USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN :FLIP amide:sc= 0.725 F(o=-0.18,f=0.72) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -2.16 F(o=-3.3!,f=-2.2) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -1.67! C(o=-1.7!,f=-10!) USER MOD Single : A 432 THR OG1 : rot -78:sc= -5.92! USER MOD Single : A 435 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 439 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.018) USER MOD Single : A 442 GLN :FLIP amide:sc= -2.86! C(o=-5.1!,f=-2.9!) USER MOD Single : A 444 TYR OH : rot 180:sc= -1.73! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.0777! USER MOD Single : A 454 ASN : amide:sc= -5.36! C(o=-5.4!,f=-9.6!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -4.78! C(o=-4.8!,f=-5.6!) USER MOD Single : A 462 GLN :FLIP amide:sc= -2.18 F(o=-3.7!,f=-2.2) USER MOD Single : A 463 ASN :FLIP amide:sc= -0.0262 F(o=-0.63,f=-0.026) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 GLN : amide:sc= -3.85! C(o=-3.9!,f=-3.4!) USER MOD Single : A 475 GLN :FLIP amide:sc= -10.5! C(o=-13!,f=-11!) USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= -1.96 F(o=-3.8!,f=-2) USER MOD Single : A 490 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.078) USER MOD Single : A 491 THR OG1 : rot 76:sc= 0.486 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot 180:sc= 0 USER MOD Single : A 501 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 502 ASN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -0.0023 X(o=-0.0023,f=0.086) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 CYS SG : rot -28:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 0.920 34.326 5.515 1.00 0.00 N ATOM 19 CA ASP A 412 -0.367 33.880 6.022 1.00 0.00 C ATOM 20 C ASP A 412 -0.160 33.143 7.347 1.00 0.00 C ATOM 21 O ASP A 412 0.972 32.968 7.794 1.00 0.00 O ATOM 22 CB ASP A 412 -1.038 32.914 5.044 1.00 0.00 C ATOM 23 CG ASP A 412 -2.545 32.735 5.246 1.00 0.00 C ATOM 24 OD1 ASP A 412 -3.349 33.600 4.867 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.890 31.635 5.827 1.00 0.00 O ATOM 0 HA ASP A 412 -1.000 34.757 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.862 33.268 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.556 31.940 5.130 1.00 0.00 H new ATOM 31 N VAL A 413 -1.273 32.732 7.938 1.00 0.00 N ATOM 32 CA VAL A 413 -1.228 32.020 9.203 1.00 0.00 C ATOM 33 C VAL A 413 -0.950 30.538 8.939 1.00 0.00 C ATOM 34 O VAL A 413 -1.365 29.998 7.915 1.00 0.00 O ATOM 35 CB VAL A 413 -2.523 32.254 9.983 1.00 0.00 C ATOM 36 CG1 VAL A 413 -3.527 31.127 9.731 1.00 0.00 C ATOM 37 CG2 VAL A 413 -2.242 32.414 11.478 1.00 0.00 C ATOM 0 H VAL A 413 -2.210 32.879 7.564 1.00 0.00 H new ATOM 0 HA VAL A 413 -0.417 32.399 9.825 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.966 33.183 9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -4.438 31.318 10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.763 31.081 8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -3.095 30.178 10.048 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -3.180 32.579 12.009 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -1.765 31.510 11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -1.581 33.267 11.635 1.00 0.00 H new ATOM 47 N ASP A 414 -0.250 29.923 9.881 1.00 0.00 N ATOM 48 CA ASP A 414 0.089 28.515 9.764 1.00 0.00 C ATOM 49 C ASP A 414 -0.995 27.675 10.443 1.00 0.00 C ATOM 50 O ASP A 414 -0.810 27.209 11.566 1.00 0.00 O ATOM 51 CB ASP A 414 1.423 28.210 10.447 1.00 0.00 C ATOM 52 CG ASP A 414 2.105 26.920 9.987 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.307 26.719 10.212 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.339 26.090 9.365 1.00 0.00 O ATOM 0 H ASP A 414 0.092 30.375 10.729 1.00 0.00 H new ATOM 0 HA ASP A 414 0.165 28.274 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.102 29.044 10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.258 28.152 11.523 1.00 0.00 H new ATOM 60 N GLU A 415 -2.103 27.510 9.734 1.00 0.00 N ATOM 61 CA GLU A 415 -3.216 26.736 10.256 1.00 0.00 C ATOM 62 C GLU A 415 -2.750 25.330 10.638 1.00 0.00 C ATOM 63 O GLU A 415 -3.423 24.634 11.400 1.00 0.00 O ATOM 64 CB GLU A 415 -4.364 26.678 9.247 1.00 0.00 C ATOM 65 CG GLU A 415 -4.908 28.079 8.955 1.00 0.00 C ATOM 66 CD GLU A 415 -4.593 28.501 7.517 1.00 0.00 C ATOM 67 OE1 GLU A 415 -4.519 29.704 7.227 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.422 27.527 6.689 1.00 0.00 O ATOM 0 H GLU A 415 -2.253 27.899 8.803 1.00 0.00 H new ATOM 0 HA GLU A 415 -3.589 27.231 11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -4.017 26.218 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -5.163 26.047 9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.986 28.095 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -4.472 28.795 9.652 1.00 0.00 H new ATOM 76 N CYS A 416 -1.606 24.950 10.091 1.00 0.00 N ATOM 77 CA CYS A 416 -1.043 23.638 10.365 1.00 0.00 C ATOM 78 C CYS A 416 -0.281 23.710 11.689 1.00 0.00 C ATOM 79 O CYS A 416 0.037 22.680 12.282 1.00 0.00 O ATOM 80 CB CYS A 416 -0.151 23.155 9.219 1.00 0.00 C ATOM 81 SG CYS A 416 1.645 23.361 9.506 1.00 0.00 S ATOM 0 H CYS A 416 -1.052 25.528 9.458 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.845 22.905 10.448 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -0.357 22.100 9.037 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -0.424 23.695 8.312 1.00 0.00 H new ATOM 86 N SER A 417 -0.011 24.934 12.116 1.00 0.00 N ATOM 87 CA SER A 417 0.707 25.153 13.360 1.00 0.00 C ATOM 88 C SER A 417 -0.238 25.737 14.412 1.00 0.00 C ATOM 89 O SER A 417 0.113 25.817 15.590 1.00 0.00 O ATOM 90 CB SER A 417 1.905 26.082 13.148 1.00 0.00 C ATOM 91 OG SER A 417 2.939 25.843 14.100 1.00 0.00 O ATOM 0 H SER A 417 -0.277 25.786 11.622 1.00 0.00 H new ATOM 0 HA SER A 417 1.084 24.193 13.712 1.00 0.00 H new ATOM 0 HB2 SER A 417 2.299 25.942 12.141 1.00 0.00 H new ATOM 0 HB3 SER A 417 1.577 27.119 13.221 1.00 0.00 H new ATOM 0 HG SER A 417 3.687 26.454 13.931 1.00 0.00 H new ATOM 97 N LEU A 418 -1.415 26.131 13.953 1.00 0.00 N ATOM 98 CA LEU A 418 -2.413 26.706 14.840 1.00 0.00 C ATOM 99 C LEU A 418 -3.025 25.596 15.697 1.00 0.00 C ATOM 100 O LEU A 418 -2.524 25.293 16.778 1.00 0.00 O ATOM 101 CB LEU A 418 -3.443 27.506 14.041 1.00 0.00 C ATOM 102 CG LEU A 418 -3.055 28.947 13.701 1.00 0.00 C ATOM 103 CD1 LEU A 418 -3.520 29.322 12.292 1.00 0.00 C ATOM 104 CD2 LEU A 418 -3.583 29.921 14.756 1.00 0.00 C ATOM 0 H LEU A 418 -1.702 26.064 12.976 1.00 0.00 H new ATOM 0 HA LEU A 418 -1.951 27.419 15.523 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -3.644 26.975 13.110 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -4.376 27.525 14.605 1.00 0.00 H new ATOM 0 HG LEU A 418 -1.967 29.019 13.712 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -3.232 30.351 12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -3.056 28.655 11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -4.604 29.228 12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -3.293 30.938 14.490 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -4.670 29.854 14.802 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -3.162 29.667 15.729 1.00 0.00 H new ATOM 116 N GLY A 419 -4.101 25.020 15.181 1.00 0.00 N ATOM 117 CA GLY A 419 -4.788 23.950 15.886 1.00 0.00 C ATOM 118 C GLY A 419 -5.457 22.986 14.902 1.00 0.00 C ATOM 119 O GLY A 419 -6.340 22.221 15.283 1.00 0.00 O ATOM 0 H GLY A 419 -4.514 25.274 14.284 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -4.078 23.405 16.509 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -5.539 24.373 16.554 1.00 0.00 H new ATOM 123 N ALA A 420 -5.009 23.057 13.658 1.00 0.00 N ATOM 124 CA ALA A 420 -5.552 22.201 12.616 1.00 0.00 C ATOM 125 C ALA A 420 -4.410 21.444 11.937 1.00 0.00 C ATOM 126 O ALA A 420 -3.846 21.919 10.952 1.00 0.00 O ATOM 127 CB ALA A 420 -6.361 23.048 11.630 1.00 0.00 C ATOM 0 H ALA A 420 -4.276 23.694 13.347 1.00 0.00 H new ATOM 0 HA ALA A 420 -6.230 21.460 13.041 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.768 22.407 10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -7.178 23.540 12.158 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -5.714 23.801 11.181 1.00 0.00 H new ATOM 133 N ASN A 421 -4.104 20.280 12.488 1.00 0.00 N ATOM 134 CA ASN A 421 -3.038 19.452 11.948 1.00 0.00 C ATOM 135 C ASN A 421 -3.643 18.187 11.337 1.00 0.00 C ATOM 136 O ASN A 421 -4.046 17.275 12.058 1.00 0.00 O ATOM 137 CB ASN A 421 -2.059 19.027 13.045 1.00 0.00 C ATOM 138 CG ASN A 421 -0.644 18.872 12.487 1.00 0.00 C ATOM 139 OD1 ASN A 421 -0.282 17.612 12.270 1.00 0.00 O flip ATOM 140 ND2 ASN A 421 0.073 19.835 12.267 1.00 0.00 N flip ATOM 0 H ASN A 421 -4.575 19.889 13.304 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.505 20.035 11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -2.059 19.768 13.845 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -2.386 18.084 13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -0.267 20.778 12.456 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.012 19.697 11.894 1.00 0.00 H new ATOM 147 N PRO A 422 -3.689 18.170 9.977 1.00 0.00 N ATOM 148 CA PRO A 422 -4.236 17.031 9.261 1.00 0.00 C ATOM 149 C PRO A 422 -3.261 15.851 9.277 1.00 0.00 C ATOM 150 O PRO A 422 -3.677 14.700 9.389 1.00 0.00 O ATOM 151 CB PRO A 422 -4.520 17.547 7.861 1.00 0.00 C ATOM 152 CG PRO A 422 -3.695 18.814 7.707 1.00 0.00 C ATOM 153 CD PRO A 422 -3.220 19.230 9.091 1.00 0.00 C ATOM 0 HA PRO A 422 -5.145 16.643 9.721 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.244 16.808 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.582 17.754 7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.845 18.639 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.292 19.606 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.135 19.324 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.633 20.197 9.377 1.00 0.00 H new ATOM 161 N CYS A 423 -1.982 16.181 9.165 1.00 0.00 N ATOM 162 CA CYS A 423 -0.945 15.163 9.165 1.00 0.00 C ATOM 163 C CYS A 423 -1.255 14.161 10.280 1.00 0.00 C ATOM 164 O CYS A 423 -0.831 13.009 10.220 1.00 0.00 O ATOM 165 CB CYS A 423 0.448 15.776 9.320 1.00 0.00 C ATOM 166 SG CYS A 423 0.754 17.256 8.288 1.00 0.00 S ATOM 0 H CYS A 423 -1.641 17.138 9.074 1.00 0.00 H new ATOM 0 HA CYS A 423 -0.939 14.646 8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.598 16.043 10.366 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.192 15.019 9.074 1.00 0.00 H new ATOM 171 N GLU A 424 -1.994 14.639 11.271 1.00 0.00 N ATOM 172 CA GLU A 424 -2.366 13.800 12.398 1.00 0.00 C ATOM 173 C GLU A 424 -1.175 13.618 13.342 1.00 0.00 C ATOM 174 O GLU A 424 -1.165 14.158 14.446 1.00 0.00 O ATOM 175 CB GLU A 424 -2.899 12.447 11.922 1.00 0.00 C ATOM 176 CG GLU A 424 -4.050 12.629 10.931 1.00 0.00 C ATOM 177 CD GLU A 424 -5.106 11.536 11.108 1.00 0.00 C ATOM 178 OE1 GLU A 424 -5.238 10.976 12.207 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.802 11.275 10.056 1.00 0.00 O ATOM 0 H GLU A 424 -2.345 15.596 11.317 1.00 0.00 H new ATOM 0 HA GLU A 424 -3.166 14.297 12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.095 11.881 11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -3.240 11.865 12.778 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.507 13.608 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.664 12.605 9.912 1.00 0.00 H new ATOM 187 N HIS A 425 -0.198 12.856 12.870 