG : rot 180:sc= -1.3 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 1.644 34.262 5.363 1.00 0.00 N ATOM 19 CA ASP A 412 0.478 34.032 6.199 1.00 0.00 C ATOM 20 C ASP A 412 0.917 33.364 7.505 1.00 0.00 C ATOM 21 O ASP A 412 2.100 33.091 7.700 1.00 0.00 O ATOM 22 CB ASP A 412 -0.523 33.104 5.506 1.00 0.00 C ATOM 23 CG ASP A 412 -1.948 33.165 6.058 1.00 0.00 C ATOM 24 OD1 ASP A 412 -2.606 34.215 6.017 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.388 32.056 6.551 1.00 0.00 O ATOM 0 HA ASP A 412 0.004 34.995 6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.550 33.350 4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.162 32.079 5.587 1.00 0.00 H new ATOM 31 N VAL A 413 -0.062 33.121 8.365 1.00 0.00 N ATOM 32 CA VAL A 413 0.207 32.491 9.645 1.00 0.00 C ATOM 33 C VAL A 413 0.229 30.971 9.466 1.00 0.00 C ATOM 34 O VAL A 413 -0.443 30.436 8.585 1.00 0.00 O ATOM 35 CB VAL A 413 -0.815 32.955 10.683 1.00 0.00 C ATOM 36 CG1 VAL A 413 -1.984 31.972 10.780 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.156 33.161 12.048 1.00 0.00 C ATOM 0 H VAL A 413 -1.042 33.349 8.199 1.00 0.00 H new ATOM 0 HA VAL A 413 1.187 32.789 10.018 1.00 0.00 H new ATOM 0 HB VAL A 413 -1.212 33.916 10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.696 32.326 11.525 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -2.479 31.898 9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.611 30.990 11.072 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.905 33.491 12.768 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.283 32.222 12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.625 33.917 11.965 1.00 0.00 H new ATOM 47 N ASP A 414 1.006 30.318 10.317 1.00 0.00 N ATOM 48 CA ASP A 414 1.125 28.870 10.264 1.00 0.00 C ATOM 49 C ASP A 414 0.022 28.241 11.118 1.00 0.00 C ATOM 50 O ASP A 414 0.273 27.811 12.242 1.00 0.00 O ATOM 51 CB ASP A 414 2.474 28.407 10.817 1.00 0.00 C ATOM 52 CG ASP A 414 2.902 27.003 10.384 1.00 0.00 C ATOM 53 OD1 ASP A 414 4.094 26.735 10.174 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.939 26.152 10.260 1.00 0.00 O ATOM 0 H ASP A 414 1.560 30.765 11.048 1.00 0.00 H new ATOM 0 HA ASP A 414 1.039 28.562 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 414 3.240 29.117 10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.434 28.439 11.906 1.00 0.00 H new ATOM 60 N GLU A 415 -1.176 28.209 10.552 1.00 0.00 N ATOM 61 CA GLU A 415 -2.317 27.640 11.247 1.00 0.00 C ATOM 62 C GLU A 415 -2.010 26.208 11.687 1.00 0.00 C ATOM 63 O GLU A 415 -2.724 25.642 12.514 1.00 0.00 O ATOM 64 CB GLU A 415 -3.572 27.688 10.373 1.00 0.00 C ATOM 65 CG GLU A 415 -3.918 29.128 9.990 1.00 0.00 C ATOM 66 CD GLU A 415 -4.029 29.281 8.472 1.00 0.00 C ATOM 67 OE1 GLU A 415 -4.073 28.274 7.750 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.069 30.498 8.048 1.00 0.00 O ATOM 0 H GLU A 415 -1.381 28.568 9.620 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.511 28.239 12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.415 27.096 9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.409 27.239 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -4.859 29.416 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.153 29.803 10.372 1.00 0.00 H new ATOM 76 N CYS A 416 -0.948 25.661 11.116 1.00 0.00 N ATOM 77 CA CYS A 416 -0.538 24.304 11.439 1.00 0.00 C ATOM 78 C CYS A 416 0.397 24.361 12.648 1.00 0.00 C ATOM 79 O CYS A 416 0.559 23.370 13.358 1.00 0.00 O ATOM 80 CB CYS A 416 0.118 23.611 10.242 1.00 0.00 C ATOM 81 SG CYS A 416 -0.575 21.968 9.834 1.00 0.00 S ATOM 0 H CYS A 416 -0.358 26.133 10.431 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.415 23.705 11.686 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.023 24.257 9.369 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.184 23.501 10.443 1.00 0.00 H new ATOM 86 N SER A 417 0.989 25.530 12.846 1.00 0.00 N ATOM 87 CA SER A 417 1.903 25.728 13.957 1.00 0.00 C ATOM 88 C SER A 417 1.116 25.880 15.260 1.00 0.00 C ATOM 89 O SER A 417 1.602 25.508 16.328 1.00 0.00 O ATOM 90 CB SER A 417 2.792 26.952 13.728 1.00 0.00 C ATOM 91 OG SER A 417 3.826 27.053 14.703 1.00 0.00 O ATOM 0 H SER A 417 0.853 26.350 12.255 1.00 0.00 H new ATOM 0 HA SER A 417 2.549 24.853 14.029 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.236 26.896 12.734 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.180 27.854 13.754 1.00 0.00 H new ATOM 0 HG SER A 417 4.372 27.846 14.520 1.00 0.00 H new ATOM 97 N LEU A 418 -0.082 26.426 15.132 1.00 0.00 N ATOM 98 CA LEU A 418 -0.941 26.632 16.285 1.00 0.00 C ATOM 99 C LEU A 418 -0.967 25.355 17.129 1.00 0.00 C ATOM 100 O LEU A 418 -0.310 25.278 18.166 1.00 0.00 O ATOM 101 CB LEU A 418 -2.327 27.107 15.846 1.00 0.00 C ATOM 102 CG LEU A 418 -2.360 28.059 14.648 1.00 0.00 C ATOM 103 CD1 LEU A 418 -3.710 28.773 14.553 1.00 0.00 C ATOM 104 CD2 LEU A 418 -1.192 29.044 14.698 1.00 0.00 C ATOM 0 H LEU A 418 -0.480 26.733 14.245 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.545 27.427 16.917 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.931 26.232 15.606 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -2.805 27.602 16.692 1.00 0.00 H new ATOM 0 HG LEU A 418 -2.243 27.469 13.739 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -3.707 29.443 13.694 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -4.504 28.036 14.436 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.882 29.349 15.462 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.239 29.709 13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -1.251 29.633 15.613 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -0.251 28.494 14.681 1.00 0.00 H new ATOM 116 N GLY A 419 -1.734 24.386 16.653 1.00 0.00 N ATOM 117 CA GLY A 419 -1.855 23.116 17.350 1.00 0.00 C ATOM 118 C GLY A 419 -2.869 22.204 16.657 1.00 0.00 C ATOM 119 O GLY A 419 -3.558 21.424 17.313 1.00 0.00 O ATOM 0 H GLY A 419 -2.278 24.454 15.793 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -0.883 22.623 17.387 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -2.163 23.291 18.381 1.00 0.00 H new ATOM 123 N ALA A 420 -2.928 22.332 15.339 1.00 0.00 N ATOM 124 CA ALA A 420 -3.846 21.529 14.550 1.00 0.00 C ATOM 125 C ALA A 420 -3.068 20.802 13.451 1.00 0.00 C ATOM 126 O ALA A 420 -2.913 21.325 12.347 1.00 0.00 O ATOM 127 CB ALA A 420 -4.954 22.424 13.988 1.00 0.00 C ATOM 0 H ALA A 420 -2.355 22.980 14.798 1.00 0.00 H new ATOM 0 HA ALA A 420 -4.323 20.771 15.171 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.643 21.822 13.396 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -5.496 22.892 14.810 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.513 23.196 13.357 1.00 0.00 H new ATOM 133 N ASN A 421 -2.598 19.612 13.790 1.00 0.00 N ATOM 134 CA ASN A 421 -1.840 18.810 12.846 1.00 0.00 C ATOM 135 C ASN A 421 -2.783 17.837 12.134 1.00 0.00 C ATOM 136 O ASN A 421 -3.401 16.987 12.773 1.00 0.00 O ATOM 137 CB ASN A 421 -0.764 17.987 13.561 1.00 0.00 C ATOM 138 CG ASN A 421 0.506 17.892 12.715 1.00 0.00 C ATOM 139 OD1 ASN A 421 1.571 18.348 13.095 1.00 0.00 O ATOM 140 ND2 ASN A 421 0.334 17.276 11.548 1.00 0.00 N ATOM 0 H ASN A 421 -2.727 19.183 14.706 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.365 19.487 12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -0.531 18.444 14.523 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.144 16.986 13.767 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.122 17.163 10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.586 16.917 11.291 1.00 0.00 H new ATOM 147 N PRO A 422 -2.869 18.001 10.787 1.00 0.00 N ATOM 148 CA PRO A 422 -3.727 17.149 9.983 1.00 0.00 C ATOM 149 C PRO A 422 -3.112 15.758 9.811 1.00 0.00 C ATOM 150 O PRO A 422 -3.780 14.748 10.026 1.00 0.00 O ATOM 151 CB PRO A 422 -3.896 17.890 8.667 1.00 0.00 C ATOM 152 CG PRO A 422 -2.760 18.898 8.607 1.00 0.00 C ATOM 153 CD PRO A 422 -2.153 18.998 9.996 1.00 0.00 C ATOM 0 HA PRO A 422 -4.695 16.967 10.449 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -3.852 17.202 7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -4.864 18.389 8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.008 18.583 7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.129 19.870 8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.083 18.793 9.976 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -2.278 19.998 10.412 1.00 0.00 H new ATOM 161 N CYS A 423 -1.845 15.750 9.423 1.00 0.00 N ATOM 162 CA CYS A 423 -1.132 14.500 9.218 1.00 0.00 C ATOM 163 C CYS A 423 -1.130 13.727 10.539 1.00 0.00 C ATOM 164 O CYS A 423 -0.787 12.546 10.570 1.00 0.00 O ATOM 165 CB CYS A 423 0.285 14.736 8.694 1.00 0.00 C ATOM 166 SG CYS A 423 0.371 15.562 7.062 1.00 0.00 S ATOM 0 H CYS A 423 -1.294 16.589 9.245 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.638 13.911 8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.830 15.339 9.420 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.797 13.776 8.628 1.00 0.00 H new ATOM 171 N GLU A 424 -1.515 14.426 11.597 1.00 0.00 N ATOM 172 CA GLU A 424 -1.561 13.820 12.917 1.00 0.00 C ATOM 173 C GLU A 424 -0.179 13.867 13.571 1.00 0.00 C ATOM 174 O GLU A 424 0.018 14.564 14.566 1.00 0.00 O ATOM 175 CB GLU A 424 -2.085 12.385 12.843 1.00 0.00 C ATOM 176 CG GLU A 424 -3.252 12.277 11.860 1.00 0.00 C ATOM 177 CD GLU A 424 -4.337 11.341 12.397 1.00 0.00 C ATOM 178 OE1 GLU A 424 -5.394 11.810 12.844 1.00 0.00 O ATOM 179 OE2 GLU A 424 -4.051 10.085 12.339 1.00 0.00 O ATOM 0 H GLU A 424 -1.798 15.406 11.567 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.253 14.393 13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.282 11.716 12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.407 12.060 13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -3.675 13.266 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -2.891 11.908 10.900 1.00 0.00 H new ATOM 187 N HIS A 425 0.742 13.116 12.986 1.00 0.00 N ATOM 188 CA HIS A 425 2.100 13.062 13.500 1.00 0.00 C ATOM 189 C HIS A 425 3.039 12.532 12.415 1.00 0.00 C ATOM 190 O HIS A 425 4.146 13.040 12.243 1.00 0.00 O ATOM 191 CB HIS A 425 2.162 12.242 14.790 1.00 0.00 C ATOM 192 CG HIS A 425 1.612 10.842 14.654 1.00 0.00 C ATOM 193 ND1 HIS A 425 0.342 10.401 14.427 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 2.406 9.712 14.752 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 0.357 9.075 14.388 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 1.636 8.645 14.590 1.00 0.00 N flip ATOM 0 H HIS A 425 0.575 12.540 12.161 1.00 0.00 H new ATOM 0 HA HIS A 425 2.433 14.066 13.761 1.00 0.00 H new ATOM 0 HB2 HIS A 425 3.199 12.184 15.122 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.607 12.766 15.568 1.00 0.00 H new ATOM 0 HD2 HIS A 425 3.471 9.702 14.930 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -0.501 8.441 14.224 1.00 0.00 H new ATOM 0 HE2 HIS A 425 1.945 7.673 14.612 1.00 0.00 H new ATOM 204 N ALA A 426 2.562 11.516 11.710 1.00 0.00 N ATOM 205 CA ALA A 426 3.345 10.910 10.645 1.00 0.00 C ATOM 206 C ALA A 426 3.121 11.688 9.348 1.00 0.00 C ATOM 207 O ALA A 426 2.383 11.241 8.471 1.00 0.00 O ATOM 208 CB ALA A 426 2.970 9.433 10.513 1.00 0.00 C ATOM 0 H ALA A 426 1.643 11.097 11.855 1.00 0.00 H new ATOM 0 HA ALA A 426 