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 482 TYR OH : rot 180:sc= 0.182 USER MOD Set 1.2: A 490 ASN : amide:sc= 0.294 K(o=0.48,f=-0.52) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -4.42! C(o=-4.4!,f=-6.2!) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -2.98! C(o=-4.1!,f=-3!) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.17! C(o=-2.2!,f=-9.8!) USER MOD Single : A 432 THR OG1 : rot 167:sc= -6.59! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.067) USER MOD Single : A 442 GLN :FLIP amide:sc= -3.15! C(o=-6.4!,f=-3.2!) USER MOD Single : A 444 TYR OH : rot 141:sc= -5.74! USER MOD Single : A 445 THR OG1 : rot 180:sc= 0.0673! USER MOD Single : A 454 ASN : amide:sc= -6.69! C(o=-6.7!,f=-21!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -2.65! X(o=-2.7!,f=-3) USER MOD Single : A 462 GLN :FLIP amide:sc= -2.93 F(o=-5.2!,f=-2.9) USER MOD Single : A 463 ASN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 GLN :FLIP amide:sc= -0.331 F(o=-2,f=-0.33) USER MOD Single : A 475 GLN : amide:sc= -5.88! C(o=-5.9!,f=-14!) USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 HIS :FLIP no HD1:sc= -3.86! C(o=-5.1!,f=-3.9!) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot -148:sc= -0.176 USER MOD Single : A 501 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 502 ASN : amide:sc= -4.21! C(o=-4.2!,f=-4.2!) USER MOD Single : A 508 LYS NZ :NH3+ -140:sc= -1.38 (180deg=-3.38!) USER MOD Single : A 510 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.7!) USER MOD Single : A 513 GLN : amide:sc= -0.0165 K(o=-0.016,f=-0.96) USER MOD Single : A 516 CYS SG : rot 180:sc= -1.81 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 2.257 34.508 6.684 1.00 0.00 N ATOM 19 CA ASP A 412 0.968 34.177 7.269 1.00 0.00 C ATOM 20 C ASP A 412 1.185 33.349 8.537 1.00 0.00 C ATOM 21 O ASP A 412 2.323 33.055 8.904 1.00 0.00 O ATOM 22 CB ASP A 412 0.122 33.346 6.302 1.00 0.00 C ATOM 23 CG ASP A 412 -1.375 33.311 6.619 1.00 0.00 C ATOM 24 OD1 ASP A 412 -2.077 34.325 6.502 1.00 0.00 O ATOM 25 OD2 ASP A 412 -1.821 32.164 7.008 1.00 0.00 O ATOM 0 HA ASP A 412 0.450 35.110 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 412 0.256 33.740 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 412 0.501 32.324 6.297 1.00 0.00 H new ATOM 31 N VAL A 413 0.078 32.996 9.171 1.00 0.00 N ATOM 32 CA VAL A 413 0.133 32.208 10.392 1.00 0.00 C ATOM 33 C VAL A 413 0.234 30.724 10.032 1.00 0.00 C ATOM 34 O VAL A 413 -0.321 30.288 9.024 1.00 0.00 O ATOM 35 CB VAL A 413 -1.075 32.528 11.276 1.00 0.00 C ATOM 36 CG1 VAL A 413 -2.201 31.518 11.051 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.673 32.582 12.752 1.00 0.00 C ATOM 0 H VAL A 413 -0.863 33.241 8.863 1.00 0.00 H new ATOM 0 HA VAL A 413 1.020 32.463 10.972 1.00 0.00 H new ATOM 0 HB VAL A 413 -1.447 33.513 10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.047 31.768 11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -2.514 31.548 10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -1.846 30.517 11.294 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -1.549 32.811 13.359 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.264 31.617 13.053 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.081 33.356 12.896 1.00 0.00 H new ATOM 47 N ASP A 414 0.947 29.992 10.874 1.00 0.00 N ATOM 48 CA ASP A 414 1.129 28.567 10.656 1.00 0.00 C ATOM 49 C ASP A 414 0.026 27.799 11.388 1.00 0.00 C ATOM 50 O ASP A 414 0.255 27.252 12.465 1.00 0.00 O ATOM 51 CB ASP A 414 2.477 28.093 11.204 1.00 0.00 C ATOM 52 CG ASP A 414 2.918 26.707 10.728 1.00 0.00 C ATOM 53 OD1 ASP A 414 4.117 26.392 10.700 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.958 25.924 10.369 1.00 0.00 O ATOM 0 H ASP A 414 1.406 30.358 11.708 1.00 0.00 H new ATOM 0 HA ASP A 414 1.091 28.383 9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 414 3.241 28.817 10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.428 28.088 12.293 1.00 0.00 H new ATOM 60 N GLU A 415 -1.148 27.785 10.774 1.00 0.00 N ATOM 61 CA GLU A 415 -2.288 27.093 11.354 1.00 0.00 C ATOM 62 C GLU A 415 -1.930 25.635 11.647 1.00 0.00 C ATOM 63 O GLU A 415 -2.625 24.962 12.407 1.00 0.00 O ATOM 64 CB GLU A 415 -3.508 27.185 10.437 1.00 0.00 C ATOM 65 CG GLU A 415 -3.944 28.640 10.247 1.00 0.00 C ATOM 66 CD GLU A 415 -3.708 29.100 8.808 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.575 30.306 8.556 1.00 0.00 O ATOM 68 OE2 GLU A 415 -3.666 28.151 7.934 1.00 0.00 O ATOM 0 H GLU A 415 -1.335 28.241 9.881 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.545 27.579 12.295 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.274 26.743 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.330 26.608 10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.000 28.742 10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.391 29.282 10.933 1.00 0.00 H new ATOM 76 N CYS A 416 -0.846 25.189 11.030 1.00 0.00 N ATOM 77 CA CYS A 416 -0.388 23.823 11.216 1.00 0.00 C ATOM 78 C CYS A 416 0.439 23.763 12.502 1.00 0.00 C ATOM 79 O CYS A 416 0.619 22.693 13.080 1.00 0.00 O ATOM 80 CB CYS A 416 0.401 23.321 10.005 1.00 0.00 C ATOM 81 SG CYS A 416 -0.452 22.047 9.006 1.00 0.00 S ATOM 0 H CYS A 416 -0.271 25.750 10.401 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.247 23.159 11.308 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.633 24.171 9.363 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.351 22.915 10.351 1.00 0.00 H new ATOM 86 N SER A 417 0.923 24.928 12.910 1.00 0.00 N ATOM 87 CA SER A 417 1.728 25.023 14.116 1.00 0.00 C ATOM 88 C SER A 417 0.858 25.470 15.292 1.00 0.00 C ATOM 89 O SER A 417 1.231 25.290 16.450 1.00 0.00 O ATOM 90 CB SER A 417 2.898 25.988 13.923 1.00 0.00 C ATOM 91 OG SER A 417 3.926 25.782 14.889 1.00 0.00 O ATOM 0 H SER A 417 0.773 25.814 12.427 1.00 0.00 H new ATOM 0 HA SER A 417 2.139 24.037 14.331 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.311 25.862 12.922 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.537 27.014 13.992 1.00 0.00 H new ATOM 0 HG SER A 417 4.656 26.417 14.731 1.00 0.00 H new ATOM 97 N LEU A 418 -0.286 26.049 14.953 1.00 0.00 N ATOM 98 CA LEU A 418 -1.212 26.525 15.967 1.00 0.00 C ATOM 99 C LEU A 418 -1.881 25.328 16.644 1.00 0.00 C ATOM 100 O LEU A 418 -1.419 24.860 17.684 1.00 0.00 O ATOM 101 CB LEU A 418 -2.203 27.521 15.361 1.00 0.00 C ATOM 102 CG LEU A 418 -1.659 28.924 15.083 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.182 29.460 13.750 1.00 0.00 C ATOM 104 CD2 LEU A 418 -1.967 29.872 16.243 1.00 0.00 C ATOM 0 H LEU A 418 -0.592 26.199 13.992 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.678 27.073 16.743 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.578 27.106 14.425 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.055 27.610 16.034 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.574 28.859 15.001 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -1.780 30.458 13.577 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -1.868 28.798 12.943 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.271 29.507 13.779 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.569 30.862 16.019 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.046 29.937 16.383 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.505 29.493 17.155 1.00 0.00 H new ATOM 116 N GLY A 419 -2.959 24.864 16.027 1.00 0.00 N ATOM 117 CA GLY A 419 -3.695 23.729 16.557 1.00 0.00 C ATOM 118 C GLY A 419 -4.516 23.047 15.460 1.00 0.00 C ATOM 119 O GLY A 419 -5.511 22.383 15.746 1.00 0.00 O ATOM 0 H GLY A 419 -3.340 25.254 15.165 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -3.000 23.012 16.995 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -4.356 24.061 17.357 1.00 0.00 H new ATOM 123 N ALA A 420 -4.068 23.235 14.227 1.00 0.00 N ATOM 124 CA ALA A 420 -4.748 22.647 13.087 1.00 0.00 C ATOM 125 C ALA A 420 -3.751 21.814 12.278 1.00 0.00 C ATOM 126 O ALA A 420 -3.235 22.271 11.260 1.00 0.00 O ATOM 127 CB ALA A 420 -5.395 23.753 12.250 1.00 0.00 C ATOM 0 H ALA A 420 -3.242 23.786 13.993 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.544 21.981 13.419 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.905 23.311 11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.116 24.297 12.861 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.626 24.440 11.898 1.00 0.00 H new ATOM 133 N ASN A 421 -3.509 20.603 12.762 1.00 0.00 N ATOM 134 CA ASN A 421 -2.584 19.701 12.099 1.00 0.00 C ATOM 135 C ASN A 421 -3.334 18.445 11.655 1.00 0.00 C ATOM 136 O ASN A 421 -3.672 17.596 12.479 1.00 0.00 O ATOM 137 CB ASN A 421 -1.460 19.274 13.042 1.00 0.00 C ATOM 138 CG ASN A 421 -0.144 19.092 12.281 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.700 19.972 12.230 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.019 17.905 11.693 1.00 0.00 N ATOM 0 H ASN A 421 -3.939 20.226 13.607 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.156 20.225 11.244 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.332 20.023 13.823 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.730 18.341 13.536 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.822 17.686 11.159 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.764 17.214 11.776 1.00 0.00 H new ATOM 147 N PRO A 422 -3.579 18.362 10.320 1.00 0.00 N ATOM 148 CA PRO A 422 -4.283 17.221 9.756 1.00 0.00 C ATOM 149 C PRO A 422 -3.376 15.990 9.702 1.00 0.00 C ATOM 150 O PRO A 422 -3.812 14.879 10.002 1.00 0.00 O ATOM 151 CB PRO A 422 -4.742 17.682 8.383 1.00 0.00 C ATOM 152 CG PRO A 422 -3.886 18.891 8.040 1.00 0.00 C ATOM 153 CD PRO A 422 -3.194 19.347 9.314 1.00 0.00 C ATOM 0 HA PRO A 422 -5.134 16.910 10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.615 16.892 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.800 17.943 8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.151 18.635 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.502 19.692 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.112 19.380 9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.512 20.350 9.600 1.00 0.00 H new ATOM 161 N CYS A 423 -2.131 16.228 9.316 1.00 0.00 N ATOM 162 CA CYS A 423 -1.159 15.153 9.217 1.00 0.00 C ATOM 163 C CYS A 423 -1.249 14.306 10.488 1.00 0.00 C ATOM 164 O CYS A 423 -0.854 13.141 10.492 1.00 0.00 O ATOM 165 CB CYS A 423 0.256 15.689 8.988 1.00 0.00 C ATOM 166 SG CYS A 423 0.580 16.298 7.293 1.00 0.00 S ATOM 0 H CYS A 423 -1.773 17.150 9.068 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.386 14.532 8.350 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.441 16.500 9.692 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.971 14.899 9.218 1.00 0.00 H new ATOM 171 N GLU A 424 -1.770 14.926 11.538 1.00 0.00 N ATOM 172 CA GLU A 424 -1.918 14.244 12.812 1.00 0.00 C ATOM 173 C GLU A 424 -0.570 14.167 13.532 1.00 0.00 C ATOM 174 O GLU A 424 -0.353 14.857 14.527 1.00 0.00 O ATOM 175 CB GLU A 424 -2.517 12.849 12.621 1.00 0.00 C ATOM 176 CG GLU A 424 -3.757 12.902 11.727 1.00 0.00 C ATOM 177 CD GLU A 424 -4.720 11.758 12.053 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.945 10.878 11.209 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.240 11.804 13.234 1.00 0.00 O ATOM 0 H GLU A 424 -2.095 15.893 11.532 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.607 14.818 13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.773 12.187 12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.781 12.427 