1.00 0.00 N ATOM 188 CA HIS A 425 0.995 12.597 13.657 1.00 0.00 C ATOM 189 C HIS A 425 2.178 12.336 12.723 1.00 0.00 C ATOM 190 O HIS A 425 3.272 12.856 12.942 1.00 0.00 O ATOM 191 CB HIS A 425 0.756 11.453 14.646 1.00 0.00 C ATOM 192 CG HIS A 425 -0.352 11.720 15.637 1.00 0.00 C ATOM 193 ND1 HIS A 425 -1.707 11.643 15.499 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 -0.112 12.115 16.941 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -2.264 11.973 16.658 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 -1.277 12.266 17.553 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.209 12.410 11.953 1.00 0.00 H new ATOM 0 HA HIS A 425 1.237 13.474 14.257 1.00 0.00 H new ATOM 0 HB2 HIS A 425 0.520 10.547 14.088 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.679 11.259 15.192 1.00 0.00 H new ATOM 0 HD2 HIS A 425 0.860 12.273 17.385 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -3.325 12.004 16.859 1.00 0.00 H new ATOM 0 HE2 HIS A 425 -1.412 12.551 18.523 1.00 0.00 H new ATOM 204 N ALA A 426 1.921 11.532 11.704 1.00 0.00 N ATOM 205 CA ALA A 426 2.952 11.195 10.736 1.00 0.00 C ATOM 206 C ALA A 426 2.691 11.956 9.434 1.00 0.00 C ATOM 207 O ALA A 426 1.848 11.553 8.634 1.00 0.00 O ATOM 208 CB ALA A 426 2.983 9.680 10.530 1.00 0.00 C ATOM 0 H ALA A 426 1.013 11.103 11.526 1.00 0.00 H new ATOM 0 HA ALA A 426 3.934 11.494 11.101 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.756 9.427 9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.201 9.188 11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 426 2.014 9.343 10.161 1.00 0.00 H new ATOM 214 N GLY A 427 3.428 13.042 9.262 1.00 0.00 N ATOM 215 CA GLY A 427 3.287 13.862 8.072 1.00 0.00 C ATOM 216 C GLY A 427 3.928 15.236 8.273 1.00 0.00 C ATOM 217 O GLY A 427 4.295 15.597 9.390 1.00 0.00 O ATOM 0 H GLY A 427 4.126 13.374 9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.752 13.360 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.231 13.981 7.832 1.00 0.00 H new ATOM 221 N LYS A 428 4.044 15.967 7.174 1.00 0.00 N ATOM 222 CA LYS A 428 4.634 17.295 7.215 1.00 0.00 C ATOM 223 C LYS A 428 3.523 18.345 7.163 1.00 0.00 C ATOM 224 O LYS A 428 2.570 18.207 6.397 1.00 0.00 O ATOM 225 CB LYS A 428 5.682 17.450 6.111 1.00 0.00 C ATOM 226 CG LYS A 428 6.977 18.047 6.664 1.00 0.00 C ATOM 227 CD LYS A 428 6.768 19.495 7.109 1.00 0.00 C ATOM 228 CE LYS A 428 7.617 20.454 6.271 1.00 0.00 C ATOM 229 NZ LYS A 428 9.024 20.437 6.729 1.00 0.00 N ATOM 0 H LYS A 428 3.739 15.665 6.249 1.00 0.00 H new ATOM 0 HA LYS A 428 5.169 17.445 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.888 16.479 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.291 18.090 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.325 17.451 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.755 18.006 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 428 5.715 19.760 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.030 19.597 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 428 7.567 20.169 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.216 21.465 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 9.586 21.093 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.068 20.730 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.408 19.475 6.634 1.00 0.00 H new ATOM 242 N CYS A 429 3.681 19.371 7.986 1.00 0.00 N ATOM 243 CA CYS A 429 2.703 20.443 8.042 1.00 0.00 C ATOM 244 C CYS A 429 3.413 21.758 7.716 1.00 0.00 C ATOM 245 O CYS A 429 4.332 22.164 8.423 1.00 0.00 O ATOM 246 CB CYS A 429 2.000 20.496 9.401 1.00 0.00 C ATOM 247 SG CYS A 429 2.455 21.928 10.444 1.00 0.00 S ATOM 0 H CYS A 429 4.472 19.482 8.620 1.00 0.00 H new ATOM 0 HA CYS A 429 1.919 20.263 7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 429 0.923 20.512 9.237 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.226 19.580 9.947 1.00 0.00 H new ATOM 252 N ILE A 430 2.957 22.388 6.642 1.00 0.00 N ATOM 253 CA ILE A 430 3.537 23.650 6.213 1.00 0.00 C ATOM 254 C ILE A 430 2.441 24.716 6.153 1.00 0.00 C ATOM 255 O ILE A 430 1.256 24.399 6.248 1.00 0.00 O ATOM 256 CB ILE A 430 4.292 23.469 4.894 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.090 22.061 4.334 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.775 23.813 5.062 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.768 21.014 5.221 1.00 0.00 C ATOM 0 H ILE A 430 2.194 22.048 6.057 1.00 0.00 H new ATOM 0 HA ILE A 430 4.278 23.995 6.934 1.00 0.00 H new ATOM 0 HB ILE A 430 3.879 24.166 4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 430 3.024 21.845 4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.497 22.006 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.290 23.677 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.874 24.850 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.218 23.158 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.608 20.022 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.837 21.219 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.342 21.055 6.223 1.00 0.00 H new ATOM 271 N ASN A 431 2.875 25.956 5.995 1.00 0.00 N ATOM 272 CA ASN A 431 1.946 27.071 5.921 1.00 0.00 C ATOM 273 C ASN A 431 1.912 27.607 4.490 1.00 0.00 C ATOM 274 O ASN A 431 2.958 27.787 3.865 1.00 0.00 O ATOM 275 CB ASN A 431 2.379 28.212 6.843 1.00 0.00 C ATOM 276 CG ASN A 431 1.551 29.472 6.585 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.548 29.454 5.891 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.025 30.563 7.179 1.00 0.00 N ATOM 0 H ASN A 431 3.859 26.215 5.916 1.00 0.00 H new ATOM 0 HA ASN A 431 0.964 26.712 6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.267 27.906 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.436 28.429 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.543 31.455 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 431 2.871 30.508 7.747 1.00 0.00 H new ATOM 285 N THR A 432 0.702 27.850 4.009 1.00 0.00 N ATOM 286 CA THR A 432 0.520 28.363 2.662 1.00 0.00 C ATOM 287 C THR A 432 -0.326 29.639 2.688 1.00 0.00 C ATOM 288 O THR A 432 -0.988 29.931 3.682 1.00 0.00 O ATOM 289 CB THR A 432 -0.090 27.247 1.810 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.517 26.277 2.763 1.00 0.00 O ATOM 291 CG2 THR A 432 0.957 26.513 0.973 1.00 0.00 C ATOM 0 H THR A 432 -0.163 27.701 4.529 1.00 0.00 H new ATOM 0 HA THR A 432 1.472 28.650 2.215 1.00 0.00 H new ATOM 0 HB THR A 432 -0.851 27.666 1.152 1.00 0.00 H new ATOM 0 HG1 THR A 432 0.256 25.761 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.472 25.732 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.446 27.219 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.700 26.064 1.632 1.00 0.00 H new ATOM 299 N LEU A 433 -0.275 30.366 1.581 1.00 0.00 N ATOM 300 CA LEU A 433 -1.028 31.604 1.463 1.00 0.00 C ATOM 301 C LEU A 433 -2.516 31.278 1.324 1.00 0.00 C ATOM 302 O LEU A 433 -2.913 30.545 0.420 1.00 0.00 O ATOM 303 CB LEU A 433 -0.476 32.460 0.321 1.00 0.00 C ATOM 304 CG LEU A 433 0.490 33.575 0.726 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.293 34.068 -0.478 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.252 34.715 1.426 1.00 0.00 C ATOM 0 H LEU A 433 0.276 30.122 0.758 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.916 32.206 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 433 0.033 31.804 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.316 32.909 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 433 1.203 33.167 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.972 34.860 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.869 33.241 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.612 34.454 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.457 35.495 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.001 35.130 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.742 34.334 2.322 1.00 0.00 H new ATOM 318 N GLY A 434 -3.299 31.842 2.233 1.00 0.00 N ATOM 319 CA GLY A 434 -4.736 31.623 2.223 1.00 0.00 C ATOM 320 C GLY A 434 -5.094 30.305 2.915 1.00 0.00 C ATOM 321 O GLY A 434 -6.025 30.255 3.717 1.00 0.00 O ATOM 0 H GLY A 434 -2.965 32.450 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.237 32.450 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.098 31.609 1.195 1.00 0.00 H new ATOM 325 N SER A 435 -4.336 29.272 2.578 1.00 0.00 N ATOM 326 CA SER A 435 -4.562 27.959 3.158 1.00 0.00 C ATOM 327 C SER A 435 -3.233 27.355 3.619 1.00 0.00 C ATOM 328 O SER A 435 -2.168 27.895 3.327 1.00 0.00 O ATOM 329 CB SER A 435 -5.249 27.026 2.159 1.00 0.00 C ATOM 330 OG SER A 435 -5.696 25.821 2.772 1.00 0.00 O ATOM 0 H SER A 435 -3.565 29.317 1.911 1.00 0.00 H new ATOM 0 HA SER A 435 -5.221 28.075 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 435 -6.098 27.540 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 435 -4.557 26.787 1.352 1.00 0.00 H new ATOM 0 HG SER A 435 -6.130 25.254 2.101 1.00 0.00 H new ATOM 336 N PHE A 436 -3.341 26.243 4.331 1.00 0.00 N ATOM 337 CA PHE A 436 -2.162 25.561 4.837 1.00 0.00 C ATOM 338 C PHE A 436 -1.864 24.304 4.017 1.00 0.00 C ATOM 339 O PHE A 436 -2.763 23.731 3.402 1.00 0.00 O ATOM 340 CB PHE A 436 -2.465 25.154 6.280 1.00 0.00 C ATOM 341 CG PHE A 436 -3.387 23.940 6.405 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.935 22.704 6.061 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.659 24.097 6.859 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.791 21.577 6.177 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.516 22.970 6.975 1.00 0.00 C ATOM 346 CZ PHE A 436 -5.063 21.733 6.631 1.00 0.00 C ATOM 0 H PHE A 436 -4.227 25.797 4.570 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.295 26.219 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.526 24.938 6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.922 25.998 6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.925 22.580 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -5.018 25.079 7.131 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.432 20.596 5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.526 23.094 7.336 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.714 20.876 6.719 1.00 0.00 H new ATOM 356 N GLU A 437 -0.597 23.912 4.034 1.00 0.00 N ATOM 357 CA GLU A 437 -0.170 22.733 3.301 1.00 0.00 C ATOM 358 C GLU A 437 0.435 21.702 4.257 1.00 0.00 C ATOM 359 O GLU A 437 1.112 22.065 5.217 1.00 0.00 O ATOM 360 CB GLU A 437 0.821 23.104 2.196 1.00 0.00 C ATOM 361 CG GLU A 437 1.612 21.878 1.734 1.00 0.00 C ATOM 362 CD GLU A 437 1.969 21.984 0.250 1.00 0.00 C ATOM 363 OE1 GLU A 437 1.119 21.715 -0.612 1.00 0.00 O ATOM 364 OE2 GLU A 437 3.177 22.361 0.005 1.00 0.00 O ATOM 0 H GLU A 437 0.146 24.390 4.544 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.045 22.289 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.284 23.534 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.508 23.868 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.523 21.784 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 437 1.025 20.976 1.907 1.00 0.00 H new ATOM 372 N CYS A 438 0.168 20.439 3.961 1.00 0.00 N ATOM 373 CA CYS A 438 0.678 19.354 4.784 1.00 0.00 C ATOM 374 C CYS A 438 1.039 18.185 3.865 1.00 0.00 C ATOM 375 O CYS A 438 0.211 17.733 3.074 1.00 0.00 O ATOM 376 CB CYS A 438 -0.326 18.944 5.864 1.00 0.00 C ATOM 377 SG CYS A 438 -0.047 17.282 6.577 1.00 0.00 S ATOM 0 H CYS A 438 -0.394 20.142 3.164 1.00 0.00 H new