USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 470 GLN :FLIP amide:sc= 0.013 F(o=-0.95,f=0.25) USER MOD Set 1.2: A 475 GLN : amide:sc= 0.238 K(o=0.25,f=-0.95) USER MOD Set 2.1: A 462 GLN :FLIP amide:sc= -0.934 F(o=-4.1,f=-1.6) USER MOD Set 2.2: A 463 ASN :FLIP amide:sc= -0.632! F(o=-4.6,f=-1.6!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -0.0846 F(o=-1.3,f=-0.085) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -6.39! C(o=-6.4!,f=-16!) USER MOD Single : A 432 THR OG1 : rot -80:sc= -6.83! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 442 GLN :FLIP amide:sc= -2.95! C(o=-5.6!,f=-2.9!) USER MOD Single : A 444 TYR OH : rot 150:sc= -6.83! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.147! USER MOD Single : A 454 ASN : amide:sc= -9.11! C(o=-9.1!,f=-22!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -3.09! X(o=-3.1!,f=-2.9) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= -3.53! C(o=-5.4!,f=-3.5!) USER MOD Single : A 490 ASN : amide:sc= -0.976 K(o=-0.98,f=-4.5!) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 SER OG : rot -160:sc= -0.936 USER MOD Single : A 501 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 502 ASN : amide:sc= -0.0575 X(o=-0.058,f=-0.47) USER MOD Single : A 508 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 510 ASN : amide:sc= -0.0024 X(o=-0.0024,f=-0.095) USER MOD Single : A 513 GLN : amide:sc= -0.117 K(o=-0.12,f=-4.2!) USER MOD Single : A 516 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 -0.746 35.582 6.537 1.00 0.00 N ATOM 19 CA ASP A 412 -0.844 34.133 6.495 1.00 0.00 C ATOM 20 C ASP A 412 -0.261 33.548 7.782 1.00 0.00 C ATOM 21 O ASP A 412 0.844 33.909 8.187 1.00 0.00 O ATOM 22 CB ASP A 412 -0.054 33.561 5.315 1.00 0.00 C ATOM 23 CG ASP A 412 0.203 32.054 5.378 1.00 0.00 C ATOM 24 OD1 ASP A 412 1.119 31.534 4.726 1.00 0.00 O ATOM 25 OD2 ASP A 412 -0.598 31.397 6.148 1.00 0.00 O ATOM 0 HA ASP A 412 -1.896 33.870 6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -0.593 33.784 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 412 0.905 34.076 5.256 1.00 0.00 H new ATOM 31 N VAL A 413 -1.028 32.657 8.391 1.00 0.00 N ATOM 32 CA VAL A 413 -0.601 32.020 9.625 1.00 0.00 C ATOM 33 C VAL A 413 -0.346 30.534 9.365 1.00 0.00 C ATOM 34 O VAL A 413 -0.834 29.980 8.380 1.00 0.00 O ATOM 35 CB VAL A 413 -1.635 32.265 10.726 1.00 0.00 C ATOM 36 CG1 VAL A 413 -2.787 31.262 10.630 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.984 32.222 12.109 1.00 0.00 C ATOM 0 H VAL A 413 -1.944 32.361 8.053 1.00 0.00 H new ATOM 0 HA VAL A 413 0.335 32.455 9.975 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.048 33.263 10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.508 31.458 11.424 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.277 31.363 9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.398 30.249 10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -1.741 32.399 12.873 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.530 31.244 12.267 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.216 32.993 12.174 1.00 0.00 H new ATOM 47 N ASP A 414 0.416 29.930 10.265 1.00 0.00 N ATOM 48 CA ASP A 414 0.741 28.518 10.145 1.00 0.00 C ATOM 49 C ASP A 414 -0.276 27.696 10.937 1.00 0.00 C ATOM 50 O ASP A 414 0.016 27.238 12.042 1.00 0.00 O ATOM 51 CB ASP A 414 2.131 28.223 10.711 1.00 0.00 C ATOM 52 CG ASP A 414 2.801 26.962 10.160 1.00 0.00 C ATOM 53 OD1 ASP A 414 4.028 26.805 10.235 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.996 26.108 9.624 1.00 0.00 O ATOM 0 H ASP A 414 0.818 30.392 11.081 1.00 0.00 H new ATOM 0 HA ASP A 414 0.719 28.256 9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.777 29.077 10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.053 28.131 11.794 1.00 0.00 H new ATOM 60 N GLU A 415 -1.450 27.533 10.345 1.00 0.00 N ATOM 61 CA GLU A 415 -2.511 26.774 10.981 1.00 0.00 C ATOM 62 C GLU A 415 -2.039 25.350 11.283 1.00 0.00 C ATOM 63 O GLU A 415 -2.665 24.636 12.065 1.00 0.00 O ATOM 64 CB GLU A 415 -3.773 26.762 10.116 1.00 0.00 C ATOM 65 CG GLU A 415 -4.275 28.184 9.860 1.00 0.00 C ATOM 66 CD GLU A 415 -3.985 28.616 8.422 1.00 0.00 C ATOM 67 OE1 GLU A 415 -4.053 27.791 7.500 1.00 0.00 O ATOM 68 OE2 GLU A 415 -3.682 29.862 8.277 1.00 0.00 O ATOM 0 H GLU A 415 -1.689 27.915 9.430 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.762 27.260 11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.563 26.270 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.552 26.181 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.347 28.235 10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.795 28.874 10.555 1.00 0.00 H new ATOM 76 N CYS A 416 -0.938 24.979 10.645 1.00 0.00 N ATOM 77 CA CYS A 416 -0.374 23.653 10.835 1.00 0.00 C ATOM 78 C CYS A 416 0.540 23.690 12.062 1.00 0.00 C ATOM 79 O CYS A 416 0.907 22.646 12.598 1.00 0.00 O ATOM 80 CB CYS A 416 0.365 23.169 9.587 1.00 0.00 C ATOM 81 SG CYS A 416 2.184 23.371 9.647 1.00 0.00 S ATOM 0 H CYS A 416 -0.422 25.573 9.996 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.176 22.935 11.003 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.135 22.115 9.431 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -0.018 23.710 8.722 1.00 0.00 H new ATOM 86 N SER A 417 0.879 24.904 12.471 1.00 0.00 N ATOM 87 CA SER A 417 1.742 25.091 13.625 1.00 0.00 C ATOM 88 C SER A 417 0.942 25.682 14.787 1.00 0.00 C ATOM 89 O SER A 417 1.438 25.762 15.910 1.00 0.00 O ATOM 90 CB SER A 417 2.930 25.994 13.283 1.00 0.00 C ATOM 91 OG SER A 417 4.086 25.668 14.049 1.00 0.00 O ATOM 0 H SER A 417 0.572 25.768 12.024 1.00 0.00 H new ATOM 0 HA SER A 417 2.133 24.118 13.921 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.161 25.903 12.222 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.658 27.034 13.462 1.00 0.00 H new ATOM 0 HG SER A 417 4.822 26.265 13.801 1.00 0.00 H new ATOM 97 N LEU A 418 -0.283 26.081 14.478 1.00 0.00 N ATOM 98 CA LEU A 418 -1.157 26.663 15.482 1.00 0.00 C ATOM 99 C LEU A 418 -1.652 25.561 16.421 1.00 0.00 C ATOM 100 O LEU A 418 -0.991 25.236 17.407 1.00 0.00 O ATOM 101 CB LEU A 418 -2.283 27.456 14.819 1.00 0.00 C ATOM 102 CG LEU A 418 -1.960 28.907 14.460 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.611 29.303 13.133 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.357 29.854 15.595 1.00 0.00 C ATOM 0 H LEU A 418 -0.691 26.013 13.546 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.610 27.382 16.092 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.580 26.935 13.909 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.145 27.451 15.486 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.881 28.993 14.329 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -2.365 30.339 12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -2.240 28.656 12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.693 29.196 13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -2.117 30.879 15.314 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.428 29.770 15.781 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.810 29.588 16.499 1.00 0.00 H new ATOM 116 N GLY A 419 -2.810 25.014 16.082 1.00 0.00 N ATOM 117 CA GLY A 419 -3.402 23.955 16.883 1.00 0.00 C ATOM 118 C GLY A 419 -4.200 22.988 16.008 1.00 0.00 C ATOM 119 O GLY A 419 -5.014 22.216 16.512 1.00 0.00 O ATOM 0 H GLY A 419 -3.355 25.284 15.263 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -2.618 23.412 17.411 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -4.055 24.389 17.641 1.00 0.00 H new ATOM 123 N ALA A 420 -3.939 23.060 14.711 1.00 0.00 N ATOM 124 CA ALA A 420 -4.624 22.200 13.760 1.00 0.00 C ATOM 125 C ALA A 420 -3.588 21.444 12.925 1.00 0.00 C ATOM 126 