13.591 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.264 13.858 11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.458 12.843 10.681 1.00 0.00 H new ATOM 187 N HIS A 425 0.302 13.321 13.001 1.00 0.00 N ATOM 188 CA HIS A 425 1.622 13.146 13.581 1.00 0.00 C ATOM 189 C HIS A 425 2.590 12.644 12.507 1.00 0.00 C ATOM 190 O HIS A 425 3.725 13.113 12.423 1.00 0.00 O ATOM 191 CB HIS A 425 1.562 12.226 14.801 1.00 0.00 C ATOM 192 CG HIS A 425 0.461 12.569 15.775 1.00 0.00 C ATOM 193 ND1 HIS A 425 -0.875 12.298 15.743 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 0.688 13.275 16.945 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -1.435 12.809 16.832 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 -0.468 13.415 17.579 1.00 0.00 N flip ATOM 0 H HIS A 425 0.119 12.750 12.176 1.00 0.00 H new ATOM 0 HA HIS A 425 1.996 14.105 13.940 1.00 0.00 H new ATOM 0 HB2 HIS A 425 1.427 11.199 14.462 1.00 0.00 H new ATOM 0 HB3 HIS A 425 2.519 12.267 15.321 1.00 0.00 H new ATOM 0 HD2 HIS A 425 1.644 13.648 17.283 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -2.483 12.754 17.085 1.00 0.00 H new ATOM 0 HE2 HIS A 425 -0.609 13.892 18.469 1.00 0.00 H new ATOM 204 N ALA A 426 2.108 11.700 11.714 1.00 0.00 N ATOM 205 CA ALA A 426 2.917 11.130 10.650 1.00 0.00 C ATOM 206 C ALA A 426 2.640 11.882 9.346 1.00 0.00 C ATOM 207 O ALA A 426 1.852 11.428 8.519 1.00 0.00 O ATOM 208 CB ALA A 426 2.625 9.633 10.532 1.00 0.00 C ATOM 0 H ALA A 426 1.166 11.315 11.787 1.00 0.00 H new ATOM 0 HA ALA A 426 3.978 11.239 10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.232 9.206 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.865 9.140 11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.569 9.485 10.304 1.00 0.00 H new ATOM 214 N GLY A 427 3.304 13.020 9.206 1.00 0.00 N ATOM 215 CA GLY A 427 3.141 13.839 8.017 1.00 0.00 C ATOM 216 C GLY A 427 3.922 15.148 8.141 1.00 0.00 C ATOM 217 O GLY A 427 4.527 15.418 9.178 1.00 0.00 O ATOM 0 H GLY A 427 3.956 13.394 9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.485 13.288 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.084 14.055 7.862 1.00 0.00 H new ATOM 221 N LYS A 428 3.885 15.926 7.069 1.00 0.00 N ATOM 222 CA LYS A 428 4.583 17.201 7.045 1.00 0.00 C ATOM 223 C LYS A 428 3.560 18.339 7.064 1.00 0.00 C ATOM 224 O LYS A 428 2.712 18.431 6.176 1.00 0.00 O ATOM 225 CB LYS A 428 5.548 17.261 5.860 1.00 0.00 C ATOM 226 CG LYS A 428 6.677 18.259 6.121 1.00 0.00 C ATOM 227 CD LYS A 428 7.968 17.536 6.511 1.00 0.00 C ATOM 228 CE LYS A 428 8.952 17.502 5.340 1.00 0.00 C ATOM 229 NZ LYS A 428 9.502 16.139 5.164 1.00 0.00 N ATOM 0 H LYS A 428 3.383 15.698 6.211 1.00 0.00 H new ATOM 0 HA LYS A 428 5.201 17.313 7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.968 16.272 5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.006 17.548 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.848 18.861 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.385 18.944 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.427 18.038 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.738 16.519 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.450 17.819 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 428 9.763 18.208 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.168 16.134 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.999 15.851 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 8.726 15.474 4.972 1.00 0.00 H new ATOM 242 N CYS A 429 3.673 19.176 8.084 1.00 0.00 N ATOM 243 CA CYS A 429 2.768 20.305 8.230 1.00 0.00 C ATOM 244 C CYS A 429 3.562 21.590 7.994 1.00 0.00 C ATOM 245 O CYS A 429 4.463 21.916 8.764 1.00 0.00 O ATOM 246 CB CYS A 429 2.077 20.302 9.595 1.00 0.00 C ATOM 247 SG CYS A 429 0.249 20.378 9.529 1.00 0.00 S ATOM 0 H CYS A 429 4.377 19.096 8.818 1.00 0.00 H new ATOM 0 HA CYS A 429 1.969 20.233 7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.370 19.401 10.133 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.441 21.151 10.173 1.00 0.00 H new ATOM 252 N ILE A 430 3.197 22.285 6.926 1.00 0.00 N ATOM 253 CA ILE A 430 3.865 23.529 6.580 1.00 0.00 C ATOM 254 C ILE A 430 2.861 24.682 6.662 1.00 0.00 C ATOM 255 O ILE A 430 1.660 24.454 6.800 1.00 0.00 O ATOM 256 CB ILE A 430 4.551 23.407 5.218 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.182 22.089 4.533 1.00 0.00 C ATOM 258 CG2 ILE A 430 6.065 23.580 5.349 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.775 20.896 5.285 1.00 0.00 C ATOM 0 H ILE A 430 2.448 22.011 6.290 1.00 0.00 H new ATOM 0 HA ILE A 430 4.660 23.746 7.294 1.00 0.00 H new ATOM 0 HB ILE A 430 4.189 24.213 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 430 3.097 21.991 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.547 22.094 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.528 23.489 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.284 24.564 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.463 22.811 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.498 19.972 4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.861 20.985 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.389 20.880 6.304 1.00 0.00 H new ATOM 271 N ASN A 431 3.392 25.892 6.575 1.00 0.00 N ATOM 272 CA ASN A 431 2.557 27.080 6.638 1.00 0.00 C ATOM 273 C ASN A 431 2.464 27.707 5.245 1.00 0.00 C ATOM 274 O ASN A 431 3.464 27.803 4.535 1.00 0.00 O ATOM 275 CB ASN A 431 3.153 28.122 7.586 1.00 0.00 C ATOM 276 CG ASN A 431 2.420 29.458 7.464 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.352 29.559 6.883 1.00 0.00 O ATOM 278 ND2 ASN A 431 3.050 30.477 8.041 1.00 0.00 N ATOM 0 H ASN A 431 4.389 26.076 6.462 1.00 0.00 H new ATOM 0 HA ASN A 431 1.573 26.782 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 431 3.091 27.762 8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 431 4.210 28.261 7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 431 2.641 31.411 8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.942 30.325 8.512 1.00 0.00 H new ATOM 285 N THR A 432 1.254 28.118 4.895 1.00 0.00 N ATOM 286 CA THR A 432 1.018 28.733 3.600 1.00 0.00 C ATOM 287 C THR A 432 0.303 30.076 3.771 1.00 0.00 C ATOM 288 O THR A 432 -0.185 30.390 4.855 1.00 0.00 O ATOM 289 CB THR A 432 0.242 27.736 2.738 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.229 26.765 3.668 1.00 0.00 O ATOM 291 CG2 THR A 432 1.152 26.943 1.798 1.00 0.00 C ATOM 0 H THR A 432 0.427 28.037 5.486 1.00 0.00 H new ATOM 0 HA THR A 432 1.955 28.962 3.093 1.00 0.00 H new ATOM 0 HB THR A 432 -0.508 28.269 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 432 -0.908 26.203 3.239 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.551 26.250 1.209 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.673 27.630 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.881 26.384 2.384 1.00 0.00 H new ATOM 299 N LEU A 433 0.263 30.831 2.682 1.00 0.00 N ATOM 300 CA LEU A 433 -0.385 32.131 2.697 1.00 0.00 C ATOM 301 C LEU A 433 -1.903 31.940 2.718 1.00 0.00 C ATOM 302 O LEU A 433 -2.460 31.275 1.845 1.00 0.00 O ATOM 303 CB LEU A 433 0.111 32.990 1.532 1.00 0.00 C ATOM 304 CG LEU A 433 1.200 34.011 1.866 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.844 34.563 0.594 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.651 35.123 2.762 1.00 0.00 C ATOM 0 H LEU A 433 0.669 30.567 1.784 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.120 32.678 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 433 0.489 32.327 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -0.742 33.523 1.111 1.00 0.00 H new ATOM 0 HG LEU A 433 1.984 33.503 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 433 2.614 35.286 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 433 2.293 33.746 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 433 1.084 35.051 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 433 1.445 35.836 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -0.163 35.635 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 433 0.279 34.691 3.691 1.00 0.00 H new ATOM 318 N GLY A 434 -2.529 32.535 3.723 1.00 0.00 N ATOM 319 CA GLY A 434 -3.971 32.439 3.868 1.00 0.00 C ATOM 320 C GLY A 434 -4.367 31.122 4.539 1.00 0.00 C ATOM 321 O GLY A 434 -5.207 31.109 5.438 1.00 0.00 O ATOM 0 H GLY A 434 -2.063 33.085 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -4.337 33.278 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.444 32.509 2.889 1.00 0.00 H new ATOM 325 N SER A 435 -3.746 30.048 4.077 1.00 0.00 N ATOM 326 CA SER A 435 -4.023 28.730 4.621 1.00 0.00 C ATOM 327 C SER A 435 -2.712 27.997 4.913 1.00 0.00 C ATOM 328 O SER A 435 -1.636 28.479 4.561 1.00 0.00 O ATOM 329 CB SER A 435 -4.887 27.909 3.662 1.00 0.00 C ATOM 330 OG SER A 435 -5.989 28.662 3.158 1.00 0.00 O ATOM 0 H SER A 435 -3.051 30.063 3.331 1.00 0.00 H new ATOM 0 HA SER A 435 -4.577 28.854 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.275 27.561 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.258 27.023 4.177 1.00 0.00 H new ATOM 0 HG SER A 435 -6.515 28.104 2.548 1.00 0.00 H new ATOM 336 N PHE A 436 -2.845 26.846 5.553 1.00 0.00 N ATOM 337 CA PHE A 436 -1.684 26.042 5.897 1.00 0.00 C ATOM 338 C PHE A 436 -1.580 24.813 4.991 1.00 0.00 C ATOM 339 O PHE A 436 -2.595 24.241 4.597 1.00 0.00 O ATOM 340 CB PHE A 436 -1.872 25.579 7.343 1.00 0.00 C ATOM 341 CG PHE A 436 -2.914 24.472 7.512 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.587 23.182 7.233 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.168 24.779 7.940 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.555 22.155 7.391 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.135 23.752 8.097 1.00 0.00 C ATOM 346 CZ PHE A 436 -4.809 22.462 7.819 1.00 0.00 C ATOM 0 H PHE A 436 -3.739 26.450 5.843 1.00 0.00 H new ATOM 0 HA PHE A 436 -0.775 26.630 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -0.915 25.225 7.727 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.164 26.434 7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.592 22.939 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -4.428 25.804 8.160 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.295 21.130 7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.131 23.996 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.545 21.681 7.938 1.00 0.00 H new ATOM 356 N GLU A 437 -0.344 24.445 4.686 1.00 0.00 N ATOM 357 CA GLU A 437 -0.095 23.295 3.834 1.00 0.00 C ATOM 358 C GLU A 437 0.469 22.136 4.658 1.00 0.00 C ATOM 359 O GLU A 437 1.256 22.350 5.581 1.00 0.00 O ATOM 360 CB GLU A 437 0.848 23.660 2.683 1.00 0.00 C ATOM 361 CG GLU A 437 1.472 22.406 2.069 1.00 0.00 C ATOM 362 CD GLU A 437 1.706 22.588 0.568 1.00 0.00 C ATOM 363 OE1 GLU A 437 0.835 22.237 -0.241 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.838 23.119 0.253 1.00 0.00 O ATOM 0 H GLU A 437 0.495 24.923 5.014 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.042 22.978 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.299 24.209 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.634 24.321 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.418 22.187 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.818 21.550 2.238 1.00 0.00 H new ATOM 372 N CYS A 438 0.047 20.934 4.296 1.00 0.00 N ATOM 373 CA CYS A 438 0.500 19.741 4.990 1.00 0.00 C ATOM 374 C CYS A 438 0.677 18.624 3.960 1.00 0.00 C ATOM 375 O CYS A 438 -0.254 18.295 3.228 1.00 0.00 O ATOM 376 CB CYS