ATOM 0 HA CYS A 438 1.569 19.684 5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.294 19.679 6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.329 18.979 5.440 1.00 0.00 H new ATOM 382 N GLN A 439 2.275 17.727 4.000 1.00 0.00 N ATOM 383 CA GLN A 439 2.755 16.620 3.193 1.00 0.00 C ATOM 384 C GLN A 439 2.255 15.292 3.763 1.00 0.00 C ATOM 385 O GLN A 439 1.872 15.217 4.931 1.00 0.00 O ATOM 386 CB GLN A 439 4.282 16.634 3.094 1.00 0.00 C ATOM 387 CG GLN A 439 4.789 18.012 2.662 1.00 0.00 C ATOM 388 CD GLN A 439 6.227 17.929 2.145 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.538 17.209 1.210 1.00 0.00 O ATOM 390 NE2 GLN A 439 7.085 18.702 2.805 1.00 0.00 N ATOM 0 H GLN A 439 2.958 18.103 4.657 1.00 0.00 H new ATOM 0 HA GLN A 439 2.358 16.733 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.715 16.369 4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.611 15.880 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 439 4.141 18.414 1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.741 18.702 3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.759 19.281 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 439 8.069 18.716 2.537 1.00 0.00 H new ATOM 399 N CYS A 440 2.276 14.274 2.915 1.00 0.00 N ATOM 400 CA CYS A 440 1.830 12.952 3.321 1.00 0.00 C ATOM 401 C CYS A 440 3.054 12.143 3.754 1.00 0.00 C ATOM 402 O CYS A 440 4.140 12.309 3.200 1.00 0.00 O ATOM 403 CB CYS A 440 1.049 12.251 2.205 1.00 0.00 C ATOM 404 SG CYS A 440 1.293 12.960 0.536 1.00 0.00 S ATOM 0 H CYS A 440 2.595 14.338 1.948 1.00 0.00 H new ATOM 0 HA CYS A 440 1.139 13.041 4.159 1.00 0.00 H new ATOM 0 HB2 CYS A 440 1.337 11.200 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -0.013 12.285 2.447 1.00 0.00 H new ATOM 409 N LEU A 441 2.838 11.287 4.742 1.00 0.00 N ATOM 410 CA LEU A 441 3.911 10.453 5.257 1.00 0.00 C ATOM 411 C LEU A 441 3.715 9.018 4.767 1.00 0.00 C ATOM 412 O LEU A 441 2.742 8.360 5.132 1.00 0.00 O ATOM 413 CB LEU A 441 3.999 10.576 6.780 1.00 0.00 C ATOM 414 CG LEU A 441 5.406 10.757 7.357 1.00 0.00 C ATOM 415 CD1 LEU A 441 6.346 9.654 6.865 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.949 12.153 7.049 1.00 0.00 C ATOM 0 H LEU A 441 1.936 11.153 5.199 1.00 0.00 H new ATOM 0 HA LEU A 441 4.874 10.792 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 441 3.388 11.423 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 441 3.558 9.683 7.223 1.00 0.00 H new ATOM 0 HG LEU A 441 5.345 10.668 8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 441 7.339 9.806 7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 441 5.962 8.683 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 441 6.408 9.687 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.949 12.255 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.993 12.296 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.292 12.904 7.488 1.00 0.00 H new ATOM 428 N GLN A 442 4.655 8.574 3.944 1.00 0.00 N ATOM 429 CA GLN A 442 4.599 7.228 3.401 1.00 0.00 C ATOM 430 C GLN A 442 3.428 7.100 2.421 1.00 0.00 C ATOM 431 O GLN A 442 3.569 7.408 1.238 1.00 0.00 O ATOM 432 CB GLN A 442 4.494 6.188 4.517 1.00 0.00 C ATOM 433 CG GLN A 442 5.856 5.554 4.804 1.00 0.00 C ATOM 434 CD GLN A 442 6.136 5.512 6.308 1.00 0.00 C ATOM 435 OE1 GLN A 442 5.896 6.660 6.934 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.543 4.504 6.863 1.00 0.00 N flip ATOM 0 H GLN A 442 5.459 9.123 3.641 1.00 0.00 H new ATOM 0 HA GLN A 442 5.526 7.038 2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 442 4.109 6.658 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.781 5.414 4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.883 4.543 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 442 6.639 6.122 4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.707 3.655 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.719 4.511 7.868 1.00 0.00 H new ATOM 445 N GLY A 443 2.302 6.647 2.951 1.00 0.00 N ATOM 446 CA GLY A 443 1.109 6.475 2.139 1.00 0.00 C ATOM 447 C GLY A 443 -0.127 7.013 2.861 1.00 0.00 C ATOM 448 O GLY A 443 -0.920 6.242 3.399 1.00 0.00 O ATOM 0 H GLY A 443 2.190 6.394 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 443 1.234 6.994 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.970 5.418 1.910 1.00 0.00 H new ATOM 452 N TYR A 444 -0.252 8.332 2.849 1.00 0.00 N ATOM 453 CA TYR A 444 -1.380 8.983 3.495 1.00 0.00 C ATOM 454 C TYR A 444 -2.418 9.433 2.466 1.00 0.00 C ATOM 455 O TYR A 444 -2.118 9.526 1.277 1.00 0.00 O ATOM 456 CB TYR A 444 -0.809 10.215 4.200 1.00 0.00 C ATOM 457 CG TYR A 444 -0.606 10.033 5.705 1.00 0.00 C ATOM 458 CD1 TYR A 444 0.160 8.986 6.177 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.188 10.915 6.591 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.351 8.815 7.595 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.998 10.745 8.008 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.238 9.703 8.440 1.00 0.00 C ATOM 463 OH TYR A 444 -0.058 9.542 9.778 1.00 0.00 O ATOM 0 H TYR A 444 0.409 8.968 2.402 1.00 0.00 H new ATOM 0 HA TYR A 444 -1.874 8.298 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 444 0.147 10.472 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.479 11.059 4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.616 8.295 5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.787 11.734 6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.948 8.001 7.978 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.449 11.429 8.712 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.535 10.250 10.260 1.00 0.00 H new ATOM 473 N THR A 445 -3.618 9.702 2.960 1.00 0.00 N ATOM 474 CA THR A 445 -4.701 10.141 2.098 1.00 0.00 C ATOM 475 C THR A 445 -4.885 11.656 2.202 1.00 0.00 C ATOM 476 O THR A 445 -3.947 12.416 1.963 1.00 0.00 O ATOM 477 CB THR A 445 -5.956 9.349 2.474 1.00 0.00 C ATOM 478 OG1 THR A 445 -6.997 9.977 1.732 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.362 9.558 3.935 1.00 0.00 C ATOM 0 H THR A 445 -3.863 9.624 3.947 1.00 0.00 H new ATOM 0 HA THR A 445 -4.477 9.944 1.050 1.00 0.00 H new ATOM 0 HB THR A 445 -5.785 8.288 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 445 -7.847 9.525 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.257 8.975 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.552 9.234 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.567 10.615 4.108 1.00 0.00 H new ATOM 487 N GLY A 446 -6.098 12.050 2.558 1.00 0.00 N ATOM 488 CA GLY A 446 -6.417 13.461 2.695 1.00 0.00 C ATOM 489 C GLY A 446 -6.795 14.073 1.344 1.00 0.00 C ATOM 490 O GLY A 446 -6.553 13.473 0.298 1.00 0.00 O ATOM 0 H GLY A 446 -6.873 11.417 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.241 13.584 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.561 13.992 3.112 1.00 0.00 H new ATOM 494 N PRO A 447 -7.397 15.290 1.412 1.00 0.00 N ATOM 495 CA PRO A 447 -7.811 15.989 0.208 1.00 0.00 C ATOM 496 C PRO A 447 -6.606 16.588 -0.518 1.00 0.00 C ATOM 497 O PRO A 447 -6.568 16.615 -1.748 1.00 0.00 O ATOM 498 CB PRO A 447 -8.801 17.040 0.684 1.00 0.00 C ATOM 499 CG PRO A 447 -8.556 17.199 2.175 1.00 0.00 C ATOM 500 CD PRO A 447 -7.701 16.029 2.635 1.00 0.00 C ATOM 0 HA PRO A 447 -8.274 15.328 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -8.650 17.984 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -9.827 16.727 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.052 18.144 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -9.501 17.217 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -6.791 16.373 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.235 15.406 3.352 1.00 0.00 H new ATOM 508 N ARG A 448 -5.650 17.056 0.272 1.00 0.00 N ATOM 509 CA ARG A 448 -4.447 17.654 -0.281 1.00 0.00 C ATOM 510 C ARG A 448 -3.228 16.784 0.036 1.00 0.00 C ATOM 511 O ARG A 448 -2.106 17.122 -0.337 1.00 0.00 O ATOM 512 CB ARG A 448 -4.222 19.059 0.281 1.00 0.00 C ATOM 513 CG ARG A 448 -5.549 19.712 0.673 1.00 0.00 C ATOM 514 CD ARG A 448 -6.358 20.097 -0.569 1.00 0.00 C ATOM 515 NE ARG A 448 -7.281 21.207 -0.246 1.00 0.00 N ATOM 516 CZ ARG A 448 -7.742 22.095 -1.153 1.00 0.00 C ATOM 517 NH1 ARG A 448 -7.369 22.011 -2.447 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.565 23.049 -0.754 1.00 0.00 N ATOM 0 H ARG A 448 -5.685 17.033 1.291 1.00 0.00 H new ATOM 0 HA ARG A 448 -4.577 17.724 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -3.568 19.006 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -3.715 19.675 -0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.128 19.025 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -5.358 20.599 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -5.686 20.394 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -6.922 19.236 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 448 -7.588 21.308 0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -6.733 21.272 -2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -7.723 22.686 -3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -8.843 23.106 0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -8.923 23.728 -1.426 1.00 0.00 H new ATOM 531 N CYS A 449 -3.492 15.680 0.720 1.00 0.00 N ATOM 532 CA CYS A 449 -2.430 14.760 1.092 1.00 0.00 C ATOM 533 C CYS A 449 -1.934 15.136 2.489 1.00 0.00 C ATOM 534 O CYS A 449 -0.810 15.612 2.645 1.00 0.00 O ATOM 535 CB CYS A 449 -1.297 14.760 0.064 1.00 0.00 C ATOM 536 SG CYS A 449 -0.491 13.136 -0.189 1.00 0.00 S ATOM 0 H CYS A 449 -4.425 15.402 1.026 1.00 0.00 H new ATOM 0 HA CYS A 449 -2.817 13.741 1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -1.692 15.107 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -0.541 15.480 0.377 1.00 0.00 H new ATOM 541 N GLU A 450 -2.795 14.910 3.470 1.00 0.00 N ATOM 542 CA GLU A 450 -2.458 15.221 4.848 1.00 0.00 C ATOM 543 C GLU A 450 -3.316 14.389 5.805 1.00 0.00 C ATOM 544 O GLU A 450 -3.430 14.715 6.984 1.00 0.00 O ATOM 545 CB GLU A 450 -2.618 16.716 5.128 1.00 0.00 C ATOM 546 CG GLU A 450 -3.979 17.221 4.648 1.00 0.00 C ATOM 547 CD GLU A 450 -3.860 17.910 3.287 1.00 0.00 C ATOM 548 OE1 GLU A 450 -4.762 17.782 2.446 1.00 0.00 O ATOM 549 OE2 GLU A 450 -2.781 18.599 3.117 1.00 0.00 O ATOM 0 H GLU A 450 -3.726 14.515 3.337 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.411 14.964 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.513 16.903 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.824 17.270 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -4.676 16.386 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.390 17.918 5.378 1.00 0.00 H new ATOM 557 N ILE A 451 -3.896 13.330 5.258 1.00 0.00 N ATOM 558 CA ILE A 451 -4.739 12.449 6.048 1.00 0.00 C ATOM 559 C ILE A 451 -4.257 11.005 5.883 1.00 0.00 C ATOM 560 O ILE A 451 -3.819 10.613 4.802 1.00 0.00 O ATOM 561 CB ILE A 451 -6.212 12.650 5.686 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.780 13.890 6.379 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.030 11.395 5.995 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.257 15.172 5.726 1.00 0.00 C ATOM 0 H ILE A 451 -3.799 13.063 4.278 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.658 12.694 7.107 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.280 12.820 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.869 13.871 6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.508 13.878 7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.073 11.566 