USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=21 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 508 LYS NZ :NH3+ -149:sc= -0.0218 (180deg=-1.26) USER MOD Set 1.2: A 513 GLN : amide:sc= -1.38 K(o=-1.4,f=-8!) USER MOD Set 2.1: A 501 HIS :FLIP no HD1:sc= -2.03 F(o=-3.8!,f=-2.5) USER MOD Set 2.2: A 502 ASN : amide:sc= -0.45 K(o=-2.5,f=-4.9) USER MOD Set 3.1: A 470 GLN : amide:sc= -0.263 X(o=-0.29,f=-0.32) USER MOD Set 3.2: A 475 GLN : amide:sc= -0.0224 X(o=-0.29,f=-0.71) USER MOD Set 4.1: A 462 GLN :FLIP amide:sc= -1.74 F(o=-6.9,f=-5.9) USER MOD Set 4.2: A 463 ASN :FLIP amide:sc= -2.2! F(o=-6.8,f=-5.9!) USER MOD Set 4.3: A 486 HIS :FLIP no HD1:sc= -1.93! C(o=-5.9!,f=-5.9!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.6!) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -1.19 F(o=-2.9!,f=-1.2) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.95! C(o=-2.9!,f=-13!) USER MOD Single : A 432 THR OG1 : rot 155:sc= -6.83! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN :FLIP amide:sc= -0.426 F(o=-1.5,f=-0.43) USER MOD Single : A 442 GLN :FLIP amide:sc= -0.832! C(o=-1.6!,f=-0.83!) USER MOD Single : A 444 TYR OH : rot -3:sc= -7.05! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.157! USER MOD Single : A 454 ASN : amide:sc= -6.86! C(o=-6.9!,f=-22!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -3.25 F(o=-4.2!,f=-3.3) 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 490 ASN : amide:sc= -4.48! C(o=-4.5!,f=-4.9!) USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 510 ASN : amide:sc= -1.28 K(o=-1.3,f=-1.8) USER MOD Single : A 516 CYS SG : rot -51:sc= -1.3 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 2.194 34.496 6.348 1.00 0.00 N ATOM 19 CA ASP A 412 0.957 34.262 7.074 1.00 0.00 C ATOM 20 C ASP A 412 1.269 33.543 8.389 1.00 0.00 C ATOM 21 O ASP A 412 2.432 33.314 8.714 1.00 0.00 O ATOM 22 CB ASP A 412 0.005 33.377 6.267 1.00 0.00 C ATOM 23 CG ASP A 412 -1.473 33.506 6.645 1.00 0.00 C ATOM 24 OD1 ASP A 412 -2.007 34.618 6.764 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.089 32.386 6.825 1.00 0.00 O ATOM 0 HA ASP A 412 0.486 35.228 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 412 0.117 33.618 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 412 0.307 32.337 6.390 1.00 0.00 H new ATOM 31 N VAL A 413 0.209 33.209 9.109 1.00 0.00 N ATOM 32 CA VAL A 413 0.356 32.521 10.381 1.00 0.00 C ATOM 33 C VAL A 413 0.215 31.013 10.161 1.00 0.00 C ATOM 34 O VAL A 413 -0.366 30.579 9.167 1.00 0.00 O ATOM 35 CB VAL A 413 -0.650 33.073 11.393 1.00 0.00 C ATOM 36 CG1 VAL A 413 -1.950 32.266 11.372 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.050 33.109 12.800 1.00 0.00 C ATOM 0 H VAL A 413 -0.755 33.402 8.837 1.00 0.00 H new ATOM 0 HA VAL A 413 1.348 32.697 10.798 1.00 0.00 H new ATOM 0 HB VAL A 413 -0.887 34.097 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.647 32.680 12.101 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -2.393 32.316 10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.737 31.227 11.623 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.786 33.505 13.499 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.231 32.100 13.102 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.834 33.747 12.803 1.00 0.00 H new ATOM 47 N ASP A 414 0.758 30.256 11.103 1.00 0.00 N ATOM 48 CA ASP A 414 0.700 28.807 11.025 1.00 0.00 C ATOM 49 C ASP A 414 -0.579 28.314 11.704 1.00 0.00 C ATOM 50 O ASP A 414 -0.545 27.863 12.847 1.00 0.00 O ATOM 51 CB ASP A 414 1.892 28.169 11.741 1.00 0.00 C ATOM 52 CG ASP A 414 2.105 26.682 11.446 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.149 26.107 11.782 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.127 26.104 10.835 1.00 0.00 O ATOM 0 H ASP A 414 1.241 30.620 11.925 1.00 0.00 H new ATOM 0 HA ASP A 414 0.719 28.525 9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.796 28.712 11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.761 28.295 12.816 1.00 0.00 H new ATOM 60 N GLU A 415 -1.677 28.415 10.970 1.00 0.00 N ATOM 61 CA GLU A 415 -2.965 27.986 11.487 1.00 0.00 C ATOM 62 C GLU A 415 -2.875 26.550 12.006 1.00 0.00 C ATOM 63 O GLU A 415 -3.741 26.102 12.757 1.00 0.00 O ATOM 64 CB GLU A 415 -4.056 28.117 10.421 1.00 0.00 C ATOM 65 CG GLU A 415 -4.351 29.586 10.117 1.00 0.00 C ATOM 66 CD GLU A 415 -3.981 29.931 8.673 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.649 31.088 8.378 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.050 28.946 7.842 1.00 0.00 O ATOM 0 H GLU A 415 -1.701 28.788 10.021 1.00 0.00 H new ATOM 0 HA GLU A 415 -3.237 28.637 12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.741 27.609 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.965 27.623 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.408 29.791 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.791 30.223 10.802 1.00 0.00 H new ATOM 76 N CYS A 416 -1.820 25.866 11.586 1.00 0.00 N ATOM 77 CA CYS A 416 -1.607 24.490 12.000 1.00 0.00 C ATOM 78 C CYS A 416 -0.868 24.500 13.340 1.00 0.00 C ATOM 79 O CYS A 416 -0.950 23.541 14.105 1.00 0.00 O ATOM 80 CB CYS A 416 -0.848 23.691 10.938 1.00 0.00 C ATOM 81 SG CYS A 416 0.180 22.327 11.592 1.00 0.00 S ATOM 0 H CYS A 416 -1.104 26.240 10.963 1.00 0.00 H new ATOM 0 HA CYS A 416 -2.569 23.991 12.119 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -1.568 23.278 10.231 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -0.208 24.373 10.379 1.00 0.00 H new ATOM 86 N SER A 417 -0.166 25.597 13.583 1.00 0.00 N ATOM 87 CA SER A 417 0.586 25.743 14.818 1.00 0.00 C ATOM 88 C SER A 417 -0.369 26.011 15.984 1.00 0.00 C ATOM 89 O SER A 417 -0.070 25.670 17.127 1.00 0.00 O ATOM 90 CB SER A 417 1.615 26.871 14.706 1.00 0.00 C ATOM 91 OG SER A 417 2.454 26.945 15.855 1.00 0.00 O ATOM 0 H SER A 417 -0.102 26.392 12.947 1.00 0.00 H new ATOM 0 HA SER A 417 1.124 24.813 15.003 1.00 0.00 H new ATOM 0 HB2 SER A 417 2.229 26.715 13.819 1.00 0.00 H new ATOM 0 HB3 SER A 417 1.098 27.821 14.573 1.00 0.00 H new ATOM 0 HG SER A 417 3.097 27.676 15.744 1.00 0.00 H new ATOM 97 N LEU A 418 -1.499 26.620 15.654 1.00 0.00 N ATOM 98 CA LEU A 418 -2.499 26.937 16.659 1.00 0.00 C ATOM 99 C LEU A 418 -2.852 25.669 17.438 1.00 0.00 C ATOM 100 O LEU A 418 -2.391 25.479 18.563 1.00 0.00 O ATOM 101 CB LEU A 418 -3.707 27.619 16.014 1.00 0.00 C ATOM 102 CG LEU A 418 -3.413 28.493 14.793 1.00 0.00 C ATOM 103 CD1 LEU A 418 -4.617 29.368 14.442 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.145 29.322 15.006 1.00 0.00 C ATOM 0 H LEU A 418 -1.744 26.902 14.705 1.00 0.00 H new ATOM 0 HA LEU A 418 -2.103 27.654 17.379 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -4.420 26.849 15.721 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -4.196 28.236 16.768 1.00 0.00 H new ATOM 0 HG LEU A 418 -3.231 27.839 13.940 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -4.381 29.979 13.571 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -5.475 28.734 14.219 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -4.854 30.016 15.286 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.958 29.934 14.124 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -2.274 29.967 15.875 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.298 28.656 15.171 1.00 0.00 H new ATOM 116 N GLY A 419 -3.666 24.834 16.810 1.00 0.00 N ATOM 117 CA GLY A 419 -4.086 23.589 17.431 1.00 0.00 C ATOM 118 C GLY A 419 -4.860 22.717 16.442 1.00 0.00 C ATOM 119 O GLY A 419 -5.694 21.906 16.843 1.00 0.00 O ATOM 0 H GLY A 419 -4.046 24.995 15.877 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -3.213 23.047 17.793 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -4.711 23.804 18.298 1.00 0.00 H new ATOM 123 N ALA A 420 -4.558 22.911 15.167 1.00 0.00 N ATOM 124 CA ALA A 420 -5.216 22.153 14.117 1.00 0.00 C ATOM 125 C ALA A 420 -4.157 21.491 13.232 1.00 0.00 C ATOM 126 O ALA A 420 -3.717 22.074 12.242 1.00 0.00 O ATOM 127 CB ALA A 420 -6.143 23.076 13.324 1.00 0.00 C ATOM 0 H ALA A 420 -3.865 23.583 14.837 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.832 21.361 14.544 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.636 22.507 12.536 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.894 23.498 13.992 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -5.560 23.882 12.878 1.00 0.00 H new ATOM 133 N ASN A 421 -3.779 20.282 13.622 1.00 0.00 N ATOM 134 CA ASN A 421 -2.781 19.535 12.876 1.00 0.00 C ATOM 135 C ASN A 421 -3.427 18.283 12.279 1.00 0.00 C ATOM 136 O ASN A 421 -3.692 17.317 12.993 1.00 0.00 O ATOM 137 CB ASN A 421 -1.634 19.087 13.786 1.00 0.00 C ATOM 138 CG ASN A 421 -0.311 19.043 13.020 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.471 19.980 13.025 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.104 17.906 12.362 1.00 0.00 N ATOM 0 H ASN A 421 -4.146 19.802 14.444 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.389 20.185 12.094 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.547 19.771 14.630 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.854 18.101 14.196 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.750 17.779 11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.800 17.161 12.400 1.00 0.00 H new ATOM 147 N PRO A 422 -3.665 18.342 10.942 1.00 0.00 N ATOM 148 CA PRO A 422 -4.276 17.224 10.241 1.00 0.00 C ATOM 149 C PRO A 422 -3.272 16.085 10.046 1.00 0.00 C ATOM 150 O PRO A 422 -3.627 14.913 10.166 1.00 0.00 O ATOM 151 CB PRO A 422 -4.773 17.807 8.929 1.00 0.00 C ATOM 152 CG PRO A 422 -4.020 19.113 8.740 1.00 0.00 C ATOM 153 CD PRO A 422 -3.364 19.469 10.064 1.00 0.00 C ATOM 0 HA PRO A 422 -5.098 16.776 10.799 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.583 17.124 8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.849 17.978 8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.269 19.010 7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.701 19.904 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.289 19.605 9.949 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.762 20.401 10.465 1.00 0.00 H new ATOM 161 N CYS A 423 -2.041 16.470 9.751 1.00 0.00 N ATOM 162 CA CYS A 423 -0.983 15.495 9.540 1.00 0.00 C ATOM 163 C CYS A 423 -0.997 14.509 10.708 1.00 0.00 C ATOM 164 O CYS A 423 -0.466 13.405 10.600 1.00 0.00 O ATOM 165 CB CYS A 423 0.382 16.168 9.377 1.00 0.00 C ATOM 166 SG CYS A 423 0.691 16.886 7.722 1.00 0.00 S ATOM 0 H CYS A 423 -1.751 17.443 9.653 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.163 14.956 8.610 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.474 16.958 10.123 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.160 15.436 9.591 1.00 0.00 H new ATOM 171 N GLU A 424 -1.609 14.944 11.800 1.00 0.00 N ATOM 172 CA GLU A 424 -1.700 14.113 12.989 1.00 0.00 C ATOM 173 C GLU A 424 -0.317 13.933 13.618 1.00 0.00 C ATOM 174 O GLU A 424 0.235 14.873 14.189 1.00 0.00 O ATOM 175 CB GLU A 424 -2.333 12.758 12.663 1.00 0.00 C ATOM 176 CG GLU A 424 -3.838 12.902 12.421 1.00 0.00 C ATOM 177 CD GLU A 424 -4.634 12.480 13.657 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.143 11.687 14.472 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.807 13.009 13.755 1.00 0.00 O ATOM 0 H GLU A 424 -2.047 15.861 11.886 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.344 14.615 13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.857 12.333 11.779 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.158 12.063 13.484 