4.409 10.956 10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.557 8.979 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.176 8.920 11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.909 9.347 10.278 1.00 0.00 H new ATOM 214 N GLY A 427 3.770 12.840 9.266 1.00 0.00 N ATOM 215 CA GLY A 427 3.651 13.684 8.089 1.00 0.00 C ATOM 216 C GLY A 427 4.365 15.022 8.298 1.00 0.00 C ATOM 217 O GLY A 427 4.954 15.256 9.353 1.00 0.00 O ATOM 0 H GLY A 427 4.380 13.209 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 427 4.076 13.172 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.598 13.860 7.869 1.00 0.00 H new ATOM 221 N LYS A 428 4.288 15.862 7.278 1.00 0.00 N ATOM 222 CA LYS A 428 4.921 17.169 7.337 1.00 0.00 C ATOM 223 C LYS A 428 3.841 18.254 7.301 1.00 0.00 C ATOM 224 O LYS A 428 2.946 18.215 6.458 1.00 0.00 O ATOM 225 CB LYS A 428 5.970 17.309 6.233 1.00 0.00 C ATOM 226 CG LYS A 428 7.271 17.894 6.784 1.00 0.00 C ATOM 227 CD LYS A 428 7.626 19.203 6.076 1.00 0.00 C ATOM 228 CE LYS A 428 8.770 18.995 5.081 1.00 0.00 C ATOM 229 NZ LYS A 428 10.078 19.180 5.749 1.00 0.00 N ATOM 0 H LYS A 428 3.797 15.664 6.406 1.00 0.00 H new ATOM 0 HA LYS A 428 5.464 17.287 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 428 6.166 16.334 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.585 17.951 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.170 18.071 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 428 8.080 17.175 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 428 6.750 19.587 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.912 19.953 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.711 17.994 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 428 8.674 19.700 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.843 19.035 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 10.137 20.144 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 10.174 18.491 6.522 1.00 0.00 H new ATOM 242 N CYS A 429 3.964 19.197 8.224 1.00 0.00 N ATOM 243 CA CYS A 429 3.011 20.290 8.307 1.00 0.00 C ATOM 244 C CYS A 429 3.723 21.582 7.899 1.00 0.00 C ATOM 245 O CYS A 429 4.735 21.951 8.494 1.00 0.00 O ATOM 246 CB CYS A 429 2.392 20.396 9.703 1.00 0.00 C ATOM 247 SG CYS A 429 0.590 20.710 9.721 1.00 0.00 S ATOM 0 H CYS A 429 4.709 19.226 8.920 1.00 0.00 H new ATOM 0 HA CYS A 429 2.181 20.104 7.626 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.591 19.471 10.244 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.892 21.198 10.247 1.00 0.00 H new ATOM 252 N ILE A 430 3.168 22.231 6.887 1.00 0.00 N ATOM 253 CA ILE A 430 3.738 23.473 6.393 1.00 0.00 C ATOM 254 C ILE A 430 2.687 24.582 6.480 1.00 0.00 C ATOM 255 O ILE A 430 1.520 24.315 6.762 1.00 0.00 O ATOM 256 CB ILE A 430 4.311 23.278 4.988 1.00 0.00 C ATOM 257 CG1 ILE A 430 3.898 21.922 4.411 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.830 23.464 4.984 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.726 20.791 5.025 1.00 0.00 C ATOM 0 H ILE A 430 2.330 21.921 6.395 1.00 0.00 H new ATOM 0 HA ILE A 430 4.578 23.780 7.015 1.00 0.00 H new ATOM 0 HB ILE A 430 3.891 24.046 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.839 21.748 4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.029 21.928 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.212 23.320 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.074 24.470 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.288 22.734 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.413 19.838 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.782 20.955 4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.574 20.773 6.104 1.00 0.00 H new ATOM 271 N ASN A 431 3.139 25.802 6.231 1.00 0.00 N ATOM 272 CA ASN A 431 2.253 26.953 6.279 1.00 0.00 C ATOM 273 C ASN A 431 1.989 27.446 4.854 1.00 0.00 C ATOM 274 O ASN A 431 2.916 27.571 4.056 1.00 0.00 O ATOM 275 CB ASN A 431 2.884 28.102 7.067 1.00 0.00 C ATOM 276 CG ASN A 431 2.109 29.404 6.853 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.982 29.418 6.385 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.772 30.497 7.221 1.00 0.00 N ATOM 0 H ASN A 431 4.107 26.019 5.995 1.00 0.00 H new ATOM 0 HA ASN A 431 1.328 26.647 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.900 27.854 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.920 28.236 6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 431 2.339 31.415 7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.713 30.417 7.606 1.00 0.00 H new ATOM 285 N THR A 432 0.720 27.712 4.580 1.00 0.00 N ATOM 286 CA THR A 432 0.323 28.188 3.267 1.00 0.00 C ATOM 287 C THR A 432 -0.409 29.528 3.385 1.00 0.00 C ATOM 288 O THR A 432 -0.731 29.968 4.486 1.00 0.00 O ATOM 289 CB THR A 432 -0.516 27.095 2.601 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.858 26.219 3.671 1.00 0.00 O ATOM 291 CG2 THR A 432 0.310 26.221 1.653 1.00 0.00 C ATOM 0 H THR A 432 -0.046 27.607 5.245 1.00 0.00 H new ATOM 0 HA THR A 432 1.191 28.381 2.637 1.00 0.00 H new ATOM 0 HB THR A 432 -1.338 27.552 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 432 -1.752 25.849 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 432 -0.332 25.461 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.739 26.842 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.112 25.737 2.210 1.00 0.00 H new ATOM 299 N LEU A 433 -0.649 30.137 2.233 1.00 0.00 N ATOM 300 CA LEU A 433 -1.335 31.417 2.193 1.00 0.00 C ATOM 301 C LEU A 433 -2.837 31.191 2.387 1.00 0.00 C ATOM 302 O LEU A 433 -3.463 30.460 1.620 1.00 0.00 O ATOM 303 CB LEU A 433 -0.989 32.171 0.908 1.00 0.00 C ATOM 304 CG LEU A 433 0.091 33.248 1.032 1.00 0.00 C ATOM 305 CD1 LEU A 433 0.697 33.577 -0.332 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.456 34.493 1.733 1.00 0.00 C ATOM 0 H LEU A 433 -0.381 29.768 1.321 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.998 32.055 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.667 31.446 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.898 32.638 0.528 1.00 0.00 H new ATOM 0 HG LEU A 433 0.896 32.856 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.461 34.345 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.147 32.679 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -0.084 33.942 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.331 35.243 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.289 34.898 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.800 34.226 2.732 1.00 0.00 H new ATOM 318 N GLY A 434 -3.371 31.832 3.416 1.00 0.00 N ATOM 319 CA GLY A 434 -4.787 31.710 3.720 1.00 0.00 C ATOM 320 C GLY A 434 -5.063 30.458 4.554 1.00 0.00 C ATOM 321 O GLY A 434 -5.808 30.510 5.530 1.00 0.00 O ATOM 0 H GLY A 434 -2.849 32.437 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.124 32.594 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.359 31.667 2.793 1.00 0.00 H new ATOM 325 N SER A 435 -4.445 29.361 4.139 1.00 0.00 N ATOM 326 CA SER A 435 -4.614 28.098 4.836 1.00 0.00 C ATOM 327 C SER A 435 -3.252 27.443 5.071 1.00 0.00 C ATOM 328 O SER A 435 -2.232 27.939 4.597 1.00 0.00 O ATOM 329 CB SER A 435 -5.530 27.155 4.050 1.00 0.00 C ATOM 330 OG SER A 435 -6.707 27.811 3.591 1.00 0.00 O ATOM 0 H SER A 435 -3.827 29.322 3.329 1.00 0.00 H new ATOM 0 HA SER A 435 -5.083 28.298 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.986 26.749 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.809 26.311 4.681 1.00 0.00 H new ATOM 0 HG SER A 435 -7.263 27.175 3.093 1.00 0.00 H new ATOM 336 N PHE A 436 -3.282 26.339 5.802 1.00 0.00 N ATOM 337 CA PHE A 436 -2.060 25.610 6.106 1.00 0.00 C ATOM 338 C PHE A 436 -1.953 24.341 5.259 1.00 0.00 C ATOM 339 O PHE A 436 -2.964 23.711 4.947 1.00 0.00 O ATOM 340 CB PHE A 436 -2.129 25.219 7.583 1.00 0.00 C ATOM 341 CG PHE A 436 -3.390 24.438 7.961 1.00 0.00 C ATOM 342 CD1 PHE A 436 -4.547 25.101 8.228 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.351 23.081 8.032 1.00 0.00 C ATOM 344 CE1 PHE A 436 -5.715 24.376 8.578 1.00 0.00 C ATOM 345 CE2 PHE A 436 -4.520 22.354 8.384 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.677 23.018 8.649 1.00 0.00 C ATOM 0 H PHE A 436 -4.131 25.931 6.193 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.192 26.233 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.254 24.618 7.831 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.078 26.123 8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -4.577 26.179 8.174 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -2.431 22.555 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -6.634 24.902 8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -4.490 21.276 8.441 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.566 22.467 8.916 1.00 0.00 H new ATOM 356 N GLU A 437 -0.721 24.003 4.910 1.00 0.00 N ATOM 357 CA GLU A 437 -0.470 22.819 4.106 1.00 0.00 C ATOM 358 C GLU A 437 0.304 21.779 4.918 1.00 0.00 C ATOM 359 O GLU A 437 1.069 22.130 5.814 1.00 0.00 O ATOM 360 CB GLU A 437 0.280 23.180 2.820 1.00 0.00 C ATOM 361 CG GLU A 437 1.020 21.964 2.258 1.00 0.00 C ATOM 362 CD GLU A 437 1.353 22.161 0.778 1.00 0.00 C ATOM 363 OE1 GLU A 437 2.220 22.980 0.442 1.00 0.00 O ATOM 364 OE2 GLU A 437 0.673 21.425 -0.036 1.00 0.00 O ATOM 0 H GLU A 437 0.114 24.528 5.169 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.429 22.387 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.424 23.557 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.991 23.982 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.938 21.800 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.406 21.072 2.381 1.00 0.00 H new ATOM 372 N CYS A 438 0.076 20.518 4.575 1.00 0.00 N ATOM 373 CA CYS A 438 0.743 19.426 5.262 1.00 0.00 C ATOM 374 C CYS A 438 1.042 18.327 4.240 1.00 0.00 C ATOM 375 O CYS A 438 0.139 17.857 3.547 1.00 0.00 O ATOM 376 CB CYS A 438 -0.090 18.903 6.434 1.00 0.00 C ATOM 377 SG CYS A 438 0.406 17.254 7.054 1.00 0.00 S ATOM 0 H CYS A 438 -0.560 20.230 3.832 1.00 0.00 H new ATOM 0 HA CYS A 438 1.678 19.782 5.695 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.026 19.618 7.254 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.135 18.861 6.128 1.00 0.00 H new ATOM 382 N GLN A 439 2.310 17.951 4.177 1.00 0.00 N ATOM 383 CA GLN A 439 2.739 16.917 3.250 1.00 0.00 C ATOM 384 C GLN A 439 2.219 15.550 3.702 1.00 0.00 C ATOM 385 O GLN A 439 2.052 15.311 4.897 1.00 0.00 O ATOM 386 CB GLN A 439 4.262 16.904 3.108 1.00 0.00 C ATOM 387 CG GLN A 439 4.777 18.252 2.600 1.00 0.00 C ATOM 388 CD GLN A 439 6.197 18.124 2.048 1.00 0.00 C ATOM 389 OE1 GLN A 439 7.117 18.754 2.773 1.00 0.00 O flip ATOM 390 NE2 GLN A 439 6.441 17.496 1.030 1.00 0.00 N flip ATOM 0 H GLN A 439 3.055 18.344 4.753 1.00 0.00 H new ATOM 0 HA GLN A 439 2.318 17.139 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.719 16.676 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.560 16.114 2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 439 4.113 18.629 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.763 18.980 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 439 5.686 17.036 0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.400 17.432 0.688 1.00 0.00 H new ATOM 399 N CYS A 440 1.978 