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.641 10.556 5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.960 11.168 7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.676 16.038 6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.170 15.199 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.552 15.193 4.677 1.00 0.00 H new ATOM 576 N ASP A 452 -4.355 10.254 6.970 1.00 0.00 N ATOM 577 CA ASP A 452 -3.935 8.864 6.959 1.00 0.00 C ATOM 578 C ASP A 452 -5.138 7.975 6.635 1.00 0.00 C ATOM 579 O ASP A 452 -6.205 8.128 7.228 1.00 0.00 O ATOM 580 CB ASP A 452 -3.391 8.442 8.325 1.00 0.00 C ATOM 581 CG ASP A 452 -3.046 6.957 8.454 1.00 0.00 C ATOM 582 OD1 ASP A 452 -1.941 6.592 8.881 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.982 6.147 8.090 1.00 0.00 O ATOM 0 H ASP A 452 -4.719 10.582 7.864 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.152 8.755 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.497 9.027 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -4.128 8.696 9.087 1.00 0.00 H new ATOM 589 N VAL A 453 -4.925 7.064 5.696 1.00 0.00 N ATOM 590 CA VAL A 453 -5.978 6.152 5.286 1.00 0.00 C ATOM 591 C VAL A 453 -5.797 4.815 6.007 1.00 0.00 C ATOM 592 O VAL A 453 -4.696 4.487 6.449 1.00 0.00 O ATOM 593 CB VAL A 453 -5.985 6.013 3.763 1.00 0.00 C ATOM 594 CG1 VAL A 453 -4.640 6.431 3.168 1.00 0.00 C ATOM 595 CG2 VAL A 453 -6.351 4.587 3.345 1.00 0.00 C ATOM 0 H VAL A 453 -4.038 6.939 5.208 1.00 0.00 H new ATOM 0 HA VAL A 453 -6.955 6.544 5.568 1.00 0.00 H new ATOM 0 HB VAL A 453 -6.748 6.684 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -4.672 6.322 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.437 7.471 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -3.851 5.798 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -6.349 4.515 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.622 3.889 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -7.343 4.340 3.723 1.00 0.00 H new ATOM 605 N ASN A 454 -6.894 4.078 6.105 1.00 0.00 N ATOM 606 CA ASN A 454 -6.869 2.784 6.765 1.00 0.00 C ATOM 607 C ASN A 454 -6.856 1.677 5.709 1.00 0.00 C ATOM 608 O ASN A 454 -7.910 1.189 5.302 1.00 0.00 O ATOM 609 CB ASN A 454 -8.110 2.588 7.638 1.00 0.00 C ATOM 610 CG ASN A 454 -8.010 1.294 8.450 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.947 0.727 8.635 1.00 0.00 O ATOM 612 ND2 ASN A 454 -9.176 0.861 8.922 1.00 0.00 N ATOM 0 H ASN A 454 -7.805 4.352 5.738 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.977 2.742 7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.223 3.437 8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -9.000 2.560 7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -9.216 0.006 9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -10.030 1.385 8.730 1.00 0.00 H new ATOM 619 N GLU A 455 -5.651 1.313 5.295 1.00 0.00 N ATOM 620 CA GLU A 455 -5.485 0.273 4.294 1.00 0.00 C ATOM 621 C GLU A 455 -6.182 -1.012 4.744 1.00 0.00 C ATOM 622 O GLU A 455 -6.439 -1.901 3.933 1.00 0.00 O ATOM 623 CB GLU A 455 -4.005 0.022 4.002 1.00 0.00 C ATOM 624 CG GLU A 455 -3.240 1.340 3.878 1.00 0.00 C ATOM 625 CD GLU A 455 -2.638 1.753 5.222 1.00 0.00 C ATOM 626 OE1 GLU A 455 -3.174 1.391 6.281 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.573 2.477 5.144 1.00 0.00 O ATOM 0 H GLU A 455 -4.780 1.720 5.635 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.950 0.610 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.571 -0.581 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.904 -0.549 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -2.447 1.236 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -3.910 2.121 3.520 1.00 0.00 H new ATOM 635 N CYS A 456 -6.466 -1.072 6.036 1.00 0.00 N ATOM 636 CA CYS A 456 -7.128 -2.234 6.604 1.00 0.00 C ATOM 637 C CYS A 456 -8.575 -2.253 6.111 1.00 0.00 C ATOM 638 O CYS A 456 -9.309 -3.209 6.360 1.00 0.00 O ATOM 639 CB CYS A 456 -7.047 -2.241 8.133 1.00 0.00 C ATOM 640 SG CYS A 456 -7.810 -3.697 8.936 1.00 0.00 S ATOM 0 H CYS A 456 -6.250 -0.334 6.706 1.00 0.00 H new ATOM 0 HA CYS A 456 -6.621 -3.140 6.274 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.999 -2.189 8.427 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -7.529 -1.340 8.512 1.00 0.00 H new ATOM 645 N VAL A 457 -8.944 -1.187 5.417 1.00 0.00 N ATOM 646 CA VAL A 457 -10.291 -1.069 4.884 1.00 0.00 C ATOM 647 C VAL A 457 -10.340 -1.692 3.489 1.00 0.00 C ATOM 648 O VAL A 457 -11.403 -2.104 3.025 1.00 0.00 O ATOM 649 CB VAL A 457 -10.733 0.397 4.901 1.00 0.00 C ATOM 650 CG1 VAL A 457 -10.560 1.006 6.293 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.979 1.208 3.847 1.00 0.00 C ATOM 0 H VAL A 457 -8.333 -0.396 5.211 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.998 -1.616 5.508 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.794 0.431 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.881 2.047 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -11.164 0.451 7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -9.511 0.954 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.311 2.246 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.909 1.163 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.178 0.794 2.858 1.00 0.00 H new ATOM 661 N SER A 458 -9.176 -1.745 2.858 1.00 0.00 N ATOM 662 CA SER A 458 -9.073 -2.311 1.524 1.00 0.00 C ATOM 663 C SER A 458 -8.138 -3.523 1.541 1.00 0.00 C ATOM 664 O SER A 458 -7.953 -4.182 0.520 1.00 0.00 O ATOM 665 CB SER A 458 -8.573 -1.271 0.519 1.00 0.00 C ATOM 666 OG SER A 458 -9.393 -0.104 0.507 1.00 0.00 O ATOM 0 H SER A 458 -8.296 -1.405 3.246 1.00 0.00 H new ATOM 0 HA SER A 458 -10.067 -2.629 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 458 -7.548 -0.992 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.553 -1.711 -0.478 1.00 0.00 H new ATOM 0 HG SER A 458 -9.041 0.537 -0.145 1.00 0.00 H new ATOM 672 N ASN A 459 -7.574 -3.779 2.713 1.00 0.00 N ATOM 673 CA ASN A 459 -6.664 -4.898 2.877 1.00 0.00 C ATOM 674 C ASN A 459 -6.660 -5.337 4.342 1.00 0.00 C ATOM 675 O ASN A 459 -5.624 -5.298 5.003 1.00 0.00 O ATOM 676 CB ASN A 459 -5.235 -4.506 2.497 1.00 0.00 C ATOM 677 CG ASN A 459 -5.229 -3.531 1.319 1.00 0.00 C ATOM 678 OD1 ASN A 459 -4.824 -3.854 0.214 1.00 0.00 O ATOM 679 ND2 ASN A 459 -5.698 -2.322 1.615 1.00 0.00 N ATOM 0 H ASN A 459 -7.731 -3.230 3.558 1.00 0.00 H new ATOM 0 HA ASN A 459 -7.002 -5.705 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.739 -4.050 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.666 -5.399 2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.734 -1.599 0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -6.021 -2.118 2.561 1.00 0.00 H new ATOM 686 N PRO A 460 -7.862 -5.755 4.820 1.00 0.00 N ATOM 687 CA PRO A 460 -8.008 -6.200 6.195 1.00 0.00 C ATOM 688 C PRO A 460 -7.409 -7.595 6.387 1.00 0.00 C ATOM 689 O PRO A 460 -7.320 -8.088 7.510 1.00 0.00 O ATOM 690 CB PRO A 460 -9.502 -6.153 6.468 1.00 0.00 C ATOM 691 CG PRO A 460 -10.174 -6.132 5.105 1.00 0.00 C ATOM 692 CD PRO A 460 -9.112 -5.813 4.067 1.00 0.00 C ATOM 0 HA PRO A 460 -7.468 -5.568 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.821 -7.020 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -9.766 -5.268 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.638 -7.095 4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.967 -5.385 5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -9.072 -6.579 3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.318 -4.866 3.568 1.00 0.00 H new ATOM 700 N CYS A 461 -7.013 -8.192 5.271 1.00 0.00 N ATOM 701 CA CYS A 461 -6.425 -9.520 5.302 1.00 0.00 C ATOM 702 C CYS A 461 -7.538 -10.533 5.574 1.00 0.00 C ATOM 703 O CYS A 461 -7.275 -11.635 6.054 1.00 0.00 O ATOM 704 CB CYS A 461 -5.299 -9.617 6.334 1.00 0.00 C ATOM 705 SG CYS A 461 -3.693 -10.184 5.669 1.00 0.00 S ATOM 0 H CYS A 461 -7.088 -7.780 4.341 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.965 -9.739 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -5.161 -8.638 6.793 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -5.609 -10.299 7.126 1.00 0.00 H new ATOM 710 N GLN A 462 -8.758 -10.124 5.255 1.00 0.00 N ATOM 711 CA GLN A 462 -9.911 -10.982 5.459 1.00 0.00 C ATOM 712 C GLN A 462 -9.883 -11.586 6.864 1.00 0.00 C ATOM 713 O GLN A 462 -9.398 -10.957 7.804 1.00 0.00 O ATOM 714 CB GLN A 462 -9.976 -12.077 4.392 1.00 0.00 C ATOM 715 CG GLN A 462 -8.891 -13.130 4.623 1.00 0.00 C ATOM 716 CD GLN A 462 -9.361 -14.511 4.161 1.00 0.00 C ATOM 717 OE1 GLN A 462 -9.169 -14.742 2.865 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -9.864 -15.314 4.930 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.972 -9.210 4.857 1.00 0.00 H new ATOM 0 HA GLN A 462 -10.811 -10.375 5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -10.958 -12.550 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -9.854 -11.635 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -7.987 -12.850 4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -8.632 -13.165 5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -9.982 -15.073 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -10.166 -16.227 4.589 1.00 0.00 H new ATOM 727 N ASN A 463 -10.407 -12.798 6.964 1.00 0.00 N ATOM 728 CA ASN A 463 -10.448 -13.493 8.239 1.00 0.00 C ATOM 729 C ASN A 463 -9.336 -14.544 8.277 1.00 0.00 C ATOM 730 O ASN A 463 -9.551 -15.665 8.733 1.00 0.00 O ATOM 731 CB ASN A 463 -11.783 -14.213 8.432 1.00 0.00 C ATOM 732 CG ASN A 463 -12.948 -13.351 7.941 1.00 0.00 C ATOM 733 OD1 ASN A 463 -13.157 -13.419 6.629 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -13.611 -12.666 8.703 1.00 0.00 N flip ATOM 0 H ASN A 463 -10.807 -13.317 6.182 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.319 -12.754 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -11.772 -15.158 7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.922 -14.452 9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -13.397 -12.660 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -14.379 -12.100 8.343 1.00 0.00 H new ATOM 741 N ASP A 464 -8.169 -14.142 7.791 1.00 0.00 N ATOM 742 CA ASP A 464 -7.023 -15.034 7.765 1.00 0.00 C ATOM 743 C ASP A 464 -5.747 -14.225 8.005 1.00 0.00 C ATOM 744 O ASP A 464 -4.734 -14.446 7.345 1.00 0.00 O ATOM 745 CB ASP A 464 -6.896 -15.726 6.406 1.00 0.00 C ATOM 746 CG ASP A 464 -7.701 -17.020 6.260 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.542 -17.347 7.111 1.00 0.00 O ATOM 748 OD2 ASP A 464 -7.431 -17.714 5.207 1.00 0.00 O ATOM 0 H ASP A 464 -7.994 -13.211 7.413 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.162 -15.786 8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -7.213 -15.029 5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -5.844 -15.948 6.225 1.00 0.00 H new ATOM 754 N ALA A 465 -5.837 -13.304 8.953 1.00 0.00 N ATOM 755 CA ALA A 465 -4.703 -12.461 9.288 1.00 0.00 C ATOM 756 C ALA A 465 -5.173 -11.316 10.188 1.00 0.00 C ATOM 757 O ALA A 465 -6.136 -10.624 9.866 1.00 0.00 O ATOM 758 CB ALA A 465 -4.043 -11.958 8.004 1.00 0.00 C ATOM 0 H ALA A 465 -6.679 -13.123 9.500 1.00 0.00 H new ATOM 0 HA ALA A 465 -3.953 -13.028 9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.192 -11.325 8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.701 -12.808 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.765 -11.381 7.426 1.00 0.00 H new ATOM 764 N THR A 466 -4.469 -11.153 11.300 1.00 0.00 N ATOM 