A 438 -0.462 19.337 6.109 1.00 0.00 C ATOM 377 SG CYS A 438 0.173 18.044 7.238 1.00 0.00 S ATOM 0 H CYS A 438 -0.604 20.760 3.530 1.00 0.00 H new ATOM 0 HA CYS A 438 1.455 19.941 5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.708 20.223 6.695 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.391 18.984 5.661 1.00 0.00 H new ATOM 382 N GLN A 439 1.882 18.070 3.936 1.00 0.00 N ATOM 383 CA GLN A 439 2.194 16.998 3.007 1.00 0.00 C ATOM 384 C GLN A 439 1.703 15.658 3.560 1.00 0.00 C ATOM 385 O GLN A 439 1.551 15.500 4.771 1.00 0.00 O ATOM 386 CB GLN A 439 3.694 16.950 2.707 1.00 0.00 C ATOM 387 CG GLN A 439 4.263 18.359 2.535 1.00 0.00 C ATOM 388 CD GLN A 439 5.566 18.330 1.734 1.00 0.00 C ATOM 389 OE1 GLN A 439 5.627 17.849 0.615 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.603 18.869 2.370 1.00 0.00 N ATOM 0 H GLN A 439 2.653 18.344 4.545 1.00 0.00 H new ATOM 0 HA GLN A 439 1.676 17.195 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.215 16.440 3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.869 16.370 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.534 18.990 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.443 18.804 3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.483 19.254 3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.518 18.897 1.921 1.00 0.00 H new ATOM 399 N CYS A 440 1.466 14.727 2.646 1.00 0.00 N ATOM 400 CA CYS A 440 0.995 13.406 3.026 1.00 0.00 C ATOM 401 C CYS A 440 2.213 12.531 3.328 1.00 0.00 C ATOM 402 O CYS A 440 3.309 12.792 2.833 1.00 0.00 O ATOM 403 CB CYS A 440 0.103 12.792 1.948 1.00 0.00 C ATOM 404 SG CYS A 440 0.343 13.479 0.269 1.00 0.00 S ATOM 0 H CYS A 440 1.592 14.862 1.643 1.00 0.00 H new ATOM 0 HA CYS A 440 0.373 13.481 3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.284 11.718 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -0.939 12.931 2.236 1.00 0.00 H new ATOM 409 N LEU A 441 1.981 11.509 4.139 1.00 0.00 N ATOM 410 CA LEU A 441 3.046 10.593 4.512 1.00 0.00 C ATOM 411 C LEU A 441 2.849 9.264 3.778 1.00 0.00 C ATOM 412 O LEU A 441 1.774 8.671 3.839 1.00 0.00 O ATOM 413 CB LEU A 441 3.121 10.450 6.033 1.00 0.00 C ATOM 414 CG LEU A 441 4.528 10.427 6.636 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.173 9.049 6.467 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.394 11.542 6.047 1.00 0.00 C ATOM 0 H LEU A 441 1.071 11.295 4.548 1.00 0.00 H new ATOM 0 HA LEU A 441 4.014 10.988 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.568 11.274 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.610 9.530 6.317 1.00 0.00 H new ATOM 0 HG LEU A 441 4.446 10.615 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.172 9.059 6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.564 8.298 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.243 8.808 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.388 11.504 6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.474 11.409 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.938 12.509 6.261 1.00 0.00 H new ATOM 428 N GLN A 442 3.905 8.835 3.103 1.00 0.00 N ATOM 429 CA GLN A 442 3.862 7.589 2.360 1.00 0.00 C ATOM 430 C GLN A 442 2.535 7.463 1.607 1.00 0.00 C ATOM 431 O GLN A 442 2.394 7.980 0.499 1.00 0.00 O ATOM 432 CB GLN A 442 4.083 6.390 3.285 1.00 0.00 C ATOM 433 CG GLN A 442 5.535 5.913 3.228 1.00 0.00 C ATOM 434 CD GLN A 442 6.161 5.894 4.625 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.401 7.103 5.125 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.410 4.852 5.207 1.00 0.00 N flip ATOM 0 H GLN A 442 4.796 9.329 3.056 1.00 0.00 H new ATOM 0 HA GLN A 442 4.672 7.597 1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.827 6.664 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.418 5.576 2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.577 4.914 2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 442 6.112 6.569 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.200 3.958 4.764 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.829 4.875 6.137 1.00 0.00 H new ATOM 445 N GLY A 443 1.597 6.775 2.239 1.00 0.00 N ATOM 446 CA GLY A 443 0.286 6.577 1.644 1.00 0.00 C ATOM 447 C GLY A 443 -0.816 7.146 2.540 1.00 0.00 C ATOM 448 O GLY A 443 -1.549 6.395 3.182 1.00 0.00 O ATOM 0 H GLY A 443 1.718 6.347 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.250 7.059 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.114 5.513 1.481 1.00 0.00 H new ATOM 452 N TYR A 444 -0.898 8.469 2.554 1.00 0.00 N ATOM 453 CA TYR A 444 -1.897 9.147 3.361 1.00 0.00 C ATOM 454 C TYR A 444 -3.061 9.636 2.496 1.00 0.00 C ATOM 455 O TYR A 444 -2.927 9.755 1.279 1.00 0.00 O ATOM 456 CB TYR A 444 -1.192 10.357 3.977 1.00 0.00 C ATOM 457 CG TYR A 444 -0.825 10.179 5.451 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.162 9.040 5.864 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.154 11.157 6.367 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.184 8.874 7.253 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.807 10.989 7.755 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.155 9.856 8.129 1.00 0.00 C ATOM 463 OH TYR A 444 0.172 9.698 9.440 1.00 0.00 O ATOM 0 H TYR A 444 -0.289 9.088 2.019 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.304 8.472 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.285 10.564 3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.837 11.230 3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.097 8.275 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.671 12.048 6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.702 7.988 7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.059 11.746 8.483 1.00 0.00 H new ATOM 0 HH TYR A 444 0.464 10.557 9.810 1.00 0.00 H new ATOM 473 N THR A 445 -4.177 9.906 3.159 1.00 0.00 N ATOM 474 CA THR A 445 -5.362 10.379 2.464 1.00 0.00 C ATOM 475 C THR A 445 -5.526 11.887 2.657 1.00 0.00 C ATOM 476 O THR A 445 -4.631 12.660 2.321 1.00 0.00 O ATOM 477 CB THR A 445 -6.560 9.569 2.966 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.689 10.237 2.412 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.757 9.693 4.479 1.00 0.00 C ATOM 0 H THR A 445 -4.285 9.806 4.168 1.00 0.00 H new ATOM 0 HA THR A 445 -5.276 10.227 1.388 1.00 0.00 H new ATOM 0 HB THR A 445 -6.425 8.520 2.702 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.509 9.776 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.619 9.100 4.783 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.867 9.330 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.925 10.738 4.740 1.00 0.00 H new ATOM 487 N GLY A 446 -6.678 12.262 3.197 1.00 0.00 N ATOM 488 CA GLY A 446 -6.971 13.664 3.437 1.00 0.00 C ATOM 489 C GLY A 446 -7.404 14.363 2.148 1.00 0.00 C ATOM 490 O GLY A 446 -7.063 13.920 1.054 1.00 0.00 O ATOM 0 H GLY A 446 -7.419 11.618 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.759 13.751 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.089 14.159 3.844 1.00 0.00 H new ATOM 494 N PRO A 447 -8.170 15.473 2.325 1.00 0.00 N ATOM 495 CA PRO A 447 -8.654 16.238 1.189 1.00 0.00 C ATOM 496 C PRO A 447 -7.530 17.071 0.569 1.00 0.00 C ATOM 497 O PRO A 447 -7.600 17.441 -0.601 1.00 0.00 O ATOM 498 CB PRO A 447 -9.788 17.087 1.740 1.00 0.00 C ATOM 499 CG PRO A 447 -9.595 17.113 3.247 1.00 0.00 C ATOM 500 CD PRO A 447 -8.595 16.027 3.608 1.00 0.00 C ATOM 0 HA PRO A 447 -9.008 15.604 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.759 18.095 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.757 16.662 1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.231 18.089 3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.544 16.943 3.756 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.750 16.435 4.162 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -9.050 15.263 4.238 1.00 0.00 H new ATOM 508 N ARG A 448 -6.520 17.341 1.384 1.00 0.00 N ATOM 509 CA ARG A 448 -5.382 18.124 0.931 1.00 0.00 C ATOM 510 C ARG A 448 -4.116 17.266 0.929 1.00 0.00 C ATOM 511 O ARG A 448 -3.046 17.733 0.539 1.00 0.00 O ATOM 512 CB ARG A 448 -5.162 19.345 1.826 1.00 0.00 C ATOM 513 CG ARG A 448 -6.462 20.134 2.008 1.00 0.00 C ATOM 514 CD ARG A 448 -6.745 21.011 0.787 1.00 0.00 C ATOM 515 NE ARG A 448 -5.637 21.973 0.588 1.00 0.00 N ATOM 516 CZ ARG A 448 -5.535 23.154 1.232 1.00 0.00 C ATOM 517 NH1 ARG A 448 -6.474 23.530 2.126 1.00 0.00 N ATOM 518 NH2 ARG A 448 -4.503 23.936 0.976 1.00 0.00 N ATOM 0 H ARG A 448 -6.466 17.032 2.354 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.596 18.465 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.788 19.025 2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.400 19.989 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -7.291 19.444 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.392 20.757 2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -6.861 20.388 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -7.684 21.548 0.924 1.00 0.00 H new ATOM 0 HE ARG A 448 -4.905 21.727 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -7.268 22.919 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -6.389 24.425 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -3.797 23.644 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -4.411 24.832 1.454 1.00 0.00 H new ATOM 531 N CYS A 449 -4.277 16.028 1.370 1.00 0.00 N ATOM 532 CA CYS A 449 -3.160 15.101 1.424 1.00 0.00 C ATOM 533 C CYS A 449 -2.426 15.309 2.751 1.00 0.00 C ATOM 534 O CYS A 449 -1.249 15.668 2.764 1.00 0.00 O ATOM 535 CB CYS A 449 -2.226 15.268 0.223 1.00 0.00 C ATOM 536 SG CYS A 449 -1.516 13.710 -0.420 1.00 0.00 S ATOM 0 H CYS A 449 -5.165 15.645 1.694 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.532 14.078 1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.775 15.759 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.410 15.933 0.505 1.00 0.00 H new ATOM 541 N GLU A 450 -3.152 15.078 3.835 1.00 0.00 N ATOM 542 CA GLU A 450 -2.586 15.236 5.162 1.00 0.00 C ATOM 543 C GLU A 450 -3.329 14.351 6.166 1.00 0.00 C ATOM 544 O GLU A 450 -3.293 14.606 7.370 1.00 0.00 O ATOM 545 CB GLU A 450 -2.611 16.701 5.599 1.00 0.00 C ATOM 546 CG GLU A 450 -3.473 17.541 4.652 1.00 0.00 C ATOM 547 CD GLU A 450 -4.960 17.357 4.956 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.470 17.930 5.931 1.00 0.00 O ATOM 549 OE2 GLU A 450 -5.593 16.586 4.138 1.00 0.00 O ATOM 0 H GLU A 450 -4.128 14.782 3.820 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.544 14.919 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -3.001 16.775 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.595 17.096 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -3.206 18.593 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -3.271 17.254 3.620 1.00 0.00 H new ATOM 557 N ILE A 451 -3.986 13.331 5.635 1.00 0.00 N ATOM 558 CA ILE A 451 -4.737 12.408 6.469 1.00 0.00 C ATOM 559 C ILE A 451 -4.270 10.979 6.188 1.00 0.00 C ATOM 560 O ILE A 451 -3.937 10.642 5.052 1.00 0.00 O ATOM 561 CB ILE A 451 -6.241 12.614 6.275 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.712 13.896 6.964 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.027 11.388 6.744 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.360 15.129 6.129 1.00 0.00 C ATOM 0 H ILE A 451 -4.014 13.123 4.637 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.545 12.604 7.524 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.435 12.732 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.790 