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.072 13.936 12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -4.133 12.291 11.568 1.00 0.00 H new ATOM 187 N HIS A 425 0.204 12.721 13.491 1.00 0.00 N ATOM 188 CA HIS A 425 1.511 12.407 14.039 1.00 0.00 C ATOM 189 C HIS A 425 2.415 11.861 12.932 1.00 0.00 C ATOM 190 O HIS A 425 3.491 11.332 13.209 1.00 0.00 O ATOM 191 CB HIS A 425 1.387 11.453 15.229 1.00 0.00 C ATOM 192 CG HIS A 425 0.181 10.548 15.167 1.00 0.00 C ATOM 193 ND1 HIS A 425 -1.151 10.829 15.254 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 0.279 9.178 14.996 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -1.828 9.694 15.141 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 -0.944 8.669 14.982 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.257 11.945 13.016 1.00 0.00 H new ATOM 0 HA HIS A 425 1.975 13.315 14.423 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.286 10.840 15.285 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.343 12.038 16.148 1.00 0.00 H new ATOM 0 HD2 HIS A 425 1.197 8.619 14.892 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -2.903 9.598 15.170 1.00 0.00 H new ATOM 0 HE2 HIS A 425 -1.182 7.683 14.872 1.00 0.00 H new ATOM 204 N ALA A 426 1.944 12.008 11.704 1.00 0.00 N ATOM 205 CA ALA A 426 2.696 11.535 10.552 1.00 0.00 C ATOM 206 C ALA A 426 2.381 12.418 9.345 1.00 0.00 C ATOM 207 O ALA A 426 1.429 12.155 8.611 1.00 0.00 O ATOM 208 CB ALA A 426 2.369 10.061 10.300 1.00 0.00 C ATOM 0 H ALA A 426 1.051 12.448 11.480 1.00 0.00 H new ATOM 0 HA ALA A 426 3.768 11.604 10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 426 2.932 9.706 9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.640 9.473 11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.302 9.953 10.106 1.00 0.00 H new ATOM 214 N GLY A 427 3.198 13.446 9.174 1.00 0.00 N ATOM 215 CA GLY A 427 3.019 14.370 8.067 1.00 0.00 C ATOM 216 C GLY A 427 3.841 15.643 8.275 1.00 0.00 C ATOM 217 O GLY A 427 4.503 15.798 9.300 1.00 0.00 O ATOM 0 H GLY A 427 3.987 13.660 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.317 13.889 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 427 1.964 14.626 7.970 1.00 0.00 H new ATOM 221 N LYS A 428 3.774 16.520 7.285 1.00 0.00 N ATOM 222 CA LYS A 428 4.504 17.774 7.346 1.00 0.00 C ATOM 223 C LYS A 428 3.514 18.939 7.326 1.00 0.00 C ATOM 224 O LYS A 428 2.858 19.185 6.314 1.00 0.00 O ATOM 225 CB LYS A 428 5.552 17.841 6.234 1.00 0.00 C ATOM 226 CG LYS A 428 6.825 18.536 6.718 1.00 0.00 C ATOM 227 CD LYS A 428 6.634 20.052 6.774 1.00 0.00 C ATOM 228 CE LYS A 428 7.805 20.779 6.109 1.00 0.00 C ATOM 229 NZ LYS A 428 8.916 20.959 7.068 1.00 0.00 N ATOM 0 H LYS A 428 3.225 16.387 6.436 1.00 0.00 H new ATOM 0 HA LYS A 428 5.060 17.843 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.791 16.833 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.144 18.378 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.094 18.163 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.652 18.294 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 428 5.703 20.323 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 428 6.545 20.372 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.151 20.210 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.475 21.750 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 9.702 21.454 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 8.587 21.521 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.242 20.029 7.401 1.00 0.00 H new ATOM 242 N CYS A 429 3.433 19.626 8.456 1.00 0.00 N ATOM 243 CA CYS A 429 2.532 20.760 8.582 1.00 0.00 C ATOM 244 C CYS A 429 3.324 22.037 8.298 1.00 0.00 C ATOM 245 O CYS A 429 4.241 22.381 9.042 1.00 0.00 O ATOM 246 CB CYS A 429 1.860 20.798 9.955 1.00 0.00 C ATOM 247 SG CYS A 429 2.027 22.388 10.847 1.00 0.00 S ATOM 0 H CYS A 429 3.977 19.419 9.294 1.00 0.00 H new ATOM 0 HA CYS A 429 1.723 20.667 7.857 1.00 0.00 H new ATOM 0 HB2 CYS A 429 0.800 20.576 9.831 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.282 20.005 10.573 1.00 0.00 H new ATOM 252 N ILE A 430 2.943 22.706 7.219 1.00 0.00 N ATOM 253 CA ILE A 430 3.606 23.938 6.828 1.00 0.00 C ATOM 254 C ILE A 430 2.602 25.090 6.883 1.00 0.00 C ATOM 255 O ILE A 430 1.401 24.868 7.023 1.00 0.00 O ATOM 256 CB ILE A 430 4.281 23.773 5.464 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.154 22.333 4.961 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.737 24.238 5.515 1.00 0.00 C ATOM 259 CD1 ILE A 430 5.227 22.023 3.914 1.00 0.00 C ATOM 0 H ILE A 430 2.183 22.417 6.603 1.00 0.00 H new ATOM 0 HA ILE A 430 4.407 24.179 7.527 1.00 0.00 H new ATOM 0 HB ILE A 430 3.765 24.410 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 430 4.247 21.642 5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 430 3.165 22.180 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.194 24.111 4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.773 25.290 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.283 23.645 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 430 5.115 20.994 3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.116 22.701 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 430 6.215 22.154 4.356 1.00 0.00 H new ATOM 271 N ASN A 431 3.132 26.300 6.769 1.00 0.00 N ATOM 272 CA ASN A 431 2.298 27.489 6.804 1.00 0.00 C ATOM 273 C ASN A 431 2.162 28.052 5.387 1.00 0.00 C ATOM 274 O ASN A 431 3.148 28.165 4.663 1.00 0.00 O ATOM 275 CB ASN A 431 2.922 28.574 7.685 1.00 0.00 C ATOM 276 CG ASN A 431 2.306 29.943 7.387 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.220 30.059 6.845 1.00 0.00 O ATOM 278 ND2 ASN A 431 3.060 30.969 7.771 1.00 0.00 N ATOM 0 H ASN A 431 4.129 26.482 6.652 1.00 0.00 H new ATOM 0 HA ASN A 431 1.327 27.208 7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.773 28.325 8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.998 28.611 7.516 1.00 0.00 H new ATOM 0 HD21 ASN A 431 2.738 31.924 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.960 30.800 8.220 1.00 0.00 H new ATOM 285 N THR A 432 0.929 28.391 5.037 1.00 0.00 N ATOM 286 CA THR A 432 0.652 28.939 3.720 1.00 0.00 C ATOM 287 C THR A 432 -0.040 30.298 3.843 1.00 0.00 C ATOM 288 O THR A 432 -0.419 30.708 4.940 1.00 0.00 O ATOM 289 CB THR A 432 -0.171 27.908 2.942 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.640 27.012 3.945 1.00 0.00 O ATOM 291 CG2 THR A 432 0.698 27.033 2.037 1.00 0.00 C ATOM 0 H THR A 432 0.113 28.297 5.641 1.00 0.00 H new ATOM 0 HA THR A 432 1.573 29.126 3.168 1.00 0.00 H new ATOM 0 HB THR A 432 -0.923 28.419 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 432 -1.463 26.578 3.637 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.068 26.319 1.507 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.220 27.662 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.427 26.494 2.643 1.00 0.00 H new ATOM 299 N LEU A 433 -0.185 30.959 2.704 1.00 0.00 N ATOM 300 CA LEU A 433 -0.824 32.264 2.672 1.00 0.00 C ATOM 301 C LEU A 433 -2.340 32.086 2.776 1.00 0.00 C ATOM 302 O LEU A 433 -2.947 31.403 1.953 1.00 0.00 O ATOM 303 CB LEU A 433 -0.381 33.046 1.433 1.00 0.00 C ATOM 304 CG LEU A 433 0.724 34.082 1.656 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.331 34.531 0.325 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.209 35.265 2.480 1.00 0.00 C ATOM 0 H LEU A 433 0.129 30.615 1.796 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.513 32.863 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.039 32.335 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.251 33.555 1.018 1.00 0.00 H new ATOM 0 HG LEU A 433 1.522 33.612 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 433 2.113 35.267 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.758 33.670 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.555 34.977 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 433 1.014 35.986 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -0.617 35.743 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.137 34.909 3.450 1.00 0.00 H new ATOM 318 N GLY A 434 -2.908 32.714 3.795 1.00 0.00 N ATOM 319 CA GLY A 434 -4.342 32.634 4.018 1.00 0.00 C ATOM 320 C GLY A 434 -4.710 31.351 4.766 1.00 0.00 C ATOM 321 O GLY A 434 -5.497 31.383 5.709 1.00 0.00 O ATOM 0 H GLY A 434 -2.401 33.280 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -4.674 33.501 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.865 32.664 3.062 1.00 0.00 H new ATOM 325 N SER A 435 -4.122 30.252 4.314 1.00 0.00 N ATOM 326 CA SER A 435 -4.379 28.961 4.928 1.00 0.00 C ATOM 327 C SER A 435 -3.056 28.252 5.229 1.00 0.00 C ATOM 328 O SER A 435 -1.991 28.724 4.833 1.00 0.00 O ATOM 329 CB SER A 435 -5.256 28.087 4.029 1.00 0.00 C ATOM 330 OG SER A 435 -6.388 28.798 3.537 1.00 0.00 O ATOM 0 H SER A 435 -3.469 30.230 3.531 1.00 0.00 H new ATOM 0 HA SER A 435 -4.916 29.128 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.664 27.721 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.591 27.213 4.588 1.00 0.00 H new ATOM 0 HG SER A 435 -6.922 28.207 2.966 1.00 0.00 H new ATOM 336 N PHE A 436 -3.167 27.130 5.925 1.00 0.00 N ATOM 337 CA PHE A 436 -1.994 26.352 6.284 1.00 0.00 C ATOM 338 C PHE A 436 -1.893 25.088 5.428 1.00 0.00 C ATOM 339 O PHE A 436 -2.897 24.421 5.178 1.00 0.00 O ATOM 340 CB PHE A 436 -2.153 25.950 7.750 1.00 0.00 C ATOM 341 CG PHE A 436 -3.320 24.996 8.011 1.00 0.00 C ATOM 342 CD1 PHE A 436 -4.584 25.484 8.124 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.093 23.661 8.129 1.00 0.00 C ATOM 344 CE1 PHE A 436 -5.668 24.599 8.365 1.00 0.00 C ATOM 345 CE2 PHE A 436 -4.177 22.775 8.370 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.441 23.262 8.484 1.00 0.00 C ATOM 0 H PHE A 436 -4.052 26.741 6.250 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.092 26.942 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.230 25.480 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.292 26.850 8.350 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -4.764 26.545 8.030 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -2.089 23.274 8.040 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -6.672 24.986 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -3.997 21.714 8.463 1.00 0.00 H new ATOM 0 HZ PHE A 436 -6.265 22.589 8.669 1.00 0.00 H new ATOM 356 N GLU A 437 -0.672 24.794 5.003 1.00 0.00 N ATOM 357 CA GLU A 437 -0.428 23.621 4.183 1.00 0.00 C ATOM 358 C GLU A 437 0.177 22.498 5.027 1.00 0.00 C ATOM 359 O GLU A 437 0.951 22.756 5.947 1.00 0.00 O ATOM 360 CB GLU A 437 0.477 23.961 2.996 1.00 0.00 C ATOM 361 CG GLU A 437 1.013 22.690 2.333 1.00 0.00 C ATOM 362 CD GLU A 437 1.259 22.913 0.839 1.00 0.00 C ATOM 363 OE1 GLU A 437 0.662 22.218 0.003 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.102 23.848 0.558 1.00 0.00 O ATOM 0 H GLU A 437 0.158 25.349 5.212 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.382 23.276 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.080 24.549 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.310 24.578 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.942 22.387 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.301 21.876 2.471 1.00 0.00 H new ATOM 372 N CYS A 438 -0.200 21.275 4.686 1.00 0.00 N ATOM 373 CA CYS A 438 0.294 20.110 5.402 1.00 0.00 C ATOM 374 C CYS A 438 0.504 18.980 4.393 1.00 0.00 C ATOM 375 O CYS A 438 -0.421 18.602 3.676 1.00 0.00 O ATOM 376 CB