765 CA THR A 466 -4.802 -10.106 12.250 1.00 0.00 C ATOM 766 C THR A 466 -4.482 -8.730 11.659 1.00 0.00 C ATOM 767 O THR A 466 -3.315 -8.368 11.515 1.00 0.00 O ATOM 768 CB THR A 466 -4.056 -10.395 13.554 1.00 0.00 C ATOM 769 OG1 THR A 466 -4.802 -11.451 14.152 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.166 -9.245 14.558 1.00 0.00 C ATOM 0 H THR A 466 -3.670 -11.729 11.563 1.00 0.00 H new ATOM 0 HA THR A 466 -5.870 -10.093 12.466 1.00 0.00 H new ATOM 0 HB THR A 466 -3.005 -10.588 13.337 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.387 -11.703 15.003 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.619 -9.501 15.466 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.743 -8.340 14.122 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.215 -9.074 14.802 1.00 0.00 H new ATOM 778 N CYS A 467 -5.540 -8.002 11.332 1.00 0.00 N ATOM 779 CA CYS A 467 -5.386 -6.674 10.760 1.00 0.00 C ATOM 780 C CYS A 467 -4.636 -5.802 11.768 1.00 0.00 C ATOM 781 O CYS A 467 -4.798 -5.963 12.977 1.00 0.00 O ATOM 782 CB CYS A 467 -6.736 -6.067 10.372 1.00 0.00 C ATOM 783 SG CYS A 467 -6.826 -4.244 10.513 1.00 0.00 S ATOM 0 H CYS A 467 -6.506 -8.306 11.452 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.811 -6.736 9.836 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.964 -6.350 9.344 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.510 -6.505 11.002 1.00 0.00 H new ATOM 788 N LEU A 468 -3.832 -4.894 11.232 1.00 0.00 N ATOM 789 CA LEU A 468 -3.057 -3.995 12.071 1.00 0.00 C ATOM 790 C LEU A 468 -2.642 -2.772 11.251 1.00 0.00 C ATOM 791 O LEU A 468 -1.559 -2.747 10.668 1.00 0.00 O ATOM 792 CB LEU A 468 -1.879 -4.737 12.706 1.00 0.00 C ATOM 793 CG LEU A 468 -2.166 -5.434 14.038 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.866 -5.842 14.734 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.047 -4.562 14.935 1.00 0.00 C ATOM 0 H LEU A 468 -3.701 -4.762 10.229 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.662 -3.633 12.902 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.521 -5.484 11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.067 -4.026 12.858 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.722 -6.349 13.832 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.098 -6.335 15.678 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.310 -6.527 14.094 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.263 -4.955 14.927 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.236 -5.081 15.875 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.540 -3.619 15.137 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.994 -4.364 14.433 1.00 0.00 H new ATOM 807 N ASP A 469 -3.526 -1.785 11.232 1.00 0.00 N ATOM 808 CA ASP A 469 -3.266 -0.561 10.493 1.00 0.00 C ATOM 809 C ASP A 469 -2.070 0.162 11.116 1.00 0.00 C ATOM 810 O ASP A 469 -1.884 0.126 12.331 1.00 0.00 O ATOM 811 CB ASP A 469 -4.469 0.381 10.547 1.00 0.00 C ATOM 812 CG ASP A 469 -4.140 1.862 10.345 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.439 2.706 11.203 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.546 2.142 9.235 1.00 0.00 O ATOM 0 H ASP A 469 -4.423 -1.808 11.717 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.065 -0.830 9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.185 0.076 9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.962 0.262 11.512 1.00 0.00 H new ATOM 820 N GLN A 470 -1.292 0.800 10.257 1.00 0.00 N ATOM 821 CA GLN A 470 -0.120 1.531 10.708 1.00 0.00 C ATOM 822 C GLN A 470 -0.050 2.897 10.026 1.00 0.00 C ATOM 823 O GLN A 470 -0.980 3.293 9.324 1.00 0.00 O ATOM 824 CB GLN A 470 1.158 0.726 10.456 1.00 0.00 C ATOM 825 CG GLN A 470 1.566 -0.059 11.704 1.00 0.00 C ATOM 826 CD GLN A 470 1.620 -1.561 11.413 1.00 0.00 C ATOM 827 OE1 GLN A 470 2.538 -2.066 10.788 1.00 0.00 O ATOM 828 NE2 GLN A 470 0.588 -2.242 11.900 1.00 0.00 N ATOM 0 H GLN A 470 -1.449 0.827 9.250 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.206 1.689 11.783 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.001 0.039 9.625 1.00 0.00 H new ATOM 0 HB3 GLN A 470 1.965 1.399 10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.541 0.283 12.051 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.856 0.134 12.508 1.00 0.00 H new ATOM 0 HE21 GLN A 470 -0.147 -1.756 12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 470 0.531 -3.251 11.760 1.00 0.00 H new ATOM 837 N ILE A 471 1.062 3.582 10.253 1.00 0.00 N ATOM 838 CA ILE A 471 1.265 4.897 9.670 1.00 0.00 C ATOM 839 C ILE A 471 1.435 4.757 8.156 1.00 0.00 C ATOM 840 O ILE A 471 2.344 4.072 7.691 1.00 0.00 O ATOM 841 CB ILE A 471 2.428 5.615 10.355 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.494 4.617 10.815 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.932 6.492 11.505 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.888 3.672 9.678 1.00 0.00 C ATOM 0 H ILE A 471 1.832 3.250 10.833 1.00 0.00 H new ATOM 0 HA ILE A 471 0.391 5.526 9.837 1.00 0.00 H new ATOM 0 HB ILE A 471 2.897 6.276 9.626 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.374 5.156 11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 471 3.116 4.039 11.658 1.00 0.00 H new ATOM 0 HG21 ILE A 471 2.780 6.991 11.974 1.00 0.00 H new ATOM 0 HG22 ILE A 471 1.239 7.240 11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.423 5.871 12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.646 2.974 10.032 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.011 3.117 9.345 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.288 4.251 8.846 1.00 0.00 H new ATOM 856 N GLY A 472 0.545 5.418 7.428 1.00 0.00 N ATOM 857 CA GLY A 472 0.586 5.374 5.976 1.00 0.00 C ATOM 858 C GLY A 472 0.884 3.960 5.477 1.00 0.00 C ATOM 859 O GLY A 472 1.386 3.782 4.368 1.00 0.00 O ATOM 0 H GLY A 472 -0.208 5.986 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.368 5.712 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.349 6.061 5.610 1.00 0.00 H new ATOM 863 N GLU A 473 0.561 2.989 6.320 1.00 0.00 N ATOM 864 CA GLU A 473 0.788 1.595 5.978 1.00 0.00 C ATOM 865 C GLU A 473 0.073 0.681 6.975 1.00 0.00 C ATOM 866 O GLU A 473 -0.166 1.070 8.118 1.00 0.00 O ATOM 867 CB GLU A 473 2.284 1.282 5.921 1.00 0.00 C ATOM 868 CG GLU A 473 2.845 1.028 7.322 1.00 0.00 C ATOM 869 CD GLU A 473 4.339 1.356 7.382 1.00 0.00 C ATOM 870 OE1 GLU A 473 4.773 2.373 6.822 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.057 0.510 8.041 1.00 0.00 O ATOM 0 H GLU A 473 0.144 3.140 7.239 1.00 0.00 H new ATOM 0 HA GLU A 473 0.374 1.412 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.452 0.407 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 473 2.816 2.113 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 473 2.306 1.635 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.686 -0.015 7.598 1.00 0.00 H new ATOM 879 N PHE A 474 -0.246 -0.517 6.508 1.00 0.00 N ATOM 880 CA PHE A 474 -0.928 -1.489 7.344 1.00 0.00 C ATOM 881 C PHE A 474 -0.189 -2.828 7.341 1.00 0.00 C ATOM 882 O PHE A 474 0.579 -3.116 6.426 1.00 0.00 O ATOM 883 CB PHE A 474 -2.323 -1.688 6.751 1.00 0.00 C ATOM 884 CG PHE A 474 -2.355 -2.610 5.530 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.934 -2.149 4.321 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.802 -3.888 5.652 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.963 -3.004 3.186 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.831 -4.742 4.517 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.410 -4.282 3.309 1.00 0.00 C ATOM 0 H PHE A 474 -0.044 -0.836 5.561 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.971 -1.131 8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.978 -2.097 7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.729 -0.716 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.578 -1.134 4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -3.135 -4.254 6.612 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -1.630 -2.638 2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -3.188 -5.757 4.614 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.431 -4.932 2.447 1.00 0.00 H new ATOM 899 N GLN A 475 -0.447 -3.613 8.379 1.00 0.00 N ATOM 900 CA GLN A 475 0.183 -4.915 8.507 1.00 0.00 C ATOM 901 C GLN A 475 -0.818 -5.940 9.043 1.00 0.00 C ATOM 902 O GLN A 475 -1.702 -5.598 9.826 1.00 0.00 O ATOM 903 CB GLN A 475 1.421 -4.838 9.404 1.00 0.00 C ATOM 904 CG GLN A 475 1.100 -5.312 10.823 1.00 0.00 C ATOM 905 CD GLN A 475 1.274 -6.828 10.947 1.00 0.00 C ATOM 906 OE1 GLN A 475 0.131 -7.493 11.084 1.00 0.00 O flip ATOM 907 NE2 GLN A 475 2.373 -7.357 10.922 1.00 0.00 N flip ATOM 0 H GLN A 475 -1.084 -3.371 9.138 1.00 0.00 H new ATOM 0 HA GLN A 475 0.509 -5.238 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.218 -5.451 8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 475 1.790 -3.813 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.753 -4.808 11.535 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.077 -5.038 11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 475 3.211 -6.786 10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.453 -8.370 11.009 1.00 0.00 H new ATOM 916 N CYS A 476 -0.647 -7.176 8.596 1.00 0.00 N ATOM 917 CA CYS A 476 -1.526 -8.253 9.021 1.00 0.00 C ATOM 918 C CYS A 476 -0.673 -9.498 9.271 1.00 0.00 C ATOM 919 O CYS A 476 0.092 -9.916 8.402 1.00 0.00 O ATOM 920 CB CYS A 476 -2.633 -8.516 7.998 1.00 0.00 C ATOM 921 SG CYS A 476 -2.123 -9.524 6.558 1.00 0.00 S ATOM 0 H CYS A 476 0.086 -7.455 7.944 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.033 -7.970 9.943 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.461 -9.017 8.500 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.011 -7.559 7.638 1.00 0.00 H new ATOM 926 N ILE A 477 -0.833 -10.056 10.462 1.00 0.00 N ATOM 927 CA ILE A 477 -0.087 -11.244 10.838 1.00 0.00 C ATOM 928 C ILE A 477 -0.829 -12.486 10.339 1.00 0.00 C ATOM 929 O ILE A 477 -1.941 -12.768 10.783 1.00 0.00 O ATOM 930 CB ILE A 477 0.185 -11.254 12.344 1.00 0.00 C ATOM 931 CG1 ILE A 477 1.256 -10.226 12.714 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.546 -12.659 12.827 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.393 -10.227 11.690 1.00 0.00 C ATOM 0 H ILE A 477 -1.469 -9.707 11.179 1.00 0.00 H new ATOM 0 HA ILE A 477 0.893 -11.244 10.361 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.731 -10.964 12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.810 -9.233 12.766 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.653 -10.449 13.704 1.00 0.00 H new ATOM 0 HG21 ILE A 477 0.734 -12.638 13.900 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -0.279 -13.339 12.617 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.441 -13.003 12.308 1.00 0.00 H new ATOM 0 HD11 ILE A 477 3.141 -9.488 11.976 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.853 -11.215 11.658 1.00 0.00 H new ATOM 0 HD13 ILE A 477 1.996 -9.979 10.705 1.00 0.00 H new ATOM 945 N CYS A 478 -0.184 -13.195 9.426 1.00 0.00 N ATOM 946 CA CYS A 478 -0.769 -14.400 8.861 1.00 0.00 C ATOM 947 C CYS A 478 0.164 -15.575 9.164 1.00 0.00 C ATOM 948 O CYS A 478 1.168 -15.411 9.854 1.00 0.00 O ATOM 949 CB CYS A 478 -1.033 -14.253 7.361 1.00 0.00 C ATOM 950 SG CYS A 478 -0.254 -12.790 6.585 1.00 0.00 S ATOM 0 H CYS A 478 0.739 -12.959 9.062 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.742 -14.582 9.317 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -0.676 -15.149 6.854 