13.854 7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.250 13.975 7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.093 11.560 6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.717 10.515 6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.832 11.214 7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.706 16.027 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.280 15.181 5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.843 15.059 5.155 1.00 0.00 H new ATOM 576 N ASP A 452 -4.260 10.176 7.242 1.00 0.00 N ATOM 577 CA ASP A 452 -3.841 8.789 7.123 1.00 0.00 C ATOM 578 C ASP A 452 -5.073 7.900 6.960 1.00 0.00 C ATOM 579 O ASP A 452 -5.969 7.912 7.804 1.00 0.00 O ATOM 580 CB ASP A 452 -3.088 8.333 8.374 1.00 0.00 C ATOM 581 CG ASP A 452 -3.467 6.941 8.883 1.00 0.00 C ATOM 582 OD1 ASP A 452 -3.932 6.781 10.022 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.264 5.980 8.046 1.00 0.00 O ATOM 0 H ASP A 452 -4.535 10.459 8.182 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.184 8.708 6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.019 8.348 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.265 9.056 9.170 1.00 0.00 H new ATOM 589 N VAL A 453 -5.081 7.147 5.870 1.00 0.00 N ATOM 590 CA VAL A 453 -6.189 6.252 5.586 1.00 0.00 C ATOM 591 C VAL A 453 -5.810 4.828 6.001 1.00 0.00 C ATOM 592 O VAL A 453 -4.630 4.518 6.158 1.00 0.00 O ATOM 593 CB VAL A 453 -6.583 6.358 4.111 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.346 6.486 3.220 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.446 5.168 3.686 1.00 0.00 C ATOM 0 H VAL A 453 -4.337 7.139 5.172 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.067 6.537 6.166 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.178 7.263 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.655 6.560 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.789 7.381 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.712 5.609 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.712 5.269 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.888 4.243 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.354 5.143 4.289 1.00 0.00 H new ATOM 605 N ASN A 454 -6.833 4.003 6.168 1.00 0.00 N ATOM 606 CA ASN A 454 -6.622 2.621 6.564 1.00 0.00 C ATOM 607 C ASN A 454 -6.741 1.720 5.332 1.00 0.00 C ATOM 608 O ASN A 454 -7.834 1.266 4.995 1.00 0.00 O ATOM 609 CB ASN A 454 -7.672 2.172 7.582 1.00 0.00 C ATOM 610 CG ASN A 454 -7.436 0.722 8.009 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.652 -0.005 7.422 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.157 0.344 9.060 1.00 0.00 N ATOM 0 H ASN A 454 -7.810 4.265 6.036 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.631 2.546 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.638 2.822 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.668 2.270 7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.072 -0.606 9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.795 1.004 9.505 1.00 0.00 H new ATOM 619 N GLU A 455 -5.602 1.487 4.697 1.00 0.00 N ATOM 620 CA GLU A 455 -5.566 0.648 3.511 1.00 0.00 C ATOM 621 C GLU A 455 -6.004 -0.777 3.854 1.00 0.00 C ATOM 622 O GLU A 455 -6.256 -1.586 2.963 1.00 0.00 O ATOM 623 CB GLU A 455 -4.174 0.655 2.877 1.00 0.00 C ATOM 624 CG GLU A 455 -3.082 0.651 3.949 1.00 0.00 C ATOM 625 CD GLU A 455 -2.568 2.067 4.214 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.391 2.244 4.564 1.00 0.00 O ATOM 627 OE2 GLU A 455 -3.436 3.005 4.041 1.00 0.00 O ATOM 0 H GLU A 455 -4.698 1.864 4.981 1.00 0.00 H new ATOM 0 HA GLU A 455 -6.265 1.056 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -4.060 -0.217 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -4.064 1.535 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.475 0.224 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -2.257 0.015 3.630 1.00 0.00 H new ATOM 635 N CYS A 456 -6.083 -1.042 5.150 1.00 0.00 N ATOM 636 CA CYS A 456 -6.487 -2.354 5.624 1.00 0.00 C ATOM 637 C CYS A 456 -8.010 -2.457 5.513 1.00 0.00 C ATOM 638 O CYS A 456 -8.592 -3.487 5.850 1.00 0.00 O ATOM 639 CB CYS A 456 -5.999 -2.617 7.050 1.00 0.00 C ATOM 640 SG CYS A 456 -7.328 -2.874 8.281 1.00 0.00 S ATOM 0 H CYS A 456 -5.874 -0.369 5.887 1.00 0.00 H new ATOM 0 HA CYS A 456 -6.026 -3.124 5.006 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.355 -3.497 7.042 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -5.385 -1.775 7.370 1.00 0.00 H new ATOM 645 N VAL A 457 -8.612 -1.375 5.040 1.00 0.00 N ATOM 646 CA VAL A 457 -10.055 -1.331 4.883 1.00 0.00 C ATOM 647 C VAL A 457 -10.447 -2.084 3.610 1.00 0.00 C ATOM 648 O VAL A 457 -11.532 -2.659 3.535 1.00 0.00 O ATOM 649 CB VAL A 457 -10.537 0.122 4.891 1.00 0.00 C ATOM 650 CG1 VAL A 457 -10.145 0.823 6.193 1.00 0.00 C ATOM 651 CG2 VAL A 457 -10.006 0.883 3.676 1.00 0.00 C ATOM 0 H VAL A 457 -8.126 -0.523 4.761 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.547 -1.828 5.719 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.625 0.114 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.499 1.854 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.596 0.301 7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -9.060 0.815 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.363 1.912 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.916 0.877 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.359 0.403 2.763 1.00 0.00 H new ATOM 661 N SER A 458 -9.544 -2.056 2.641 1.00 0.00 N ATOM 662 CA SER A 458 -9.782 -2.730 1.376 1.00 0.00 C ATOM 663 C SER A 458 -8.807 -3.898 1.213 1.00 0.00 C ATOM 664 O SER A 458 -8.916 -4.676 0.267 1.00 0.00 O ATOM 665 CB SER A 458 -9.648 -1.758 0.202 1.00 0.00 C ATOM 666 OG SER A 458 -10.888 -1.559 -0.471 1.00 0.00 O ATOM 0 H SER A 458 -8.646 -1.577 2.706 1.00 0.00 H new ATOM 0 HA SER A 458 -10.802 -3.115 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 458 -9.275 -0.800 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.910 -2.141 -0.503 1.00 0.00 H new ATOM 0 HG SER A 458 -10.761 -0.931 -1.213 1.00 0.00 H new ATOM 672 N ASN A 459 -7.875 -3.984 2.150 1.00 0.00 N ATOM 673 CA ASN A 459 -6.881 -5.044 2.123 1.00 0.00 C ATOM 674 C ASN A 459 -6.526 -5.442 3.557 1.00 0.00 C ATOM 675 O ASN A 459 -5.368 -5.356 3.960 1.00 0.00 O ATOM 676 CB ASN A 459 -5.598 -4.578 1.431 1.00 0.00 C ATOM 677 CG ASN A 459 -5.914 -3.629 0.272 1.00 0.00 C ATOM 678 OD1 ASN A 459 -5.704 -3.935 -0.890 1.00 0.00 O ATOM 679 ND2 ASN A 459 -6.429 -2.463 0.652 1.00 0.00 N ATOM 0 H ASN A 459 -7.787 -3.337 2.933 1.00 0.00 H new ATOM 0 HA ASN A 459 -7.302 -5.887 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.954 -4.075 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -5.047 -5.442 1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -6.674 -1.761 -0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -6.579 -2.270 1.642 1.00 0.00 H new ATOM 686 N PRO A 460 -7.573 -5.881 4.307 1.00 0.00 N ATOM 687 CA PRO A 460 -7.383 -6.292 5.687 1.00 0.00 C ATOM 688 C PRO A 460 -6.710 -7.665 5.763 1.00 0.00 C ATOM 689 O PRO A 460 -6.387 -8.143 6.849 1.00 0.00 O ATOM 690 CB PRO A 460 -8.775 -6.281 6.296 1.00 0.00 C ATOM 691 CG PRO A 460 -9.743 -6.315 5.124 1.00 0.00 C ATOM 692 CD PRO A 460 -8.959 -5.994 3.863 1.00 0.00 C ATOM 0 HA PRO A 460 -6.716 -5.626 6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -8.922 -7.141 6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -8.928 -5.389 6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.211 -7.296 5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.545 -5.591 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -9.073 -6.779 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.305 -5.067 3.407 1.00 0.00 H new ATOM 700 N CYS A 461 -6.516 -8.257 4.594 1.00 0.00 N ATOM 701 CA CYS A 461 -5.886 -9.564 4.514 1.00 0.00 C ATOM 702 C CYS A 461 -6.878 -10.608 5.031 1.00 0.00 C ATOM 703 O CYS A 461 -6.485 -11.710 5.411 1.00 0.00 O ATOM 704 CB CYS A 461 -4.564 -9.604 5.281 1.00 0.00 C ATOM 705 SG CYS A 461 -3.238 -8.554 4.582 1.00 0.00 S ATOM 0 H CYS A 461 -6.784 -7.856 3.695 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.634 -9.785 3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.748 -9.295 6.310 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.211 -10.635 5.316 1.00 0.00 H new ATOM 710 N GLN A 462 -8.147 -10.225 5.029 1.00 0.00 N ATOM 711 CA GLN A 462 -9.199 -11.114 5.493 1.00 0.00 C ATOM 712 C GLN A 462 -9.232 -11.142 7.022 1.00 0.00 C ATOM 713 O GLN A 462 -8.764 -10.211 7.675 1.00 0.00 O ATOM 714 CB GLN A 462 -9.018 -12.522 4.922 1.00 0.00 C ATOM 715 CG GLN A 462 -10.351 -13.088 4.429 1.00 0.00 C ATOM 716 CD GLN A 462 -10.289 -14.613 4.312 1.00 0.00 C ATOM 717 OE1 GLN A 462 -9.231 -15.061 3.641 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -11.144 -15.333 4.799 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.470 -9.311 4.713 1.00 0.00 H new ATOM 0 HA GLN A 462 -10.155 -10.733 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -8.303 -12.496 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.601 -13.178 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -11.147 -12.804 5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -10.598 -12.655 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -11.931 -14.922 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -11.073 -16.346 4.704 1.00 0.00 H new ATOM 727 N ASN A 463 -9.791 -12.222 7.550 1.00 0.00 N ATOM 728 CA ASN A 463 -9.892 -12.383 8.990 1.00 0.00 C ATOM 729 C ASN A 463 -8.730 -13.248 9.484 1.00 0.00 C ATOM 730 O ASN A 463 -8.220 -13.039 10.583 1.00 0.00 O ATOM 731 CB ASN A 463 -11.198 -13.081 9.376 1.00 0.00 C ATOM 732 CG ASN A 463 -12.394 -12.432 8.674 1.00 0.00 C ATOM 733 OD1 ASN A 463 -13.022 -11.518 9.182 1.00 0.00 O ATOM 734 ND2 ASN A 463 -12.672 -12.955 7.483 1.00 0.00 N ATOM 0 H ASN A 463 -10.178 -12.993 7.006 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.865 -11.392 9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -11.143 -14.136 9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.335 -13.032 10.456 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -13.452 -12.591 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.105 -13.720 7.117 1.00 0.00 H new ATOM 741 N ASP A 464 -8.347 -14.201 8.649 1.00 0.00 N ATOM 742 CA ASP A 464 -7.256 -15.099 8.986 1.00 0.00 C ATOM 743 C ASP A 464 -6.009 -14.276 9.321 1.00 0.00 C ATOM 744 O ASP A 464 -5.141 -14.732 10.061 1.00 0.00 O ATOM 745 CB ASP A 464 -6.915 -16.019 7.813 1.00 0.00 C ATOM 746 CG ASP A 464 -7.176 -15.423 6.428 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.294 -15.506 5.897 1.00 0.00 O ATOM 748 OD2 ASP A 464 -6.160 -14.846 5.882 1.00 0.00 O ATOM 0 H ASP A 464 -8.773 -14.371 7.738 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.568 -15.704 9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -5.863 -16.295 7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -7.493 -16.938 7.911 1.00 0.00 H new ATOM 754 N ALA A 465 -5.963 -13.078 8.757 1.00 0.00 N ATOM 755 CA ALA A 465 -4.837 -12.188 8.985 1.00 0.00 C ATOM 756 C ALA A 465 -5.306 -10.979 9.794 1.00 0.00 C ATOM 757 O ALA A 465 -6.223 -10.269 9.383 1.00 0.00 O ATOM 758 CB ALA A 465 -4.222 -11.788 7.642 1.00 0.00 C ATOM 0 H ALA A 465 -6.686 -12.703 8.143 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.061 -12.690 9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.377 -11.120 