CYS A 438 -0.650 19.699 6.532 1.00 0.00 C ATOM 377 SG CYS A 438 0.088 18.586 7.782 1.00 0.00 S ATOM 0 H CYS A 438 -0.843 21.065 3.922 1.00 0.00 H new ATOM 0 HA CYS A 438 1.244 20.349 5.880 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -1.008 20.599 7.033 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.521 19.208 6.098 1.00 0.00 H new ATOM 382 N GLN A 439 1.727 18.471 4.371 1.00 0.00 N ATOM 383 CA GLN A 439 2.071 17.390 3.462 1.00 0.00 C ATOM 384 C GLN A 439 1.551 16.057 4.002 1.00 0.00 C ATOM 385 O GLN A 439 1.288 15.927 5.195 1.00 0.00 O ATOM 386 CB GLN A 439 3.581 17.334 3.223 1.00 0.00 C ATOM 387 CG GLN A 439 4.140 18.722 2.908 1.00 0.00 C ATOM 388 CD GLN A 439 5.478 18.622 2.172 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.490 19.203 2.810 1.00 0.00 O flip ATOM 390 NE2 GLN A 439 5.584 18.055 1.097 1.00 0.00 N flip ATOM 0 H GLN A 439 2.492 18.787 4.968 1.00 0.00 H new ATOM 0 HA GLN A 439 1.592 17.582 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.077 16.930 4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.797 16.656 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.426 19.275 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.271 19.283 3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 439 4.765 17.630 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 439 6.491 18.006 0.633 1.00 0.00 H new ATOM 399 N CYS A 440 1.418 15.099 3.095 1.00 0.00 N ATOM 400 CA CYS A 440 0.933 13.781 3.466 1.00 0.00 C ATOM 401 C CYS A 440 2.143 12.885 3.747 1.00 0.00 C ATOM 402 O CYS A 440 3.247 13.164 3.281 1.00 0.00 O ATOM 403 CB CYS A 440 0.023 13.189 2.387 1.00 0.00 C ATOM 404 SG CYS A 440 0.114 14.026 0.762 1.00 0.00 S ATOM 0 H CYS A 440 1.638 15.210 2.105 1.00 0.00 H new ATOM 0 HA CYS A 440 0.321 13.856 4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.278 12.138 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -1.007 13.224 2.741 1.00 0.00 H new ATOM 409 N LEU A 441 1.894 11.830 4.507 1.00 0.00 N ATOM 410 CA LEU A 441 2.948 10.893 4.855 1.00 0.00 C ATOM 411 C LEU A 441 2.730 9.582 4.097 1.00 0.00 C ATOM 412 O LEU A 441 1.776 8.856 4.368 1.00 0.00 O ATOM 413 CB LEU A 441 3.031 10.719 6.372 1.00 0.00 C ATOM 414 CG LEU A 441 4.428 10.474 6.944 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.000 9.146 6.445 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.359 11.649 6.641 1.00 0.00 C ATOM 0 H LEU A 441 0.977 11.603 4.892 1.00 0.00 H new ATOM 0 HA LEU A 441 3.919 11.282 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.619 11.611 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.392 9.884 6.657 1.00 0.00 H new ATOM 0 HG LEU A 441 4.344 10.401 8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.994 8.997 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.348 8.330 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.066 9.164 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.346 11.449 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.442 11.779 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.954 12.558 7.086 1.00 0.00 H new ATOM 428 N GLN A 442 3.632 9.320 3.162 1.00 0.00 N ATOM 429 CA GLN A 442 3.551 8.109 2.363 1.00 0.00 C ATOM 430 C GLN A 442 2.182 8.009 1.687 1.00 0.00 C ATOM 431 O GLN A 442 1.923 8.693 0.697 1.00 0.00 O ATOM 432 CB GLN A 442 3.834 6.869 3.215 1.00 0.00 C ATOM 433 CG GLN A 442 5.311 6.797 3.604 1.00 0.00 C ATOM 434 CD GLN A 442 6.202 7.322 2.476 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.464 8.624 2.555 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.624 6.594 1.594 1.00 0.00 N flip ATOM 0 H GLN A 442 4.422 9.926 2.940 1.00 0.00 H new ATOM 0 HA GLN A 442 4.315 8.158 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.218 6.893 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.556 5.972 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.481 7.381 4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.580 5.766 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.384 5.603 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 442 7.217 6.976 0.857 1.00 0.00 H new ATOM 445 N GLY A 443 1.341 7.152 2.249 1.00 0.00 N ATOM 446 CA GLY A 443 0.005 6.956 1.714 1.00 0.00 C ATOM 447 C GLY A 443 -1.053 7.541 2.650 1.00 0.00 C ATOM 448 O GLY A 443 -1.811 6.802 3.277 1.00 0.00 O ATOM 0 H GLY A 443 1.560 6.586 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 443 -0.071 7.428 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.180 5.891 1.570 1.00 0.00 H new ATOM 452 N TYR A 444 -1.073 8.863 2.718 1.00 0.00 N ATOM 453 CA TYR A 444 -2.025 9.557 3.568 1.00 0.00 C ATOM 454 C TYR A 444 -3.204 10.089 2.750 1.00 0.00 C ATOM 455 O TYR A 444 -3.093 10.268 1.539 1.00 0.00 O ATOM 456 CB TYR A 444 -1.267 10.739 4.175 1.00 0.00 C ATOM 457 CG TYR A 444 -0.960 10.581 5.667 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.349 9.432 6.126 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.293 11.588 6.549 1.00 0.00 C ATOM 460 CE1 TYR A 444 -0.061 9.284 7.530 1.00 0.00 C ATOM 461 CE2 TYR A 444 -1.005 11.439 7.952 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.402 10.295 8.373 1.00 0.00 C ATOM 463 OH TYR A 444 -0.129 10.156 9.698 1.00 0.00 O ATOM 0 H TYR A 444 -0.444 9.474 2.197 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.424 8.883 4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.330 10.873 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.853 11.647 4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 444 -0.087 8.645 5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.769 12.487 6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.415 8.390 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.262 12.218 8.654 1.00 0.00 H new ATOM 0 HH TYR A 444 0.257 9.270 9.861 1.00 0.00 H new ATOM 473 N THR A 445 -4.307 10.326 3.447 1.00 0.00 N ATOM 474 CA THR A 445 -5.505 10.834 2.801 1.00 0.00 C ATOM 475 C THR A 445 -5.671 12.329 3.082 1.00 0.00 C ATOM 476 O THR A 445 -4.770 13.119 2.804 1.00 0.00 O ATOM 477 CB THR A 445 -6.690 9.992 3.274 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.831 10.676 2.761 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.876 10.043 4.791 1.00 0.00 C ATOM 0 H THR A 445 -4.395 10.175 4.452 1.00 0.00 H new ATOM 0 HA THR A 445 -5.437 10.746 1.717 1.00 0.00 H new ATOM 0 HB THR A 445 -6.547 8.958 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.645 10.195 3.021 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.731 9.428 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.979 9.664 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 445 -7.051 11.073 5.102 1.00 0.00 H new ATOM 487 N GLY A 446 -6.826 12.670 3.632 1.00 0.00 N ATOM 488 CA GLY A 446 -7.121 14.056 3.954 1.00 0.00 C ATOM 489 C GLY A 446 -7.565 14.827 2.708 1.00 0.00 C ATOM 490 O GLY A 446 -7.258 14.428 1.586 1.00 0.00 O ATOM 0 H GLY A 446 -7.569 12.011 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.905 14.098 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.238 14.529 4.383 1.00 0.00 H new ATOM 494 N PRO A 447 -8.297 15.945 2.955 1.00 0.00 N ATOM 495 CA PRO A 447 -8.785 16.776 1.867 1.00 0.00 C ATOM 496 C PRO A 447 -7.653 17.609 1.262 1.00 0.00 C ATOM 497 O PRO A 447 -7.697 17.962 0.085 1.00 0.00 O ATOM 498 CB PRO A 447 -9.883 17.626 2.484 1.00 0.00 C ATOM 499 CG PRO A 447 -9.657 17.575 3.986 1.00 0.00 C ATOM 500 CD PRO A 447 -8.678 16.448 4.271 1.00 0.00 C ATOM 0 HA PRO A 447 -9.173 16.191 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.836 18.651 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.868 17.239 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.261 18.525 4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.598 17.404 4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.810 16.808 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -9.139 15.667 4.875 1.00 0.00 H new ATOM 508 N ARG A 448 -6.664 17.897 2.096 1.00 0.00 N ATOM 509 CA ARG A 448 -5.522 18.683 1.659 1.00 0.00 C ATOM 510 C ARG A 448 -4.286 17.791 1.521 1.00 0.00 C ATOM 511 O ARG A 448 -3.261 18.220 0.992 1.00 0.00 O ATOM 512 CB ARG A 448 -5.221 19.813 2.644 1.00 0.00 C ATOM 513 CG ARG A 448 -6.508 20.493 3.109 1.00 0.00 C ATOM 514 CD ARG A 448 -7.035 21.457 2.044 1.00 0.00 C ATOM 515 NE ARG A 448 -7.702 22.610 2.689 1.00 0.00 N ATOM 516 CZ ARG A 448 -8.117 23.711 2.028 1.00 0.00 C ATOM 517 NH1 ARG A 448 -7.937 23.819 0.695 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.701 24.682 2.706 1.00 0.00 N ATOM 0 H ARG A 448 -6.630 17.600 3.071 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.770 19.118 0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.684 19.416 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.568 20.547 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -7.264 19.738 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.322 21.036 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -6.213 21.805 1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -7.737 20.940 1.389 1.00 0.00 H new ATOM 0 HE ARG A 448 -7.858 22.570 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -7.484 23.065 0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -8.254 24.655 0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -8.832 24.593 3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -9.021 25.521 2.222 1.00 0.00 H new ATOM 531 N CYS A 449 -4.423 16.566 2.008 1.00 0.00 N ATOM 532 CA CYS A 449 -3.330 15.611 1.947 1.00 0.00 C ATOM 533 C CYS A 449 -2.542 15.697 3.256 1.00 0.00 C ATOM 534 O CYS A 449 -1.339 15.954 3.243 1.00 0.00 O ATOM 535 CB CYS A 449 -2.438 15.847 0.726 1.00 0.00 C ATOM 536 SG CYS A 449 -1.666 14.339 0.035 1.00 0.00 S ATOM 0 H CYS A 449 -5.274 16.213 2.446 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.731 14.604 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -3.032 16.324 -0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.650 16.549 1.000 1.00 0.00 H new ATOM 541 N GLU A 450 -3.251 15.480 4.353 1.00 0.00 N ATOM 542 CA GLU A 450 -2.633 15.531 5.667 1.00 0.00 C ATOM 543 C GLU A 450 -3.336 14.564 6.622 1.00 0.00 C ATOM 544 O GLU A 450 -3.119 14.614 7.832 1.00 0.00 O ATOM 545 CB GLU A 450 -2.644 16.957 6.223 1.00 0.00 C ATOM 546 CG GLU A 450 -3.584 17.852 5.415 1.00 0.00 C ATOM 547 CD GLU A 450 -5.044 17.595 5.792 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.392 16.475 6.197 1.00 0.00 O ATOM 549 OE2 GLU A 450 -5.830 18.608 5.650 1.00 0.00 O ATOM 0 H GLU A 450 -4.249 15.268 4.359 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.592 15.222 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.958 16.942 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.635 17.368 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -3.338 18.899 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -3.442 17.668 4.350 1.00 0.00 H new ATOM 557 N ILE A 451 -4.166 13.709 6.042 1.00 0.00 N ATOM 558 CA ILE A 451 -4.902 12.733 6.828 1.00 0.00 C ATOM 559 C ILE A 451 -4.361 11.333 6.530 1.00 0.00 C ATOM 560 O ILE A 451 -3.909 11.060 5.420 1.00 0.00 O ATOM 561 CB ILE A 451 -6.407 12.875 6.585 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.894 14.272 6.975 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.184 11.773 7.308 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.159 14.783 8.215 1.00 0.00 C ATOM 0 H ILE A 451 -4.345 13.672 5.039 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.756 12.912 7.893 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.596 12.755 