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -2.110 -14.203 7.199 1.00 0.00 H new ATOM 955 N MET A 479 -0.203 -16.731 8.633 1.00 0.00 N ATOM 956 CA MET A 479 0.589 -17.932 8.837 1.00 0.00 C ATOM 957 C MET A 479 1.683 -18.055 7.776 1.00 0.00 C ATOM 958 O MET A 479 1.506 -17.612 6.642 1.00 0.00 O ATOM 959 CB MET A 479 -0.322 -19.160 8.777 1.00 0.00 C ATOM 960 CG MET A 479 -1.171 -19.277 10.044 1.00 0.00 C ATOM 961 SD MET A 479 -2.204 -20.731 9.956 1.00 0.00 S ATOM 962 CE MET A 479 -3.580 -20.194 10.959 1.00 0.00 C ATOM 0 H MET A 479 -1.038 -16.862 8.062 1.00 0.00 H new ATOM 0 HA MET A 479 1.065 -17.869 9.816 1.00 0.00 H new ATOM 0 HB2 MET A 479 -0.972 -19.092 7.905 1.00 0.00 H new ATOM 0 HB3 MET A 479 0.282 -20.059 8.656 1.00 0.00 H new ATOM 0 HG2 MET A 479 -0.525 -19.332 10.920 1.00 0.00 H new ATOM 0 HG3 MET A 479 -1.790 -18.388 10.160 1.00 0.00 H new ATOM 0 HE1 MET A 479 -4.325 -20.988 11.010 1.00 0.00 H new ATOM 0 HE2 MET A 479 -3.228 -19.961 11.964 1.00 0.00 H new ATOM 0 HE3 MET A 479 -4.028 -19.305 10.516 1.00 0.00 H new ATOM 972 N PRO A 480 2.821 -18.676 8.192 1.00 0.00 N ATOM 973 CA PRO A 480 3.944 -18.863 7.289 1.00 0.00 C ATOM 974 C PRO A 480 3.660 -19.981 6.285 1.00 0.00 C ATOM 975 O PRO A 480 4.439 -20.926 6.166 1.00 0.00 O ATOM 976 CB PRO A 480 5.128 -19.162 8.193 1.00 0.00 C ATOM 977 CG PRO A 480 4.538 -19.590 9.527 1.00 0.00 C ATOM 978 CD PRO A 480 3.065 -19.213 9.527 1.00 0.00 C ATOM 0 HA PRO A 480 4.141 -17.985 6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 480 5.752 -19.950 7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 480 5.761 -18.283 8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 480 4.657 -20.664 9.670 1.00 0.00 H new ATOM 0 HG3 PRO A 480 5.058 -19.099 10.350 1.00 0.00 H new ATOM 0 HD2 PRO A 480 2.434 -20.079 9.727 1.00 0.00 H new ATOM 0 HD3 PRO A 480 2.845 -18.474 10.298 1.00 0.00 H new ATOM 986 N GLY A 481 2.542 -19.836 5.587 1.00 0.00 N ATOM 987 CA GLY A 481 2.146 -20.823 4.598 1.00 0.00 C ATOM 988 C GLY A 481 1.439 -20.159 3.415 1.00 0.00 C ATOM 989 O GLY A 481 1.683 -20.512 2.262 1.00 0.00 O ATOM 0 H GLY A 481 1.899 -19.050 5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 481 3.025 -21.363 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 481 1.484 -21.557 5.057 1.00 0.00 H new ATOM 993 N TYR A 482 0.574 -19.209 3.741 1.00 0.00 N ATOM 994 CA TYR A 482 -0.172 -18.493 2.721 1.00 0.00 C ATOM 995 C TYR A 482 0.392 -17.086 2.516 1.00 0.00 C ATOM 996 O TYR A 482 1.248 -16.639 3.279 1.00 0.00 O ATOM 997 CB TYR A 482 -1.605 -18.384 3.244 1.00 0.00 C ATOM 998 CG TYR A 482 -2.417 -19.673 3.110 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.091 -19.945 1.937 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -2.476 -20.564 4.163 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -3.856 -21.159 1.811 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -3.240 -21.779 4.036 1.00 0.00 C ATOM 1003 CZ TYR A 482 -3.893 -22.016 2.866 1.00 0.00 C ATOM 1004 OH TYR A 482 -4.615 -23.163 2.746 1.00 0.00 O ATOM 0 H TYR A 482 0.374 -18.919 4.698 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.115 -19.016 1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.576 -18.093 4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.117 -17.587 2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -3.045 -19.248 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -1.950 -20.350 5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -4.388 -21.384 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -3.293 -22.486 4.851 1.00 0.00 H new ATOM 0 HH TYR A 482 -4.550 -23.679 3.577 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.108 -16.427 1.480 1.00 0.00 N ATOM 1015 CA GLU A 483 0.336 -15.080 1.165 1.00 0.00 C ATOM 1016 C GLU A 483 -0.748 -14.333 0.383 1.00 0.00 C ATOM 1017 O GLU A 483 -1.842 -14.856 0.180 1.00 0.00 O ATOM 1018 CB GLU A 483 1.655 -15.105 0.390 1.00 0.00 C ATOM 1019 CG GLU A 483 2.648 -14.094 0.967 1.00 0.00 C ATOM 1020 CD GLU A 483 3.966 -14.118 0.190 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.059 -14.779 -0.855 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.917 -13.415 0.708 1.00 0.00 O ATOM 0 H GLU A 483 -0.816 -16.801 0.848 1.00 0.00 H new ATOM 0 HA GLU A 483 0.513 -14.548 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.085 -16.106 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.469 -14.879 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.217 -13.093 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 483 2.836 -14.321 2.016 1.00 0.00 H new ATOM 1030 N GLY A 484 -0.403 -13.124 -0.034 1.00 0.00 N ATOM 1031 CA GLY A 484 -1.333 -12.303 -0.791 1.00 0.00 C ATOM 1032 C GLY A 484 -1.845 -11.136 0.056 1.00 0.00 C ATOM 1033 O GLY A 484 -1.439 -10.972 1.206 1.00 0.00 O ATOM 0 H GLY A 484 0.506 -12.694 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.842 -11.920 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -2.173 -12.912 -1.125 1.00 0.00 H new ATOM 1037 N VAL A 485 -2.731 -10.355 -0.544 1.00 0.00 N ATOM 1038 CA VAL A 485 -3.304 -9.209 0.141 1.00 0.00 C ATOM 1039 C VAL A 485 -4.289 -9.695 1.206 1.00 0.00 C ATOM 1040 O VAL A 485 -4.558 -8.990 2.177 1.00 0.00 O ATOM 1041 CB VAL A 485 -3.944 -8.259 -0.874 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -5.470 -8.364 -0.837 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -3.487 -6.818 -0.639 1.00 0.00 C ATOM 0 H VAL A 485 -3.066 -10.493 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 485 -2.526 -8.643 0.652 1.00 0.00 H new ATOM 0 HB VAL A 485 -3.612 -8.558 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -5.900 -7.679 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -5.770 -9.384 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -5.829 -8.104 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -3.956 -6.163 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -3.776 -6.504 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -2.403 -6.759 -0.740 1.00 0.00 H new ATOM 1053 N HIS A 486 -4.800 -10.899 0.988 1.00 0.00 N ATOM 1054 CA HIS A 486 -5.749 -11.489 1.917 1.00 0.00 C ATOM 1055 C HIS A 486 -5.051 -12.570 2.745 1.00 0.00 C ATOM 1056 O HIS A 486 -5.689 -13.249 3.549 1.00 0.00 O ATOM 1057 CB HIS A 486 -6.981 -12.012 1.177 1.00 0.00 C ATOM 1058 CG HIS A 486 -7.726 -10.952 0.402 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -7.746 -9.595 0.539 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -8.573 -11.251 -0.652 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -8.560 -9.092 -0.382 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -9.073 -10.117 -1.121 1.00 0.00 N flip ATOM 0 H HIS A 486 -4.574 -11.481 0.182 1.00 0.00 H new ATOM 0 HA HIS A 486 -6.109 -10.727 2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -6.673 -12.800 0.490 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -7.661 -12.465 1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -8.789 -12.240 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -8.780 -8.044 -0.523 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -9.727 -10.027 -1.899 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.752 -12.696 2.521 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.961 -13.683 3.236 1.00 0.00 C ATOM 1072 C CYS A 487 -3.678 -15.030 3.146 1.00 0.00 C ATOM 1073 O CYS A 487 -3.477 -15.904 3.988 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.712 -13.264 4.687 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.198 -12.272 4.950 1.00 0.00 S ATOM 0 H CYS A 487 -3.227 -12.131 1.854 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.976 -13.766 2.776 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.570 -12.691 5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.654 -14.160 5.304 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.502 -15.159 2.116 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.251 -16.386 1.903 1.00 0.00 C ATOM 1082 C GLU A 488 -4.801 -17.066 0.608 1.00 0.00 C ATOM 1083 O GLU A 488 -5.406 -18.045 0.175 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.756 -16.113 1.886 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.184 -15.486 0.558 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.146 -16.406 -0.198 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.155 -17.623 0.041 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -8.902 -15.815 -1.059 1.00 0.00 O ATOM 0 H GLU A 488 -4.667 -14.433 1.419 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.047 -17.062 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.300 -17.044 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -7.018 -15.447 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -7.664 -14.525 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -6.305 -15.290 -0.056 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.744 -16.517 0.027 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.207 -17.059 -1.210 1.00 0.00 C ATOM 1098 C VAL A 489 -2.179 -18.143 -0.883 1.00 0.00 C ATOM 1099 O VAL A 489 -1.142 -17.860 -0.286 1.00 0.00 O ATOM 1100 CB VAL A 489 -2.633 -15.930 -2.070 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.412 -16.396 -3.510 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -3.535 -14.694 -2.025 1.00 0.00 C ATOM 0 H VAL A 489 -3.246 -15.704 0.389 1.00 0.00 H new ATOM 0 HA VAL A 489 -3.997 -17.527 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 489 -1.664 -15.652 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.004 -15.575 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -1.712 -17.232 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -3.362 -16.714 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -3.105 -13.907 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -4.525 -14.952 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -3.619 -14.342 -0.997 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.501 -19.362 -1.291 1.00 0.00 N ATOM 1113 CA ASN A 490 -1.618 -20.490 -1.049 1.00 0.00 C ATOM 1114 C ASN A 490 -0.339 -20.315 -1.866 1.00 0.00 C ATOM 1115 O ASN A 490 -0.378 -19.815 -2.990 1.00 0.00 O ATOM 1116 CB ASN A 490 -2.275 -21.805 -1.474 1.00 0.00 C ATOM 1117 CG ASN A 490 -1.363 -22.996 -1.173 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -0.702 -23.540 -2.043 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -1.366 -23.370 0.102 1.00 0.00 N ATOM 0 H ASN A 490 -3.361 -19.593 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.400 -20.524 0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -3.223 -21.927 -0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -2.500 -21.775 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -0.791 -24.157 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -1.943 -22.870 0.779 1.00 0.00 H new ATOM 1126 N THR A 491 0.768 -20.736 -1.272 1.00 0.00 N ATOM 1127 CA THR A 491 2.060 -20.632 -1.930 1.00 0.00 C ATOM 1128 C THR A 491 1.919 -20.916 -3.428 1.00 0.00 C ATOM 1129 O THR A 491 0.963 -21.565 -3.853 1.00 0.00 O ATOM 1130 CB THR A 491 3.030 -21.577 -1.222 1.00 0.00 C ATOM 1131 OG1 THR A 491 3.471 -20.834 -0.087 1.00 0.00 O ATOM 1132 CG2 THR A 491 4.308 -21.817 -2.028 1.00 0.00 C ATOM 0 H THR A 491 0.797 -21.151 -0.341 1.00 0.00 H new ATOM 0 HA THR A 491 2.460 -19.621 -1.858 1.00 0.00 H new ATOM 0 HB THR A 491 2.536 -22.530 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 491 2.765 -20.824 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 491 4.962 -22.495 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 