O ALA A 420 -3.154 21.929 11.881 1.00 0.00 O ATOM 127 CB ALA A 420 -5.568 23.040 12.898 1.00 0.00 C ATOM 0 H ALA A 420 -3.262 23.701 14.296 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.232 21.460 14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.081 22.394 12.185 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.302 23.532 13.536 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.994 23.793 12.358 1.00 0.00 H new ATOM 133 N ASN A 421 -3.223 20.268 13.417 1.00 0.00 N ATOM 134 CA ASN A 421 -2.246 19.442 12.729 1.00 0.00 C ATOM 135 C ASN A 421 -2.949 18.219 12.134 1.00 0.00 C ATOM 136 O ASN A 421 -3.275 17.275 12.852 1.00 0.00 O ATOM 137 CB ASN A 421 -1.169 18.943 13.695 1.00 0.00 C ATOM 138 CG ASN A 421 0.181 18.806 12.986 1.00 0.00 C ATOM 139 OD1 ASN A 421 1.059 19.647 13.098 1.00 0.00 O ATOM 140 ND2 ASN A 421 0.298 17.704 12.253 1.00 0.00 N ATOM 0 H ASN A 421 -3.586 19.869 14.283 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.781 20.047 11.951 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.076 19.636 14.531 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -1.465 17.980 14.110 1.00 0.00 H new ATOM 0 HD21 ASN A 421 1.161 17.521 11.741 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.475 17.041 12.202 1.00 0.00 H new ATOM 147 N PRO A 422 -3.166 18.278 10.793 1.00 0.00 N ATOM 148 CA PRO A 422 -3.824 17.187 10.093 1.00 0.00 C ATOM 149 C PRO A 422 -2.878 15.995 9.923 1.00 0.00 C ATOM 150 O PRO A 422 -3.291 14.846 10.068 1.00 0.00 O ATOM 151 CB PRO A 422 -4.272 17.783 8.769 1.00 0.00 C ATOM 152 CG PRO A 422 -3.449 19.046 8.579 1.00 0.00 C ATOM 153 CD PRO A 422 -2.793 19.379 9.910 1.00 0.00 C ATOM 0 HA PRO A 422 -4.676 16.787 10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.107 17.083 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.338 18.010 8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.693 18.897 7.808 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.083 19.869 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.710 19.457 9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.146 20.335 10.298 1.00 0.00 H new ATOM 161 N CYS A 423 -1.629 16.311 9.617 1.00 0.00 N ATOM 162 CA CYS A 423 -0.623 15.281 9.425 1.00 0.00 C ATOM 163 C CYS A 423 -0.776 14.246 10.541 1.00 0.00 C ATOM 164 O CYS A 423 -0.362 13.098 10.388 1.00 0.00 O ATOM 165 CB CYS A 423 0.788 15.871 9.384 1.00 0.00 C ATOM 166 SG CYS A 423 0.951 17.411 8.408 1.00 0.00 S ATOM 0 H CYS A 423 -1.291 17.266 9.497 1.00 0.00 H new ATOM 0 HA CYS A 423 -0.773 14.798 8.460 1.00 0.00 H new ATOM 0 HB2 CYS A 423 1.113 16.069 10.405 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.467 15.124 8.973 1.00 0.00 H new ATOM 171 N GLU A 424 -1.373 14.689 11.638 1.00 0.00 N ATOM 172 CA GLU A 424 -1.587 13.815 12.778 1.00 0.00 C ATOM 173 C GLU A 424 -0.251 13.463 13.436 1.00 0.00 C ATOM 174 O GLU A 424 0.359 14.302 14.097 1.00 0.00 O ATOM 175 CB GLU A 424 -2.345 12.551 12.366 1.00 0.00 C ATOM 176 CG GLU A 424 -3.835 12.842 12.175 1.00 0.00 C ATOM 177 CD GLU A 424 -4.689 11.684 12.692 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.312 10.513 12.531 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.783 12.033 13.280 1.00 0.00 O ATOM 0 H GLU A 424 -1.715 15.642 11.761 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.200 14.345 13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.926 12.157 11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.216 11.781 13.127 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.101 13.758 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -4.044 13.010 11.118 1.00 0.00 H new ATOM 187 N HIS A 425 0.166 12.222 13.229 1.00 0.00 N ATOM 188 CA HIS A 425 1.419 11.749 13.793 1.00 0.00 C ATOM 189 C HIS A 425 2.237 11.046 12.709 1.00 0.00 C ATOM 190 O HIS A 425 2.767 9.959 12.933 1.00 0.00 O ATOM 191 CB HIS A 425 1.164 