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -6.736 14.961 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -7.966 14.246 7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.250 11.896 7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.861 10.799 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.995 11.838 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.524 15.778 8.470 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -6.339 14.105 9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.089 14.831 8.010 1.00 0.00 H new ATOM 576 N ASP A 452 -4.426 10.482 7.543 1.00 0.00 N ATOM 577 CA ASP A 452 -3.948 9.116 7.405 1.00 0.00 C ATOM 578 C ASP A 452 -5.141 8.181 7.207 1.00 0.00 C ATOM 579 O ASP A 452 -6.021 8.101 8.064 1.00 0.00 O ATOM 580 CB ASP A 452 -3.196 8.665 8.659 1.00 0.00 C ATOM 581 CG ASP A 452 -3.568 7.272 9.171 1.00 0.00 C ATOM 582 OD1 ASP A 452 -4.203 7.129 10.227 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.174 6.295 8.428 1.00 0.00 O ATOM 0 H ASP A 452 -4.802 10.711 8.463 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.274 9.080 6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.126 8.685 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.379 9.388 9.454 1.00 0.00 H new ATOM 589 N VAL A 453 -5.135 7.494 6.074 1.00 0.00 N ATOM 590 CA VAL A 453 -6.206 6.567 5.753 1.00 0.00 C ATOM 591 C VAL A 453 -5.756 5.142 6.081 1.00 0.00 C ATOM 592 O VAL A 453 -4.566 4.889 6.264 1.00 0.00 O ATOM 593 CB VAL A 453 -6.628 6.740 4.293 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.410 6.940 3.390 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.471 5.553 3.822 1.00 0.00 C ATOM 0 H VAL A 453 -4.404 7.561 5.366 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.088 6.777 6.359 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.245 7.636 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.738 7.060 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.866 7.831 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.756 6.071 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.758 5.701 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.889 4.635 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.367 5.476 4.438 1.00 0.00 H new ATOM 605 N ASN A 454 -6.732 4.247 6.145 1.00 0.00 N ATOM 606 CA ASN A 454 -6.451 2.854 6.447 1.00 0.00 C ATOM 607 C ASN A 454 -6.478 2.041 5.152 1.00 0.00 C ATOM 608 O ASN A 454 -7.528 1.543 4.747 1.00 0.00 O ATOM 609 CB ASN A 454 -7.503 2.272 7.392 1.00 0.00 C ATOM 610 CG ASN A 454 -7.179 0.820 7.747 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.331 0.181 7.146 1.00 0.00 O ATOM 612 ND2 ASN A 454 -7.899 0.336 8.756 1.00 0.00 N ATOM 0 H ASN A 454 -7.718 4.460 5.993 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.472 2.803 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.550 2.870 8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.486 2.325 6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -7.757 -0.624 9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.593 0.925 9.216 1.00 0.00 H new ATOM 619 N GLU A 455 -5.310 1.930 4.535 1.00 0.00 N ATOM 620 CA GLU A 455 -5.187 1.185 3.293 1.00 0.00 C ATOM 621 C GLU A 455 -5.566 -0.281 3.514 1.00 0.00 C ATOM 622 O GLU A 455 -5.764 -1.026 2.554 1.00 0.00 O ATOM 623 CB GLU A 455 -3.775 1.305 2.719 1.00 0.00 C ATOM 624 CG GLU A 455 -2.723 1.213 3.827 1.00 0.00 C ATOM 625 CD GLU A 455 -2.276 2.607 4.275 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.145 2.770 4.756 1.00 0.00 O ATOM 627 OE2 GLU A 455 -3.150 3.540 4.107 1.00 0.00 O ATOM 0 H GLU A 455 -4.441 2.344 4.872 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.877 1.613 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.608 0.515 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.672 2.254 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.132 0.667 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -1.862 0.648 3.470 1.00 0.00 H new ATOM 635 N CYS A 456 -5.656 -0.651 4.783 1.00 0.00 N ATOM 636 CA CYS A 456 -6.008 -2.015 5.141 1.00 0.00 C ATOM 637 C CYS A 456 -7.512 -2.195 4.927 1.00 0.00 C ATOM 638 O CYS A 456 -8.045 -3.285 5.126 1.00 0.00 O ATOM 639 CB CYS A 456 -5.592 -2.348 6.574 1.00 0.00 C ATOM 640 SG CYS A 456 -6.982 -2.628 7.732 1.00 0.00 S ATOM 0 H CYS A 456 -5.491 -0.031 5.576 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.465 -2.713 4.503 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -4.966 -3.240 6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -4.977 -1.534 6.957 1.00 0.00 H new ATOM 645 N VAL A 457 -8.154 -1.109 4.524 1.00 0.00 N ATOM 646 CA VAL A 457 -9.587 -1.133 4.281 1.00 0.00 C ATOM 647 C VAL A 457 -9.851 -1.669 2.872 1.00 0.00 C ATOM 648 O VAL A 457 -10.917 -2.221 2.605 1.00 0.00 O ATOM 649 CB VAL A 457 -10.180 0.258 4.513 1.00 0.00 C ATOM 650 CG1 VAL A 457 -9.858 0.765 5.919 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.696 1.246 3.450 1.00 0.00 C ATOM 0 H VAL A 457 -7.709 -0.206 4.359 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.083 -1.804 4.982 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.264 0.177 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.291 1.756 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.276 0.080 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -8.777 0.821 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.133 2.227 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.609 1.319 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.001 0.897 2.463 1.00 0.00 H new ATOM 661 N SER A 458 -8.863 -1.487 2.008 1.00 0.00 N ATOM 662 CA SER A 458 -8.976 -1.946 0.635 1.00 0.00 C ATOM 663 C SER A 458 -7.953 -3.051 0.367 1.00 0.00 C ATOM 664 O SER A 458 -7.940 -3.640 -0.713 1.00 0.00 O ATOM 665 CB SER A 458 -8.778 -0.791 -0.350 1.00 0.00 C ATOM 666 OG SER A 458 -9.557 -0.957 -1.531 1.00 0.00 O ATOM 0 H SER A 458 -7.980 -1.028 2.233 1.00 0.00 H new ATOM 0 HA SER A 458 -9.980 -2.345 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 458 -9.048 0.148 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 458 -7.724 -0.720 -0.618 1.00 0.00 H new ATOM 0 HG SER A 458 -9.404 -0.199 -2.133 1.00 0.00 H new ATOM 672 N ASN A 459 -7.122 -3.300 1.367 1.00 0.00 N ATOM 673 CA ASN A 459 -6.097 -4.324 1.253 1.00 0.00 C ATOM 674 C ASN A 459 -5.829 -4.928 2.634 1.00 0.00 C ATOM 675 O ASN A 459 -4.704 -4.884 3.126 1.00 0.00 O ATOM 676 CB ASN A 459 -4.785 -3.735 0.732 1.00 0.00 C ATOM 677 CG ASN A 459 -5.047 -2.656 -0.320 1.00 0.00 C ATOM 678 OD1 ASN A 459 -5.598 -1.549 0.166 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -4.768 -2.819 -1.496 1.00 0.00 N flip ATOM 0 H ASN A 459 -7.137 -2.810 2.261 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.454 -5.082 0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.219 -3.310 1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.173 -4.527 0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -4.346 -3.695 -1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -4.957 -2.079 -2.172 1.00 0.00 H new ATOM 686 N PRO A 460 -6.912 -5.491 3.233 1.00 0.00 N ATOM 687 CA PRO A 460 -6.805 -6.104 4.546 1.00 0.00 C ATOM 688 C PRO A 460 -6.100 -7.460 4.465 1.00 0.00 C ATOM 689 O PRO A 460 -5.847 -8.094 5.487 1.00 0.00 O ATOM 690 CB PRO A 460 -8.236 -6.207 5.051 1.00 0.00 C ATOM 691 CG PRO A 460 -9.121 -6.081 3.821 1.00 0.00 C ATOM 692 CD PRO A 460 -8.261 -5.562 2.680 1.00 0.00 C ATOM 0 HA PRO A 460 -6.195 -5.518 5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.404 -7.157 5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.454 -5.419 5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.556 -7.047 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -9.950 -5.400 4.015 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.301 -6.229 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -8.602 -4.584 2.341 1.00 0.00 H new ATOM 700 N CYS A 461 -5.805 -7.863 3.237 1.00 0.00 N ATOM 701 CA CYS A 461 -5.136 -9.132 3.008 1.00 0.00 C ATOM 702 C CYS A 461 -6.142 -10.258 3.253 1.00 0.00 C ATOM 703 O CYS A 461 -5.756 -11.410 3.451 1.00 0.00 O ATOM 704 CB CYS A 461 -3.891 -9.281 3.884 1.00 0.00 C ATOM 705 SG CYS A 461 -2.300 -9.151 2.986 1.00 0.00 S ATOM 0 H CYS A 461 -6.017 -7.333 2.391 1.00 0.00 H new ATOM 0 HA CYS A 461 -4.784 -9.178 1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -3.917 -8.517 4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -3.931 -10.248 4.386 1.00 0.00 H new ATOM 710 N GLN A 462 -7.415 -9.887 3.230 1.00 0.00 N ATOM 711 CA GLN A 462 -8.480 -10.852 3.448 1.00 0.00 C ATOM 712 C GLN A 462 -8.703 -11.067 4.946 1.00 0.00 C ATOM 713 O GLN A 462 -8.140 -10.350 5.771 1.00 0.00 O ATOM 714 CB GLN A 462 -8.174 -12.173 2.742 1.00 0.00 C ATOM 715 CG GLN A 462 -9.386 -12.665 1.950 1.00 0.00 C ATOM 716 CD GLN A 462 -9.244 -14.148 1.595 1.00 0.00 C ATOM 717 OE1 GLN A 462 -8.184 -14.424 0.839 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -10.045 -14.984 1.980 1.00 0.00 N flip ATOM 0 H GLN A 462 -7.732 -8.932 3.064 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.399 -10.454 3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -7.325 -12.043 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -7.886 -12.924 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.293 -12.513 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -9.492 -12.078 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -10.837 -14.703 2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -9.923 -15.964 1.724 1.00 0.00 H new ATOM 727 N ASN A 463 -9.527 -12.060 5.252 1.00 0.00 N ATOM 728 CA ASN A 463 -9.831 -12.379 6.636 1.00 0.00 C ATOM 729 C ASN A 463 -8.661 -13.155 7.246 1.00 0.00 C ATOM 730 O ASN A 463 -8.317 -12.955 8.410 1.00 0.00 O ATOM 731 CB ASN A 463 -11.082 -13.253 6.737 1.00 0.00 C ATOM 732 CG ASN A 463 -10.985 -14.460 5.800 1.00 0.00 C ATOM 733 OD1 ASN A 463 -11.664 -14.318 4.665 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -10.336 -15.451 6.089 1.00 0.00 N flip ATOM 0 H ASN A 463 -9.993 -12.653 4.565 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.001 -11.443 7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -11.209 -13.595 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.963 -12.663 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -9.838 -15.493 6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -10.291 -16.238 5.441 1.00 0.00 H new ATOM 741 N ASP A 464 -8.082 -14.025 6.431 1.00 0.00 N ATOM 742 CA ASP A 464 -6.958 -14.832 6.875 1.00 0.00 C ATOM 743 C ASP A 464 -5.694 -13.970 6.897 1.00 0.00 C ATOM 744 O ASP A 464 -4.706 -14.293 6.240 1.00 0.00 O ATOM 745 CB ASP A 464 -6.713 -16.006 5.924 1.00 0.00 C ATOM 746 CG ASP A 464 -6.278 -17.307 6.602 1.00 0.00 C ATOM 747 OD1 ASP A 464 -7.114 -18.136 6.990 1.00 0.00 O ATOM 748 OD2 ASP A 464 -5.003 -17.454 6.731 1.00 0.00 O ATOM 0 H ASP A 464 -8.370 -14.189 5.466 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.190 -15.215 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -7.627 -16.195 5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -5.949 -15.717 5.203 1.00 0.00 H new ATOM 754 N ALA A 465 -5.766 -12.890 7.661 1.00 0.00 N ATOM 755 CA ALA A 465 -4.640 -11.979 7.777 1.00 0.00 C ATOM 756 C ALA A 465 -5.010 -10.835 8.724 1.00 0.00 C ATOM 757 O ALA A 465 -6.049 -10.198 8.555 1.00 0.00 O ATOM 758 CB ALA A 465 -4.241 -11.480 6.387 1.00 0.00 C ATOM 0 H ALA A 465 -6.587 -12.625 8.206 1.00 0.00 H new ATOM 0 HA ALA A 465 -3.775 -12.490 