491 4.053 -22.259 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 491 4.821 -20.869 -2.188 1.00 0.00 H new ATOM 1140 N ASP A 492 2.883 -20.418 -4.186 1.00 0.00 N ATOM 1141 CA ASP A 492 2.879 -20.612 -5.626 1.00 0.00 C ATOM 1142 C ASP A 492 3.039 -22.101 -5.937 1.00 0.00 C ATOM 1143 O ASP A 492 3.316 -22.899 -5.043 1.00 0.00 O ATOM 1144 CB ASP A 492 4.038 -19.863 -6.286 1.00 0.00 C ATOM 1145 CG ASP A 492 3.668 -19.080 -7.547 1.00 0.00 C ATOM 1146 OD1 ASP A 492 3.176 -17.944 -7.472 1.00 0.00 O ATOM 1147 OD2 ASP A 492 3.908 -19.691 -8.658 1.00 0.00 O ATOM 0 H ASP A 492 3.673 -19.880 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 492 1.935 -20.230 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 492 4.464 -19.171 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 492 4.818 -20.581 -6.538 1.00 0.00 H new ATOM 1153 N GLU A 493 2.859 -22.430 -7.208 1.00 0.00 N ATOM 1154 CA GLU A 493 2.981 -23.810 -7.648 1.00 0.00 C ATOM 1155 C GLU A 493 3.480 -23.864 -9.094 1.00 0.00 C ATOM 1156 O GLU A 493 3.310 -24.873 -9.775 1.00 0.00 O ATOM 1157 CB GLU A 493 1.652 -24.553 -7.498 1.00 0.00 C ATOM 1158 CG GLU A 493 1.709 -25.550 -6.341 1.00 0.00 C ATOM 1159 CD GLU A 493 0.922 -25.036 -5.134 1.00 0.00 C ATOM 1160 OE1 GLU A 493 1.456 -24.248 -4.337 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -0.284 -25.482 -5.038 1.00 0.00 O ATOM 0 H GLU A 493 2.630 -21.765 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 493 3.712 -24.310 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 493 0.848 -23.837 -7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 493 1.418 -25.078 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 493 1.303 -26.509 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 493 2.747 -25.723 -6.056 1.00 0.00 H new ATOM 1169 N CYS A 494 4.087 -22.765 -9.517 1.00 0.00 N ATOM 1170 CA CYS A 494 4.611 -22.675 -10.870 1.00 0.00 C ATOM 1171 C CYS A 494 6.138 -22.733 -10.797 1.00 0.00 C ATOM 1172 O CYS A 494 6.827 -22.071 -11.573 1.00 0.00 O ATOM 1173 CB CYS A 494 4.122 -21.412 -11.583 1.00 0.00 C ATOM 1174 SG CYS A 494 5.068 -19.895 -11.195 1.00 0.00 S ATOM 0 H CYS A 494 4.228 -21.930 -8.948 1.00 0.00 H new ATOM 0 HA CYS A 494 4.243 -23.513 -11.462 1.00 0.00 H new ATOM 0 HB2 CYS A 494 4.160 -21.582 -12.659 1.00 0.00 H new ATOM 0 HB3 CYS A 494 3.076 -21.247 -11.323 1.00 0.00 H new ATOM 1179 N ALA A 495 6.624 -23.532 -9.858 1.00 0.00 N ATOM 1180 CA ALA A 495 8.058 -23.686 -9.675 1.00 0.00 C ATOM 1181 C ALA A 495 8.621 -24.554 -10.802 1.00 0.00 C ATOM 1182 O ALA A 495 9.828 -24.564 -11.036 1.00 0.00 O ATOM 1183 CB ALA A 495 8.334 -24.274 -8.290 1.00 0.00 C ATOM 0 H ALA A 495 6.051 -24.079 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 495 8.559 -22.719 -9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 495 9.409 -24.390 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 495 7.940 -23.605 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 495 7.850 -25.247 -8.205 1.00 0.00 H new ATOM 1189 N SER A 496 7.721 -25.260 -11.468 1.00 0.00 N ATOM 1190 CA SER A 496 8.114 -26.130 -12.564 1.00 0.00 C ATOM 1191 C SER A 496 8.188 -25.329 -13.866 1.00 0.00 C ATOM 1192 O SER A 496 9.274 -25.100 -14.395 1.00 0.00 O ATOM 1193 CB SER A 496 7.139 -27.300 -12.715 1.00 0.00 C ATOM 1194 OG SER A 496 7.789 -28.558 -12.558 1.00 0.00 O ATOM 0 H SER A 496 6.720 -25.248 -11.271 1.00 0.00 H new ATOM 0 HA SER A 496 9.099 -26.540 -12.340 1.00 0.00 H new ATOM 0 HB2 SER A 496 6.344 -27.208 -11.975 1.00 0.00 H new ATOM 0 HB3 SER A 496 6.668 -27.255 -13.697 1.00 0.00 H new ATOM 0 HG SER A 496 7.134 -29.280 -12.659 1.00 0.00 H new ATOM 1200 N SER A 497 7.020 -24.928 -14.343 1.00 0.00 N ATOM 1201 CA SER A 497 6.939 -24.157 -15.572 1.00 0.00 C ATOM 1202 C SER A 497 6.168 -22.858 -15.327 1.00 0.00 C ATOM 1203 O SER A 497 4.940 -22.844 -15.363 1.00 0.00 O ATOM 1204 CB SER A 497 6.271 -24.967 -16.686 1.00 0.00 C ATOM 1205 OG SER A 497 7.227 -25.613 -17.523 1.00 0.00 O ATOM 0 H SER A 497 6.121 -25.122 -13.901 1.00 0.00 H new ATOM 0 HA SER A 497 7.953 -23.915 -15.891 1.00 0.00 H new ATOM 0 HB2 SER A 497 5.611 -25.714 -16.245 1.00 0.00 H new ATOM 0 HB3 SER A 497 5.647 -24.308 -17.290 1.00 0.00 H new ATOM 0 HG SER A 497 6.761 -26.121 -18.220 1.00 0.00 H new ATOM 1211 N PRO A 498 6.944 -21.769 -15.077 1.00 0.00 N ATOM 1212 CA PRO A 498 6.349 -20.468 -14.825 1.00 0.00 C ATOM 1213 C PRO A 498 5.829 -19.842 -16.121 1.00 0.00 C ATOM 1214 O PRO A 498 4.907 -19.029 -16.095 1.00 0.00 O ATOM 1215 CB PRO A 498 7.451 -19.650 -14.171 1.00 0.00 C ATOM 1216 CG PRO A 498 8.752 -20.364 -14.502 1.00 0.00 C ATOM 1217 CD PRO A 498 8.403 -21.748 -15.026 1.00 0.00 C ATOM 0 HA PRO A 498 5.475 -20.525 -14.176 1.00 0.00 H new ATOM 0 HB2 PRO A 498 7.458 -18.629 -14.552 1.00 0.00 H new ATOM 0 HB3 PRO A 498 7.303 -19.587 -13.093 1.00 0.00 H new ATOM 0 HG2 PRO A 498 9.316 -19.804 -15.248 1.00 0.00 H new ATOM 0 HG3 PRO A 498 9.383 -20.439 -13.616 1.00 0.00 H new ATOM 0 HD2 PRO A 498 8.836 -21.919 -16.012 1.00 0.00 H new ATOM 0 HD3 PRO A 498 8.787 -22.528 -14.369 1.00 0.00 H new ATOM 1225 N CYS A 499 6.444 -20.245 -17.223 1.00 0.00 N ATOM 1226 CA CYS A 499 6.055 -19.736 -18.527 1.00 0.00 C ATOM 1227 C CYS A 499 5.801 -18.233 -18.397 1.00 0.00 C ATOM 1228 O CYS A 499 4.653 -17.791 -18.401 1.00 0.00 O ATOM 1229 CB CYS A 499 4.836 -20.475 -19.083 1.00 0.00 C ATOM 1230 SG CYS A 499 4.001 -21.584 -17.892 1.00 0.00 S ATOM 0 H CYS A 499 7.210 -20.919 -17.240 1.00 0.00 H new ATOM 0 HA CYS A 499 6.859 -19.908 -19.243 1.00 0.00 H new ATOM 0 HB2 CYS A 499 4.115 -19.740 -19.440 1.00 0.00 H new ATOM 0 HB3 CYS A 499 5.148 -21.062 -19.947 1.00 0.00 H new ATOM 1235 N LEU A 500 6.891 -17.488 -18.288 1.00 0.00 N ATOM 1236 CA LEU A 500 6.802 -16.044 -18.158 1.00 0.00 C ATOM 1237 C LEU A 500 6.955 -15.401 -19.538 1.00 0.00 C ATOM 1238 O LEU A 500 7.427 -16.042 -20.477 1.00 0.00 O ATOM 1239 CB LEU A 500 7.811 -15.534 -17.127 1.00 0.00 C ATOM 1240 CG LEU A 500 7.473 -15.819 -15.661 1.00 0.00 C ATOM 1241 CD1 LEU A 500 8.650 -15.467 -14.750 1.00 0.00 C ATOM 1242 CD2 LEU A 500 6.190 -15.100 -15.244 1.00 0.00 C ATOM 0 H LEU A 500 7.842 -17.858 -18.287 1.00 0.00 H new ATOM 0 HA LEU A 500 5.821 -15.757 -17.779 1.00 0.00 H new ATOM 0 HB2 LEU A 500 8.782 -15.977 -17.348 1.00 0.00 H new ATOM 0 HB3 LEU A 500 7.916 -14.456 -17.252 1.00 0.00 H new ATOM 0 HG LEU A 500 7.291 -16.888 -15.554 1.00 0.00 H new ATOM 0 HD11 LEU A 500 8.384 -15.679 -13.714 1.00 0.00 H new ATOM 0 HD12 LEU A 500 9.518 -16.063 -15.031 1.00 0.00 H new ATOM 0 HD13 LEU A 500 8.887 -14.408 -14.855 1.00 0.00 H new ATOM 0 HD21 LEU A 500 5.973 -15.320 -14.199 1.00 0.00 H new ATOM 0 HD22 LEU A 500 6.318 -14.025 -15.370 1.00 0.00 H new ATOM 0 HD23 LEU A 500 5.363 -15.442 -15.866 1.00 0.00 H new ATOM 1254 N HIS A 501 6.548 -14.142 -19.618 1.00 0.00 N ATOM 1255 CA HIS A 501 6.636 -13.407 -20.869 1.00 0.00 C ATOM 1256 C HIS A 501 5.634 -13.981 -21.873 1.00 0.00 C ATOM 1257 O HIS A 501 4.748 -13.270 -22.348 1.00 0.00 O ATOM 1258 CB HIS A 501 8.070 -13.404 -21.398 1.00 0.00 C ATOM 1259 CG HIS A 501 8.896 -12.230 -20.929 1.00 0.00 C ATOM 1260 ND1 HIS A 501 9.541 -11.371 -21.800 1.00 0.00 N ATOM 1261 CD2 HIS A 501 9.175 -11.783 -19.670 1.00 0.00 C ATOM 1262 CE1 HIS A 501 10.176 -10.451 -21.087 1.00 0.00 C ATOM 1263 NE2 HIS A 501 9.948 -10.709 -19.767 1.00 0.00 N ATOM 0 H HIS A 501 6.157 -13.613 -18.838 1.00 0.00 H new ATOM 0 HA HIS A 501 6.371 -12.363 -20.701 1.00 0.00 H new ATOM 0 HB2 HIS A 501 8.562 -14.327 -21.090 1.00 0.00 H new ATOM 0 HB3 HIS A 501 8.044 -13.405 -22.488 1.00 0.00 H new ATOM 0 HD2 HIS A 501 8.826 -12.228 -18.750 1.00 0.00 H new ATOM 0 HE1 HIS A 501 10.770 -9.640 -21.482 1.00 0.00 H new ATOM 0 HE2 HIS A 501 10.312 -10.166 -18.984 1.00 0.00 H new ATOM 1271 N ASN A 502 5.807 -15.261 -22.166 1.00 0.00 N ATOM 1272 CA ASN A 502 4.929 -15.939 -23.105 1.00 0.00 C ATOM 1273 C ASN A 502 3.680 -16.427 -22.368 1.00 0.00 C ATOM 1274 O ASN A 502 2.772 -16.985 -22.982 1.00 0.00 O ATOM 1275 CB ASN A 502 5.618 -17.158 -23.724 1.00 0.00 C ATOM 1276 CG ASN A 502 5.515 -17.130 -25.249 1.00 0.00 C ATOM 1277 OD1 ASN A 502 6.502 -17.066 -25.964 1.00 0.00 O ATOM 1278 ND2 ASN A 502 4.268 -17.182 -25.708 1.00 0.00 N ATOM 0 H ASN A 502 6.542 -15.847 -21.770 1.00 0.00 H new ATOM 0 HA ASN A 502 4.670 -15.232 -23.893 1.00 0.00 H new ATOM 0 HB2 ASN A 502 6.667 -17.177 -23.427 1.00 0.00 H new ATOM 0 HB3 ASN A 502 5.162 -18.071 -23.342 1.00 0.00 H new ATOM 0 HD21 ASN A 502 4.093 -17.169 -26.713 1.00 0.00 H new ATOM 0 HD22 ASN A 502 3.486 -17.235 -25.055 1.00 0.00 H new ATOM 1285 N GLY A 503 3.674 -16.197 -21.063 1.00 0.00 N ATOM 1286 CA GLY A 503 2.551 -16.606 -20.237 1.00 0.00 C ATOM 1287 C GLY A 503 2.706 -16.087 -18.807 1.00 0.00 C ATOM 1288 O GLY A 503 3.757 -15.560 -18.444 1.00 0.00 O ATOM 0 H GLY A 503 4.429 -15.733 -20.558 1.00 0.00 H new ATOM 0 HA2 GLY A 503 1.623 -16.229 -20.666 1.00 0.00 H new ATOM 0 HA3 GLY A 503 2.479 -17.694 -20.227 1.00 0.00 H new ATOM 1292 N ARG A 504 1.645 -16.254 -18.032 1.00 0.00 N ATOM 1293 CA ARG A 504 1.649 -15.810 -16.648 1.00 0.00 C ATOM 1294 C ARG A 504 1.188 -16.939 -15.725 1.00 0.00 C ATOM 1295 O ARG A 504 0.034 -17.362 -15.787 1.00 0.00 O ATOM 1296 CB ARG A 504 0.736 -14.597 -16.457 1.00 0.00 C ATOM 1297 CG ARG A 504 1.188 -13.753 -15.263 1.00 0.00 C ATOM 1298 CD ARG A 504 -0.012 -13.148 -14.534 1.00 0.00 C ATOM 1299 NE ARG A 504 0.402 -12.652 -13.201 1.00 0.00 N ATOM 1300 CZ ARG A 504 0.993 -11.457 -12.989 1.00 0.00 C ATOM 1301 NH1 ARG A 504 1.244 -10.623 -14.021 1.00 0.00 N ATOM 1302 NH2 ARG A 504 1.322 -11.116 -11.757 1.00 0.00 N ATOM 0 H ARG A 504 0.775 -16.691 -18.336 1.00 0.00 H new ATOM 0 HA ARG A 504 2.670 -15.526 -16.394 1.00 0.00 H new ATOM 0 HB2 ARG A 504 0.741 -13.987 -17.361 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -0.290 -14.930 -16.304 1.00 0.00 H new ATOM 0 HG2 ARG A 504 1.763 -14.371 -14.573 1.00 0.00 H new ATOM 0 HG3 ARG A 504 1.849 -12.957 -15.605 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -0.430 -12.331 -15.121 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -0.797 -13.896 -14.425 1.00 0.00 H new ATOM 0 HE ARG A 504 0.230 -13.251 -12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 504 0.987 -10.894 -14.970 1.00 0.00 H new ATOM 0 HH12 ARG A 504 1.691 -9.722 -13.851 1.00 0.00 H new ATOM 0 HH21 ARG A 504 1.129 -11.752 -10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 504 1.769 -10.217 -11.579 1.00 0.00 H new ATOM 1315 N CYS A 505 2.110 -17.396 -14.893 1.00 0.00 N ATOM 1316 CA CYS A 505 1.813 -18.467 -13.959 1.00 0.00 C ATOM 1317 C CYS A 505 0.945 -17.898 -12.834 1.00 0.00 C ATOM 1318 O CYS A 505 1.353 -16.964 -12.143 1.00 0.00 O ATOM 1319 CB CYS A 505 3.087 -19.120 -13.422 1.00 0.00 C ATOM 1320 SG CYS A 505 3.719 -18.401 -11.863 1.00 0.00 S ATOM 0 H CYS A 505 3.066 -17.043 -14.846 1.00 0.00 H new ATOM 0 HA CYS A 505 1.267 -19.258 -14.473 1.00 0.00 H new ATOM 0 HB2 CYS A 505 2.896 -20.182 -13.265 1.00 0.00 H new ATOM 0 HB3 CYS A 505 3.865 -19.045 -14.182 1.00 0.00 H new ATOM 1325 N LEU A 506 -0.235 -18.482 -12.686 1.00 0.00 N ATOM 1326 CA LEU A 506 -1.163 -18.044 -11.657 1.00 0.00 C ATOM 1327 C LEU A 506 -1.083 -18.998 -10.465 1.00 0.00 C ATOM 1328 O LEU A 506 -1.125 -20.217 -10.635 1.00 0.00 O ATOM 1329 CB LEU A 506 -2.572 -17.898 -12.235 1.00 0.00 C ATOM 1330 CG LEU A 506 -3.216 -16.518 -12.090 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -2.496 -15.482 -12.956 