10.861 15.014 1.00 0.00 C ATOM 192 CG HIS A 425 0.808 11.626 16.266 1.00 0.00 C ATOM 193 ND1 HIS A 425 -0.118 12.604 16.479 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 1.437 11.411 17.480 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -0.058 12.967 17.755 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 0.907 12.228 18.377 1.00 0.00 N flip ATOM 0 H HIS A 425 -0.342 11.530 12.678 1.00 0.00 H new ATOM 0 HA HIS A 425 2.005 12.597 14.148 1.00 0.00 H new ATOM 0 HB2 HIS A 425 0.356 10.166 14.783 1.00 0.00 H new ATOM 0 HB3 HIS A 425 2.054 10.262 15.207 1.00 0.00 H new ATOM 0 HD2 HIS A 425 2.227 10.698 17.664 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -0.671 13.722 18.224 1.00 0.00 H new ATOM 0 HE2 HIS A 425 1.173 12.294 19.360 1.00 0.00 H new ATOM 204 N ALA A 426 2.314 11.695 11.557 1.00 0.00 N ATOM 205 CA ALA A 426 3.058 11.146 10.437 1.00 0.00 C ATOM 206 C ALA A 426 2.732 11.944 9.173 1.00 0.00 C ATOM 207 O ALA A 426 1.796 11.609 8.448 1.00 0.00 O ATOM 208 CB ALA A 426 2.735 9.659 10.287 1.00 0.00 C ATOM 0 H ALA A 426 1.873 12.597 11.375 1.00 0.00 H new ATOM 0 HA ALA A 426 4.131 11.229 10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.294 9.248 9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.013 9.132 11.200 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.667 9.535 10.108 1.00 0.00 H new ATOM 214 N GLY A 427 3.522 12.984 8.946 1.00 0.00 N ATOM 215 CA GLY A 427 3.328 13.831 7.782 1.00 0.00 C ATOM 216 C GLY A 427 4.039 15.175 7.957 1.00 0.00 C ATOM 217 O GLY A 427 4.552 15.473 9.035 1.00 0.00 O ATOM 0 H GLY A 427 4.298 13.259 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.709 13.327 6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.263 13.997 7.622 1.00 0.00 H new ATOM 221 N LYS A 428 4.047 15.949 6.883 1.00 0.00 N ATOM 222 CA LYS A 428 4.686 17.253 6.904 1.00 0.00 C ATOM 223 C LYS A 428 3.615 18.340 7.011 1.00 0.00 C ATOM 224 O LYS A 428 2.585 18.270 6.341 1.00 0.00 O ATOM 225 CB LYS A 428 5.610 17.417 5.695 1.00 0.00 C ATOM 226 CG LYS A 428 6.725 18.421 5.991 1.00 0.00 C ATOM 227 CD LYS A 428 8.064 17.710 6.200 1.00 0.00 C ATOM 228 CE LYS A 428 8.728 17.385 4.861 1.00 0.00 C ATOM 229 NZ LYS A 428 10.026 18.088 4.741 1.00 0.00 N ATOM 0 H LYS A 428 3.621 15.698 5.991 1.00 0.00 H new ATOM 0 HA LYS A 428 5.326 17.349 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 428 6.044 16.453 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.032 17.753 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.810 19.129 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.473 18.998 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.725 18.340 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.907 16.791 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.881 16.309 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 428 8.072 17.679 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.463 17.856 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.872 19.115 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 10.656 17.787 5.512 1.00 0.00 H new ATOM 242 N CYS A 429 3.894 19.320 7.857 1.00 0.00 N ATOM 243 CA CYS A 429 2.967 20.421 8.061 1.00 0.00 C ATOM 244 C CYS A 429 3.671 21.721 7.671 1.00 0.00 C ATOM 245 O CYS A 429 4.671 22.097 8.281 1.00 0.00 O ATOM 246 CB CYS A 429 2.446 20.463 9.500 1.00 0.00 C ATOM 247 SG CYS A 429 3.048 21.876 10.493 1.00 0.00 S ATOM 0 H CYS A 429 4.749 19.375 8.410 1.00 0.00 H new ATOM 0 HA CYS A 429 2.089 20.282 7.430 1.00 0.00 H new ATOM 0 HB2 CYS A 429 1.357 20.492 9.476 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.730 19.538 10.001 1.00 0.00 H new ATOM 252 N ILE A 430 3.123 22.373 6.657 1.00 0.00 N ATOM 253 CA ILE A 430 3.686 23.623 6.177 1.00 0.00 C ATOM 254 C ILE A 430 2.619 24.717 6.243 1.00 0.00 C ATOM 255 O ILE A 430 1.442 24.429 6.453 1.00 0.00 O ATOM 256 CB