8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.396 -10.797 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.959 -12.328 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.083 -10.959 5.932 1.00 0.00 H new ATOM 764 N THR A 466 -4.141 -10.609 9.697 1.00 0.00 N ATOM 765 CA THR A 466 -4.364 -9.553 10.669 1.00 0.00 C ATOM 766 C THR A 466 -3.967 -8.196 10.083 1.00 0.00 C ATOM 767 O THR A 466 -2.786 -7.930 9.868 1.00 0.00 O ATOM 768 CB THR A 466 -3.596 -9.913 11.942 1.00 0.00 C ATOM 769 OG1 THR A 466 -4.254 -11.080 12.427 1.00 0.00 O ATOM 770 CG2 THR A 466 -3.794 -8.883 13.057 1.00 0.00 C ATOM 0 H THR A 466 -3.280 -11.139 9.833 1.00 0.00 H new ATOM 0 HA THR A 466 -5.420 -9.466 10.923 1.00 0.00 H new ATOM 0 HB THR A 466 -2.534 -10.000 11.712 1.00 0.00 H new ATOM 0 HG1 THR A 466 -3.818 -11.383 13.251 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.228 -9.186 13.937 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.443 -7.908 12.718 1.00 0.00 H new ATOM 0 HG23 THR A 466 -4.852 -8.820 13.310 1.00 0.00 H new ATOM 778 N CYS A 467 -4.978 -7.374 9.841 1.00 0.00 N ATOM 779 CA CYS A 467 -4.749 -6.051 9.286 1.00 0.00 C ATOM 780 C CYS A 467 -4.092 -5.184 10.362 1.00 0.00 C ATOM 781 O CYS A 467 -4.562 -5.138 11.498 1.00 0.00 O ATOM 782 CB CYS A 467 -6.043 -5.427 8.761 1.00 0.00 C ATOM 783 SG CYS A 467 -6.293 -3.675 9.225 1.00 0.00 S ATOM 0 H CYS A 467 -5.957 -7.599 10.019 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.083 -6.125 8.426 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.053 -5.505 7.674 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -6.887 -6.010 9.130 1.00 0.00 H new ATOM 788 N LEU A 468 -3.018 -4.517 9.966 1.00 0.00 N ATOM 789 CA LEU A 468 -2.293 -3.654 10.882 1.00 0.00 C ATOM 790 C LEU A 468 -1.980 -2.327 10.188 1.00 0.00 C ATOM 791 O LEU A 468 -0.852 -2.100 9.754 1.00 0.00 O ATOM 792 CB LEU A 468 -1.055 -4.370 11.426 1.00 0.00 C ATOM 793 CG LEU A 468 -1.214 -5.042 12.792 1.00 0.00 C ATOM 794 CD1 LEU A 468 0.148 -5.414 13.382 1.00 0.00 C ATOM 795 CD2 LEU A 468 -2.031 -4.165 13.742 1.00 0.00 C ATOM 0 H LEU A 468 -2.632 -4.557 9.023 1.00 0.00 H new ATOM 0 HA LEU A 468 -2.907 -3.422 11.752 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.751 -5.128 10.704 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.241 -3.648 11.491 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.769 -5.970 12.654 1.00 0.00 H new ATOM 0 HD11 LEU A 468 0.006 -5.890 14.352 1.00 0.00 H new ATOM 0 HD12 LEU A 468 0.659 -6.104 12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 468 0.750 -4.514 13.504 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -2.129 -4.665 14.705 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.526 -3.209 13.880 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.021 -3.995 13.319 1.00 0.00 H new ATOM 807 N ASP A 469 -3.001 -1.485 10.102 1.00 0.00 N ATOM 808 CA ASP A 469 -2.849 -0.188 9.467 1.00 0.00 C ATOM 809 C ASP A 469 -1.877 0.664 10.285 1.00 0.00 C ATOM 810 O ASP A 469 -1.987 0.738 11.508 1.00 0.00 O ATOM 811 CB ASP A 469 -4.187 0.552 9.402 1.00 0.00 C ATOM 812 CG ASP A 469 -4.094 2.019 8.973 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.775 2.892 9.534 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.270 2.253 8.008 1.00 0.00 O ATOM 0 H ASP A 469 -3.936 -1.677 10.462 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.475 -0.348 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -4.842 0.027 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.659 0.505 10.383 1.00 0.00 H new ATOM 820 N GLN A 470 -0.947 1.288 9.576 1.00 0.00 N ATOM 821 CA GLN A 470 0.044 2.133 10.221 1.00 0.00 C ATOM 822 C GLN A 470 0.258 3.414 9.412 1.00 0.00 C ATOM 823 O GLN A 470 -0.476 3.680 8.462 1.00 0.00 O ATOM 824 CB GLN A 470 1.362 1.381 10.416 1.00 0.00 C ATOM 825 CG GLN A 470 1.576 0.351 9.306 1.00 0.00 C ATOM 826 CD GLN A 470 2.359 -0.858 9.820 1.00 0.00 C ATOM 827 OE1 GLN A 470 3.388 -1.237 9.286 1.00 0.00 O ATOM 828 NE2 GLN A 470 1.816 -1.441 10.886 1.00 0.00 N ATOM 0 H GLN A 470 -0.859 1.225 8.562 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.329 2.408 11.208 1.00 0.00 H new ATOM 0 HB2 GLN A 470 2.191 2.089 10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.360 0.881 11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 470 0.611 0.025 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 470 2.114 0.811 8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 470 0.952 -1.073 11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 470 2.264 -2.256 11.305 1.00 0.00 H new ATOM 837 N ILE A 471 1.265 4.172 9.819 1.00 0.00 N ATOM 838 CA ILE A 471 1.584 5.418 9.143 1.00 0.00 C ATOM 839 C ILE A 471 1.745 5.154 7.645 1.00 0.00 C ATOM 840 O ILE A 471 2.644 4.423 7.233 1.00 0.00 O ATOM 841 CB ILE A 471 2.805 6.079 9.786 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.778 5.028 10.324 1.00 0.00 C ATOM 843 CG2 ILE A 471 2.384 7.077 10.867 1.00 0.00 C ATOM 844 CD1 ILE A 471 4.088 3.972 9.261 1.00 0.00 C ATOM 0 H ILE A 471 1.871 3.948 10.608 1.00 0.00 H new ATOM 0 HA ILE A 471 0.768 6.132 9.255 1.00 0.00 H new ATOM 0 HB ILE A 471 3.333 6.642 9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.702 5.511 10.642 1.00 0.00 H new ATOM 0 HG13 ILE A 471 3.350 4.548 11.204 1.00 0.00 H new ATOM 0 HG21 ILE A 471 3.271 7.532 11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 471 1.761 7.853 10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.820 6.558 11.642 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.782 3.237 9.670 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.165 3.474 8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.538 4.452 8.392 1.00 0.00 H new ATOM 856 N GLY A 472 0.860 5.765 6.871 1.00 0.00 N ATOM 857 CA GLY A 472 0.893 5.605 5.427 1.00 0.00 C ATOM 858 C GLY A 472 1.455 4.236 5.039 1.00 0.00 C ATOM 859 O GLY A 472 2.211 4.122 4.075 1.00 0.00 O ATOM 0 H GLY A 472 0.116 6.371 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.113 5.717 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.504 6.392 4.984 1.00 0.00 H new ATOM 863 N GLU A 473 1.065 3.231 5.810 1.00 0.00 N ATOM 864 CA GLU A 473 1.521 1.875 5.559 1.00 0.00 C ATOM 865 C GLU A 473 0.622 0.871 6.284 1.00 0.00 C ATOM 866 O GLU A 473 -0.005 1.205 7.287 1.00 0.00 O ATOM 867 CB GLU A 473 2.983 1.703 5.975 1.00 0.00 C ATOM 868 CG GLU A 473 3.458 0.270 5.727 1.00 0.00 C ATOM 869 CD GLU A 473 4.971 0.226 5.496 1.00 0.00 C ATOM 870 OE1 GLU A 473 5.711 1.026 6.085 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.369 -0.682 4.669 1.00 0.00 O ATOM 0 H GLU A 473 0.438 3.329 6.609 1.00 0.00 H new ATOM 0 HA GLU A 473 1.458 1.683 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.608 2.399 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.096 1.950 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.198 -0.356 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.942 -0.143 4.860 1.00 0.00 H new ATOM 879 N PHE A 474 0.590 -0.341 5.748 1.00 0.00 N ATOM 880 CA PHE A 474 -0.222 -1.396 6.329 1.00 0.00 C ATOM 881 C PHE A 474 0.487 -2.747 6.236 1.00 0.00 C ATOM 882 O PHE A 474 1.175 -3.026 5.255 1.00 0.00 O ATOM 883 CB PHE A 474 -1.520 -1.459 5.524 1.00 0.00 C ATOM 884 CG PHE A 474 -1.603 -2.649 4.567 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.661 -3.914 5.061 1.00 0.00 C ATOM 886 CD2 PHE A 474 -1.618 -2.441 3.223 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.738 -5.020 4.173 1.00 0.00 C ATOM 888 CE2 PHE A 474 -1.693 -3.547 2.335 1.00 0.00 C ATOM 889 CZ PHE A 474 -1.753 -4.813 2.829 1.00 0.00 C ATOM 0 H PHE A 474 1.114 -0.615 4.917 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.407 -1.184 7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.362 -1.503 6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.625 -0.538 4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.649 -4.078 6.128 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.573 -1.436 2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -1.785 -6.025 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -1.702 -3.383 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 474 -1.813 -5.654 2.154 1.00 0.00 H new ATOM 899 N GLN A 475 0.296 -3.553 7.271 1.00 0.00 N ATOM 900 CA GLN A 475 0.910 -4.869 7.318 1.00 0.00 C ATOM 901 C GLN A 475 -0.131 -5.927 7.687 1.00 0.00 C ATOM 902 O GLN A 475 -0.922 -5.729 8.608 1.00 0.00 O ATOM 903 CB GLN A 475 2.086 -4.892 8.296 1.00 0.00 C ATOM 904 CG GLN A 475 1.603 -5.127 9.728 1.00 0.00 C ATOM 905 CD GLN A 475 2.784 -5.250 10.693 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.543 -4.320 10.909 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.899 -6.449 11.258 1.00 0.00 N ATOM 0 H GLN A 475 -0.275 -3.320 8.083 1.00 0.00 H new ATOM 0 HA GLN A 475 1.301 -5.101 6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.786 -5.678 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.628 -3.948 8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.960 -4.303 10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 475 1.000 -6.034 9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.229 -7.185 11.034 1.00 0.00 H new ATOM 0 HE22 GLN A 475 3.657 -6.632 11.915 1.00 0.00 H new ATOM 916 N CYS A 476 -0.097 -7.027 6.951 1.00 0.00 N ATOM 917 CA CYS A 476 -1.029 -8.118 7.190 1.00 0.00 C ATOM 918 C CYS A 476 -0.225 -9.354 7.599 1.00 0.00 C ATOM 919 O CYS A 476 0.588 -9.854 6.825 1.00 0.00 O ATOM 920 CB CYS A 476 -1.909 -8.387 5.968 1.00 0.00 C ATOM 921 SG CYS A 476 -0.993 -8.737 4.423 1.00 0.00 S ATOM 0 H CYS A 476 0.561 -7.188 6.188 1.00 0.00 H new ATOM 0 HA CYS A 476 -1.712 -7.848 7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.561 -9.233 6.187 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -2.553 -7.523 5.804 1.00 0.00 H new ATOM 926 N ILE A 477 -0.483 -9.811 8.815 1.00 0.00 N ATOM 927 CA ILE A 477 0.204 -10.982 9.337 1.00 0.00 C ATOM 928 C ILE A 477 -0.474 -12.246 8.805 1.00 0.00 C ATOM 929 O ILE A 477 -1.698 -12.301 8.701 1.00 0.00 O ATOM 930 CB ILE A 477 0.282 -10.921 10.863 1.00 0.00 C ATOM 931 CG1 ILE A 477 1.176 -9.766 11.322 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.735 -12.263 11.443 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.642 -10.039 10.977 1.00 0.00 C ATOM 0 H ILE A 477 -1.158 -9.392 9.455 1.00 0.00 H new ATOM 0 HA ILE A 477 1.237 -11.004 8.989 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.719 -10.725 11.248 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.853 -8.840 10.847 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.072 -9.625 12.398 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.782 -12.192 12.530 1.00 0.00 H new ATOM 0 HG22 ILE A 477 0.025 -13.040 11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.721 -12.514 11.053 1.00 0.00 H new ATOM 0 HD11 ILE A 477 3.257 -9.204 11.313 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.969 -10.953 11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.746 -10.155 9.898 1.00 0.00 H new ATOM 945 N CYS A 478 0.352 -13.230 8.482 1.00 0.00 N ATOM 946 CA CYS A 478 -0.153 -14.491 7.965 1.00 0.00 C ATOM 947 C CYS A 478 -0.143 -15.516 9.100 1.00 0.00 C ATOM 948 O CYS A 478 0.678 -15.429 10.013 1.00 0.00 O ATOM 949 CB CYS A 478 0.656 -14.970 6.757 1.00 0.00 C ATOM 950 SG CYS A 478 0.827 -13.741 5.412 1.00 0.00 S ATOM 0 H CYS A 478 1.367 -13.180 8.568 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.174 -14.357 7.608 1.00 0.00 H new ATOM 0 HB2 CYS A 478 1.651 -15.258 7.095 1.00 0.00 H new