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -4.714 -16.577 -12.394 1.00 0.00 C ATOM 0 H LEU A 506 -0.570 -19.255 -13.261 1.00 0.00 H new ATOM 0 HA LEU A 506 -0.889 -17.054 -11.292 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -2.537 -18.151 -13.295 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -3.219 -18.631 -11.753 1.00 0.00 H new ATOM 0 HG LEU A 506 -3.110 -16.200 -11.053 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -2.974 -14.510 -12.834 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -1.452 -15.414 -12.650 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -2.548 -15.783 -14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -5.147 -15.583 -12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -4.864 -16.927 -13.415 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -5.199 -17.263 -11.700 1.00 0.00 H new ATOM 1344 N ASP A 507 -0.967 -18.411 -9.283 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.880 -19.194 -8.062 1.00 0.00 C ATOM 1346 C ASP A 507 -2.271 -19.306 -7.434 1.00 0.00 C ATOM 1347 O ASP A 507 -2.661 -18.467 -6.625 1.00 0.00 O ATOM 1348 CB ASP A 507 0.045 -18.524 -7.044 1.00 0.00 C ATOM 1349 CG ASP A 507 -0.168 -18.960 -5.593 1.00 0.00 C ATOM 1350 OD1 ASP A 507 0.000 -18.166 -4.656 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -0.528 -20.190 -5.439 1.00 0.00 O ATOM 0 H ASP A 507 -0.931 -17.401 -9.145 1.00 0.00 H new ATOM 0 HA ASP A 507 -0.484 -20.177 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 507 1.078 -18.732 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.091 -17.444 -7.107 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.980 -20.353 -7.832 1.00 0.00 N ATOM 1358 CA LYS A 508 -4.320 -20.588 -7.318 1.00 0.00 C ATOM 1359 C LYS A 508 -4.228 -21.365 -6.003 1.00 0.00 C ATOM 1360 O LYS A 508 -3.270 -22.103 -5.782 1.00 0.00 O ATOM 1361 CB LYS A 508 -5.188 -21.269 -8.376 1.00 0.00 C ATOM 1362 CG LYS A 508 -5.241 -20.438 -9.660 1.00 0.00 C ATOM 1363 CD LYS A 508 -6.678 -20.024 -9.986 1.00 0.00 C ATOM 1364 CE LYS A 508 -6.741 -19.254 -11.307 1.00 0.00 C ATOM 1365 NZ LYS A 508 -8.072 -19.407 -11.934 1.00 0.00 N ATOM 0 H LYS A 508 -2.653 -21.047 -8.504 1.00 0.00 H new ATOM 0 HA LYS A 508 -4.814 -19.642 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.790 -22.259 -8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -6.197 -21.410 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -4.619 -19.550 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -4.828 -21.014 -10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -7.310 -20.910 -10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -7.073 -19.405 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -6.536 -18.198 -11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -5.969 -19.619 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -8.097 -18.878 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -8.254 -20.414 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -8.802 -19.037 -11.293 1.00 0.00 H new ATOM 1378 N ILE A 509 -5.238 -21.173 -5.168 1.00 0.00 N ATOM 1379 CA ILE A 509 -5.283 -21.848 -3.881 1.00 0.00 C ATOM 1380 C ILE A 509 -5.530 -23.341 -4.102 1.00 0.00 C ATOM 1381 O ILE A 509 -6.549 -23.876 -3.669 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.312 -21.184 -2.965 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.694 -21.152 -3.623 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -5.849 -19.789 -2.539 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -8.660 -22.103 -2.914 1.00 0.00 C ATOM 0 H ILE A 509 -6.031 -20.560 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 509 -4.326 -21.755 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 509 -6.400 -21.785 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -8.091 -20.137 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -7.608 -21.432 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.599 -19.340 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -4.903 -19.868 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.714 -19.165 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.634 -22.061 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -8.272 -23.120 -2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -8.763 -21.806 -1.870 1.00 0.00 H new ATOM 1397 N ASN A 510 -4.579 -23.971 -4.776 1.00 0.00 N ATOM 1398 CA ASN A 510 -4.680 -25.394 -5.060 1.00 0.00 C ATOM 1399 C ASN A 510 -3.569 -25.795 -6.031 1.00 0.00 C ATOM 1400 O ASN A 510 -2.696 -26.592 -5.687 1.00 0.00 O ATOM 1401 CB ASN A 510 -6.022 -25.731 -5.712 1.00 0.00 C ATOM 1402 CG ASN A 510 -6.688 -26.919 -5.014 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -6.985 -26.889 -3.831 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -6.905 -27.963 -5.810 1.00 0.00 N ATOM 0 H ASN A 510 -3.735 -23.523 -5.134 1.00 0.00 H new ATOM 0 HA ASN A 510 -4.591 -25.934 -4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -6.680 -24.863 -5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -5.870 -25.962 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -7.345 -28.805 -5.438 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -6.631 -27.921 -6.792 1.00 0.00 H new ATOM 1411 N GLU A 511 -3.635 -25.225 -7.227 1.00 0.00 N ATOM 1412 CA GLU A 511 -2.645 -25.515 -8.249 1.00 0.00 C ATOM 1413 C GLU A 511 -2.269 -24.236 -9.001 1.00 0.00 C ATOM 1414 O GLU A 511 -2.803 -23.165 -8.715 1.00 0.00 O ATOM 1415 CB GLU A 511 -3.151 -26.589 -9.213 1.00 0.00 C ATOM 1416 CG GLU A 511 -2.239 -27.819 -9.192 1.00 0.00 C ATOM 1417 CD GLU A 511 -2.198 -28.493 -10.565 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -1.397 -28.097 -11.426 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -3.033 -29.462 -10.721 1.00 0.00 O ATOM 0 H GLU A 511 -4.359 -24.564 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 511 -1.751 -25.903 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -4.165 -26.879 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -3.197 -26.183 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -1.232 -27.525 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -2.596 -28.528 -8.445 1.00 0.00 H new ATOM 1427 N PHE A 512 -1.355 -24.390 -9.946 1.00 0.00 N ATOM 1428 CA PHE A 512 -0.901 -23.262 -10.740 1.00 0.00 C ATOM 1429 C PHE A 512 -1.488 -23.315 -12.153 1.00 0.00 C ATOM 1430 O PHE A 512 -1.667 -24.395 -12.714 1.00 0.00 O ATOM 1431 CB PHE A 512 0.622 -23.360 -10.832 1.00 0.00 C ATOM 1432 CG PHE A 512 1.136 -23.843 -12.189 1.00 0.00 C ATOM 1433 CD1 PHE A 512 0.999 -23.053 -13.288 1.00 0.00 C ATOM 1434 CD2 PHE A 512 1.731 -25.061 -12.298 1.00 0.00 C ATOM 1435 CE1 PHE A 512 1.475 -23.499 -14.548 1.00 0.00 C ATOM 1436 CE2 PHE A 512 2.206 -25.508 -13.559 1.00 0.00 C ATOM 1437 CZ PHE A 512 2.069 -24.718 -14.657 1.00 0.00 C ATOM 0 H PHE A 512 -0.916 -25.280 -10.180 1.00 0.00 H new ATOM 0 HA PHE A 512 -1.221 -22.329 -10.275 1.00 0.00 H new ATOM 0 HB2 PHE A 512 1.052 -22.381 -10.620 1.00 0.00 H new ATOM 0 HB3 PHE A 512 0.979 -24.039 -10.058 1.00 0.00 H new ATOM 0 HD1 PHE A 512 0.527 -22.085 -13.201 1.00 0.00 H new ATOM 0 HD2 PHE A 512 1.842 -25.688 -11.426 1.00 0.00 H new ATOM 0 HE1 PHE A 512 1.366 -22.871 -15.420 1.00 0.00 H new ATOM 0 HE2 PHE A 512 2.676 -26.476 -13.646 1.00 0.00 H new ATOM 0 HZ PHE A 512 2.432 -25.058 -15.616 1.00 0.00 H new ATOM 1447 N GLN A 513 -1.772 -22.136 -12.687 1.00 0.00 N ATOM 1448 CA GLN A 513 -2.335 -22.035 -14.023 1.00 0.00 C ATOM 1449 C GLN A 513 -1.607 -20.953 -14.824 1.00 0.00 C ATOM 1450 O GLN A 513 -1.639 -19.778 -14.460 1.00 0.00 O ATOM 1451 CB GLN A 513 -3.838 -21.756 -13.964 1.00 0.00 C ATOM 1452 CG GLN A 513 -4.597 -22.645 -14.952 1.00 0.00 C ATOM 1453 CD GLN A 513 -5.978 -22.061 -15.264 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -6.970 -22.373 -14.627 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -5.985 -21.197 -16.275 1.00 0.00 N ATOM 0 H GLN A 513 -1.623 -21.242 -12.219 1.00 0.00 H new ATOM 0 HA GLN A 513 -2.196 -22.990 -14.529 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -4.205 -21.933 -12.953 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -4.027 -20.707 -14.193 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.023 -22.744 -15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.707 -23.646 -14.536 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -5.118 -20.980 -16.766 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -6.857 -20.751 -16.559 1.00 0.00 H new ATOM 1464 N CYS A 514 -0.969 -21.387 -15.901 1.00 0.00 N ATOM 1465 CA CYS A 514 -0.235 -20.471 -16.757 1.00 0.00 C ATOM 1466 C CYS A 514 -1.215 -19.866 -17.765 1.00 0.00 C ATOM 1467 O CYS A 514 -1.613 -20.528 -18.723 1.00 0.00 O ATOM 1468 CB CYS A 514 0.941 -21.163 -17.450 1.00 0.00 C ATOM 1469 SG CYS A 514 2.594 -20.575 -16.926 1.00 0.00 S ATOM 0 H CYS A 514 -0.945 -22.362 -16.200 1.00 0.00 H new ATOM 0 HA CYS A 514 0.201 -19.676 -16.153 1.00 0.00 H new ATOM 0 HB2 CYS A 514 0.876 -22.235 -17.262 1.00 0.00 H new ATOM 0 HB3 CYS A 514 0.845 -21.021 -18.526 1.00 0.00 H new ATOM 1474 N GLU A 515 -1.575 -18.616 -17.514 1.00 0.00 N ATOM 1475 CA GLU A 515 -2.501 -17.915 -18.388 1.00 0.00 C ATOM 1476 C GLU A 515 -1.736 -17.167 -19.481 1.00 0.00 C ATOM 1477 O GLU A 515 -0.653 -17.590 -19.887 1.00 0.00 O ATOM 1478 CB GLU A 515 -3.392 -16.959 -17.590 1.00 0.00 C ATOM 1479 CG GLU A 515 -2.598 -15.741 -17.113 1.00 0.00 C ATOM 1480 CD GLU A 515 -3.330 -14.443 -17.455 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -3.867 -14.308 -18.566 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -3.332 -13.554 -16.520 1.00 0.00 O ATOM 0 H GLU A 515 -1.243 -18.071 -16.719 1.00 0.00 H new ATOM 0 HA GLU A 515 -3.149 -18.651 -18.864 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -4.228 -16.633 -18.209 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -3.815 -17.481 -16.732 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -2.443 -15.802 -16.036 1.00 0.00 H new ATOM 0 HG3 GLU A 515 -1.612 -15.740 -17.578 1.00 0.00 H new ATOM 1490 N CYS A 516 -2.327 -16.068 -19.927 1.00 0.00 N ATOM 1491 CA CYS A 516 -1.714 -15.257 -20.966 1.00 0.00 C ATOM 1492 C CYS A 516 -0.997 -14.083 -20.297 1.00 0.00 C ATOM 1493 O CYS A 516 -1.428 -13.601 -19.250 1.00 0.00 O ATOM 1494 CB CYS A 516 -2.742 -14.785 -21.996 1.00 0.00 C ATOM 1495 SG CYS A 516 -2.425 -13.124 -22.694 1.00 0.00 S ATOM 0 H CYS A 516 -3.224 -15.720 -19.588 1.00 0.00 H new ATOM 0 HA CYS A 516 -0.991 -15.856 -21.520 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -2.774 -15.506 -22.813 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -3.728 -14.786 -21.531 1.00 0.00 H new ATOM 0 HG CYS A 516 -1.781 -12.404 -21.824 1.00 0.00 H new ATOM 1500 N PRO A 517 0.115 -13.643 -20.945 1.00 0.00 N ATOM 1501 CA PRO A 517 0.896 -12.535 -20.426 1.00 0.00 C ATOM 1502 C PRO A 517 0.186 -11.201 -20.669 1.00 0.00 C ATOM 1503 O PRO A 517 -0.536 -11.050 -21.653 1.00 0.00 O ATOM 1504 CB PRO A 517 2.237 -12.632 -21.134 1.00 0.00 C ATOM 1505 CG PRO A 517 2.000 -13.502 -22.358 1.00 0.00 C ATOM 1506 CD PRO A 517 0.656 -14.190 -22.186 1.00 0.00 C ATOM 0 HA PRO A 517 1.027 -12.584 -19.345 1.00 0.00 H new ATOM 0 HB2 PRO A 517 2.600 -11.645 -21.421 1.00 0.00 H new ATOM 0 HB3 PRO A 517 2.992 -13.072 -20.482 1.00 0.00 H new ATOM 0 HG2 PRO A 517 2.006 -12.896 -23.264 1.00 0.00 H new ATOM 0 HG3 PRO A 517 2.796 -14.239 -22.462 1.00 0.00 H new ATOM 0 HD2 PRO A 517 -0.004 -13.986 -23.029 1.00 0.00 H new ATOM 0 HD3 PRO A 517 0.770 -15.272 -22.125 1.00 0.00 H new