14.691 2.723 1.00 0.00 N ATOM 400 CA CYS A 440 1.480 13.354 3.006 1.00 0.00 C ATOM 401 C CYS A 440 2.672 12.468 3.377 1.00 0.00 C ATOM 402 O CYS A 440 3.811 12.776 3.030 1.00 0.00 O ATOM 403 CB CYS A 440 0.690 12.784 1.827 1.00 0.00 C ATOM 404 SG CYS A 440 -1.070 13.283 1.771 1.00 0.00 S ATOM 0 H CYS A 440 2.118 14.894 1.733 1.00 0.00 H new ATOM 0 HA CYS A 440 0.781 13.391 3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 440 1.171 13.096 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 440 0.744 11.696 1.864 1.00 0.00 H new ATOM 409 N LEU A 441 2.365 11.385 4.077 1.00 0.00 N ATOM 410 CA LEU A 441 3.395 10.452 4.499 1.00 0.00 C ATOM 411 C LEU A 441 3.115 9.078 3.887 1.00 0.00 C ATOM 412 O LEU A 441 2.220 8.364 4.341 1.00 0.00 O ATOM 413 CB LEU A 441 3.511 10.434 6.024 1.00 0.00 C ATOM 414 CG LEU A 441 4.933 10.388 6.589 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.683 9.155 6.083 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.687 11.683 6.285 1.00 0.00 C ATOM 0 H LEU A 441 1.418 11.134 4.362 1.00 0.00 H new ATOM 0 HA LEU A 441 4.371 10.772 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 441 3.014 11.321 6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.964 9.569 6.400 1.00 0.00 H new ATOM 0 HG LEU A 441 4.867 10.303 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.691 9.146 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 441 5.154 8.254 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.740 9.185 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.694 11.623 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.745 11.826 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.160 12.525 6.734 1.00 0.00 H new ATOM 428 N GLN A 442 3.893 8.748 2.868 1.00 0.00 N ATOM 429 CA GLN A 442 3.739 7.471 2.191 1.00 0.00 C ATOM 430 C GLN A 442 2.425 7.442 1.408 1.00 0.00 C ATOM 431 O GLN A 442 2.368 7.898 0.267 1.00 0.00 O ATOM 432 CB GLN A 442 3.812 6.311 3.185 1.00 0.00 C ATOM 433 CG GLN A 442 5.200 5.667 3.177 1.00 0.00 C ATOM 434 CD GLN A 442 5.857 5.763 4.554 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.455 6.929 4.788 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 5.826 4.841 5.352 1.00 0.00 N flip ATOM 0 H GLN A 442 4.633 9.343 2.494 1.00 0.00 H new ATOM 0 HA GLN A 442 4.562 7.353 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.580 6.671 4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.059 5.564 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.118 4.621 2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.829 6.159 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.350 3.972 5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.276 4.939 6.262 1.00 0.00 H new ATOM 445 N GLY A 443 1.402 6.901 2.053 1.00 0.00 N ATOM 446 CA GLY A 443 0.091 6.806 1.431 1.00 0.00 C ATOM 447 C GLY A 443 -0.991 7.388 2.342 1.00 0.00 C ATOM 448 O GLY A 443 -1.744 6.646 2.971 1.00 0.00 O ATOM 0 H GLY A 443 1.454 6.524 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.096 7.339 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.136 5.763 1.211 1.00 0.00 H new ATOM 452 N TYR A 444 -1.036 8.712 2.384 1.00 0.00 N ATOM 453 CA TYR A 444 -2.013 9.402 3.206 1.00 0.00 C ATOM 454 C TYR A 444 -3.148 9.968 2.351 1.00 0.00 C ATOM 455 O TYR A 444 -2.997 10.129 1.140 1.00 0.00 O ATOM 456 CB TYR A 444 -1.265 10.559 3.869 1.00 0.00 C ATOM 457 CG TYR A 444 -0.847 10.282 5.316 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.137 9.139 5.622 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.181 11.176 6.313 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.257 8.879 6.982 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.787 10.915 7.675 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.087 9.779 7.941 1.00 0.00 C ATOM 463 OH TYR A 444 0.284 9.533 9.226 1.00 0.00 O ATOM 0 H TYR A 444 -0.410 9.325 1.861 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.454 8.719 3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.375 10.787 3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.897 11.447 3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.123 8.440 4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.737 12.070 6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.814 7.989 7.235 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.042 11.605 8.466 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.509 9.318 9.760 1.00 0.00 H new ATOM 473 N THR A 445 -4.259 10.257 3.014 1.00 0.00 N ATOM 474 CA THR A 445 -5.419 10.802 2.328 1.00 0.00 C ATOM 475 C THR A 445 -5.524 12.308 2.574 1.00 0.00 C ATOM 476 O THR A 445 -4.602 13.059 2.256 1.00 0.00 O ATOM 477 CB THR A 445 -6.651 10.023 2.793 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.748 10.762 2.265 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.852 10.092 4.308 1.00 0.00 C ATOM 0 H THR A 445 -4.380 10.124 4.018 1.00 0.00 H new ATOM 0 HA THR A 445 -5.331 10.686 1.248 1.00 0.00 H new ATOM 0 HB THR A 445 -6.557 8.981 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.588 10.326 2.518 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.740 9.523 4.584 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.981 9.671 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.979 11.131 4.611 1.00 0.00 H new ATOM 487 N GLY A 446 -6.654 12.706 3.139 1.00 0.00 N ATOM 488 CA GLY A 446 -6.892 14.109 3.431 1.00 0.00 C ATOM 489 C GLY A 446 -7.487 14.829 2.220 1.00 0.00 C ATOM 490 O GLY A 446 -7.413 14.330 1.098 1.00 0.00 O ATOM 0 H GLY A 446 -7.416 12.081 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.570 14.197 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.956 14.588 3.719 1.00 0.00 H new ATOM 494 N PRO A 447 -8.080 16.022 2.494 1.00 0.00 N ATOM 495 CA PRO A 447 -8.687 16.815 1.438 1.00 0.00 C ATOM 496 C PRO A 447 -7.619 17.502 0.584 1.00 0.00 C ATOM 497 O PRO A 447 -7.823 17.732 -0.607 1.00 0.00 O ATOM 498 CB PRO A 447 -9.595 17.800 2.159 1.00 0.00 C ATOM 499 CG PRO A 447 -9.114 17.832 3.600 1.00 0.00 C ATOM 500 CD PRO A 447 -8.187 16.644 3.809 1.00 0.00 C ATOM 0 HA PRO A 447 -9.257 16.210 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.536 18.789 1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.637 17.485 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.591 18.766 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -9.960 17.782 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.212 16.963 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.593 15.949 4.544 1.00 0.00 H new ATOM 508 N ARG A 448 -6.503 17.813 1.227 1.00 0.00 N ATOM 509 CA ARG A 448 -5.402 18.469 0.543 1.00 0.00 C ATOM 510 C ARG A 448 -4.166 17.566 0.537 1.00 0.00 C ATOM 511 O ARG A 448 -3.164 17.885 -0.099 1.00 0.00 O ATOM 512 CB ARG A 448 -5.052 19.798 1.212 1.00 0.00 C ATOM 513 CG ARG A 448 -6.261 20.735 1.238 1.00 0.00 C ATOM 514 CD ARG A 448 -6.605 21.227 -0.170 1.00 0.00 C ATOM 515 NE ARG A 448 -5.509 22.073 -0.691 1.00 0.00 N ATOM 516 CZ ARG A 448 -5.384 22.435 -1.986 1.00 0.00 C ATOM 517 NH1 ARG A 448 -6.287 22.028 -2.903 1.00 0.00 N ATOM 518 NH2 ARG A 448 -4.364 23.195 -2.342 1.00 0.00 N ATOM 0 H ARG A 448 -6.338 17.623 2.215 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.718 18.664 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.706 19.617 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.231 20.274 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -7.119 20.216 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.051 21.588 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -6.766 20.376 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -7.535 21.795 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 448 -4.804 22.403 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -7.072 21.442 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -6.184 22.307 -3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -3.686 23.499 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -4.254 23.478 -3.316 1.00 0.00 H new ATOM 531 N CYS A 449 -4.280 16.459 1.255 1.00 0.00 N ATOM 532 CA CYS A 449 -3.183 15.509 1.342 1.00 0.00 C ATOM 533 C CYS A 449 -2.457 15.734 2.669 1.00 0.00 C ATOM 534 O CYS A 449 -1.334 16.239 2.689 1.00 0.00 O ATOM 535 CB CYS A 449 -2.237 15.626 0.146 1.00 0.00 C ATOM 536 SG CYS A 449 -1.208 14.145 -0.166 1.00 0.00 S ATOM 0 H CYS A 449 -5.114 16.198 1.782 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.576 14.493 1.312 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.826 15.836 -0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.580 16.481 0.303 1.00 0.00 H new ATOM 541 N GLU A 450 -3.124 15.349 3.746 1.00 0.00 N ATOM 542 CA GLU A 450 -2.554 15.502 5.075 1.00 0.00 C ATOM 543 C GLU A 450 -3.304 14.625 6.078 1.00 0.00 C ATOM 544 O GLU A 450 -3.267 14.879 7.280 1.00 0.00 O ATOM 545 CB GLU A 450 -2.570 16.969 5.511 1.00 0.00 C ATOM 546 CG GLU A 450 -3.922 17.619 5.206 1.00 0.00 C ATOM 547 CD GLU A 450 -3.775 18.721 4.156 1.00 0.00 C ATOM 548 OE1 GLU A 450 -4.267 19.841 4.360 1.00 0.00 O ATOM 549 OE2 GLU A 450 -3.123 18.382 3.096 1.00 0.00 O ATOM 0 H GLU A 450 -4.054 14.931 3.727 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.514 15.176 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.363 17.037 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.777 17.513 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -4.621 16.863 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.343 18.037 6.120 1.00 0.00 H new ATOM 557 N ILE A 451 -3.969 13.607 5.546 1.00 0.00 N ATOM 558 CA ILE A 451 -4.726 12.690 6.382 1.00 0.00 C ATOM 559 C ILE A 451 -4.323 11.253 6.047 1.00 0.00 C ATOM 560 O ILE A 451 -4.005 10.945 4.899 1.00 0.00 O ATOM 561 CB ILE A 451 -6.227 12.956 6.243 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.624 14.246 6.963 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.042 11.755 6.727 1.00 0.00 C ATOM 564 CD1 ILE A 451 -5.940 15.460 6.333 1.00 0.00 C ATOM 0 H ILE A 451 -3.999 13.398 4.548 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.492 12.850 7.435 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.454 13.095 5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.706 14.372 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.352 14.177 8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.105 11.969 6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.786 10.878 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.817 11.561 7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.240 16.363 6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -4.858 15.343 6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.233 15.540 5.286 1.00 0.00 H new ATOM 576 N ASP A 452 -4.350 10.412 7.071 1.00 0.00 N ATOM 577 CA ASP A 452 -3.991 9.015 6.901 1.00 0.00 C ATOM 578 C ASP A 452 -5.263 8.182 6.735 1.00 0.00 C ATOM 579 O ASP A 452 -6.158 8.235 7.578 1.00 0.00 O ATOM 580 CB ASP A 452 -3.235 8.487 8.122 1.00 0.00 C ATOM 581 CG ASP A 452 -2.794 7.025 8.027 1.00 0.00 C ATOM 582 OD1 ASP A 452 -1.704 6.718 7.522 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.633 6.170 8.508 1.00 0.00 O ATOM 0 H ASP A 452 -4.615 10.672 8.021 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.353 8.936 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.353 9.107 