ATOM 0 HB3 CYS A 478 0.184 -15.866 6.354 1.00 0.00 H new ATOM 955 N MET A 479 -1.066 -16.462 9.009 1.00 0.00 N ATOM 956 CA MET A 479 -1.174 -17.502 10.017 1.00 0.00 C ATOM 957 C MET A 479 -0.229 -18.666 9.710 1.00 0.00 C ATOM 958 O MET A 479 0.092 -18.919 8.549 1.00 0.00 O ATOM 959 CB MET A 479 -2.615 -18.015 10.069 1.00 0.00 C ATOM 960 CG MET A 479 -3.608 -16.853 10.125 1.00 0.00 C ATOM 961 SD MET A 479 -5.202 -17.383 9.521 1.00 0.00 S ATOM 962 CE MET A 479 -6.245 -16.800 10.846 1.00 0.00 C ATOM 0 H MET A 479 -1.746 -16.530 8.252 1.00 0.00 H new ATOM 0 HA MET A 479 -0.894 -17.077 10.981 1.00 0.00 H new ATOM 0 HB2 MET A 479 -2.818 -18.630 9.192 1.00 0.00 H new ATOM 0 HB3 MET A 479 -2.746 -18.653 10.943 1.00 0.00 H new ATOM 0 HG2 MET A 479 -3.700 -16.491 11.149 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.241 -16.021 9.525 1.00 0.00 H new ATOM 0 HE1 MET A 479 -7.283 -17.050 10.629 1.00 0.00 H new ATOM 0 HE2 MET A 479 -5.945 -17.274 11.780 1.00 0.00 H new ATOM 0 HE3 MET A 479 -6.144 -15.719 10.940 1.00 0.00 H new ATOM 972 N PRO A 480 0.202 -19.359 10.796 1.00 0.00 N ATOM 973 CA PRO A 480 1.105 -20.490 10.654 1.00 0.00 C ATOM 974 C PRO A 480 0.364 -21.718 10.120 1.00 0.00 C ATOM 975 O PRO A 480 0.083 -22.652 10.869 1.00 0.00 O ATOM 976 CB PRO A 480 1.689 -20.704 12.040 1.00 0.00 C ATOM 977 CG PRO A 480 0.751 -19.992 13.003 1.00 0.00 C ATOM 978 CD PRO A 480 -0.157 -19.088 12.184 1.00 0.00 C ATOM 0 HA PRO A 480 1.897 -20.308 9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 480 1.757 -21.766 12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 480 2.698 -20.297 12.106 1.00 0.00 H new ATOM 0 HG2 PRO A 480 0.162 -20.715 13.567 1.00 0.00 H new ATOM 0 HG3 PRO A 480 1.319 -19.408 13.728 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -1.208 -19.308 12.371 1.00 0.00 H new ATOM 0 HD3 PRO A 480 -0.002 -18.039 12.435 1.00 0.00 H new ATOM 986 N GLY A 481 0.071 -21.677 8.829 1.00 0.00 N ATOM 987 CA GLY A 481 -0.631 -22.775 8.186 1.00 0.00 C ATOM 988 C GLY A 481 -0.971 -22.434 6.734 1.00 0.00 C ATOM 989 O GLY A 481 -0.981 -23.311 5.872 1.00 0.00 O ATOM 0 H GLY A 481 0.307 -20.901 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 481 -0.014 -23.673 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -1.546 -22.997 8.735 1.00 0.00 H new ATOM 993 N TYR A 482 -1.242 -21.156 6.507 1.00 0.00 N ATOM 994 CA TYR A 482 -1.582 -20.688 5.174 1.00 0.00 C ATOM 995 C TYR A 482 -0.469 -19.808 4.602 1.00 0.00 C ATOM 996 O TYR A 482 0.458 -19.429 5.317 1.00 0.00 O ATOM 997 CB TYR A 482 -2.849 -19.848 5.334 1.00 0.00 C ATOM 998 CG TYR A 482 -4.110 -20.668 5.611 1.00 0.00 C ATOM 999 CD1 TYR A 482 -4.545 -21.599 4.689 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -4.815 -20.477 6.783 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -5.731 -22.371 4.951 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -6.003 -21.250 7.044 1.00 0.00 C ATOM 1003 CZ TYR A 482 -6.401 -22.159 6.115 1.00 0.00 C ATOM 1004 OH TYR A 482 -7.522 -22.889 6.361 1.00 0.00 O ATOM 0 H TYR A 482 -1.233 -20.431 7.224 1.00 0.00 H new ATOM 0 HA TYR A 482 -1.721 -21.529 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.702 -19.140 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -3.001 -19.262 4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -3.995 -21.748 3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -4.476 -19.748 7.504 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -6.081 -23.103 4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -6.564 -21.110 7.956 1.00 0.00 H new ATOM 0 HH TYR A 482 -7.896 -22.632 7.230 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.596 -19.509 3.319 1.00 0.00 N ATOM 1015 CA GLU A 483 0.387 -18.680 2.642 1.00 0.00 C ATOM 1016 C GLU A 483 -0.232 -18.022 1.407 1.00 0.00 C ATOM 1017 O GLU A 483 -1.406 -18.235 1.109 1.00 0.00 O ATOM 1018 CB GLU A 483 1.626 -19.496 2.265 1.00 0.00 C ATOM 1019 CG GLU A 483 2.881 -18.623 2.269 1.00 0.00 C ATOM 1020 CD GLU A 483 3.911 -19.144 3.272 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.142 -20.360 3.347 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.482 -18.237 3.989 1.00 0.00 O ATOM 0 H GLU A 483 -1.365 -19.826 2.729 1.00 0.00 H new ATOM 0 HA GLU A 483 0.704 -17.894 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.750 -20.320 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.489 -19.937 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 483 3.318 -18.605 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 483 2.613 -17.596 2.519 1.00 0.00 H new ATOM 1030 N GLY A 484 0.585 -17.234 0.724 1.00 0.00 N ATOM 1031 CA GLY A 484 0.132 -16.543 -0.472 1.00 0.00 C ATOM 1032 C GLY A 484 0.135 -15.028 -0.263 1.00 0.00 C ATOM 1033 O GLY A 484 0.682 -14.534 0.722 1.00 0.00 O ATOM 0 H GLY A 484 1.558 -17.058 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.778 -16.799 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.873 -16.876 -0.730 1.00 0.00 H new ATOM 1037 N VAL A 485 -0.482 -14.331 -1.206 1.00 0.00 N ATOM 1038 CA VAL A 485 -0.558 -12.882 -1.138 1.00 0.00 C ATOM 1039 C VAL A 485 -1.575 -12.478 -0.069 1.00 0.00 C ATOM 1040 O VAL A 485 -1.373 -11.497 0.646 1.00 0.00 O ATOM 1041 CB VAL A 485 -0.881 -12.309 -2.519 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -2.351 -11.890 -2.607 1.00 0.00 C ATOM 1043 CG2 VAL A 485 0.043 -11.139 -2.859 1.00 0.00 C ATOM 0 H VAL A 485 -0.934 -14.744 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 485 0.404 -12.463 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 485 -0.710 -13.094 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -2.555 -11.486 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -2.988 -12.757 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -2.558 -11.128 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -0.209 -10.751 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -0.081 -10.350 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 485 1.078 -11.480 -2.857 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.645 -13.254 0.006 1.00 0.00 N ATOM 1054 CA HIS A 486 -3.695 -12.990 0.976 1.00 0.00 C ATOM 1055 C HIS A 486 -3.623 -14.020 2.104 1.00 0.00 C ATOM 1056 O HIS A 486 -4.538 -14.117 2.922 1.00 0.00 O ATOM 1057 CB HIS A 486 -5.066 -12.950 0.296 1.00 0.00 C ATOM 1058 CG HIS A 486 -5.332 -14.120 -0.620 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -4.684 -15.312 -0.753 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -6.369 -14.135 -1.534 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -5.294 -16.019 -1.696 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -6.339 -15.291 -2.183 1.00 0.00 N flip ATOM 0 H HIS A 486 -2.808 -14.066 -0.589 1.00 0.00 H new ATOM 0 HA HIS A 486 -3.545 -12.006 1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.840 -12.919 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -5.149 -12.027 -0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -7.083 -13.340 -1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -5.010 -17.008 -2.024 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -6.984 -15.584 -2.917 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.528 -14.766 2.112 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.324 -15.786 3.126 1.00 0.00 C ATOM 1072 C CYS A 487 -3.645 -16.530 3.332 1.00 0.00 C ATOM 1073 O CYS A 487 -4.108 -16.683 4.462 1.00 0.00 O ATOM 1074 CB CYS A 487 -1.798 -15.189 4.433 1.00 0.00 C ATOM 1075 SG CYS A 487 -0.708 -13.733 4.225 1.00 0.00 S ATOM 0 H CYS A 487 -1.772 -14.684 1.432 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.560 -16.487 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -2.647 -14.904 5.054 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -1.251 -15.961 4.975 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.219 -16.972 2.221 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.477 -17.696 2.265 1.00 0.00 C ATOM 1082 C GLU A 488 -5.361 -19.010 1.493 1.00 0.00 C ATOM 1083 O GLU A 488 -6.336 -19.752 1.373 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.622 -16.838 1.720 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.973 -17.519 1.948 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.723 -17.704 0.628 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.105 -17.674 -0.446 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.995 -17.886 0.744 1.00 0.00 O ATOM 0 H GLU A 488 -3.835 -16.842 1.285 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.704 -17.929 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.615 -15.863 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.474 -16.662 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.820 -18.488 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -8.575 -16.921 2.632 1.00 0.00 H new ATOM 1096 N VAL A 489 -4.162 -19.258 0.985 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.907 -20.471 0.227 1.00 0.00 C ATOM 1098 C VAL A 489 -3.260 -21.512 1.142 1.00 0.00 C ATOM 1099 O VAL A 489 -2.278 -21.223 1.822 1.00 0.00 O ATOM 1100 CB VAL A 489 -3.057 -20.148 -1.005 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -3.175 -18.669 -1.380 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -1.596 -20.543 -0.780 1.00 0.00 C ATOM 0 H VAL A 489 -3.357 -18.639 1.084 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.841 -20.896 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 489 -3.438 -20.736 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.562 -18.466 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -4.216 -18.432 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.832 -18.054 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -1.013 -20.303 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -1.198 -19.994 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -1.535 -21.613 -0.583 1.00 0.00 H new ATOM 1112 N ASN A 490 -3.839 -22.705 1.128 1.00 0.00 N ATOM 1113 CA ASN A 490 -3.332 -23.792 1.949 1.00 0.00 C ATOM 1114 C ASN A 490 -2.024 -24.310 1.348 1.00 0.00 C ATOM 1115 O ASN A 490 -1.957 -24.605 0.156 1.00 0.00 O ATOM 1116 CB ASN A 490 -4.325 -24.956 1.996 1.00 0.00 C ATOM 1117 CG ASN A 490 -3.687 -26.195 2.626 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -3.040 -26.135 3.660 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -3.904 -27.320 1.950 1.00 0.00 N ATOM 0 H ASN A 490 -4.653 -22.942 0.562 1.00 0.00 H new ATOM 0 HA ASN A 490 -3.177 -23.410 2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -5.205 -24.665 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -4.664 -25.190 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -3.520 -28.202 2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -4.454 -27.301 1.091 1.00 0.00 H new ATOM 1126 N THR A 491 -1.015 -24.408 2.203 1.00 0.00 N ATOM 1127 CA THR A 491 0.288 -24.885 1.772 1.00 0.00 C ATOM 1128 C THR A 491 0.317 -26.416 1.759 1.00 0.00 C ATOM 1129 O THR A 491 -0.297 -27.059 2.610 1.00 0.00 O ATOM 1130 CB THR A 491 1.345 -24.265 2.687 1.00 0.00 C ATOM 1131 OG1 THR A 491 2.576 -24.798 2.205 1.00 0.00 O ATOM 1132 CG2 THR A 491 1.251 -24.783 4.124 1.00 0.00 C ATOM 0 H THR A 491 -1.074 -24.165 3.192 1.00 0.00 H new ATOM 0 HA THR A 491 0.504 -24.578 0.749 1.00 0.00 H new ATOM 0 HB THR A 491 1.237 -23.180 2.685 1.00 0.00 H new ATOM 0 HG1 THR A 491 3.317 -24.446 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 491 2.023 -24.312 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 491 0.270 -24.543 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 