ILE A 430 4.292 23.439 4.784 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.004 22.038 4.242 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.790 23.752 4.793 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.740 20.971 5.055 1.00 0.00 C ATOM 0 H ILE A 430 2.293 22.059 6.154 1.00 0.00 H new ATOM 0 HA ILE A 430 4.509 23.940 6.818 1.00 0.00 H new ATOM 0 HB ILE A 430 3.817 24.150 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.931 21.847 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.310 21.979 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.197 23.614 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.944 24.784 5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.298 23.082 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.517 19.985 4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.814 21.151 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.414 21.016 6.094 1.00 0.00 H new ATOM 271 N ASN A 431 3.068 25.950 6.059 1.00 0.00 N ATOM 272 CA ASN A 431 2.166 27.088 6.094 1.00 0.00 C ATOM 273 C ASN A 431 1.987 27.637 4.678 1.00 0.00 C ATOM 274 O ASN A 431 2.961 27.797 3.943 1.00 0.00 O ATOM 275 CB ASN A 431 2.729 28.210 6.969 1.00 0.00 C ATOM 276 CG ASN A 431 1.980 29.523 6.726 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.898 29.555 6.166 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.618 30.600 7.177 1.00 0.00 N ATOM 0 H ASN A 431 4.045 26.186 5.885 1.00 0.00 H new ATOM 0 HA ASN A 431 1.215 26.751 6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.650 27.931 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.789 28.347 6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 431 2.202 31.524 7.062 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.523 30.501 7.637 1.00 0.00 H new ATOM 285 N THR A 432 0.736 27.911 4.336 1.00 0.00 N ATOM 286 CA THR A 432 0.419 28.438 3.020 1.00 0.00 C ATOM 287 C THR A 432 -0.371 29.742 3.144 1.00 0.00 C ATOM 288 O THR A 432 -0.910 30.046 4.208 1.00 0.00 O ATOM 289 CB THR A 432 -0.324 27.350 2.242 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.646 26.374 3.230 1.00 0.00 O ATOM 291 CG2 THR A 432 0.585 26.605 1.263 1.00 0.00 C ATOM 0 H THR A 432 -0.069 27.778 4.948 1.00 0.00 H new ATOM 0 HA THR A 432 1.323 28.693 2.468 1.00 0.00 H new ATOM 0 HB THR A 432 -1.154 27.798 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 432 0.140 25.815 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.008 25.844 0.737 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.998 27.310 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.398 26.129 1.811 1.00 0.00 H new ATOM 299 N LEU A 433 -0.413 30.479 2.045 1.00 0.00 N ATOM 300 CA LEU A 433 -1.127 31.745 2.018 1.00 0.00 C ATOM 301 C LEU A 433 -2.634 31.475 2.053 1.00 0.00 C ATOM 302 O LEU A 433 -3.162 30.777 1.190 1.00 0.00 O ATOM 303 CB LEU A 433 -0.680 32.586 0.821 1.00 0.00 C ATOM 304 CG LEU A 433 0.369 33.660 1.111 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.176 33.993 -0.146 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.274 34.905 1.726 1.00 0.00 C ATOM 0 H LEU A 433 0.036 30.224 1.165 1.00 0.00 H new ATOM 0 HA LEU A 433 -0.888 32.338 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.283 31.915 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.558 33.070 0.394 1.00 0.00 H new ATOM 0 HG LEU A 433 1.068 33.263 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.915 34.759 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.684 33.096 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.505 34.361 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.495 35.652 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.010 35.314 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.766 34.636 2.661 1.00 0.00 H new ATOM 318 N GLY A 434 -3.280 32.044 3.059 1.00 0.00 N ATOM 319 CA GLY A 434 -4.715 