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.869 8.603 9.001 1.00 0.00 H new ATOM 589 N VAL A 453 -5.304 7.433 5.643 1.00 0.00 N ATOM 590 CA VAL A 453 -6.452 6.591 5.356 1.00 0.00 C ATOM 591 C VAL A 453 -6.154 5.159 5.806 1.00 0.00 C ATOM 592 O VAL A 453 -5.013 4.830 6.127 1.00 0.00 O ATOM 593 CB VAL A 453 -6.817 6.688 3.873 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.568 6.594 2.995 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.841 5.618 3.488 1.00 0.00 C ATOM 0 H VAL A 453 -4.560 7.392 4.946 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.324 6.933 5.914 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.274 7.663 3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.855 6.666 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.888 7.409 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -5.070 5.640 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -8.083 5.710 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -7.424 4.629 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.747 5.752 4.080 1.00 0.00 H new ATOM 605 N ASN A 454 -7.200 4.345 5.813 1.00 0.00 N ATOM 606 CA ASN A 454 -7.064 2.955 6.218 1.00 0.00 C ATOM 607 C ASN A 454 -7.034 2.067 4.972 1.00 0.00 C ATOM 608 O ASN A 454 -8.063 1.851 4.335 1.00 0.00 O ATOM 609 CB ASN A 454 -8.247 2.516 7.083 1.00 0.00 C ATOM 610 CG ASN A 454 -7.940 1.200 7.802 1.00 0.00 C ATOM 611 OD1 ASN A 454 -7.295 0.309 7.273 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.437 1.129 9.033 1.00 0.00 N ATOM 0 H ASN A 454 -8.145 4.621 5.545 1.00 0.00 H new ATOM 0 HA ASN A 454 -6.142 2.859 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.474 3.291 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -9.133 2.396 6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.287 0.292 9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.968 1.912 9.415 1.00 0.00 H new ATOM 619 N GLU A 455 -5.842 1.577 4.663 1.00 0.00 N ATOM 620 CA GLU A 455 -5.664 0.717 3.506 1.00 0.00 C ATOM 621 C GLU A 455 -5.962 -0.738 3.874 1.00 0.00 C ATOM 622 O GLU A 455 -6.173 -1.573 2.997 1.00 0.00 O ATOM 623 CB GLU A 455 -4.254 0.859 2.929 1.00 0.00 C ATOM 624 CG GLU A 455 -3.217 0.994 4.045 1.00 0.00 C ATOM 625 CD GLU A 455 -2.955 2.465 4.376 1.00 0.00 C ATOM 626 OE1 GLU A 455 -3.882 3.287 4.315 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.740 2.742 4.705 1.00 0.00 O ATOM 0 H GLU A 455 -4.990 1.759 5.194 1.00 0.00 H new ATOM 0 HA GLU A 455 -6.370 1.028 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -4.020 -0.009 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -4.209 1.732 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.567 0.474 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -2.286 0.515 3.741 1.00 0.00 H new ATOM 635 N CYS A 456 -5.970 -0.996 5.174 1.00 0.00 N ATOM 636 CA CYS A 456 -6.238 -2.336 5.670 1.00 0.00 C ATOM 637 C CYS A 456 -7.751 -2.494 5.832 1.00 0.00 C ATOM 638 O CYS A 456 -8.217 -3.468 6.419 1.00 0.00 O ATOM 639 CB CYS A 456 -5.491 -2.615 6.976 1.00 0.00 C ATOM 640 SG CYS A 456 -6.507 -2.455 8.489 1.00 0.00 S ATOM 0 H CYS A 456 -5.795 -0.300 5.899 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.872 -3.072 4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.081 -3.624 6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -4.646 -1.930 7.048 1.00 0.00 H new ATOM 645 N VAL A 457 -8.476 -1.519 5.301 1.00 0.00 N ATOM 646 CA VAL A 457 -9.926 -1.538 5.380 1.00 0.00 C ATOM 647 C VAL A 457 -10.475 -2.541 4.363 1.00 0.00 C ATOM 648 O VAL A 457 -11.192 -3.472 4.730 1.00 0.00 O ATOM 649 CB VAL A 457 -10.479 -0.124 5.184 1.00 0.00 C ATOM 650 CG1 VAL A 457 -11.348 -0.045 3.926 1.00 0.00 C ATOM 651 CG2 VAL A 457 -11.258 0.336 6.418 1.00 0.00 C ATOM 0 H VAL A 457 -8.086 -0.712 4.815 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.251 -1.866 6.368 1.00 0.00 H new ATOM 0 HB VAL A 457 -9.634 0.551 5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -11.728 0.970 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.751 -0.311 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -12.184 -0.738 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -11.640 1.343 6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -12.091 -0.343 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.598 0.336 7.286 1.00 0.00 H new ATOM 661 N SER A 458 -10.117 -2.318 3.107 1.00 0.00 N ATOM 662 CA SER A 458 -10.565 -3.190 2.035 1.00 0.00 C ATOM 663 C SER A 458 -9.556 -4.320 1.825 1.00 0.00 C ATOM 664 O SER A 458 -9.715 -5.139 0.919 1.00 0.00 O ATOM 665 CB SER A 458 -10.767 -2.408 0.736 1.00 0.00 C ATOM 666 OG SER A 458 -11.488 -3.161 -0.235 1.00 0.00 O ATOM 0 H SER A 458 -9.522 -1.546 2.808 1.00 0.00 H new ATOM 0 HA SER A 458 -11.526 -3.618 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 458 -11.304 -1.484 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 458 -9.796 -2.126 0.328 1.00 0.00 H new ATOM 0 HG SER A 458 -11.156 -4.083 -0.246 1.00 0.00 H new ATOM 672 N ASN A 459 -8.539 -4.330 2.674 1.00 0.00 N ATOM 673 CA ASN A 459 -7.504 -5.345 2.591 1.00 0.00 C ATOM 674 C ASN A 459 -7.103 -5.774 4.004 1.00 0.00 C ATOM 675 O ASN A 459 -5.919 -5.808 4.335 1.00 0.00 O ATOM 676 CB ASN A 459 -6.256 -4.804 1.890 1.00 0.00 C ATOM 677 CG ASN A 459 -6.636 -3.867 0.742 1.00 0.00 C ATOM 678 OD1 ASN A 459 -7.284 -2.773 1.130 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -6.360 -4.121 -0.419 1.00 0.00 N flip ATOM 0 H ASN A 459 -8.410 -3.650 3.423 1.00 0.00 H new ATOM 0 HA ASN A 459 -7.901 -6.186 2.022 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -5.633 -4.271 2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -5.662 -5.633 1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.860 -4.980 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -6.629 -3.474 -1.160 1.00 0.00 H new ATOM 686 N PRO A 460 -8.140 -6.099 4.823 1.00 0.00 N ATOM 687 CA PRO A 460 -7.908 -6.524 6.193 1.00 0.00 C ATOM 688 C PRO A 460 -7.376 -7.959 6.239 1.00 0.00 C ATOM 689 O PRO A 460 -7.205 -8.527 7.317 1.00 0.00 O ATOM 690 CB PRO A 460 -9.250 -6.366 6.887 1.00 0.00 C ATOM 691 CG PRO A 460 -10.288 -6.304 5.779 1.00 0.00 C ATOM 692 CD PRO A 460 -9.555 -6.072 4.467 1.00 0.00 C ATOM 0 HA PRO A 460 -7.144 -5.930 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.444 -7.203 7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -9.272 -5.461 7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.859 -7.231 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.999 -5.500 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -9.795 -6.846 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.833 -5.117 4.022 1.00 0.00 H new ATOM 700 N CYS A 461 -7.129 -8.503 5.056 1.00 0.00 N ATOM 701 CA CYS A 461 -6.620 -9.860 4.948 1.00 0.00 C ATOM 702 C CYS A 461 -7.795 -10.827 5.109 1.00 0.00 C ATOM 703 O CYS A 461 -7.601 -11.991 5.458 1.00 0.00 O ATOM 704 CB CYS A 461 -5.512 -10.131 5.968 1.00 0.00 C ATOM 705 SG CYS A 461 -3.939 -10.729 5.251 1.00 0.00 S ATOM 0 H CYS A 461 -7.272 -8.029 4.164 1.00 0.00 H new ATOM 0 HA CYS A 461 -6.164 -10.004 3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -5.316 -9.214 6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -5.871 -10.868 6.686 1.00 0.00 H new ATOM 710 N GLN A 462 -8.986 -10.309 4.851 1.00 0.00 N ATOM 711 CA GLN A 462 -10.192 -11.113 4.963 1.00 0.00 C ATOM 712 C GLN A 462 -10.470 -11.450 6.429 1.00 0.00 C ATOM 713 O GLN A 462 -10.789 -10.565 7.223 1.00 0.00 O ATOM 714 CB GLN A 462 -10.084 -12.385 4.119 1.00 0.00 C ATOM 715 CG GLN A 462 -9.937 -12.046 2.634 1.00 0.00 C ATOM 716 CD GLN A 462 -10.090 -13.299 1.769 1.00 0.00 C ATOM 717 OE1 GLN A 462 -9.375 -14.338 2.191 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -10.807 -13.320 0.783 1.00 0.00 N flip ATOM 0 H GLN A 462 -9.143 -9.343 4.565 1.00 0.00 H new ATOM 0 HA GLN A 462 -11.030 -10.532 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -9.227 -12.973 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -10.970 -13.002 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.688 -11.309 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -8.962 -11.593 2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -11.329 -12.486 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -10.884 -14.171 0.227 1.00 0.00 H new ATOM 727 N ASN A 463 -10.340 -12.730 6.744 1.00 0.00 N ATOM 728 CA ASN A 463 -10.572 -13.195 8.101 1.00 0.00 C ATOM 729 C ASN A 463 -9.484 -14.197 8.487 1.00 0.00 C ATOM 730 O ASN A 463 -9.610 -14.902 9.486 1.00 0.00 O ATOM 731 CB ASN A 463 -11.926 -13.899 8.216 1.00 0.00 C ATOM 732 CG ASN A 463 -12.995 -13.171 7.398 1.00 0.00 C ATOM 733 OD1 ASN A 463 -13.597 -12.203 7.836 1.00 0.00 O ATOM 734 ND2 ASN A 463 -13.198 -13.689 6.190 1.00 0.00 N ATOM 0 H ASN A 463 -10.077 -13.460 6.082 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.557 -12.328 8.762 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -11.835 -14.928 7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -12.230 -13.942 9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -13.892 -13.275 5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.660 -14.500 5.886 1.00 0.00 H new ATOM 741 N ASP A 464 -8.439 -14.229 7.674 1.00 0.00 N ATOM 742 CA ASP A 464 -7.328 -15.134 7.917 1.00 0.00 C ATOM 743 C ASP A 464 -6.053 -14.320 8.142 1.00 0.00 C ATOM 744 O ASP A 464 -4.995 -14.658 7.612 1.00 0.00 O ATOM 745 CB ASP A 464 -7.096 -16.056 6.718 1.00 0.00 C ATOM 746 CG ASP A 464 -8.295 -16.215 5.782 1.00 0.00 C ATOM 747 OD1 ASP A 464 -9.387 -16.621 6.206 1.00 0.00 O ATOM 748 OD2 ASP A 464 -8.073 -15.898 4.551 1.00 0.00 O ATOM 0 H ASP A 464 -8.338 -13.643 6.846 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.569 -15.736 8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -6.253 -15.673 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -6.809 -17.041 7.087 1.00 0.00 H new ATOM 754 N ALA A 465 -6.194 -13.265 8.927 1.00 0.00 N ATOM 755 CA ALA A 465 -5.066 -12.399 9.229 1.00 0.00 C ATOM 756 C ALA A 465 -5.569 -11.140 9.938 1.00 0.00 C ATOM 757 O ALA A 465 -6.692 -10.696 9.701 1.00 0.00 O ATOM 758 CB ALA A 465 -4.308 -12.079 7.939 1.00 0.00 C ATOM 0 H ALA A 465 -7.073 -12.988 9.365 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.369 -12.899 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.462 -11.430 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.945 -13.004 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.976 -11.575 7.240 1.00 0.00 H new ATOM 764 N THR A 466 -4.715 -10.598 10.793 1.00 0.00 N ATOM 765 CA THR A 466 -5.058 -9.399 11.537 1.00 0.00 C ATOM 766 C THR A 466 -4.475 -8.161 10.852 1.00 0.00 C ATOM 767 O THR A 466 -3.263 -7.951 10.869 1.00 0.00 O ATOM 768 CB THR A 466 -4.576 -9.580 12.977 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.583 -10.386 13.582 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.611 -8.276 13.777 1.00 0.00 C ATOM 0 H THR A 466 -3.785 -10.968 10.987 1.00 0.00 H new ATOM 0 HA THR A 466 -6.137 -9.243 11.558 1.00 0.00 H new ATOM 0 HB THR A 466 -3.560 -9.974 12.971 1.00 0.00 H new ATOM 0 HG1 THR A 466 -5.349 -10.554 14.519 1.00 0.00 H new ATOM 0 HG21 THR A 466 -4.259 -8.462 14.792 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.967 -7.538 13.299 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.633 -7.897 13.811 1.00 0.00 