491 1.393 -25.864 4.131 1.00 0.00 H new ATOM 1140 N ASP A 492 1.035 -26.954 0.785 1.00 0.00 N ATOM 1141 CA ASP A 492 1.152 -28.396 0.651 1.00 0.00 C ATOM 1142 C ASP A 492 2.245 -28.905 1.592 1.00 0.00 C ATOM 1143 O ASP A 492 3.228 -28.208 1.843 1.00 0.00 O ATOM 1144 CB ASP A 492 1.539 -28.786 -0.777 1.00 0.00 C ATOM 1145 CG ASP A 492 0.761 -29.969 -1.358 1.00 0.00 C ATOM 1146 OD1 ASP A 492 -0.284 -29.792 -2.001 1.00 0.00 O ATOM 1147 OD2 ASP A 492 1.277 -31.129 -1.123 1.00 0.00 O ATOM 0 H ASP A 492 1.542 -26.418 0.081 1.00 0.00 H new ATOM 0 HA ASP A 492 0.186 -28.837 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 492 1.394 -27.922 -1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 492 2.602 -29.025 -0.797 1.00 0.00 H new ATOM 1153 N GLU A 493 2.038 -30.116 2.088 1.00 0.00 N ATOM 1154 CA GLU A 493 2.994 -30.727 2.996 1.00 0.00 C ATOM 1155 C GLU A 493 3.431 -32.093 2.468 1.00 0.00 C ATOM 1156 O GLU A 493 4.202 -32.797 3.118 1.00 0.00 O ATOM 1157 CB GLU A 493 2.412 -30.843 4.406 1.00 0.00 C ATOM 1158 CG GLU A 493 2.605 -29.542 5.189 1.00 0.00 C ATOM 1159 CD GLU A 493 1.328 -28.699 5.172 1.00 0.00 C ATOM 1160 OE1 GLU A 493 1.200 -27.784 4.345 1.00 0.00 O ATOM 1161 OE2 GLU A 493 0.448 -29.024 6.058 1.00 0.00 O ATOM 0 H GLU A 493 1.222 -30.691 1.878 1.00 0.00 H new ATOM 0 HA GLU A 493 3.873 -30.085 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 493 1.350 -31.081 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 493 2.894 -31.665 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 493 2.881 -29.770 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 493 3.428 -28.972 4.757 1.00 0.00 H new ATOM 1169 N CYS A 494 2.918 -32.430 1.293 1.00 0.00 N ATOM 1170 CA CYS A 494 3.244 -33.701 0.671 1.00 0.00 C ATOM 1171 C CYS A 494 4.267 -33.444 -0.438 1.00 0.00 C ATOM 1172 O CYS A 494 4.056 -33.830 -1.586 1.00 0.00 O ATOM 1173 CB CYS A 494 1.996 -34.409 0.140 1.00 0.00 C ATOM 1174 SG CYS A 494 1.011 -35.283 1.412 1.00 0.00 S ATOM 0 H CYS A 494 2.279 -31.844 0.756 1.00 0.00 H new ATOM 0 HA CYS A 494 3.674 -34.372 1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 494 1.359 -33.673 -0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 494 2.299 -35.127 -0.622 1.00 0.00 H new ATOM 1179 N ALA A 495 5.356 -32.792 -0.055 1.00 0.00 N ATOM 1180 CA ALA A 495 6.414 -32.479 -1.001 1.00 0.00 C ATOM 1181 C ALA A 495 6.987 -33.779 -1.567 1.00 0.00 C ATOM 1182 O ALA A 495 7.362 -33.838 -2.736 1.00 0.00 O ATOM 1183 CB ALA A 495 7.477 -31.622 -0.312 1.00 0.00 C ATOM 0 H ALA A 495 5.528 -32.472 0.898 1.00 0.00 H new ATOM 0 HA ALA A 495 6.023 -31.901 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 495 8.271 -31.387 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 495 7.024 -30.697 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 495 7.895 -32.170 0.532 1.00 0.00 H new ATOM 1189 N SER A 496 7.037 -34.789 -0.711 1.00 0.00 N ATOM 1190 CA SER A 496 7.558 -36.085 -1.112 1.00 0.00 C ATOM 1191 C SER A 496 6.998 -37.179 -0.201 1.00 0.00 C ATOM 1192 O SER A 496 5.816 -37.166 0.136 1.00 0.00 O ATOM 1193 CB SER A 496 9.087 -36.097 -1.077 1.00 0.00 C ATOM 1194 OG SER A 496 9.632 -37.124 -1.901 1.00 0.00 O ATOM 0 H SER A 496 6.725 -34.736 0.259 1.00 0.00 H new ATOM 0 HA SER A 496 7.243 -36.279 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 496 9.465 -35.129 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 496 9.425 -36.238 -0.050 1.00 0.00 H new ATOM 0 HG SER A 496 10.610 -37.097 -1.853 1.00 0.00 H new ATOM 1200 N SER A 497 7.876 -38.099 0.173 1.00 0.00 N ATOM 1201 CA SER A 497 7.483 -39.197 1.040 1.00 0.00 C ATOM 1202 C SER A 497 6.051 -39.631 0.719 1.00 0.00 C ATOM 1203 O SER A 497 5.125 -39.333 1.473 1.00 0.00 O ATOM 1204 CB SER A 497 7.602 -38.807 2.513 1.00 0.00 C ATOM 1205 OG SER A 497 8.813 -39.283 3.096 1.00 0.00 O ATOM 0 H SER A 497 8.856 -38.106 -0.108 1.00 0.00 H new ATOM 0 HA SER A 497 8.158 -40.033 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 497 7.557 -37.722 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 497 6.752 -39.209 3.064 1.00 0.00 H new ATOM 0 HG SER A 497 8.852 -39.012 4.037 1.00 0.00 H new ATOM 1211 N PRO A 498 5.910 -40.345 -0.429 1.00 0.00 N ATOM 1212 CA PRO A 498 4.606 -40.823 -0.859 1.00 0.00 C ATOM 1213 C PRO A 498 4.156 -42.019 -0.018 1.00 0.00 C ATOM 1214 O PRO A 498 3.090 -42.584 -0.256 1.00 0.00 O ATOM 1215 CB PRO A 498 4.776 -41.161 -2.330 1.00 0.00 C ATOM 1216 CG PRO A 498 6.273 -41.304 -2.555 1.00 0.00 C ATOM 1217 CD PRO A 498 6.983 -40.717 -1.346 1.00 0.00 C ATOM 0 HA PRO A 498 3.820 -40.080 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 498 4.253 -42.084 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 498 4.359 -40.376 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 498 6.541 -42.353 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 498 6.574 -40.784 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 498 7.658 -41.443 -0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 498 7.585 -39.852 -1.622 1.00 0.00 H new ATOM 1225 N CYS A 499 4.991 -42.370 0.949 1.00 0.00 N ATOM 1226 CA CYS A 499 4.693 -43.489 1.827 1.00 0.00 C ATOM 1227 C CYS A 499 4.473 -44.733 0.962 1.00 0.00 C ATOM 1228 O CYS A 499 3.582 -45.534 1.236 1.00 0.00 O ATOM 1229 CB CYS A 499 3.488 -43.199 2.725 1.00 0.00 C ATOM 1230 SG CYS A 499 3.892 -42.371 4.306 1.00 0.00 S ATOM 0 H CYS A 499 5.874 -41.899 1.144 1.00 0.00 H new ATOM 0 HA CYS A 499 5.533 -43.659 2.501 1.00 0.00 H new ATOM 0 HB2 CYS A 499 2.784 -42.576 2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 499 2.980 -44.139 2.942 1.00 0.00 H new ATOM 1235 N LEU A 500 5.303 -44.855 -0.063 1.00 0.00 N ATOM 1236 CA LEU A 500 5.212 -45.987 -0.970 1.00 0.00 C ATOM 1237 C LEU A 500 5.160 -47.282 -0.157 1.00 0.00 C ATOM 1238 O LEU A 500 6.127 -47.633 0.519 1.00 0.00 O ATOM 1239 CB LEU A 500 6.349 -45.947 -1.993 1.00 0.00 C ATOM 1240 CG LEU A 500 5.976 -46.338 -3.425 1.00 0.00 C ATOM 1241 CD1 LEU A 500 5.741 -47.847 -3.537 1.00 0.00 C ATOM 1242 CD2 LEU A 500 4.772 -45.533 -3.918 1.00 0.00 C ATOM 0 H LEU A 500 6.042 -44.188 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 500 4.291 -45.938 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 500 6.762 -44.938 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 500 7.143 -46.611 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 500 6.815 -46.092 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 500 5.477 -48.099 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 500 6.650 -48.379 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 500 4.928 -48.139 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 500 4.528 -45.831 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 500 3.917 -45.724 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 500 5.012 -44.470 -3.898 1.00 0.00 H new ATOM 1254 N HIS A 501 4.024 -47.956 -0.250 1.00 0.00 N ATOM 1255 CA HIS A 501 3.835 -49.206 0.468 1.00 0.00 C ATOM 1256 C HIS A 501 3.420 -48.911 1.910 1.00 0.00 C ATOM 1257 O HIS A 501 2.528 -49.563 2.450 1.00 0.00 O ATOM 1258 CB HIS A 501 5.087 -50.080 0.380 1.00 0.00 C ATOM 1259 CG HIS A 501 5.725 -50.377 1.715 1.00 0.00 C ATOM 1260 ND1 HIS A 501 6.278 -49.546 2.644 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 5.842 -51.661 2.221 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 6.709 -50.280 3.662 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 6.441 -51.592 3.401 1.00 0.00 N flip ATOM 0 H HIS A 501 3.225 -47.661 -0.811 1.00 0.00 H new ATOM 0 HA HIS A 501 3.031 -49.777 0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 501 4.827 -51.021 -0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 501 5.819 -49.585 -0.258 1.00 0.00 H new ATOM 0 HD2 HIS A 501 5.503 -52.565 1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 501 7.192 -49.901 4.551 1.00 0.00 H new ATOM 0 HE2 HIS A 501 6.663 -52.381 4.008 1.00 0.00 H new ATOM 1271 N ASN A 502 4.086 -47.925 2.495 1.00 0.00 N ATOM 1272 CA ASN A 502 3.797 -47.535 3.864 1.00 0.00 C ATOM 1273 C ASN A 502 2.403 -46.906 3.927 1.00 0.00 C ATOM 1274 O ASN A 502 1.796 -46.839 4.995 1.00 0.00 O ATOM 1275 CB ASN A 502 4.806 -46.502 4.367 1.00 0.00 C ATOM 1276 CG ASN A 502 5.728 -47.105 5.428 1.00 0.00 C ATOM 1277 OD1 ASN A 502 6.715 -47.758 5.131 1.00 0.00 O ATOM 1278 ND2 ASN A 502 5.352 -46.854 6.679 1.00 0.00 N ATOM 0 H ASN A 502 4.825 -47.385 2.045 1.00 0.00 H new ATOM 0 HA ASN A 502 3.854 -48.427 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 502 5.401 -46.133 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 502 4.277 -45.645 4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 502 5.901 -47.215 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 502 4.515 -46.300 6.858 1.00 0.00 H new ATOM 1285 N GLY A 503 1.937 -46.459 2.771 1.00 0.00 N ATOM 1286 CA GLY A 503 0.627 -45.836 2.681 1.00 0.00 C ATOM 1287 C GLY A 503 0.628 -44.704 1.652 1.00 0.00 C ATOM 1288 O GLY A 503 1.384 -44.742 0.682 1.00 0.00 O ATOM 0 H GLY A 503 2.443 -46.516 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 503 -0.117 -46.583 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 503 0.338 -45.445 3.657 1.00 0.00 H new ATOM 1292 N ARG A 504 -0.229 -43.723 1.899 1.00 0.00 N ATOM 1293 CA ARG A 504 -0.338 -42.583 1.006 1.00 0.00 C ATOM 1294 C ARG A 504 -0.252 -41.278 1.800 1.00 0.00 C ATOM 1295 O ARG A 504 -0.711 -41.208 2.939 1.00 0.00 O ATOM 1296 CB ARG A 504 -1.655 -42.614 0.231 1.00 0.00 C ATOM 1297 CG ARG A 504 -1.459 -42.121 -1.205 1.00 0.00 C ATOM 1298 CD ARG A 504 -2.025 -40.711 -1.383 1.00 0.00 C ATOM 1299 NE ARG A 504 -0.960 -39.790 -1.837 1.00 0.00 N ATOM 1300 CZ ARG A 504 -1.187 -38.637 -2.500 1.00 0.00 C ATOM 1301 NH1 ARG A 504 -2.447 -38.251 -2.792 1.00 0.00 N ATOM 1302 NH2 ARG A 504 -0.160 -37.890 -2.859 1.00 0.00 N ATOM 0 H ARG A 504 -0.854 -43.695 2.705 1.00 0.00 H new ATOM 0 HA ARG A 504 0.488 -42.637 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -2.050 -43.630 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -2.393 -41.990 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -0.398 -42.124 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -1.950 -42.804 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -2.838 -40.726 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -2.445 -40.358 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 504 0.008 -40.043 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -3.237 -38.832 -2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -2.610 -37.378 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 504 0.790 -38.187 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -0.316 -37.016 -3.361 1.00 0.00 H new ATOM 1315 N CYS A 505 0.341 -40.276 1.169 1.00 0.00 N ATOM 1316 CA CYS A 505 0.493 -38.976 1.802 1.00 0.00 C ATOM 1317 C CYS A 505 -0.717 -38.115 1.430 1.00 0.00 C ATOM 1318 O CYS A 505 -1.106 -38.056 0.264 1.00 0.00 O ATOM 1319 CB CYS A 505 1.811 -38.306 1.410 1.00 0.00 C ATOM 1320 SG CYS A 505 2.134 -36.705 2.236 1.00 0.00 S ATOM 0 H CYS A 505 0.723 -40.337 0.225 1.00 0.00 H new ATOM 0 HA CYS A 505 0.531 -39.099 2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 505 2.631 -38.988 1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 505 1.816 -38.150 0.331 1.00 0.00 H new ATOM 1325 N LEU A 506 -1.278 -37.472 2.441 1.00 0.00 N ATOM 1326 CA LEU A 506 -2.436 -36.618 2.236 1.00 0.00 C ATOM 1327 C LEU A 506 -2.099 -35.194 2.682 1.00 0.00 C ATOM 1328 O LEU A 506 -1.508 -34.994 3.742 1.00 0.00 O ATOM 1329 CB LEU A 506 -3.665 -37.205 2.931 1.00 0.00 C ATOM 1330 CG LEU A 506 -4.482 -38.210 2.115 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -5.510 -38.924 2.994 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -5.132 -37.534 0.907 1.00 0.00 C ATOM 0 H LEU A 506 -0.953 -37.524 3.406 1.00 0.00 H new ATOM 0 HA LEU A 506 -2.691 -36.569 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -3.340 -37.693 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -4.321 -36.384 3.221 1.00 0.00 H new ATOM 0 HG LEU A 506 -3.803 -38.972 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -6.077 -39.632 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -4.997 -39.459 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -6.190 -38.191 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -5.707 -38.269 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -5.795 -36.739 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -4.358 -37.111 0.267 1.00 0.00 H new ATOM 1344 N ASP A 507 -2.490 -34.239 1.851 1.00 0.00 N ATOM 1345 CA ASP A 507 -2.238 -32.840 2.145 1.00 0.00 C ATOM 1346 C ASP A 507 -3.504 -32.209 2.727 1.00 0.00 C ATOM 1347 O ASP A 507 -4.392 -31.790 1.985 1.00 0.00 O ATOM 1348 CB ASP A 507 -1.865 -32.069 0.878 1.00 0.00 C ATOM 1349 CG ASP A 507 -1.822 -30.547 1.035 1.00 0.00 C ATOM 1350 OD1 ASP A 507 -2.031 -29.799 0.069 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -1.558 -30.129 2.227 1.00 0.00 O ATOM 0 H ASP A 507 -2.980 -34.408 0.973 1.00 0.00 H new ATOM 0 HA ASP A 507 -1.412 -32.789 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -0.888 -32.412 0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -2.581 -32.318 0.095 1.00 0.00 H new ATOM 1357 N LYS A 508 -3.548 -32.160 4.051 1.00 0.00 N ATOM 1358 CA LYS A 508 -4.692 -31.586 4.740 1.00 0.00 C ATOM 1359 C LYS A 508 -4.363 -30.152 5.157 1.00 0.00 C ATOM 1360 O LYS A 508 -3.256 -29.872 5.614 1.00 0.00 O ATOM 1361 CB LYS A 508 -5.118 -32.482 5.905 1.00 0.00 C ATOM 1362 CG LYS A 508 -5.814 -33.747 5.396 1.00 0.00 C ATOM 1363 CD LYS A 508 -5.426 -34.963 6.240 1.00 0.00 C ATOM 1364 CE LYS A 508 -6.083 -34.904 7.621 1.00 0.00 C ATOM 1365 NZ LYS A 508 -5.699 -36.084 8.429 1.00 0.00 N ATOM 0 H LYS A 508 -2.811 -32.508 4.664 1.00 0.00 H new ATOM 0 HA LYS A 508 -5.553 -31.535 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.244 -32.756 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.790 -31.933 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -6.895 -33.609 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -5.544 -33.921 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -5.728 -35.877 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -4.342 -35.003 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -5.782 -33.991 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -7.167 -34.867 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -6.475 -36.328 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -5.508 -36.889 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -4.844 -35.865 8.979 1.00 0.00 H new ATOM 1378 N ILE A 509 -5.347 -29.280 4.986 1.00 0.00 N ATOM 1379 CA ILE A 509 -5.175 -27.880 5.339 1.00 0.00 C ATOM 1380 C ILE A 509 -4.938 -27.764 6.846 1.00 0.00 C ATOM 1381 O ILE A 509 -5.856 -27.444 7.600 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.360 -27.053 4.836 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -6.750 -27.461 3.415 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -6.068 -25.555 4.944 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -7.941 -28.423 3.427 1.00 0.00 C ATOM 0 H ILE A 509 -6.265 -29.515 4.608 1.00 0.00 H new ATOM 0 HA ILE A 509 -4.295 -27.467 4.846 1.00 0.00 H new ATOM 0 HB ILE A 509 -7.218 -27.260 5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.001 -26.573 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -5.901 -27.935 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.926 -24.990 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.878 -25.296 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.192 -25.311 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -8.198 -28.697 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -7.679 -29.320 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -8.796 -27.938 3.898 1.00 0.00 H new ATOM 1397 N ASN A 510 -3.702 -28.031 7.240 1.00 0.00 N ATOM 1398 CA ASN A 510 -3.333 -27.961 8.645 1.00 0.00 C ATOM 1399 C ASN A 510 -2.094 -28.825 8.886 1.00 0.00 C ATOM 1400 O ASN A 510 -1.203 -28.443 9.641 1.00 0.00 O ATOM 1401 CB ASN A 510 -4.459 -28.486 9.538 1.00 0.00 C ATOM 1402 CG ASN A 510 -5.179 -27.338 10.248 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -4.582 -26.350 10.645 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -6.488 -27.521 10.384 1.00 0.00 N ATOM 0 H ASN A 510 -2.943 -28.296 6.612 1.00 0.00 H new ATOM 0 HA ASN A 510 -3.137 -26.917 8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -5.172 -29.050 8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -4.050 -29.175 10.277 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -7.057 -26.811 10.844 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -6.924 -28.372 10.028 1.00 0.00 H new ATOM 1411 N GLU A 511 -2.080 -29.976 8.230 1.00 0.00 N ATOM 1412 CA GLU A 511 -0.965 -30.899 8.364 1.00 0.00 C ATOM 1413 C GLU A 511 -1.090 -32.034 7.344 1.00 0.00 C ATOM 1414 O GLU A 511 -2.116 -32.165 6.679 1.00 0.00 O ATOM 1415 CB GLU A 511 -0.877 -31.450 9.788 1.00 0.00 C ATOM 1416 CG GLU A 511 0.510 -31.207 10.385 1.00 0.00 C ATOM 1417 CD GLU A 511 0.726 -32.062 11.636 1.00 0.00 C ATOM 1418 OE1 GLU A 511 0.364 -33.247 11.647 1.00 0.00 O ATOM 1419 OE2 GLU A 511 1.294 -31.452 12.621 1.00 0.00 O ATOM 0 H GLU A 511 -2.822 -30.291 7.605 1.00 0.00 H new ATOM 0 HA GLU A 511 -0.042 -30.355 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -1.634 -30.976 10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -1.092 -32.519 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 511 1.275 -31.440 9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 511 0.622 -30.152 10.637 1.00 0.00 H new ATOM 1427 N PHE A 512 -0.030 -32.824 7.253 1.00 0.00 N ATOM 1428 CA PHE A 512 -0.009 -33.944 6.328 1.00 0.00 C ATOM 1429 C PHE A 512 -0.155 -35.273 7.069 1.00 0.00 C ATOM 1430 O PHE A 512 0.604 -35.558 7.995 1.00 0.00 O ATOM 1431 CB PHE A 512 1.348 -33.913 5.622 1.00 0.00 C ATOM 1432 CG PHE A 512 2.545 -33.933 6.573 1.00 0.00 C ATOM 1433 CD1 PHE A 512 2.990 -32.774 7.131 1.00 0.00 C ATOM 1434 CD2 PHE A 512 3.165 -35.108 6.862 1.00 0.00 C ATOM 1435 CE1 PHE A 512 4.100 -32.792 8.014 1.00 0.00 C ATOM 1436 CE2 PHE A 512 4.276 -35.125 7.746 1.00 0.00 C ATOM 1437 CZ PHE A 512 4.720 -33.967 8.304 1.00 0.00 C ATOM 0 H PHE A 512 0.820 -32.710 7.805 1.00 0.00 H new ATOM 0 HA PHE A 512 -0.837 -33.861 5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 512 1.416 -34.769 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 512 1.404 -33.017 5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 512 2.498 -31.840 6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 512 2.813 -36.028 6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 512 4.453 -31.872 8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 512 4.769 -36.058 7.975 1.00 0.00 H new ATOM 0 HZ PHE A 512 5.565 -33.981 8.977 1.00 0.00 H new ATOM 1447 N GLN A 513 -1.135 -36.052 6.635 1.00 0.00 N ATOM 1448 CA GLN A 513 -1.390 -37.344 7.248 1.00 0.00 C ATOM 1449 C GLN A 513 -1.162 -38.466 6.233 1.00 0.00 C ATOM 1450 O GLN A 513 -1.863 -38.551 5.226 1.00 0.00 O ATOM 1451 CB GLN A 513 -2.805 -37.408 7.826 1.00 0.00 C ATOM 1452 CG GLN A 513 -3.135 -38.820 8.315 1.00 0.00 C ATOM 1453 CD GLN A 513 -4.165 -39.490 7.404 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -3.848 -40.038 6.361 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -5.415 -39.416 7.853 1.00 0.00 N ATOM 0 H GLN A 513 -1.762 -35.813 5.866 1.00 0.00 H new ATOM 0 HA GLN A 513 -0.690 -37.477 8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -2.896 -36.703 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -3.526 -37.105 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -2.226 -39.420 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -3.520 -38.775 9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -5.613 -38.943 8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -6.175 -39.833 7.316 1.00 0.00 H new ATOM 1464 N CYS A 514 -0.177 -39.301 6.533 1.00 0.00 N ATOM 1465 CA CYS A 514 0.152 -40.415 5.658 1.00 0.00 C ATOM 1466 C CYS A 514 -0.814 -41.563 5.957 1.00 0.00 C ATOM 1467 O CYS A 514 -0.538 -42.404 6.811 1.00 0.00 O ATOM 1468 CB CYS A 514 1.613 -40.842 5.814 1.00 0.00 C ATOM 1469 SG CYS A 514 1.987 -42.529 5.211 1.00 0.00 S ATOM 0 H CYS A 514 0.403 -39.229 7.369 1.00 0.00 H new ATOM 0 HA CYS A 514 0.040 -40.110 4.618 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.244 -40.132 5.279 1.00 0.00 H new ATOM 0 HB3 CYS A 514 1.885 -40.779 6.868 1.00 0.00 H new ATOM 1474 N GLU A 515 -1.927 -41.558 5.239 1.00 0.00 N ATOM 1475 CA GLU A 515 -2.936 -42.589 5.416 1.00 0.00 C ATOM 1476 C GLU A 515 -2.295 -43.976 5.351 1.00 0.00 C ATOM 1477 O GLU A 515 -1.139 -44.112 4.952 1.00 0.00 O ATOM 1478 CB GLU A 515 -4.050 -42.450 4.377 1.00 0.00 C ATOM 1479 CG GLU A 515 -3.487 -42.523 2.956 1.00 0.00 C ATOM 1480 CD GLU A 515 -4.061 -43.722 2.200 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -5.242 -43.709 1.823 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -3.232 -44.691 2.006 1.00 0.00 O ATOM 0 H GLU A 515 -2.153 -40.857 4.534 1.00 0.00 H new ATOM 0 HA GLU A 515 -3.386 -42.464 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -4.787 -43.240 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -4.568 -41.501 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -3.723 -41.604 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 515 -2.400 -42.599 2.995 1.00 0.00 H new ATOM 1490 N CYS A 516 -3.074 -44.973 5.747 1.00 0.00 N ATOM 1491 CA CYS A 516 -2.597 -46.344 5.739 1.00 0.00 C ATOM 1492 C CYS A 516 -3.098 -47.020 4.461 1.00 0.00 C ATOM 1493 O CYS A 516 -4.243 -46.822 4.058 1.00 0.00 O ATOM 1494 CB CYS A 516 -3.031 -47.104 6.994 1.00 0.00 C ATOM 1495 SG CYS A 516 -2.686 -48.901 6.963 1.00 0.00 S ATOM 0 H CYS A 516 -4.033 -44.857 6.075 1.00 0.00 H new ATOM 0 HA CYS A 516 -1.507 -46.351 5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -2.529 -46.667 7.858 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -4.101 -46.957 7.139 1.00 0.00 H new ATOM 0 HG CYS A 516 -3.151 -49.413 5.862 1.00 0.00 H new ATOM 1500 N PRO A 517 -2.193 -47.824 3.841 1.00 0.00 N ATOM 1501 CA PRO A 517 -2.531 -48.531 2.618 1.00 0.00 C ATOM 1502 C PRO A 517 -3.445 -49.723 2.908 1.00 0.00 C ATOM 1503 O PRO A 517 -4.034 -49.811 3.984 1.00 0.00 O ATOM 1504 CB PRO A 517 -1.197 -48.937 2.015 1.00 0.00 C ATOM 1505 CG PRO A 517 -0.186 -48.854 3.147 1.00 0.00 C ATOM 1506 CD PRO A 517 -0.826 -48.083 4.289 1.00 0.00 C ATOM 0 HA PRO A 517 -3.096 -47.915 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 517 -1.244 -49.946 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 517 -0.921 -48.274 1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 517 0.102 -49.853 3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 517 0.723 -48.354 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 517 -0.815 -48.662 5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 517 -0.292 -47.154 4.488 1.00 0.00 H new