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.879 -12.680 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.971 -11.278 7.036 1.00 0.00 H new ATOM 764 N THR A 466 -4.655 -10.779 10.932 1.00 0.00 N ATOM 765 CA THR A 466 -4.994 -9.667 11.803 1.00 0.00 C ATOM 766 C THR A 466 -4.580 -8.341 11.160 1.00 0.00 C ATOM 767 O THR A 466 -3.391 -8.051 11.039 1.00 0.00 O ATOM 768 CB THR A 466 -4.337 -9.914 13.163 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.104 -10.972 13.731 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.536 -8.747 14.131 1.00 0.00 C ATOM 0 H THR A 466 -3.895 -11.369 11.270 1.00 0.00 H new ATOM 0 HA THR A 466 -6.071 -9.597 11.954 1.00 0.00 H new ATOM 0 HB THR A 466 -3.270 -10.091 13.024 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.746 -11.198 14.615 1.00 0.00 H new ATOM 0 HG21 THR A 466 -4.050 -8.974 15.080 1.00 0.00 H new ATOM 0 HG22 THR A 466 -4.098 -7.844 13.707 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.602 -8.590 14.297 1.00 0.00 H new ATOM 778 N CYS A 467 -5.585 -7.571 10.767 1.00 0.00 N ATOM 779 CA CYS A 467 -5.341 -6.283 10.142 1.00 0.00 C ATOM 780 C CYS A 467 -4.563 -5.410 11.127 1.00 0.00 C ATOM 781 O CYS A 467 -4.742 -5.525 12.339 1.00 0.00 O ATOM 782 CB CYS A 467 -6.643 -5.617 9.692 1.00 0.00 C ATOM 783 SG CYS A 467 -6.675 -3.796 9.871 1.00 0.00 S ATOM 0 H CYS A 467 -6.570 -7.815 10.870 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.750 -6.421 9.237 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.821 -5.868 8.646 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.468 -6.039 10.266 1.00 0.00 H new ATOM 788 N LEU A 468 -3.718 -4.554 10.572 1.00 0.00 N ATOM 789 CA LEU A 468 -2.913 -3.661 11.387 1.00 0.00 C ATOM 790 C LEU A 468 -2.538 -2.427 10.565 1.00 0.00 C ATOM 791 O LEU A 468 -1.430 -2.336 10.042 1.00 0.00 O ATOM 792 CB LEU A 468 -1.706 -4.404 11.965 1.00 0.00 C ATOM 793 CG LEU A 468 -1.916 -5.069 13.326 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.593 -5.583 13.896 1.00 0.00 C ATOM 795 CD2 LEU A 468 -2.631 -4.124 14.294 1.00 0.00 C ATOM 0 H LEU A 468 -3.573 -4.460 9.567 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.485 -3.311 12.247 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.401 -5.170 11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.878 -3.700 12.051 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.563 -5.935 13.187 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.771 -6.051 14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.162 -6.315 13.213 1.00 0.00 H new ATOM 0 HD13 LEU A 468 0.099 -4.750 14.018 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -2.768 -4.622 15.254 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.032 -3.224 14.434 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.604 -3.852 13.885 1.00 0.00 H new ATOM 807 N ASP A 469 -3.486 -1.503 10.478 1.00 0.00 N ATOM 808 CA ASP A 469 -3.270 -0.278 9.730 1.00 0.00 C ATOM 809 C ASP A 469 -2.173 0.546 10.412 1.00 0.00 C ATOM 810 O ASP A 469 -2.251 0.818 11.609 1.00 0.00 O ATOM 811 CB ASP A 469 -4.541 0.573 9.687 1.00 0.00 C ATOM 812 CG ASP A 469 -4.370 1.961 9.065 1.00 0.00 C ATOM 813 OD1 ASP A 469 -5.108 2.902 9.391 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.418 2.056 8.199 1.00 0.00 O ATOM 0 H ASP A 469 -4.405 -1.580 10.914 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.983 -0.550 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.304 0.032 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.916 0.691 10.704 1.00 0.00 H new ATOM 820 N GLN A 470 -1.178 0.916 9.620 1.00 0.00 N ATOM 821 CA GLN A 470 -0.069 1.702 10.132 1.00 0.00 C ATOM 822 C GLN A 470 0.071 3.004 9.339 1.00 0.00 C ATOM 823 O GLN A 470 -0.689 3.249 8.404 1.00 0.00 O ATOM 824 CB GLN A 470 1.233 0.898 10.098 1.00 0.00 C ATOM 825 CG GLN A 470 1.553 0.316 11.478 1.00 0.00 C ATOM 826 CD GLN A 470 1.848 -1.182 11.384 1.00 0.00 C ATOM 827 OE1 GLN A 470 0.768 -1.953 11.469 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 2.983 -1.610 11.246 1.00 0.00 N flip ATOM 0 H GLN A 470 -1.117 0.686 8.628 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.277 1.954 11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.148 0.091 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 470 2.052 1.538 9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.412 0.834 11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.713 0.484 12.152 1.00 0.00 H new ATOM 0 HE21 GLN A 470 3.769 -0.962 11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.146 -2.615 11.189 1.00 0.00 H new ATOM 837 N ILE A 471 1.046 3.803 9.745 1.00 0.00 N ATOM 838 CA ILE A 471 1.295 5.074 9.084 1.00 0.00 C ATOM 839 C ILE A 471 1.696 4.818 7.629 1.00 0.00 C ATOM 840 O ILE A 471 2.654 4.095 7.364 1.00 0.00 O ATOM 841 CB ILE A 471 2.321 5.895 9.868 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.338 4.984 10.558 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.628 6.834 10.859 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.916 3.964 9.576 1.00 0.00 C ATOM 0 H ILE A 471 1.673 3.596 10.523 1.00 0.00 H new ATOM 0 HA ILE A 471 0.387 5.676 9.064 1.00 0.00 H new ATOM 0 HB ILE A 471 2.872 6.518 9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.144 5.586 10.979 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.861 4.464 11.389 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.379 7.406 11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.974 7.517 10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.037 6.248 11.563 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.636 3.329 10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.111 3.348 9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.414 4.487 8.759 1.00 0.00 H new ATOM 856 N GLY A 472 0.942 5.427 6.726 1.00 0.00 N ATOM 857 CA GLY A 472 1.207 5.275 5.305 1.00 0.00 C ATOM 858 C GLY A 472 1.628 3.840 4.977 1.00 0.00 C ATOM 859 O GLY A 472 2.360 3.607 4.016 1.00 0.00 O ATOM 0 H GLY A 472 0.148 6.026 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.315 5.536 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.993 5.967 5.002 1.00 0.00 H new ATOM 863 N GLU A 473 1.145 2.915 5.793 1.00 0.00 N ATOM 864 CA GLU A 473 1.461 1.509 5.602 1.00 0.00 C ATOM 865 C GLU A 473 0.548 0.637 6.467 1.00 0.00 C ATOM 866 O GLU A 473 0.013 1.100 7.473 1.00 0.00 O ATOM 867 CB GLU A 473 2.935 1.231 5.907 1.00 0.00 C ATOM 868 CG GLU A 473 3.224 1.388 7.401 1.00 0.00 C ATOM 869 CD GLU A 473 3.334 0.022 8.084 1.00 0.00 C ATOM 870 OE1 GLU A 473 2.584 -0.904 7.742 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.240 -0.058 8.999 1.00 0.00 O ATOM 0 H GLU A 473 0.537 3.111 6.588 1.00 0.00 H new ATOM 0 HA GLU A 473 1.287 1.257 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.192 0.221 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.563 1.916 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 473 4.151 1.944 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.431 1.970 7.870 1.00 0.00 H new ATOM 879 N PHE A 474 0.400 -0.611 6.042 1.00 0.00 N ATOM 880 CA PHE A 474 -0.439 -1.551 6.766 1.00 0.00 C ATOM 881 C PHE A 474 0.182 -2.949 6.769 1.00 0.00 C ATOM 882 O PHE A 474 0.864 -3.331 5.819 1.00 0.00 O ATOM 883 CB PHE A 474 -1.783 -1.604 6.038 1.00 0.00 C ATOM 884 CG PHE A 474 -2.011 -2.891 5.243 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.180 -4.072 5.897 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.044 -2.857 3.884 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.392 -5.267 5.161 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.254 -4.052 3.149 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.424 -5.232 3.801 1.00 0.00 C ATOM 0 H PHE A 474 0.846 -0.991 5.207 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.550 -1.230 7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.585 -1.494 6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.851 -0.754 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -2.153 -4.100 6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.910 -1.920 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.528 -6.204 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.279 -4.024 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.584 -6.141 3.240 1.00 0.00 H new ATOM 899 N GLN A 475 -0.077 -3.676 7.846 1.00 0.00 N ATOM 900 CA GLN A 475 0.448 -5.023 7.983 1.00 0.00 C ATOM 901 C GLN A 475 -0.648 -5.972 8.474 1.00 0.00 C ATOM 902 O GLN A 475 -1.603 -5.542 9.119 1.00 0.00 O ATOM 903 CB GLN A 475 1.656 -5.048 8.923 1.00 0.00 C ATOM 904 CG GLN A 475 1.216 -5.231 10.377 1.00 0.00 C ATOM 905 CD GLN A 475 0.888 -6.696 10.669 1.00 0.00 C ATOM 906 OE1 GLN A 475 -0.249 -7.068 10.912 1.00 0.00 O ATOM 907 NE2 GLN A 475 1.943 -7.504 10.632 1.00 0.00 N ATOM 0 H GLN A 475 -0.644 -3.357 8.632 1.00 0.00 H new ATOM 0 HA GLN A 475 0.784 -5.362 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.327 -5.858 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.218 -4.119 8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 475 2.007 -4.891 11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.342 -4.612 10.577 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.867 -7.127 10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 475 1.828 -8.501 10.813 1.00 0.00 H new ATOM 916 N CYS A 476 -0.473 -7.245 8.152 1.00 0.00 N ATOM 917 CA CYS A 476 -1.434 -8.257 8.552 1.00 0.00 C ATOM 918 C CYS A 476 -0.664 -9.499 9.006 1.00 0.00 C ATOM 919 O CYS A 476 0.157 -10.030 8.262 1.00 0.00 O ATOM 920 CB CYS A 476 -2.421 -8.578 7.426 1.00 0.00 C ATOM 921 SG CYS A 476 -1.646 -9.126 5.861 1.00 0.00 S ATOM 0 H CYS A 476 0.321 -7.598 7.618 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.037 -7.882 9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.103 -9.356 7.770 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.024 -7.692 7.226 1.00 0.00 H new ATOM 926 N ILE A 477 -0.956 -9.922 10.226 1.00 0.00 N ATOM 927 CA ILE A 477 -0.302 -11.092 10.789 1.00 0.00 C ATOM 928 C ILE A 477 -0.936 -12.356 10.208 1.00 0.00 C ATOM 929 O ILE A 477 -2.103 -12.647 10.469 1.00 0.00 O ATOM 930 CB ILE A 477 -0.329 -11.037 12.317 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.867 -10.251 12.860 1.00 0.00 C ATOM 932 CG2 ILE A 477 -0.408 -12.443 12.915 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.187 -10.851 12.368 1.00 0.00 C ATOM 0 H ILE A 477 -1.637 -9.476 10.841 1.00 0.00 H new ATOM 0 HA ILE A 477 0.752 -11.109 10.512 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.230 -10.505 12.623 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.796 -9.210 12.544 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.845 -10.255 13.950 1.00 0.00 H new ATOM 0 HG21 ILE A 477 -0.426 -12.375 14.003 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -1.316 -12.936 12.567 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.461 -13.021 12.602 1.00 0.00 H new ATOM 0 HD11 ILE A 477 3.021 -10.274 12.768 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.265 -11.884 12.706 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.216 -10.823 11.279 1.00 0.00 H new ATOM 945 N CYS A 478 -0.141 -13.075 9.430 1.00 0.00 N ATOM 946 CA CYS A 478 -0.610 -14.302 8.809 1.00 0.00 C ATOM 947 C CYS A 478 0.329 -15.438 9.220 1.00 0.00 C ATOM 948 O CYS A 478 1.262 -15.228 9.994 1.00 0.00 O ATOM 949 CB CYS A 478 -0.709 -14.165 7.288 1.00 0.00 C ATOM 950 SG CYS A 478 -1.136 -12.488 6.695 1.00 0.00 S ATOM 0 H CYS A 478 0.826 -12.831 9.215 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.620 -14.524 9.154 1.00 0.00 H new ATOM 0 HB2 CYS A 478 0.244 -14.459 6.848 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -1.459 -14.866 6.922 1.00 0.00 H new ATOM 955 N MET A 479 0.050 -16.618 8.683 1.00 0.00 N ATOM 956 CA MET A 479 0.857 -17.787 8.984 1.00 0.00 C ATOM 957 C MET A 479 2.096 -17.843 8.087 1.00 0.00 C ATOM 958 O MET A 479 2.060 -17.389 6.945 1.00 0.00 O ATOM 959 CB MET A 479 0.021 -19.051 8.781 1.00 0.00 C ATOM 960 CG MET A 479 -1.022 -19.205 9.890 1.00 0.00 C ATOM 961 SD MET A 479 -0.315 -20.076 11.277 1.00 0.00 S ATOM 962 CE MET A 479 -1.136 -19.236 12.621 1.00 0.00 C ATOM 0 H MET A 479 -0.724 -16.788 8.041 1.00 0.00 H new ATOM 0 HA MET A 479 1.185 -17.722 10.021 1.00 0.00 H new ATOM 0 HB2 MET A 479 -0.477 -19.010 7.812 1.00 0.00 H new ATOM 0 HB3 MET A 479 0.673 -19.924 8.767 1.00 0.00 H new ATOM 0 HG2 MET A 479 -1.374 -18.224 10.208 1.00 0.00 H new ATOM 0 HG3 MET A 479 -1.889 -19.748 9.513 1.00 0.00 H new ATOM 0 HE1 MET A 479 -0.807 -19.659 13.570 1.00 0.00 H new ATOM 0 HE2 MET A 479 -0.889 -18.175 12.592 1.00 0.00 H new ATOM 0 HE3 MET A 479 -2.214 -19.360 12.523 1.00 0.00 H new ATOM 972 N PRO A 480 3.190 -18.419 8.654 1.00 0.00 N ATOM 973 CA PRO A 480 4.436 -18.542 7.918 1.00 0.00 C ATOM 974 C PRO A 480 4.350 -19.655 6.873 1.00 0.00 C ATOM 975 O PRO A 480 5.177 -20.565 6.859 1.00 0.00 O ATOM 976 CB PRO A 480 5.495 -18.804 8.979 1.00 0.00 C ATOM 977 CG PRO A 480 4.743 -19.280 10.209 1.00 0.00 C ATOM 978 CD PRO A 480 3.268 -18.968 10.004 1.00 0.00 C ATOM 0 HA PRO A 480 4.676 -17.646 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 480 6.208 -19.556 8.642 1.00 0.00 H new ATOM 0 HB3 PRO A 480 6.064 -17.900 9.195 1.00 0.00 H new ATOM 0 HG2 PRO A 480 4.890 -20.350 10.356 1.00 0.00 H new ATOM 0 HG3 PRO A 480 5.118 -18.781 11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 480 2.656 -19.865 10.103 1.00 0.00 H new ATOM 0 HD3 PRO A 480 2.908 -18.253 10.744 1.00 0.00 H new ATOM 986 N GLY A 481 3.339 -19.545 6.021 1.00 0.00 N ATOM 987 CA GLY A 481 3.134 -20.531 4.974 1.00 0.00 C ATOM 988 C GLY A 481 1.998 -20.108 4.039 1.00 0.00 C ATOM 989 O GLY A 481 2.099 -20.268 2.823 1.00 0.00 O ATOM 0 H GLY A 481 2.655 -18.789 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 481 4.053 -20.656 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 481 2.902 -21.498 5.420 1.00 0.00 H new ATOM 993 N TYR A 482 0.945 -19.580 4.643 1.00 0.00 N ATOM 994 CA TYR A 482 -0.209 -19.133 3.880 1.00 0.00 C ATOM 995 C TYR A 482 -0.233 -17.609 3.762 1.00 0.00 C ATOM 996 O TYR A 482 -0.262 -16.905 4.770 1.00 0.00 O ATOM 997 CB TYR A 482 -1.438 -19.591 4.666 1.00 0.00 C ATOM 998 CG TYR A 482 -1.986 -20.951 4.229 1.00 0.00 C ATOM 999 CD1 TYR A 482 -1.410 -22.113 4.705 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -3.056 -21.017 3.361 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -1.926 -23.393 4.294 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -3.571 -22.298 2.950 1.00 0.00 C ATOM 1003 CZ TYR A 482 -2.982 -23.422 3.436 1.00 0.00 C ATOM 1004 OH TYR A 482 -3.467 -24.631 3.047 1.00 0.00 O ATOM 0 H TYR A 482 0.866 -19.451 5.652 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.182 -19.542 2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.183 -19.637 5.725 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.224 -18.843 4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -0.573 -22.061 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -3.507 -20.109 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -1.485 -24.309 4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -4.407 -22.364 2.270 1.00 0.00 H new ATOM 0 HH TYR A 482 -4.221 -24.499 2.435 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.218 -17.141 2.522 1.00 0.00 N ATOM 1015 CA GLU A 483 -0.237 -15.713 2.260 1.00 0.00 C ATOM 1016 C GLU A 483 -0.701 -15.442 0.826 1.00 0.00 C ATOM 1017 O GLU A 483 -0.937 -16.375 0.061 1.00 0.00 O ATOM 1018 CB GLU A 483 1.136 -15.089 2.519 1.00 0.00 C ATOM 1019 CG GLU A 483 1.006 -13.797 3.327 1.00 0.00 C ATOM 1020 CD GLU A 483 2.353 -13.074 3.423 1.00 0.00 C ATOM 1021 OE1 GLU A 483 2.828 -12.513 2.425 1.00 0.00 O ATOM 1022 OE2 GLU A 483 2.907 -13.107 4.587 1.00 0.00 O ATOM 0 H GLU A 483 -0.193 -17.727 1.687 1.00 0.00 H new ATOM 0 HA GLU A 483 -0.946 -15.248 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.766 -15.797 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.630 -14.881 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 483 0.270 -13.143 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 483 0.639 -14.025 4.328 1.00 0.00 H new ATOM 1030 N GLY A 484 -0.817 -14.161 0.508 1.00 0.00 N ATOM 1031 CA GLY A 484 -1.247 -13.757 -0.819 1.00 0.00 C ATOM 1032 C GLY A 484 -1.973 -12.410 -0.774 1.00 0.00 C ATOM 1033 O GLY A 484 -1.850 -11.668 0.200 1.00 0.00 O ATOM 0 H GLY A 484 -0.621 -13.390 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.383 -13.686 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.907 -14.516 -1.238 1.00 0.00 H new ATOM 1037 N VAL A 485 -2.714 -12.137 -1.838 1.00 0.00 N ATOM 1038 CA VAL A 485 -3.459 -10.893 -1.931 1.00 0.00 C ATOM 1039 C VAL A 485 -4.404 -10.779 -0.733 1.00 0.00 C ATOM 1040 O VAL A 485 -4.714 -9.675 -0.285 1.00 0.00 O ATOM 1041 CB VAL A 485 -4.186 -10.818 -3.275 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -5.624 -11.322 -3.149 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -4.151 -9.396 -3.838 1.00 0.00 C ATOM 0 H VAL A 485 -2.814 -12.756 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 485 -2.783 -10.039 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 485 -3.663 -11.469 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -6.118 -11.258 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -5.618 -12.359 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -6.162 -10.709 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -4.675 -9.370 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -4.638 -8.716 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -3.116 -9.087 -3.983 1.00 0.00 H new ATOM 1053 N HIS A 486 -4.837 -11.933 -0.248 1.00 0.00 N ATOM 1054 CA HIS A 486 -5.739 -11.977 0.889 1.00 0.00 C ATOM 1055 C HIS A 486 -4.992 -12.496 2.119 1.00 0.00 C ATOM 1056 O HIS A 486 -5.493 -12.404 3.238 1.00 0.00 O ATOM 1057 CB HIS A 486 -6.986 -12.800 0.561 1.00 0.00 C ATOM 1058 CG HIS A 486 -7.735 -12.322 -0.661 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -7.850 -11.077 -1.205 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -8.475 -13.171 -1.466 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -8.618 -11.160 -2.284 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -9.007 -12.456 -2.447 1.00 0.00 N flip ATOM 0 H HIS A 486 -4.579 -12.846 -0.623 1.00 0.00 H new ATOM 0 HA HIS A 486 -6.089 -10.971 1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -6.694 -13.839 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -7.659 -12.778 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -8.598 -14.234 -1.320 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -8.890 -10.336 -2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -9.603 -12.813 -3.193 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.807 -13.033 1.867 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.986 -13.568 2.942 1.00 0.00 C ATOM 1072 C CYS A 487 -3.545 -14.935 3.339 1.00 0.00 C ATOM 1073 O CYS A 487 -3.171 -15.486 4.373 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.919 -12.611 4.132 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.235 -12.308 4.781 1.00 0.00 S ATOM 0 H CYS A 487 -3.396 -13.109 0.937 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.959 -13.684 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.357 -11.657 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -3.537 -13.010 4.936 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.431 -15.444 2.495 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.046 -16.737 2.745 1.00 0.00 C ATOM 1082 C GLU A 488 -4.827 -17.668 1.551 1.00 0.00 C ATOM 1083 O GLU A 488 -5.638 -18.558 1.297 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.535 -16.586 3.057 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.359 -16.497 1.770 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.217 -17.749 1.580 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -7.951 -18.551 0.674 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.191 -17.875 2.418 1.00 0.00 O ATOM 0 H GLU A 488 -4.738 -14.984 1.638 1.00 0.00 H new ATOM 0 HA GLU A 488 -4.570 -17.181 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.873 -17.434 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.695 -15.691 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.999 -15.615 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -6.693 -16.375 0.916 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.729 -17.431 0.848 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.396 -18.236 -0.314 1.00 0.00 C ATOM 1098 C VAL A 489 -2.198 -19.130 0.019 1.00 0.00 C ATOM 1099 O VAL A 489 -1.185 -18.652 0.528 1.00 0.00 O ATOM 1100 CB VAL A 489 -3.150 -17.334 -1.525 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.615 -18.139 -2.710 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -4.420 -16.572 -1.907 1.00 0.00 C ATOM 0 H VAL A 489 -3.059 -16.692 1.061 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.228 -18.889 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 489 -2.391 -16.602 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.449 -17.473 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -1.674 -18.614 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -3.340 -18.904 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -4.218 -15.938 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -5.210 -17.282 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -4.739 -15.952 -1.069 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.353 -20.410 -0.284 1.00 0.00 N ATOM 1113 CA ASN A 490 -1.298 -21.374 -0.023 1.00 0.00 C ATOM 1114 C ASN A 490 -0.070 -21.018 -0.864 1.00 0.00 C ATOM 1115 O ASN A 490 -0.184 -20.771 -2.063 1.00 0.00 O ATOM 1116 CB ASN A 490 -1.738 -22.789 -0.406 1.00 0.00 C ATOM 1117 CG ASN A 490 -0.728 -23.829 0.085 1.00 0.00 C ATOM 1118 OD1 ASN A 490 0.397 -23.906 -0.380 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -1.191 -24.621 1.047 1.00 0.00 N ATOM 0 H ASN A 490 -3.194 -20.802 -0.708 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.068 -21.343 1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -2.718 -22.998 0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -1.842 -22.861 -1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -0.593 -25.347 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -2.144 -24.502 1.391 1.00 0.00 H new ATOM 1126 N THR A 491 1.077 -21.005 -0.201 1.00 0.00 N ATOM 1127 CA THR A 491 2.325 -20.683 -0.871 1.00 0.00 C ATOM 1128 C THR A 491 2.359 -21.311 -2.266 1.00 0.00 C ATOM 1129 O THR A 491 1.610 -22.245 -2.548 1.00 0.00 O ATOM 1130 CB THR A 491 3.476 -21.139 0.028 1.00 0.00 C ATOM 1131 OG1 THR A 491 4.644 -20.898 -0.754 1.00 0.00 O ATOM 1132 CG2 THR A 491 3.481 -22.652 0.249 1.00 0.00 C ATOM 0 H THR A 491 1.168 -21.212 0.794 1.00 0.00 H new ATOM 0 HA THR A 491 2.423 -19.609 -1.029 1.00 0.00 H new ATOM 0 HB THR A 491 3.408 -20.632 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 491 5.439 -21.164 -0.246 1.00 0.00 H new ATOM 0 HG21 THR A 491 4.317 -22.923 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 491 2.546 -22.954 0.721 1.00 0.00 H new ATOM 0 HG23 THR A 491 3.583 -23.159 -0.710 1.00 0.00 H new ATOM 1140 N ASP A 492 3.234 -20.773 -3.102 1.00 0.00 N ATOM 1141 CA ASP A 492 3.375 -21.268 -4.460 1.00 0.00 C ATOM 1142 C ASP A 492 4.084 -22.624 -4.433 1.00 0.00 C ATOM 1143 O ASP A 492 4.594 -23.040 -3.394 1.00 0.00 O ATOM 1144 CB ASP A 492 4.213 -20.312 -5.311 1.00 0.00 C ATOM 1145 CG ASP A 492 4.356 -20.711 -6.782 1.00 0.00 C ATOM 1146 OD1 ASP A 492 3.383 -21.130 -7.428 1.00 0.00 O ATOM 1147 OD2 ASP A 492 5.542 -20.575 -7.271 1.00 0.00 O ATOM 0 H ASP A 492 3.853 -19.998 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 492 2.378 -21.355 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 492 3.766 -19.319 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 492 5.208 -20.236 -4.872 1.00 0.00 H new ATOM 1153 N GLU A 493 4.096 -23.273 -5.588 1.00 0.00 N ATOM 1154 CA GLU A 493 4.735 -24.573 -5.709 1.00 0.00 C ATOM 1155 C GLU A 493 5.346 -24.734 -7.102 1.00 0.00 C ATOM 1156 O GLU A 493 5.423 -25.845 -7.624 1.00 0.00 O ATOM 1157 CB GLU A 493 3.745 -25.700 -5.410 1.00 0.00 C ATOM 1158 CG GLU A 493 3.837 -26.137 -3.947 1.00 0.00 C ATOM 1159 CD GLU A 493 2.545 -25.811 -3.196 1.00 0.00 C ATOM 1160 OE1 GLU A 493 1.498 -26.417 -3.470 1.00 0.00 O ATOM 1161 OE2 GLU A 493 2.653 -24.893 -2.297 1.00 0.00 O ATOM 0 H GLU A 493 3.674 -22.923 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 493 5.536 -24.634 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 493 2.731 -25.366 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 493 3.949 -26.550 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 493 4.032 -27.208 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 493 4.678 -25.637 -3.466 1.00 0.00 H new ATOM 1169 N CYS A 494 5.767 -23.610 -7.663 1.00 0.00 N ATOM 1170 CA CYS A 494 6.370 -23.615 -8.986 1.00 0.00 C ATOM 1171 C CYS A 494 7.871 -23.366 -8.830 1.00 0.00 C ATOM 1172 O CYS A 494 8.664 -23.785 -9.672 1.00 0.00 O ATOM 1173 CB CYS A 494 5.715 -22.584 -9.909 1.00 0.00 C ATOM 1174 SG CYS A 494 4.071 -23.067 -10.553 1.00 0.00 S ATOM 0 H CYS A 494 5.703 -22.690 -7.227 1.00 0.00 H new ATOM 0 HA CYS A 494 6.210 -24.584 -9.458 1.00 0.00 H new ATOM 0 HB2 CYS A 494 5.616 -21.643 -9.367 1.00 0.00 H new ATOM 0 HB3 CYS A 494 6.380 -22.398 -10.752 1.00 0.00 H new ATOM 1179 N ALA A 495 8.218 -22.687 -7.746 1.00 0.00 N ATOM 1180 CA ALA A 495 9.611 -22.379 -7.468 1.00 0.00 C ATOM 1181 C ALA A 495 10.380 -23.680 -7.238 1.00 0.00 C ATOM 1182 O ALA A 495 11.610 -23.697 -7.290 1.00 0.00 O ATOM 1183 CB ALA A 495 9.696 -21.432 -6.271 1.00 0.00 C ATOM 0 H ALA A 495 7.558 -22.341 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 495 10.068 -21.872 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 495 10.741 -21.201 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 495 9.159 -20.511 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 495 9.249 -21.908 -5.398 1.00 0.00 H new ATOM 1189 N SER A 496 9.625 -24.741 -6.988 1.00 0.00 N ATOM 1190 CA SER A 496 10.221 -26.044 -6.750 1.00 0.00 C ATOM 1191 C SER A 496 9.470 -27.117 -7.542 1.00 0.00 C ATOM 1192 O SER A 496 9.000 -28.100 -6.971 1.00 0.00 O ATOM 1193 CB SER A 496 10.217 -26.388 -5.258 1.00 0.00 C ATOM 1194 OG SER A 496 11.294 -25.762 -4.565 1.00 0.00 O ATOM 0 H SER A 496 8.606 -24.724 -6.945 1.00 0.00 H new ATOM 0 HA SER A 496 11.257 -26.011 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 496 9.271 -26.076 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 496 10.285 -27.469 -5.134 1.00 0.00 H new ATOM 0 HG SER A 496 11.257 -26.004 -3.616 1.00 0.00 H new ATOM 1200 N SER A 497 9.379 -26.890 -8.844 1.00 0.00 N ATOM 1201 CA SER A 497 8.694 -27.823 -9.720 1.00 0.00 C ATOM 1202 C SER A 497 8.760 -27.329 -11.167 1.00 0.00 C ATOM 1203 O SER A 497 7.841 -26.666 -11.643 1.00 0.00 O ATOM 1204 CB SER A 497 7.237 -28.013 -9.292 1.00 0.00 C ATOM 1205 OG SER A 497 6.452 -26.851 -9.540 1.00 0.00 O ATOM 0 H SER A 497 9.769 -26.072 -9.313 1.00 0.00 H new ATOM 0 HA SER A 497 9.195 -28.788 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 497 6.809 -28.860 -9.828 1.00 0.00 H new ATOM 0 HB3 SER A 497 7.200 -28.256 -8.230 1.00 0.00 H new ATOM 0 HG SER A 497 5.751 -26.778 -8.859 1.00 0.00 H new ATOM 1211 N PRO A 498 9.886 -27.683 -11.843 1.00 0.00 N ATOM 1212 CA PRO A 498 10.086 -27.283 -13.226 1.00 0.00 C ATOM 1213 C PRO A 498 9.215 -28.118 -14.168 1.00 0.00 C ATOM 1214 O PRO A 498 9.703 -29.048 -14.808 1.00 0.00 O ATOM 1215 CB PRO A 498 11.573 -27.462 -13.477 1.00 0.00 C ATOM 1216 CG PRO A 498 12.072 -28.390 -12.381 1.00 0.00 C ATOM 1217 CD PRO A 498 10.995 -28.470 -11.312 1.00 0.00 C ATOM 0 HA PRO A 498 9.787 -26.252 -13.414 1.00 0.00 H new ATOM 0 HB2 PRO A 498 11.754 -27.890 -14.463 1.00 0.00 H new ATOM 0 HB3 PRO A 498 12.093 -26.504 -13.445 1.00 0.00 H new ATOM 0 HG2 PRO A 498 12.283 -29.380 -12.786 1.00 0.00 H new ATOM 0 HG3 PRO A 498 13.003 -28.014 -11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 498 10.696 -29.502 -11.128 1.00 0.00 H new ATOM 0 HD3 PRO A 498 11.348 -28.066 -10.363 1.00 0.00 H new ATOM 1225 N CYS A 499 7.942 -27.754 -14.225 1.00 0.00 N ATOM 1226 CA CYS A 499 7.000 -28.457 -15.078 1.00 0.00 C ATOM 1227 C CYS A 499 7.385 -28.198 -16.534 1.00 0.00 C ATOM 1228 O CYS A 499 6.768 -28.739 -17.451 1.00 0.00 O ATOM 1229 CB CYS A 499 5.556 -28.043 -14.787 1.00 0.00 C ATOM 1230 SG CYS A 499 4.776 -28.915 -13.380 1.00 0.00 S ATOM 0 H CYS A 499 7.541 -26.981 -13.694 1.00 0.00 H new ATOM 0 HA CYS A 499 7.050 -29.527 -14.875 1.00 0.00 H new ATOM 0 HB2 CYS A 499 5.533 -26.971 -14.590 1.00 0.00 H new ATOM 0 HB3 CYS A 499 4.956 -28.216 -15.681 1.00 0.00 H new ATOM 1235 N LEU A 500 8.404 -27.368 -16.706 1.00 0.00 N ATOM 1236 CA LEU A 500 8.880 -27.030 -18.036 1.00 0.00 C ATOM 1237 C LEU A 500 7.685 -26.696 -18.931 1.00 0.00 C ATOM 1238 O LEU A 500 6.624 -26.313 -18.439 1.00 0.00 O ATOM 1239 CB LEU A 500 9.769 -28.147 -18.587 1.00 0.00 C ATOM 1240 CG LEU A 500 11.162 -27.724 -19.059 1.00 0.00 C ATOM 1241 CD1 LEU A 500 11.814 -26.770 -18.057 1.00 0.00 C ATOM 1242 CD2 LEU A 500 12.039 -28.947 -19.339 1.00 0.00 C ATOM 0 H LEU A 500 8.913 -26.919 -15.945 1.00 0.00 H new ATOM 0 HA LEU A 500 9.510 -26.141 -18.001 1.00 0.00 H new ATOM 0 HB2 LEU A 500 9.884 -28.907 -17.814 1.00 0.00 H new ATOM 0 HB3 LEU A 500 9.251 -28.618 -19.423 1.00 0.00 H new ATOM 0 HG LEU A 500 11.055 -27.181 -19.998 1.00 0.00 H new ATOM 0 HD11 LEU A 500 12.803 -26.485 -18.416 1.00 0.00 H new ATOM 0 HD12 LEU A 500 11.196 -25.878 -17.949 1.00 0.00 H new ATOM 0 HD13 LEU A 500 11.908 -27.266 -17.091 1.00 0.00 H new ATOM 0 HD21 LEU A 500 13.024 -28.620 -19.673 1.00 0.00 H new ATOM 0 HD22 LEU A 500 12.142 -29.537 -18.428 1.00 0.00 H new ATOM 0 HD23 LEU A 500 11.576 -29.556 -20.115 1.00 0.00 H new ATOM 1254 N HIS A 501 7.896 -26.854 -20.229 1.00 0.00 N ATOM 1255 CA HIS A 501 6.849 -26.575 -21.197 1.00 0.00 C ATOM 1256 C HIS A 501 6.038 -27.846 -21.457 1.00 0.00 C ATOM 1257 O HIS A 501 5.356 -27.953 -22.475 1.00 0.00 O ATOM 1258 CB HIS A 501 7.437 -25.974 -22.475 1.00 0.00 C ATOM 1259 CG HIS A 501 7.934 -24.557 -22.316 1.00 0.00 C ATOM 1260 ND1 HIS A 501 7.552 -23.529 -23.159 1.00 0.00 N ATOM 1261 CD2 HIS A 501 8.787 -24.010 -21.402 1.00 0.00 C ATOM 1262 CE1 HIS A 501 8.154 -22.417 -22.762 1.00 0.00 C ATOM 1263 NE2 HIS A 501 8.920 -22.718 -21.672 1.00 0.00 N ATOM 0 H HIS A 501 8.777 -27.172 -20.633 1.00 0.00 H new ATOM 0 HA HIS A 501 6.166 -25.827 -20.794 1.00 0.00 H new ATOM 0 HB2 HIS A 501 8.262 -26.601 -22.813 1.00 0.00 H new ATOM 0 HB3 HIS A 501 6.678 -25.996 -23.257 1.00 0.00 H new ATOM 0 HD2 HIS A 501 9.272 -24.539 -20.595 1.00 0.00 H new ATOM 0 HE1 HIS A 501 8.056 -21.444 -23.220 1.00 0.00 H new ATOM 0 HE2 HIS A 501 9.499 -22.059 -21.152 1.00 0.00 H new ATOM 1271 N ASN A 502 6.140 -28.776 -20.520 1.00 0.00 N ATOM 1272 CA ASN A 502 5.425 -30.036 -20.636 1.00 0.00 C ATOM 1273 C ASN A 502 4.193 -30.004 -19.727 1.00 0.00 C ATOM 1274 O ASN A 502 3.475 -30.995 -19.615 1.00 0.00 O ATOM 1275 CB ASN A 502 6.303 -31.211 -20.199 1.00 0.00 C ATOM 1276 CG ASN A 502 6.757 -31.046 -18.748 1.00 0.00 C ATOM 1277 OD1 ASN A 502 7.885 -30.677 -18.461 1.00 0.00 O ATOM 1278 ND2 ASN A 502 5.821 -31.338 -17.851 1.00 0.00 N ATOM 0 H ASN A 502 6.707 -28.683 -19.677 1.00 0.00 H new ATOM 0 HA ASN A 502 5.141 -30.167 -21.680 1.00 0.00 H new ATOM 0 HB2 ASN A 502 5.749 -32.143 -20.307 1.00 0.00 H new ATOM 0 HB3 ASN A 502 7.174 -31.281 -20.851 1.00 0.00 H new ATOM 0 HD21 ASN A 502 6.027 -31.259 -16.855 1.00 0.00 H new ATOM 0 HD22 ASN A 502 4.897 -31.641 -18.158 1.00 0.00 H new ATOM 1285 N GLY A 503 3.989 -28.853 -19.103 1.00 0.00 N ATOM 1286 CA GLY A 503 2.858 -28.679 -18.207 1.00 0.00 C ATOM 1287 C GLY A 503 2.951 -27.349 -17.459 1.00 0.00 C ATOM 1288 O GLY A 503 3.962 -26.652 -17.546 1.00 0.00 O ATOM 0 H GLY A 503 4.587 -28.032 -19.200 1.00 0.00 H new ATOM 0 HA2 GLY A 503 1.929 -28.716 -18.777 1.00 0.00 H new ATOM 0 HA3 GLY A 503 2.826 -29.501 -17.492 1.00 0.00 H new ATOM 1292 N ARG A 504 1.884 -27.034 -16.740 1.00 0.00 N ATOM 1293 CA ARG A 504 1.832 -25.799 -15.977 1.00 0.00 C ATOM 1294 C ARG A 504 1.517 -26.095 -14.509 1.00 0.00 C ATOM 1295 O ARG A 504 0.423 -26.558 -14.186 1.00 0.00 O ATOM 1296 CB ARG A 504 0.773 -24.847 -16.537 1.00 0.00 C ATOM 1297 CG ARG A 504 1.113 -24.431 -17.969 1.00 0.00 C ATOM 1298 CD ARG A 504 2.310 -23.478 -17.995 1.00 0.00 C ATOM 1299 NE ARG A 504 2.474 -22.908 -19.349 1.00 0.00 N ATOM 1300 CZ ARG A 504 1.767 -21.859 -19.820 1.00 0.00 C ATOM 1301 NH1 ARG A 504 0.837 -21.256 -19.048 1.00 0.00 N ATOM 1302 NH2 ARG A 504 1.996 -21.431 -21.049 1.00 0.00 N ATOM 0 H ARG A 504 1.048 -27.614 -16.670 1.00 0.00 H new ATOM 0 HA ARG A 504 2.809 -25.321 -16.054 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -0.203 -25.331 -16.517 1.00 0.00 H new ATOM 0 HB3 ARG A 504 0.703 -23.962 -15.904 1.00 0.00 H new ATOM 0 HG2 ARG A 504 1.335 -25.316 -18.565 1.00 0.00 H new ATOM 0 HG3 ARG A 504 0.249 -23.948 -18.426 1.00 0.00 H new ATOM 0 HD2 ARG A 504 2.164 -22.677 -17.270 1.00 0.00 H new ATOM 0 HD3 ARG A 504 3.215 -24.010 -17.704 1.00 0.00 H new ATOM 0 HE ARG A 504 3.165 -23.334 -19.966 1.00 0.00 H new ATOM 0 HH11 ARG A 504 0.664 -21.593 -18.101 1.00 0.00 H new ATOM 0 HH12 ARG A 504 0.308 -20.464 -19.412 1.00 0.00 H new ATOM 0 HH21 ARG A 504 2.699 -21.892 -21.627 1.00 0.00 H new ATOM 0 HH22 ARG A 504 1.470 -20.639 -21.420 1.00 0.00 H new ATOM 1315 N CYS A 505 2.494 -25.815 -13.658 1.00 0.00 N ATOM 1316 CA CYS A 505 2.333 -26.044 -12.233 1.00 0.00 C ATOM 1317 C CYS A 505 1.297 -25.053 -11.700 1.00 0.00 C ATOM 1318 O CYS A 505 1.531 -23.846 -11.698 1.00 0.00 O ATOM 1319 CB CYS A 505 3.665 -25.934 -11.489 1.00 0.00 C ATOM 1320 SG CYS A 505 4.692 -24.495 -11.963 1.00 0.00 S ATOM 0 H CYS A 505 3.400 -25.432 -13.929 1.00 0.00 H new ATOM 0 HA CYS A 505 1.980 -27.061 -12.063 1.00 0.00 H new ATOM 0 HB2 CYS A 505 3.464 -25.883 -10.419 1.00 0.00 H new ATOM 0 HB3 CYS A 505 4.238 -26.845 -11.662 1.00 0.00 H new ATOM 1325 N LEU A 506 0.173 -25.599 -11.259 1.00 0.00 N ATOM 1326 CA LEU A 506 -0.899 -24.779 -10.724 1.00 0.00 C ATOM 1327 C LEU A 506 -0.695 -24.597 -9.218 1.00 0.00 C ATOM 1328 O LEU A 506 -0.376 -25.553 -8.513 1.00 0.00 O ATOM 1329 CB LEU A 506 -2.262 -25.370 -11.093 1.00 0.00 C ATOM 1330 CG LEU A 506 -3.114 -24.540 -12.056 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -2.446 -24.435 -13.427 