H new ATOM 778 N CYS A 467 -5.366 -7.374 10.267 1.00 0.00 N ATOM 779 CA CYS A 467 -4.954 -6.162 9.578 1.00 0.00 C ATOM 780 C CYS A 467 -4.491 -5.147 10.624 1.00 0.00 C ATOM 781 O CYS A 467 -5.167 -4.938 11.633 1.00 0.00 O ATOM 782 CB CYS A 467 -6.073 -5.604 8.697 1.00 0.00 C ATOM 783 SG CYS A 467 -6.913 -4.122 9.369 1.00 0.00 S ATOM 0 H CYS A 467 -6.370 -7.551 10.256 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.128 -6.388 8.903 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -5.658 -5.357 7.720 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -6.816 -6.386 8.540 1.00 0.00 H new ATOM 788 N LEU A 468 -3.344 -4.543 10.352 1.00 0.00 N ATOM 789 CA LEU A 468 -2.784 -3.556 11.258 1.00 0.00 C ATOM 790 C LEU A 468 -2.496 -2.267 10.485 1.00 0.00 C ATOM 791 O LEU A 468 -1.391 -2.075 9.980 1.00 0.00 O ATOM 792 CB LEU A 468 -1.563 -4.124 11.982 1.00 0.00 C ATOM 793 CG LEU A 468 -1.853 -5.115 13.112 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.620 -5.317 13.995 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.073 -4.675 13.924 1.00 0.00 C ATOM 0 H LEU A 468 -2.787 -4.719 9.516 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.501 -3.307 12.040 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.927 -4.618 11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.990 -3.293 12.393 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.091 -6.081 12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.854 -6.026 14.790 1.00 0.00 H new ATOM 0 HD12 LEU A 468 0.200 -5.706 13.391 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.327 -4.363 14.434 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.259 -5.395 14.721 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.886 -3.693 14.359 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.945 -4.623 13.272 1.00 0.00 H new ATOM 807 N ASP A 469 -3.509 -1.416 10.418 1.00 0.00 N ATOM 808 CA ASP A 469 -3.378 -0.150 9.716 1.00 0.00 C ATOM 809 C ASP A 469 -2.330 0.714 10.422 1.00 0.00 C ATOM 810 O ASP A 469 -2.473 1.028 11.604 1.00 0.00 O ATOM 811 CB ASP A 469 -4.701 0.619 9.715 1.00 0.00 C ATOM 812 CG ASP A 469 -4.566 2.140 9.616 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.719 2.860 10.614 1.00 0.00 O ATOM 814 OD2 ASP A 469 -4.284 2.587 8.439 1.00 0.00 O ATOM 0 H ASP A 469 -4.424 -1.578 10.838 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.084 -0.363 8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.307 0.268 8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.245 0.376 10.628 1.00 0.00 H new ATOM 820 N GLN A 470 -1.301 1.074 9.669 1.00 0.00 N ATOM 821 CA GLN A 470 -0.231 1.896 10.207 1.00 0.00 C ATOM 822 C GLN A 470 -0.155 3.227 9.457 1.00 0.00 C ATOM 823 O GLN A 470 -1.028 3.540 8.650 1.00 0.00 O ATOM 824 CB GLN A 470 1.108 1.158 10.151 1.00 0.00 C ATOM 825 CG GLN A 470 1.465 0.564 11.515 1.00 0.00 C ATOM 826 CD GLN A 470 1.968 -0.874 11.374 1.00 0.00 C ATOM 827 OE1 GLN A 470 3.157 -1.144 11.350 1.00 0.00 O ATOM 828 NE2 GLN A 470 0.999 -1.779 11.281 1.00 0.00 N ATOM 0 H GLN A 470 -1.186 0.811 8.690 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.451 2.104 11.254 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.058 0.364 9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.893 1.845 9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.231 1.175 11.992 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.590 0.585 12.165 1.00 0.00 H new ATOM 0 HE21 GLN A 470 0.023 -1.485 11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 470 1.232 -2.767 11.183 1.00 0.00 H new ATOM 837 N ILE A 471 0.900 3.975 9.749 1.00 0.00 N ATOM 838 CA ILE A 471 1.101 5.265 9.112 1.00 0.00 C ATOM 839 C ILE A 471 1.534 5.050 7.661 1.00 0.00 C ATOM 840 O ILE A 471 2.532 4.379 7.400 1.00 0.00 O ATOM 841 CB ILE A 471 2.078 6.118 9.926 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.132 5.244 10.606 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.331 7.000 10.928 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.785 4.291 9.603 1.00 0.00 C ATOM 0 H ILE A 471 1.624 3.712 10.418 1.00 0.00 H new ATOM 0 HA ILE A 471 0.168 5.827 9.087 1.00 0.00 H new ATOM 0 HB ILE A 471 2.604 6.783 9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 471 3.894 5.876 11.062 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.670 4.671 11.410 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.048 7.596 11.493 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.650 7.662 10.393 1.00 0.00 H new ATOM 0 HG23 ILE A 471 0.762 6.371 11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.531 3.681 10.113 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.024 3.644 9.167 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.267 4.868 8.813 1.00 0.00 H new ATOM 856 N GLY A 472 0.762 5.632 6.755 1.00 0.00 N ATOM 857 CA GLY A 472 1.054 5.513 5.336 1.00 0.00 C ATOM 858 C GLY A 472 1.501 4.091 4.986 1.00 0.00 C ATOM 859 O GLY A 472 2.220 3.886 4.009 1.00 0.00 O ATOM 0 H GLY A 472 -0.065 6.187 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.169 5.773 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.835 6.222 5.061 1.00 0.00 H new ATOM 863 N GLU A 473 1.054 3.147 5.801 1.00 0.00 N ATOM 864 CA GLU A 473 1.398 1.753 5.589 1.00 0.00 C ATOM 865 C GLU A 473 0.507 0.850 6.445 1.00 0.00 C ATOM 866 O GLU A 473 0.005 1.274 7.485 1.00 0.00 O ATOM 867 CB GLU A 473 2.878 1.501 5.887 1.00 0.00 C ATOM 868 CG GLU A 473 3.131 1.435 7.393 1.00 0.00 C ATOM 869 CD GLU A 473 3.684 0.066 7.797 1.00 0.00 C ATOM 870 OE1 GLU A 473 2.989 -0.708 8.474 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.878 -0.184 7.383 1.00 0.00 O ATOM 0 H GLU A 473 0.457 3.321 6.609 1.00 0.00 H new ATOM 0 HA GLU A 473 1.226 1.513 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.192 0.567 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.481 2.296 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.835 2.215 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.203 1.629 7.930 1.00 0.00 H new ATOM 879 N PHE A 474 0.338 -0.377 5.976 1.00 0.00 N ATOM 880 CA PHE A 474 -0.484 -1.344 6.686 1.00 0.00 C ATOM 881 C PHE A 474 0.115 -2.748 6.590 1.00 0.00 C ATOM 882 O PHE A 474 0.801 -3.070 5.622 1.00 0.00 O ATOM 883 CB PHE A 474 -1.857 -1.340 6.014 1.00 0.00 C ATOM 884 CG PHE A 474 -2.124 -2.567 5.136 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.441 -3.758 5.711 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.045 -2.464 3.783 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.687 -4.896 4.898 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.291 -3.602 2.969 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.608 -4.794 3.545 1.00 0.00 C ATOM 0 H PHE A 474 0.756 -0.725 5.113 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.547 -1.077 7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.627 -1.282 6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.949 -0.442 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -2.506 -3.838 6.786 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.795 -1.517 3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.937 -5.842 5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.227 -3.522 1.894 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.797 -5.659 2.927 1.00 0.00 H new ATOM 899 N GLN A 475 -0.167 -3.547 7.610 1.00 0.00 N ATOM 900 CA GLN A 475 0.336 -4.910 7.654 1.00 0.00 C ATOM 901 C GLN A 475 -0.700 -5.838 8.291 1.00 0.00 C ATOM 902 O GLN A 475 -1.285 -5.504 9.322 1.00 0.00 O ATOM 903 CB GLN A 475 1.669 -4.979 8.400 1.00 0.00 C ATOM 904 CG GLN A 475 1.450 -5.282 9.884 1.00 0.00 C ATOM 905 CD GLN A 475 2.785 -5.361 10.628 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.469 -4.371 10.836 1.00 0.00 O ATOM 907 NE2 GLN A 475 3.117 -6.588 11.018 1.00 0.00 N ATOM 0 H GLN A 475 -0.737 -3.276 8.411 1.00 0.00 H new ATOM 0 HA GLN A 475 0.513 -5.244 6.632 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.299 -5.750 7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.200 -4.033 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.826 -4.507 10.329 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.913 -6.224 9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.499 -7.373 10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 475 3.989 -6.744 11.523 1.00 0.00 H new ATOM 916 N CYS A 476 -0.895 -6.983 7.655 1.00 0.00 N ATOM 917 CA CYS A 476 -1.850 -7.959 8.149 1.00 0.00 C ATOM 918 C CYS A 476 -1.072 -9.162 8.687 1.00 0.00 C ATOM 919 O CYS A 476 -0.239 -9.733 7.984 1.00 0.00 O ATOM 920 CB CYS A 476 -2.854 -8.367 7.068 1.00 0.00 C ATOM 921 SG CYS A 476 -2.335 -9.785 6.034 1.00 0.00 S ATOM 0 H CYS A 476 -0.408 -7.257 6.802 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.440 -7.519 8.953 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.802 -8.612 7.547 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.037 -7.510 6.420 1.00 0.00 H new ATOM 926 N ILE A 477 -1.370 -9.511 9.930 1.00 0.00 N ATOM 927 CA ILE A 477 -0.708 -10.636 10.570 1.00 0.00 C ATOM 928 C ILE A 477 -1.471 -11.922 10.245 1.00 0.00 C ATOM 929 O ILE A 477 -2.580 -12.131 10.733 1.00 0.00 O ATOM 930 CB ILE A 477 -0.547 -10.380 12.070 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.342 -9.161 12.324 1.00 0.00 C ATOM 932 CG2 ILE A 477 -0.028 -11.627 12.787 1.00 0.00 C ATOM 933 CD1 ILE A 477 -0.318 -7.882 11.804 1.00 0.00 C ATOM 0 H ILE A 477 -2.060 -9.035 10.511 1.00 0.00 H new ATOM 0 HA ILE A 477 0.303 -10.756 10.180 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.529 -10.156 12.486 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.537 -9.065 13.392 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.306 -9.301 11.835 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.077 -11.417 13.851 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -0.732 -12.447 12.647 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.941 -11.907 12.375 1.00 0.00 H new ATOM 0 HD11 ILE A 477 0.335 -7.031 11.997 1.00 0.00 H new ATOM 0 HD12 ILE A 477 -0.490 -7.971 10.731 1.00 0.00 H new ATOM 0 HD13 ILE A 477 -1.270 -7.731 12.312 1.00 0.00 H new ATOM 945 N CYS A 478 -0.844 -12.753 9.424 1.00 0.00 N ATOM 946 CA CYS A 478 -1.449 -14.013 9.028 1.00 0.00 C ATOM 947 C CYS A 478 -0.671 -15.149 9.695 1.00 0.00 C ATOM 948 O CYS A 478 0.251 -14.903 10.471 1.00 0.00 O ATOM 949 CB CYS A 478 -1.491 -14.167 7.506 1.00 0.00 C ATOM 950 SG CYS A 478 -0.540 -12.908 6.581 1.00 0.00 S ATOM 0 H CYS A 478 0.077 -12.578 9.022 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.487 -14.041 9.359 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -1.110 -15.154 7.244 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -2.530 -14.129 7.180 1.00 0.00 H new ATOM 955 N MET A 479 -1.072 -16.369 9.368 1.00 0.00 N ATOM 956 CA MET A 479 -0.424 -17.544 9.926 1.00 0.00 C ATOM 957 C MET A 479 0.826 -17.914 9.124 1.00 0.00 C ATOM 958 O MET A 479 0.906 -17.636 7.928 1.00 0.00 O ATOM 959 CB MET A 479 -1.403 -18.719 9.918 1.00 0.00 C ATOM 960 CG MET A 479 -2.438 -18.579 11.035 1.00 0.00 C ATOM 961 SD MET A 479 -1.632 -18.656 12.627 1.00 0.00 S ATOM 962 CE MET A 479 -2.968 -18.112 13.677 1.00 0.00 C ATOM 0 H MET A 479 -1.837 -16.569 8.724 1.00 0.00 H new ATOM 0 HA MET A 479 -0.122 -17.318 10.949 1.00 0.00 H new ATOM 0 HB2 MET A 479 -1.908 -18.769 8.954 1.00 0.00 H new ATOM 0 HB3 MET A 479 -0.856 -19.654 10.040 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.970 -17.633 10.933 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.181 -19.373 10.955 1.00 0.00 H new ATOM 0 HE1 MET A 479 -2.634 -18.101 14.715 1.00 0.00 H new ATOM 0 HE2 MET A 479 -3.275 -17.108 13.384 1.00 0.00 H new ATOM 0 HE3 MET A 479 -3.812 -18.794 13.575 1.00 0.00 H new ATOM 972 N PRO A 480 1.795 -18.552 9.833 1.00 0.00 N ATOM 973 CA PRO A 480 3.038 -18.963 9.201 1.00 0.00 C ATOM 974 C PRO A 480 2.821 -20.195 8.319 1.00 0.00 C ATOM 975 O PRO A 480 3.485 -21.215 8.499 1.00 0.00 O ATOM 976 CB PRO A 480 3.999 -19.215 10.349 1.00 0.00 C ATOM 977 CG PRO A 480 3.135 -19.387 11.587 1.00 0.00 C ATOM 978 CD PRO A 480 1.735 -18.898 11.249 1.00 0.00 C ATOM 0 HA PRO A 480 3.438 -18.207 8.526 1.00 0.00 H new ATOM 0 HB2 PRO A 480 4.601 -20.105 10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 480 4.691 -18.382 10.469 1.00 0.00 H new ATOM 0 HG2 PRO A 480 3.111 -20.433 11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 480 3.547 -18.820 12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 480 0.990 -19.671 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 480 1.460 -18.036 11.856 1.00 0.00 H new ATOM 986 N GLY A 481 1.892 -20.060 7.384 1.00 0.00 N ATOM 987 CA GLY A 481 1.581 -21.149 6.474 1.00 0.00 C ATOM 988 C GLY A 481 1.111 -20.616 5.121 1.00 0.00 C ATOM 989 O GLY A 481 1.524 -21.115 4.075 1.00 0.00 O ATOM 0 H GLY A 481 1.344 -19.212 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 481 2.463 -21.775 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 481 0.806 -21.781 6.909 1.00 0.00 H new ATOM 993 N TYR A 482 0.253 -19.608 5.183 1.00 0.00 N ATOM 994 CA TYR A 482 -0.277 -19.001 3.974 1.00 0.00 C ATOM 995 C TYR A 482 0.305 -17.601 3.764 1.00 0.00 C ATOM 996 O TYR A 482 0.970 -17.062 4.645 1.00 0.00 O ATOM 997 CB TYR A 482 -1.789 -18.885 4.189 1.00 0.00 C ATOM 998 CG TYR A 482 -2.541 -20.208 4.041 1.00 0.00 C ATOM 999 CD1 TYR A 482 -2.527 -21.129 5.068 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -3.234 -20.482 2.879 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -3.236 -22.375 4.929 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -3.943 -21.727 2.739 1.00 0.00 C ATOM 1003 CZ TYR A 482 -3.909 -22.613 3.771 1.00 0.00 C ATOM 1004 OH TYR A 482 -4.578 -23.789 3.639 1.00 0.00 O ATOM 0 H TYR A 482 -0.088 -19.197 6.052 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.023 -19.600 3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.974 -18.483 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.193 -18.167 3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -1.984 -20.916 5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -3.244 -19.762 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -3.233 -23.104 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -4.490 -21.953 1.835 1.00 0.00 H new ATOM 0 HH TYR A 482 -5.013 -23.821 2.761 1.00 0.00 H new ATOM 1014 N GLU A 483 0.031 -17.054 2.588 1.00 0.00 N ATOM 1015 CA GLU A 483 0.519 -15.728 2.248 1.00 0.00 C ATOM 1016 C GLU A 483 -0.348 -15.107 1.152 1.00 0.00 C ATOM 1017 O GLU A 483 -1.306 -15.725 0.688 1.00 0.00 O ATOM 1018 CB GLU A 483 1.988 -15.776 1.823 1.00 0.00 C ATOM 1019 CG GLU A 483 2.753 -14.565 2.357 1.00 0.00 C ATOM 1020 CD GLU A 483 3.761 -14.054 1.324 1.00 0.00 C ATOM 1021 OE1 GLU A 483 3.645 -12.912 0.856 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.692 -14.891 1.011 1.00 0.00 O ATOM 0 H GLU A 483 -0.522 -17.505 1.859 1.00 0.00 H new ATOM 0 HA GLU A 483 0.452 -15.100 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.447 -16.693 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 483 2.055 -15.802 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.052 -13.770 2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.274 -14.835 3.276 1.00 0.00 H new ATOM 1030 N GLY A 484 0.017 -13.892 0.769 1.00 0.00 N ATOM 1031 CA GLY A 484 -0.717 -13.181 -0.264 1.00 0.00 C ATOM 1032 C GLY A 484 -1.338 -11.897 0.290 1.00 0.00 C ATOM 1033 O GLY A 484 -0.945 -11.423 1.354 1.00 0.00 O ATOM 0 H GLY A 484 0.811 -13.382 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.048 -12.939 -1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.500 -13.824 -0.667 1.00 0.00 H new ATOM 1037 N VAL A 485 -2.295 -11.370 -0.458 1.00 0.00 N ATOM 1038 CA VAL A 485 -2.973 -10.149 -0.056 1.00 0.00 C ATOM 1039 C VAL A 485 -4.006 -10.477 1.025 1.00 0.00 C ATOM 1040 O VAL A 485 -4.208 -9.696 1.954 1.00 0.00 O ATOM 1041 CB VAL A 485 -3.585 -9.462 -1.279 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -5.097 -9.686 -1.334 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -3.250 -7.970 -1.293 1.00 0.00 C ATOM 0 H VAL A 485 -2.618 -11.766 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 485 -2.264 -9.443 0.375 1.00 0.00 H new ATOM 0 HB VAL A 485 -3.148 -9.912 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -5.507 -9.187 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -5.305 -10.754 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -5.558 -9.276 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -3.696 -7.505 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -3.646 -7.500 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -2.168 -7.840 -1.324 1.00 0.00 H new ATOM 1053 N HIS A 486 -4.634 -11.634 0.867 1.00 0.00 N ATOM 1054 CA HIS A 486 -5.641 -12.075 1.817 1.00 0.00 C ATOM 1055 C HIS A 486 -5.082 -13.222 2.661 1.00 0.00 C ATOM 1056 O HIS A 486 -5.820 -13.868 3.403 1.00 0.00 O ATOM 1057 CB HIS A 486 -6.940 -12.445 1.099 1.00 0.00 C ATOM 1058 CG HIS A 486 -6.743 -13.333 -0.107 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -5.673 -14.084 -0.496 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -7.722 -13.519 -1.068 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -5.982 -14.694 -1.632 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -7.251 -14.345 -1.989 1.00 0.00 N flip ATOM 0 H HIS A 486 -4.464 -12.279 0.095 1.00 0.00 H new ATOM 0 HA HIS A 486 -5.889 -11.259 2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -7.602 -12.948 1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -7.443 -11.530 0.786 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -8.703 -13.067 -1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -5.334 -15.359 -2.184 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -7.750 -14.664 -2.820 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.782 -13.440 2.519 1.00 0.00 N ATOM 1071 CA CYS A 487 -3.117 -14.498 3.260 1.00 0.00 C ATOM 1072 C CYS A 487 -4.027 -15.729 3.263 1.00 0.00 C ATOM 1073 O CYS A 487 -4.291 -16.305 4.316 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.753 -14.054 4.677 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.507 -12.716 4.767 1.00 0.00 S ATOM 0 H CYS A 487 -3.173 -12.902 1.902 1.00 0.00 H new ATOM 0 HA CYS A 487 -2.173 -14.747 2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.660 -13.721 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.379 -14.917 5.228 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.480 -16.091 2.073 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.356 -17.242 1.926 1.00 0.00 C ATOM 1082 C GLU A 488 -4.791 -18.209 0.882 1.00 0.00 C ATOM 1083 O GLU A 488 -5.392 -19.245 0.601 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.776 -16.808 1.560 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.769 -17.954 1.764 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.133 -18.107 3.242 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -7.286 -18.516 4.051 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.345 -17.782 3.543 1.00 0.00 O ATOM 0 H GLU A 488 -4.258 -15.609 1.202 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.406 -17.760 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.069 -15.955 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.803 -16.479 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -8.671 -17.767 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -7.338 -18.884 1.394 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.643 -17.835 0.338 1.00 0.00 N ATOM 1097 CA VAL A 489 -2.989 -18.655 -0.669 1.00 0.00 C ATOM 1098 C VAL A 489 -2.040 -19.639 0.018 1.00 0.00 C ATOM 1099 O VAL A 489 -1.223 -19.241 0.847 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.289 -17.764 -1.696 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.984 -16.405 -1.808 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -0.807 -17.596 -1.355 1.00 0.00 C ATOM 0 H VAL A 489 -3.148 -16.975 0.575 1.00 0.00 H new ATOM 0 HA VAL A 489 -3.724 -19.244 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 489 -2.356 -18.255 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.466 -15.791 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -4.019 -16.550 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.963 -15.905 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -0.332 -16.958 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -0.710 -17.138 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -0.322 -18.572 -1.350 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.178 -20.903 -0.353 1.00 0.00 N ATOM 1113 CA ASN A 490 -1.341 -21.945 0.216 1.00 0.00 C ATOM 1114 C ASN A 490 0.058 -21.863 -0.396 1.00 0.00 C ATOM 1115 O ASN A 490 0.317 -22.453 -1.444 1.00 0.00 O ATOM 1116 CB ASN A 490 -1.909 -23.333 -0.087 1.00 0.00 C ATOM 1117 CG ASN A 490 -2.305 -23.454 -1.559 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -1.921 -22.657 -2.400 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -3.091 -24.492 -1.825 1.00 0.00 N ATOM 0 H ASN A 490 -2.857 -21.229 -1.041 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.305 -21.796 1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -1.168 -24.094 0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -2.778 -23.520 0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -3.409 -24.659 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -3.376 -25.121 -1.075 1.00 0.00 H new ATOM 1126 N THR A 491 0.924 -21.124 0.284 1.00 0.00 N ATOM 1127 CA THR A 491 2.291 -20.955 -0.181 1.00 0.00 C ATOM 1128 C THR A 491 2.305 -20.457 -1.626 1.00 0.00 C ATOM 1129 O THR A 491 1.275 -20.462 -2.299 1.00 0.00 O ATOM 1130 CB THR A 491 3.022 -22.286 0.011 1.00 0.00 C ATOM 1131 OG1 THR A 491 2.991 -22.501 1.419 1.00 0.00 O ATOM 1132 CG2 THR A 491 4.512 -22.188 -0.318 1.00 0.00 C ATOM 0 H THR A 491 0.705 -20.636 1.153 1.00 0.00 H new ATOM 0 HA THR A 491 2.815 -20.193 0.396 1.00 0.00 H new ATOM 0 HB THR A 491 2.560 -23.047 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 491 3.443 -23.345 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 491 4.983 -23.159 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 491 4.636 -21.884 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 491 4.981 -21.451 0.334 1.00 0.00 H new ATOM 1140 N ASP A 492 3.484 -20.036 -2.062 1.00 0.00 N ATOM 1141 CA ASP A 492 3.646 -19.533 -3.415 1.00 0.00 C ATOM 1142 C ASP A 492 4.002 -20.695 -4.346 1.00 0.00 C ATOM 1143 O ASP A 492 4.347 -21.782 -3.884 1.00 0.00 O ATOM 1144 CB ASP A 492 4.776 -18.504 -3.489 1.00 0.00 C ATOM 1145 CG ASP A 492 6.179 -19.094 -3.643 1.00 0.00 C ATOM 1146 OD1 ASP A 492 6.975 -19.106 -2.692 1.00 0.00 O ATOM 1147 OD2 ASP A 492 6.448 -19.563 -4.815 1.00 0.00 O ATOM 0 H ASP A 492 4.336 -20.033 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 492 2.710 -19.062 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 492 4.585 -17.837 -4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 492 4.752 -17.894 -2.586 1.00 0.00 H new ATOM 1153 N GLU A 493 3.906 -20.426 -5.639 1.00 0.00 N ATOM 1154 CA GLU A 493 4.214 -21.434 -6.638 1.00 0.00 C ATOM 1155 C GLU A 493 4.775 -20.776 -7.901 1.00 0.00 C ATOM 1156 O GLU A 493 4.587 -21.284 -9.006 1.00 0.00 O ATOM 1157 CB GLU A 493 2.981 -22.280 -6.961 1.00 0.00 C ATOM 1158 CG GLU A 493 2.470 -23.003 -5.715 1.00 0.00 C ATOM 1159 CD GLU A 493 1.518 -22.112 -4.916 1.00 0.00 C ATOM 1160 OE1 GLU A 493 1.529 -20.884 -5.085 1.00 0.00 O ATOM 1161 OE2 GLU A 493 0.742 -22.739 -4.097 1.00 0.00 O ATOM 0 H GLU A 493 3.619 -19.524 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 493 4.975 -22.101 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 493 2.194 -21.643 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 493 3.228 -23.009 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 493 1.957 -23.920 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 493 3.313 -23.295 -5.088 1.00 0.00 H new ATOM 1169 N CYS A 494 5.454 -19.657 -7.696 1.00 0.00 N ATOM 1170 CA CYS A 494 6.043 -18.925 -8.804 1.00 0.00 C ATOM 1171 C CYS A 494 7.413 -18.408 -8.363 1.00 0.00 C ATOM 1172 O CYS A 494 7.859 -17.354 -8.816 1.00 0.00 O ATOM 1173 CB CYS A 494 5.133 -17.793 -9.282 1.00 0.00 C ATOM 1174 SG CYS A 494 4.249 -18.128 -10.848 1.00 0.00 S ATOM 0 H CYS A 494 5.609 -19.239 -6.778 1.00 0.00 H new ATOM 0 HA CYS A 494 6.164 -19.590 -9.659 1.00 0.00 H new ATOM 0 HB2 CYS A 494 4.399 -17.583 -8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 494 5.733 -16.891 -9.406 1.00 0.00 H new ATOM 1179 N ALA A 495 8.044 -19.170 -7.482 1.00 0.00 N ATOM 1180 CA ALA A 495 9.354 -18.803 -6.974 1.00 0.00 C ATOM 1181 C ALA A 495 10.407 -19.055 -8.057 1.00 0.00 C ATOM 1182 O ALA A 495 11.531 -18.567 -7.961 1.00 0.00 O ATOM 1183 CB ALA A 495 9.643 -19.582 -5.691 1.00 0.00 C ATOM 0 H ALA A 495 7.671 -20.042 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 495 9.383 -17.742 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 495 10.627 -19.305 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 495 8.886 -19.346 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 495 9.623 -20.651 -5.902 1.00 0.00 H new ATOM 1189 N SER A 496 10.002 -19.817 -9.063 1.00 0.00 N ATOM 1190 CA SER A 496 10.895 -20.139 -10.163 1.00 0.00 C ATOM 1191 C SER A 496 10.639 -19.196 -11.339 1.00 0.00 C ATOM 1192 O SER A 496 11.577 -18.728 -11.980 1.00 0.00 O ATOM 1193 CB SER A 496 10.723 -21.595 -10.602 1.00 0.00 C ATOM 1194 OG SER A 496 11.788 -22.421 -10.138 1.00 0.00 O ATOM 0 H SER A 496 9.068 -20.220 -9.139 1.00 0.00 H new ATOM 0 HA SER A 496 11.921 -20.009 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 496 9.775 -21.978 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 496 10.675 -21.643 -11.690 1.00 0.00 H new ATOM 0 HG SER A 496 11.641 -23.343 -10.437 1.00 0.00 H new ATOM 1200 N SER A 497 9.361 -18.945 -11.588 1.00 0.00 N ATOM 1201 CA SER A 497 8.969 -18.067 -12.677 1.00 0.00 C ATOM 1202 C SER A 497 8.444 -16.744 -12.117 1.00 0.00 C ATOM 1203 O SER A 497 7.308 -16.669 -11.653 1.00 0.00 O ATOM 1204 CB SER A 497 7.909 -18.726 -13.564 1.00 0.00 C ATOM 1205 OG SER A 497 7.083 -19.625 -12.828 1.00 0.00 O ATOM 0 H SER A 497 8.584 -19.335 -11.054 1.00 0.00 H new ATOM 0 HA SER A 497 9.847 -17.872 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 497 7.289 -17.955 -14.022 1.00 0.00 H new ATOM 0 HB3 SER A 497 8.399 -19.265 -14.375 1.00 0.00 H new ATOM 0 HG SER A 497 6.398 -19.118 -12.344 1.00 0.00 H new ATOM 1211 N PRO A 498 9.319 -15.704 -12.183 1.00 0.00 N ATOM 1212 CA PRO A 498 8.955 -14.388 -11.688 1.00 0.00 C ATOM 1213 C PRO A 498 7.996 -13.686 -12.652 1.00 0.00 C ATOM 1214 O PRO A 498 7.395 -12.670 -12.306 1.00 0.00 O ATOM 1215 CB PRO A 498 10.275 -13.652 -11.523 1.00 0.00 C ATOM 1216 CG PRO A 498 11.286 -14.412 -12.363 1.00 0.00 C ATOM 1217 CD PRO A 498 10.673 -15.756 -12.727 1.00 0.00 C ATOM 0 HA PRO A 498 8.415 -14.428 -10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 498 10.189 -12.618 -11.857 1.00 0.00 H new ATOM 0 HB3 PRO A 498 10.579 -13.625 -10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 498 11.535 -13.849 -13.263 1.00 0.00 H new ATOM 0 HG3 PRO A 498 12.214 -14.553 -11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 498 10.661 -15.907 -13.806 1.00 0.00 H new ATOM 0 HD3 PRO A 498 11.242 -16.580 -12.297 1.00 0.00 H new ATOM 1225 N CYS A 499 7.883 -14.255 -13.843 1.00 0.00 N ATOM 1226 CA CYS A 499 7.008 -13.697 -14.859 1.00 0.00 C ATOM 1227 C CYS A 499 7.628 -12.393 -15.366 1.00 0.00 C ATOM 1228 O CYS A 499 7.838 -12.226 -16.565 1.00 0.00 O ATOM 1229 CB CYS A 499 5.588 -13.484 -14.329 1.00 0.00 C ATOM 1230 SG CYS A 499 4.637 -15.021 -14.044 1.00 0.00 S ATOM 0 H CYS A 499 8.383 -15.097 -14.127 1.00 0.00 H new ATOM 0 HA CYS A 499 6.915 -14.400 -15.687 1.00 0.00 H new ATOM 0 HB2 CYS A 499 5.644 -12.929 -13.392 1.00 0.00 H new ATOM 0 HB3 CYS A 499 5.041 -12.861 -15.036 1.00 0.00 H new ATOM 1235 N LEU A 500 7.904 -11.502 -14.424 1.00 0.00 N ATOM 1236 CA LEU A 500 8.497 -10.218 -14.758 1.00 0.00 C ATOM 1237 C LEU A 500 7.410 -9.283 -15.291 1.00 0.00 C ATOM 1238 O LEU A 500 6.228 -9.480 -15.014 1.00 0.00 O ATOM 1239 CB LEU A 500 9.673 -10.405 -15.721 1.00 0.00 C ATOM 1240 CG LEU A 500 11.024 -9.874 -15.240 1.00 0.00 C ATOM 1241 CD1 LEU A 500 11.155 -8.376 -15.524 1.00 0.00 C ATOM 1242 CD2 LEU A 500 11.248 -10.198 -13.762 1.00 0.00 C ATOM 0 H LEU A 500 7.728 -11.644 -13.429 1.00 0.00 H new ATOM 0 HA LEU A 500 8.915 -9.748 -13.868 1.00 0.00 H new ATOM 0 HB2 LEU A 500 9.778 -11.469 -15.933 1.00 0.00 H new ATOM 0 HB3 LEU A 500 9.427 -9.915 -16.663 1.00 0.00 H new ATOM 0 HG LEU A 500 11.809 -10.380 -15.802 1.00 0.00 H new ATOM 0 HD11 LEU A 500 12.124 -8.022 -15.173 1.00 0.00 H new ATOM 0 HD12 LEU A 500 11.072 -8.200 -16.597 1.00 0.00 H new ATOM 0 HD13 LEU A 500 10.362 -7.837 -15.005 1.00 0.00 H new ATOM 0 HD21 LEU A 500 12.216 -9.809 -13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 500 10.460 -9.738 -13.165 1.00 0.00 H new ATOM 0 HD23 LEU A 500 11.227 -11.278 -13.619 1.00 0.00 H new ATOM 1254 N HIS A 501 7.849 -8.286 -16.044 1.00 0.00 N ATOM 1255 CA HIS A 501 6.929 -7.320 -16.618 1.00 0.00 C ATOM 1256 C HIS A 501 6.306 -7.896 -17.891 1.00 0.00 C ATOM 1257 O HIS A 501 5.570 -7.206 -18.594 1.00 0.00 O ATOM 1258 CB HIS A 501 7.625 -5.979 -16.854 1.00 0.00 C ATOM 1259 CG HIS A 501 7.808 -5.152 -15.603 1.00 0.00 C ATOM 1260 ND1 HIS A 501 6.988 -4.083 -15.284 1.00 0.00 N ATOM 1261 CD2 HIS A 501 8.723 -5.250 -14.595 1.00 0.00 C ATOM 1262 CE1 HIS A 501 7.401 -3.568 -14.136 1.00 0.00 C ATOM 1263 NE2 HIS A 501 8.477 -4.292 -13.711 1.00 0.00 N ATOM 0 H HIS A 501 8.831 -8.126 -16.270 1.00 0.00 H new ATOM 0 HA HIS A 501 6.119 -7.124 -15.915 1.00 0.00 H new ATOM 0 HB2 HIS A 501 8.602 -6.162 -17.302 1.00 0.00 H new ATOM 0 HB3 HIS A 501 7.046 -5.403 -17.576 1.00 0.00 H new ATOM 0 HD2 HIS A 501 9.513 -5.983 -14.528 1.00 0.00 H new ATOM 0 HE1 HIS A 501 6.963 -2.723 -13.625 1.00 0.00 H new ATOM 0 HE2 HIS A 501 9.005 -4.124 -12.855 1.00 0.00 H new ATOM 1271 N ASN A 502 6.625 -9.156 -18.149 1.00 0.00 N ATOM 1272 CA ASN A 502 6.105 -9.834 -19.325 1.00 0.00 C ATOM 1273 C ASN A 502 4.897 -10.683 -18.927 1.00 0.00 C ATOM 1274 O ASN A 502 4.320 -11.377 -19.762 1.00 0.00 O ATOM 1275 CB ASN A 502 7.157 -10.765 -19.933 1.00 0.00 C ATOM 1276 CG ASN A 502 7.855 -10.101 -21.123 1.00 0.00 C ATOM 1277 OD1 ASN A 502 8.960 -9.594 -21.024 1.00 0.00 O ATOM 1278 ND2 ASN A 502 7.148 -10.132 -22.249 1.00 0.00 N ATOM 0 H ASN A 502 7.237 -9.725 -17.564 1.00 0.00 H new ATOM 0 HA ASN A 502 5.827 -9.075 -20.057 1.00 0.00 H new ATOM 0 HB2 ASN A 502 7.895 -11.030 -19.176 1.00 0.00 H new ATOM 0 HB3 ASN A 502 6.684 -11.693 -20.255 1.00 0.00 H new ATOM 0 HD21 ASN A 502 7.525 -9.715 -23.100 1.00 0.00 H new ATOM 0 HD22 ASN A 502 6.228 -10.573 -22.262 1.00 0.00 H new ATOM 1285 N GLY A 503 4.549 -10.600 -17.651 1.00 0.00 N ATOM 1286 CA GLY A 503 3.419 -11.351 -17.134 1.00 0.00 C ATOM 1287 C GLY A 503 3.298 -11.183 -15.618 1.00 0.00 C ATOM 1288 O GLY A 503 4.264 -10.813 -14.951 1.00 0.00 O ATOM 0 H GLY A 503 5.030 -10.024 -16.960 1.00 0.00 H new ATOM 0 HA2 GLY A 503 2.502 -11.013 -17.616 1.00 0.00 H new ATOM 0 HA3 GLY A 503 3.537 -12.407 -17.378 1.00 0.00 H new ATOM 1292 N ARG A 504 2.103 -11.462 -15.117 1.00 0.00 N ATOM 1293 CA ARG A 504 1.843 -11.346 -13.693 1.00 0.00 C ATOM 1294 C ARG A 504 1.509 -12.717 -13.101 1.00 0.00 C ATOM 1295 O ARG A 504 0.479 -13.304 -13.429 1.00 0.00 O ATOM 1296 CB ARG A 504 0.683 -10.385 -13.421 1.00 0.00 C ATOM 1297 CG ARG A 504 0.459 -10.209 -11.918 1.00 0.00 C ATOM 1298 CD ARG A 504 0.915 -8.823 -11.455 1.00 0.00 C ATOM 1299 NE ARG A 504 -0.078 -8.251 -10.517 1.00 0.00 N ATOM 1300 CZ ARG A 504 0.186 -7.244 -9.658 1.00 0.00 C ATOM 1301 NH1 ARG A 504 1.417 -6.690 -9.606 1.00 0.00 N ATOM 1302 NH2 ARG A 504 -0.776 -6.811 -8.864 1.00 0.00 N ATOM 0 H ARG A 504 1.304 -11.768 -15.673 1.00 0.00 H new ATOM 0 HA ARG A 504 2.744 -10.953 -13.223 1.00 0.00 H new ATOM 0 HB2 ARG A 504 0.893 -9.417 -13.877 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -0.226 -10.766 -13.886 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -0.597 -10.345 -11.686 1.00 0.00 H new ATOM 0 HG3 ARG A 504 1.007 -10.977 -11.372 1.00 0.00 H new ATOM 0 HD2 ARG A 504 1.888 -8.895 -10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 504 1.036 -8.165 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 504 -1.020 -8.642 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 504 2.157 -7.032 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 504 1.607 -5.929 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -1.702 -7.237 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -0.593 -6.051 -8.209 1.00 0.00 H new ATOM 1315 N CYS A 505 2.399 -13.187 -12.239 1.00 0.00 N ATOM 1316 CA CYS A 505 2.213 -14.478 -11.598 1.00 0.00 C ATOM 1317 C CYS A 505 1.204 -14.307 -10.460 1.00 0.00 C ATOM 1318 O CYS A 505 1.538 -13.766 -9.407 1.00 0.00 O ATOM 1319 CB CYS A 505 3.537 -15.061 -11.104 1.00 0.00 C ATOM 1320 SG CYS A 505 4.095 -16.559 -11.994 1.00 0.00 S ATOM 0 H CYS A 505 3.252 -12.696 -11.969 1.00 0.00 H new ATOM 0 HA CYS A 505 1.825 -15.194 -12.322 1.00 0.00 H new ATOM 0 HB2 CYS A 505 4.309 -14.296 -11.189 1.00 0.00 H new ATOM 0 HB3 CYS A 505 3.440 -15.300 -10.045 1.00 0.00 H new ATOM 1325 N LEU A 506 -0.008 -14.779 -10.711 1.00 0.00 N ATOM 1326 CA LEU A 506 -1.067 -14.686 -9.719 1.00 0.00 C ATOM 1327 C LEU A 506 -0.870 -15.777 -8.665 1.00 0.00 C ATOM 1328 O LEU A 506 -0.437 -16.883 -8.984 1.00 0.00 O ATOM 1329 CB LEU A 506 -2.439 -14.724 -10.396 1.00 0.00 C ATOM 1330 CG LEU A 506 -3.264 -13.438 -10.312 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -2.541 -12.277 -10.996 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -4.669 -13.652 -10.878 1.00 0.00 C ATOM 0 H LEU A 506 -0.281 -15.227 -11.586 1.00 0.00 H new ATOM 0 HA LEU A 506 -1.020 -13.729 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -2.296 -14.973 -11.448 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -3.019 -15.534 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 506 -3.377 -13.172 -9.261 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -3.149 -11.375 -10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -1.581 -12.108 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -2.377 -12.519 -12.046 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -5.235 -12.723 -10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -4.598 -13.955 -11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -5.176 -14.431 -10.308 1.00 0.00 H new ATOM 1344 N ASP A 507 -1.198 -15.428 -7.429 1.00 0.00 N ATOM 1345 CA ASP A 507 -1.063 -16.365 -6.326 1.00 0.00 C ATOM 1346 C ASP A 507 -2.449 -16.873 -5.922 1.00 0.00 C ATOM 1347 O ASP A 507 -3.041 -16.377 -4.967 1.00 0.00 O ATOM 1348 CB ASP A 507 -0.433 -15.690 -5.106 1.00 0.00 C ATOM 1349 CG ASP A 507 0.276 -16.639 -4.138 1.00 0.00 C ATOM 1350 OD1 ASP A 507 1.135 -16.220 -3.347 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -0.089 -17.874 -4.219 1.00 0.00 O ATOM 0 H ASP A 507 -1.557 -14.510 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 507 -0.425 -17.185 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 507 0.284 -14.945 -5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.212 -15.155 -4.562 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.925 -17.857 -6.673 1.00 0.00 N ATOM 1358 CA LYS A 508 -4.230 -18.439 -6.405 1.00 0.00 C ATOM 1359 C LYS A 508 -4.097 -19.491 -5.303 1.00 0.00 C ATOM 1360 O LYS A 508 -2.999 -19.970 -5.025 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.852 -18.974 -7.695 1.00 0.00 C ATOM 1362 CG LYS A 508 -4.839 -17.910 -8.793 1.00 0.00 C ATOM 1363 CD LYS A 508 -6.219 -17.768 -9.438 1.00 0.00 C ATOM 1364 CE LYS A 508 -6.172 -16.818 -10.636 1.00 0.00 C ATOM 1365 NZ LYS A 508 -7.005 -17.337 -11.743 1.00 0.00 N ATOM 0 H LYS A 508 -2.431 -18.265 -7.466 1.00 0.00 H new ATOM 0 HA LYS A 508 -4.919 -17.678 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.303 -19.854 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.877 -19.292 -7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -4.530 -16.953 -8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -4.104 -18.176 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -6.576 -18.746 -9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -6.931 -17.395 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -6.526 -15.831 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -5.142 -16.699 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -6.961 -16.680 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -6.650 -18.269 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -7.990 -17.428 -11.423 1.00 0.00 H new ATOM 1378 N ILE A 509 -5.231 -19.820 -4.704 1.00 0.00 N ATOM 1379 CA ILE A 509 -5.257 -20.807 -3.639 1.00 0.00 C ATOM 1380 C ILE A 509 -5.286 -22.210 -4.249 1.00 0.00 C ATOM 1381 O ILE A 509 -6.304 -22.897 -4.187 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.415 -20.530 -2.678 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -6.805 -19.051 -2.703 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -6.082 -21.012 -1.263 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -7.986 -18.811 -3.646 1.00 0.00 C ATOM 0 H ILE A 509 -6.140 -19.420 -4.936 1.00 0.00 H new ATOM 0 HA ILE A 509 -4.351 -20.740 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 509 -7.282 -21.098 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.066 -18.723 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -5.952 -18.452 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.922 -20.803 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.891 -22.085 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.196 -20.492 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -8.243 -17.752 -3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -7.713 -19.117 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -8.844 -19.393 -3.310 1.00 0.00 H new ATOM 1397 N ASN A 510 -4.156 -22.594 -4.825 1.00 0.00 N ATOM 1398 CA ASN A 510 -4.038 -23.903 -5.445 1.00 0.00 C ATOM 1399 C ASN A 510 -2.808 -23.923 -6.355 1.00 0.00 C ATOM 1400 O ASN A 510 -2.073 -24.908 -6.387 1.00 0.00 O ATOM 1401 CB ASN A 510 -5.265 -24.215 -6.304 1.00 0.00 C ATOM 1402 CG ASN A 510 -5.982 -25.470 -5.799 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -5.716 -26.582 -6.226 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -6.903 -25.231 -4.871 1.00 0.00 N ATOM 0 H ASN A 510 -3.314 -22.021 -4.875 1.00 0.00 H new ATOM 0 HA ASN A 510 -3.952 -24.646 -4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -5.951 -23.368 -6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -4.961 -24.358 -7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -7.437 -26.003 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -7.076 -24.276 -4.558 1.00 0.00 H new ATOM 1411 N GLU A 511 -2.622 -22.822 -7.070 1.00 0.00 N ATOM 1412 CA GLU A 511 -1.494 -22.703 -7.977 1.00 0.00 C ATOM 1413 C GLU A 511 -1.364 -21.261 -8.474 1.00 0.00 C ATOM 1414 O GLU A 511 -2.203 -20.416 -8.166 1.00 0.00 O ATOM 1415 CB GLU A 511 -1.625 -23.677 -9.150 1.00 0.00 C ATOM 1416 CG GLU A 511 -0.399 -24.586 -9.246 1.00 0.00 C ATOM 1417 CD GLU A 511 -0.006 -24.822 -10.706 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -0.885 -24.982 -11.567 1.00 0.00 O ATOM 1419 OE2 GLU A 511 1.264 -24.838 -10.933 1.00 0.00 O ATOM 0 H GLU A 511 -3.233 -22.006 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 511 -0.587 -22.964 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -2.523 -24.283 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -1.743 -23.119 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 511 0.436 -24.135 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -0.610 -25.540 -8.763 1.00 0.00 H new ATOM 1427 N PHE A 512 -0.306 -21.025 -9.235 1.00 0.00 N ATOM 1428 CA PHE A 512 -0.056 -19.700 -9.778 1.00 0.00 C ATOM 1429 C PHE A 512 -0.409 -19.641 -11.265 1.00 0.00 C ATOM 1430 O PHE A 512 -0.228 -20.618 -11.989 1.00 0.00 O ATOM 1431 CB PHE A 512 1.441 -19.423 -9.612 1.00 0.00 C ATOM 1432 CG PHE A 512 1.764 -18.386 -8.534 1.00 0.00 C ATOM 1433 CD1 PHE A 512 1.688 -18.725 -7.219 1.00 0.00 C ATOM 1434 CD2 PHE A 512 2.128 -17.126 -8.891 1.00 0.00 C ATOM 1435 CE1 PHE A 512 1.988 -17.763 -6.219 1.00 0.00 C ATOM 1436 CE2 PHE A 512 2.429 -16.163 -7.890 1.00 0.00 C ATOM 1437 CZ PHE A 512 2.353 -16.503 -6.576 1.00 0.00 C ATOM 0 H PHE A 512 0.388 -21.728 -9.489 1.00 0.00 H new ATOM 0 HA PHE A 512 -0.667 -18.964 -9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 512 1.948 -20.356 -9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 512 1.845 -19.080 -10.565 1.00 0.00 H new ATOM 0 HD1 PHE A 512 1.399 -19.726 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 512 2.188 -16.857 -9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 512 1.926 -18.032 -5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 512 2.718 -15.162 -8.173 1.00 0.00 H new ATOM 0 HZ PHE A 512 2.583 -15.772 -5.815 1.00 0.00 H new ATOM 1447 N GLN A 513 -0.909 -18.484 -11.677 1.00 0.00 N ATOM 1448 CA GLN A 513 -1.289 -18.285 -13.065 1.00 0.00 C ATOM 1449 C GLN A 513 -0.681 -16.988 -13.601 1.00 0.00 C ATOM 1450 O GLN A 513 -1.100 -15.897 -13.222 1.00 0.00 O ATOM 1451 CB GLN A 513 -2.811 -18.282 -13.220 1.00 0.00 C ATOM 1452 CG GLN A 513 -3.242 -19.133 -14.418 1.00 0.00 C ATOM 1453 CD GLN A 513 -3.596 -20.556 -13.979 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -4.703 -20.846 -13.556 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -2.595 -21.424 -14.102 1.00 0.00 N ATOM 0 H GLN A 513 -1.059 -17.676 -11.073 1.00 0.00 H new ATOM 0 HA GLN A 513 -0.898 -19.116 -13.652 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -3.273 -18.667 -12.311 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -3.165 -17.259 -13.350 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.103 -18.674 -14.904 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -2.439 -19.165 -15.154 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -1.693 -21.114 -14.464 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -2.730 -22.399 -13.835 1.00 0.00 H new ATOM 1464 N CYS A 514 0.301 -17.151 -14.479 1.00 0.00 N ATOM 1465 CA CYS A 514 0.972 -16.008 -15.070 1.00 0.00 C ATOM 1466 C CYS A 514 0.049 -15.405 -16.132 1.00 0.00 C ATOM 1467 O CYS A 514 -0.121 -15.975 -17.208 1.00 0.00 O ATOM 1468 CB CYS A 514 2.335 -16.390 -15.651 1.00 0.00 C ATOM 1469 SG CYS A 514 3.507 -14.996 -15.836 1.00 0.00 S ATOM 0 H CYS A 514 0.646 -18.058 -14.794 1.00 0.00 H new ATOM 0 HA CYS A 514 1.174 -15.264 -14.299 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.789 -17.146 -15.010 1.00 0.00 H new ATOM 0 HB3 CYS A 514 2.182 -16.850 -16.627 1.00 0.00 H new ATOM 1474 N GLU A 515 -0.525 -14.260 -15.791 1.00 0.00 N ATOM 1475 CA GLU A 515 -1.427 -13.575 -16.701 1.00 0.00 C ATOM 1476 C GLU A 515 -0.656 -12.559 -17.548 1.00 0.00 C ATOM 1477 O GLU A 515 0.568 -12.632 -17.650 1.00 0.00 O ATOM 1478 CB GLU A 515 -2.567 -12.899 -15.937 1.00 0.00 C ATOM 1479 CG GLU A 515 -2.049 -11.721 -15.109 1.00 0.00 C ATOM 1480 CD GLU A 515 -3.136 -10.657 -14.931 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -3.749 -10.572 -13.857 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -3.332 -9.901 -15.957 1.00 0.00 O ATOM 0 H GLU A 515 -0.383 -13.790 -14.897 1.00 0.00 H new ATOM 0 HA GLU A 515 -1.869 -14.314 -17.369 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -3.324 -12.550 -16.640 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -3.051 -13.624 -15.282 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -1.718 -12.075 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 515 -1.181 -11.281 -15.599 1.00 0.00 H new ATOM 1490 N CYS A 516 -1.404 -11.636 -18.134 1.00 0.00 N ATOM 1491 CA CYS A 516 -0.808 -10.608 -18.968 1.00 0.00 C ATOM 1492 C CYS A 516 -0.660 -9.335 -18.131 1.00 0.00 C ATOM 1493 O CYS A 516 -1.527 -9.019 -17.319 1.00 0.00 O ATOM 1494 CB CYS A 516 -1.624 -10.364 -20.239 1.00 0.00 C ATOM 1495 SG CYS A 516 -0.631 -10.119 -21.755 1.00 0.00 S ATOM 0 H CYS A 516 -2.419 -11.579 -18.047 1.00 0.00 H new ATOM 0 HA CYS A 516 0.175 -10.936 -19.305 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -2.292 -11.211 -20.393 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -2.252 -9.486 -20.087 1.00 0.00 H new ATOM 0 HG CYS A 516 -1.424 -9.924 -22.766 1.00 0.00 H new ATOM 1500 N PRO A 517 0.473 -8.622 -18.365 1.00 0.00 N ATOM 1501 CA PRO A 517 0.746 -7.391 -17.642 1.00 0.00 C ATOM 1502 C PRO A 517 -0.126 -6.245 -18.163 1.00 0.00 C ATOM 1503 O PRO A 517 -1.132 -6.480 -18.830 1.00 0.00 O ATOM 1504 CB PRO A 517 2.232 -7.142 -17.834 1.00 0.00 C ATOM 1505 CG PRO A 517 2.644 -7.979 -19.034 1.00 0.00 C ATOM 1506 CD PRO A 517 1.523 -8.966 -19.321 1.00 0.00 C ATOM 0 HA PRO A 517 0.503 -7.463 -16.582 1.00 0.00 H new ATOM 0 HB2 PRO A 517 2.431 -6.085 -18.009 1.00 0.00 H new ATOM 0 HB3 PRO A 517 2.794 -7.430 -16.946 1.00 0.00 H new ATOM 0 HG2 PRO A 517 2.823 -7.342 -19.900 1.00 0.00 H new ATOM 0 HG3 PRO A 517 3.575 -8.508 -18.829 1.00 0.00 H new ATOM 0 HD2 PRO A 517 1.169 -8.876 -20.348 1.00 0.00 H new ATOM 0 HD3 PRO A 517 1.858 -9.995 -19.189 1.00 0.00 H new