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -4.534 -25.101 -12.152 1.00 0.00 C ATOM 0 H LEU A 506 -0.018 -26.601 -11.262 1.00 0.00 H new ATOM 0 HA LEU A 506 -0.877 -23.785 -11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -2.102 -26.353 -11.536 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -2.830 -25.522 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 506 -3.193 -23.528 -11.658 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -3.072 -23.840 -14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -1.472 -23.957 -13.322 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -2.317 -25.433 -13.846 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -5.119 -24.494 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -4.496 -26.128 -12.515 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -5.000 -25.082 -11.167 1.00 0.00 H new ATOM 1344 N ASP A 507 -0.887 -23.365 -8.771 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.728 -23.047 -7.363 1.00 0.00 C ATOM 1346 C ASP A 507 -2.097 -23.070 -6.681 1.00 0.00 C ATOM 1347 O ASP A 507 -2.733 -22.029 -6.520 1.00 0.00 O ATOM 1348 CB ASP A 507 -0.131 -21.649 -7.179 1.00 0.00 C ATOM 1349 CG ASP A 507 -0.210 -21.096 -5.753 1.00 0.00 C ATOM 1350 OD1 ASP A 507 -0.546 -19.921 -5.544 1.00 0.00 O ATOM 1351 OD2 ASP A 507 0.095 -21.937 -4.825 1.00 0.00 O ATOM 0 H ASP A 507 -1.151 -22.575 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 507 -0.059 -23.787 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 507 0.915 -21.673 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.644 -20.960 -7.849 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.512 -24.268 -6.298 1.00 0.00 N ATOM 1358 CA LYS A 508 -3.794 -24.440 -5.637 1.00 0.00 C ATOM 1359 C LYS A 508 -3.628 -24.189 -4.137 1.00 0.00 C ATOM 1360 O LYS A 508 -2.519 -24.268 -3.611 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.388 -25.811 -5.970 1.00 0.00 C ATOM 1362 CG LYS A 508 -5.331 -25.723 -7.172 1.00 0.00 C ATOM 1363 CD LYS A 508 -5.846 -27.109 -7.568 1.00 0.00 C ATOM 1364 CE LYS A 508 -4.686 -28.052 -7.892 1.00 0.00 C ATOM 1365 NZ LYS A 508 -5.184 -29.276 -8.559 1.00 0.00 N ATOM 0 H LYS A 508 -1.983 -25.129 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 508 -4.514 -23.708 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -3.585 -26.517 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -4.929 -26.196 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -6.173 -25.073 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -4.810 -25.270 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -6.442 -27.525 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -6.503 -27.023 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -3.967 -27.546 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -4.159 -28.319 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -4.667 -30.103 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -6.199 -29.389 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -5.036 -29.197 -9.585 1.00 0.00 H new ATOM 1378 N ILE A 509 -4.745 -23.894 -3.492 1.00 0.00 N ATOM 1379 CA ILE A 509 -4.738 -23.632 -2.062 1.00 0.00 C ATOM 1380 C ILE A 509 -4.828 -24.958 -1.304 1.00 0.00 C ATOM 1381 O ILE A 509 -5.804 -25.210 -0.600 1.00 0.00 O ATOM 1382 CB ILE A 509 -5.842 -22.639 -1.694 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -5.786 -21.401 -2.593 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -5.777 -22.272 -0.210 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -7.058 -21.278 -3.435 1.00 0.00 C ATOM 0 H ILE A 509 -5.663 -23.830 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 509 -3.802 -23.158 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 509 -6.805 -23.119 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -5.663 -20.508 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -4.916 -21.461 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.573 -21.565 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.901 -23.171 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -4.811 -21.818 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -6.993 -20.391 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -7.165 -22.162 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -7.923 -21.194 -2.777 1.00 0.00 H new ATOM 1397 N ASN A 510 -3.796 -25.771 -1.473 1.00 0.00 N ATOM 1398 CA ASN A 510 -3.744 -27.065 -0.814 1.00 0.00 C ATOM 1399 C ASN A 510 -2.542 -27.853 -1.338 1.00 0.00 C ATOM 1400 O ASN A 510 -1.901 -28.586 -0.585 1.00 0.00 O ATOM 1401 CB ASN A 510 -5.006 -27.880 -1.105 1.00 0.00 C ATOM 1402 CG ASN A 510 -5.574 -28.489 0.181 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -5.251 -28.083 1.284 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -6.433 -29.482 -0.026 1.00 0.00 N ATOM 0 H ASN A 510 -2.988 -25.558 -2.058 1.00 0.00 H new ATOM 0 HA ASN A 510 -3.663 -26.894 0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -5.756 -27.242 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -4.775 -28.673 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -6.867 -29.955 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -6.658 -29.771 -0.978 1.00 0.00 H new ATOM 1411 N GLU A 511 -2.272 -27.675 -2.622 1.00 0.00 N ATOM 1412 CA GLU A 511 -1.157 -28.360 -3.255 1.00 0.00 C ATOM 1413 C GLU A 511 -0.950 -27.835 -4.676 1.00 0.00 C ATOM 1414 O GLU A 511 -1.694 -26.971 -5.138 1.00 0.00 O ATOM 1415 CB GLU A 511 -1.373 -29.874 -3.253 1.00 0.00 C ATOM 1416 CG GLU A 511 -0.226 -30.592 -2.541 1.00 0.00 C ATOM 1417 CD GLU A 511 -0.330 -32.108 -2.723 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -0.661 -32.579 -3.820 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -0.051 -32.803 -1.671 1.00 0.00 O ATOM 0 H GLU A 511 -2.806 -27.066 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 511 -0.254 -28.155 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -2.316 -30.109 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -1.451 -30.235 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 511 0.728 -30.240 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -0.243 -30.348 -1.479 1.00 0.00 H new ATOM 1427 N PHE A 512 0.064 -28.380 -5.333 1.00 0.00 N ATOM 1428 CA PHE A 512 0.379 -27.978 -6.692 1.00 0.00 C ATOM 1429 C PHE A 512 -0.060 -29.048 -7.696 1.00 0.00 C ATOM 1430 O PHE A 512 0.013 -30.241 -7.407 1.00 0.00 O ATOM 1431 CB PHE A 512 1.899 -27.815 -6.771 1.00 0.00 C ATOM 1432 CG PHE A 512 2.561 -28.672 -7.851 1.00 0.00 C ATOM 1433 CD1 PHE A 512 2.640 -28.212 -9.129 1.00 0.00 C ATOM 1434 CD2 PHE A 512 3.071 -29.892 -7.535 1.00 0.00 C ATOM 1435 CE1 PHE A 512 3.256 -29.007 -10.133 1.00 0.00 C ATOM 1436 CE2 PHE A 512 3.686 -30.686 -8.538 1.00 0.00 C ATOM 1437 CZ PHE A 512 3.765 -30.228 -9.815 1.00 0.00 C ATOM 0 H PHE A 512 0.678 -29.098 -4.948 1.00 0.00 H new ATOM 0 HA PHE A 512 -0.142 -27.052 -6.936 1.00 0.00 H new ATOM 0 HB2 PHE A 512 2.132 -26.767 -6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 512 2.332 -28.069 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 512 2.235 -27.243 -9.380 1.00 0.00 H new ATOM 0 HD2 PHE A 512 3.008 -30.257 -6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 512 3.320 -28.642 -11.148 1.00 0.00 H new ATOM 0 HE2 PHE A 512 4.091 -31.655 -8.286 1.00 0.00 H new ATOM 0 HZ PHE A 512 4.232 -30.833 -10.578 1.00 0.00 H new ATOM 1447 N GLN A 513 -0.506 -28.581 -8.852 1.00 0.00 N ATOM 1448 CA GLN A 513 -0.955 -29.481 -9.898 1.00 0.00 C ATOM 1449 C GLN A 513 -0.266 -29.146 -11.222 1.00 0.00 C ATOM 1450 O GLN A 513 -0.366 -28.022 -11.711 1.00 0.00 O ATOM 1451 CB GLN A 513 -2.478 -29.431 -10.048 1.00 0.00 C ATOM 1452 CG GLN A 513 -2.945 -30.320 -11.203 1.00 0.00 C ATOM 1453 CD GLN A 513 -3.130 -31.767 -10.742 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -2.194 -32.448 -10.361 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -4.389 -32.195 -10.798 1.00 0.00 N ATOM 0 H GLN A 513 -0.566 -27.590 -9.087 1.00 0.00 H new ATOM 0 HA GLN A 513 -0.681 -30.497 -9.615 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -2.949 -29.756 -9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -2.796 -28.403 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -3.885 -29.939 -11.603 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -2.216 -30.283 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -5.126 -31.571 -11.128 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -4.617 -33.147 -10.511 1.00 0.00 H new ATOM 1464 N CYS A 514 0.422 -30.141 -11.764 1.00 0.00 N ATOM 1465 CA CYS A 514 1.130 -29.965 -13.021 1.00 0.00 C ATOM 1466 C CYS A 514 0.196 -30.377 -14.160 1.00 0.00 C ATOM 1467 O CYS A 514 0.054 -31.563 -14.452 1.00 0.00 O ATOM 1468 CB CYS A 514 2.442 -30.752 -13.045 1.00 0.00 C ATOM 1469 SG CYS A 514 3.571 -30.318 -14.419 1.00 0.00 S ATOM 0 H CYS A 514 0.504 -31.072 -11.355 1.00 0.00 H new ATOM 0 HA CYS A 514 1.408 -28.918 -13.142 1.00 0.00 H new ATOM 0 HB2 CYS A 514 2.963 -30.592 -12.101 1.00 0.00 H new ATOM 0 HB3 CYS A 514 2.211 -31.815 -13.105 1.00 0.00 H new ATOM 1474 N GLU A 515 -0.417 -29.374 -14.773 1.00 0.00 N ATOM 1475 CA GLU A 515 -1.333 -29.618 -15.872 1.00 0.00 C ATOM 1476 C GLU A 515 -0.559 -29.779 -17.182 1.00 0.00 C ATOM 1477 O GLU A 515 0.669 -29.820 -17.180 1.00 0.00 O ATOM 1478 CB GLU A 515 -2.370 -28.497 -15.981 1.00 0.00 C ATOM 1479 CG GLU A 515 -1.715 -27.188 -16.429 1.00 0.00 C ATOM 1480 CD GLU A 515 -2.697 -26.330 -17.229 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -3.092 -26.714 -18.341 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -3.050 -25.229 -16.658 1.00 0.00 O ATOM 0 H GLU A 515 -0.296 -28.391 -14.528 1.00 0.00 H new ATOM 0 HA GLU A 515 -1.869 -30.546 -15.673 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -3.146 -28.782 -16.692 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -2.858 -28.353 -15.017 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -1.369 -26.633 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 515 -0.837 -27.406 -17.038 1.00 0.00 H new ATOM 1490 N CYS A 516 -1.311 -29.865 -18.270 1.00 0.00 N ATOM 1491 CA CYS A 516 -0.711 -30.020 -19.585 1.00 0.00 C ATOM 1492 C CYS A 516 -0.684 -28.650 -20.265 1.00 0.00 C ATOM 1493 O CYS A 516 -1.557 -27.816 -20.025 1.00 0.00 O ATOM 1494 CB CYS A 516 -1.452 -31.061 -20.426 1.00 0.00 C ATOM 1495 SG CYS A 516 -1.531 -30.686 -22.216 1.00 0.00 S ATOM 0 H CYS A 516 -2.330 -29.830 -18.268 1.00 0.00 H new ATOM 0 HA CYS A 516 0.308 -30.393 -19.481 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -0.966 -32.028 -20.293 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -2.468 -31.159 -20.044 1.00 0.00 H new ATOM 0 HG CYS A 516 -2.177 -31.632 -22.830 1.00 0.00 H new ATOM 1500 N PRO A 517 0.353 -28.454 -21.122 1.00 0.00 N ATOM 1501 CA PRO A 517 0.506 -27.200 -21.840 1.00 0.00 C ATOM 1502 C PRO A 517 -0.505 -27.097 -22.984 1.00 0.00 C ATOM 1503 O PRO A 517 -1.375 -26.227 -22.973 1.00 0.00 O ATOM 1504 CB PRO A 517 1.949 -27.192 -22.318 1.00 0.00 C ATOM 1505 CG PRO A 517 2.415 -28.637 -22.256 1.00 0.00 C ATOM 1506 CD PRO A 517 1.405 -29.418 -21.430 1.00 0.00 C ATOM 0 HA PRO A 517 0.304 -26.330 -21.215 1.00 0.00 H new ATOM 0 HB2 PRO A 517 2.022 -26.801 -23.333 1.00 0.00 H new ATOM 0 HB3 PRO A 517 2.567 -26.555 -21.685 1.00 0.00 H new ATOM 0 HG2 PRO A 517 2.493 -29.056 -23.259 1.00 0.00 H new ATOM 0 HG3 PRO A 517 3.406 -28.700 -21.806 1.00 0.00 H new ATOM 0 HD2 PRO A 517 1.012 -30.269 -21.986 1.00 0.00 H new ATOM 0 HD3 PRO A 517 1.858 -29.814 -20.521 1.00 0.00 H new