31.875 3.218 1.00 0.00 C ATOM 320 C GLY A 434 -5.036 30.559 3.928 1.00 0.00 C ATOM 321 O GLY A 434 -5.870 30.524 4.830 1.00 0.00 O ATOM 0 H GLY A 434 -2.837 32.623 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.122 32.709 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.197 31.892 2.241 1.00 0.00 H new ATOM 325 N SER A 435 -4.356 29.508 3.495 1.00 0.00 N ATOM 326 CA SER A 435 -4.559 28.192 4.078 1.00 0.00 C ATOM 327 C SER A 435 -3.208 27.542 4.386 1.00 0.00 C ATOM 328 O SER A 435 -2.165 28.041 3.964 1.00 0.00 O ATOM 329 CB SER A 435 -5.379 27.297 3.148 1.00 0.00 C ATOM 330 OG SER A 435 -6.581 27.931 2.719 1.00 0.00 O ATOM 0 H SER A 435 -3.663 29.541 2.747 1.00 0.00 H new ATOM 0 HA SER A 435 -5.117 28.312 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.779 27.032 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.623 26.367 3.662 1.00 0.00 H new ATOM 0 HG SER A 435 -7.075 27.328 2.126 1.00 0.00 H new ATOM 336 N PHE A 436 -3.270 26.441 5.119 1.00 0.00 N ATOM 337 CA PHE A 436 -2.065 25.718 5.488 1.00 0.00 C ATOM 338 C PHE A 436 -1.893 24.465 4.627 1.00 0.00 C ATOM 339 O PHE A 436 -2.876 23.869 4.187 1.00 0.00 O ATOM 340 CB PHE A 436 -2.224 25.300 6.951 1.00 0.00 C ATOM 341 CG PHE A 436 -3.162 24.109 7.159 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.750 22.854 6.839 1.00 0.00 C ATOM 343 CD2 PHE A 436 -4.410 24.306 7.664 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.620 21.748 7.032 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.280 23.201 7.858 1.00 0.00 C ATOM 346 CZ PHE A 436 -4.867 21.946 7.537 1.00 0.00 C ATOM 0 H PHE A 436 -4.137 26.031 5.468 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.190 26.351 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.243 25.052 7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.599 26.149 7.522 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.760 22.697 6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -4.739 25.303 7.917 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.292 20.751 6.778 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -6.270 23.357 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.530 21.106 7.683 1.00 0.00 H new ATOM 356 N GLU A 437 -0.637 24.101 4.413 1.00 0.00 N ATOM 357 CA GLU A 437 -0.323 22.929 3.612 1.00 0.00 C ATOM 358 C GLU A 437 0.342 21.858 4.479 1.00 0.00 C ATOM 359 O GLU A 437 1.129 22.176 5.370 1.00 0.00 O ATOM 360 CB GLU A 437 0.562 23.300 2.421 1.00 0.00 C ATOM 361 CG GLU A 437 1.269 22.065 1.859 1.00 0.00 C ATOM 362 CD GLU A 437 1.444 22.176 0.342 1.00 0.00 C ATOM 363 OE1 GLU A 437 0.652 22.861 -0.324 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.445 21.521 -0.140 1.00 0.00 O ATOM 0 H GLU A 437 0.175 24.597 4.780 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.254 22.522 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.045 23.762 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.302 24.039 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.244 21.952 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.692 21.171 2.098 1.00 0.00 H new ATOM 372 N CYS A 438 0.002 20.611 4.187 1.00 0.00 N ATOM 373 CA CYS A 438 0.558 19.491 4.928 1.00 0.00 C ATOM 374 C CYS A 438 0.770 18.329 3.956 1.00 0.00 C ATOM 375 O CYS A 438 -0.149 17.940 3.238 1.00 0.00 O ATOM 376 CB CYS A 438 -0.335 19.094 6.105 1.00 0.00 C ATOM 377 SG CYS A 438 -0.039 17.411 6.758 1.00 0.00 S ATOM 0 H CYS A 438 -0.651 20.351 3.448 1.00 0.00 H new ATOM 0 HA CYS A 438 1.515 19.779 5.363 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.190 19.812 6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.377 19.170 5.794 1.00 0.00 H new ATOM 382 N GLN A 439 1.989 17.808 3.962 1.00 0.00 N ATOM 383 CA GLN A 439 2.333 16.700 3.091 1.00 0.00 C ATOM 384 C GLN A 439 1.854 15.379 3.696 1.00 0.00 C ATOM 385 O GLN A 439 1.600 15.298 4.897 1.00 0.00 O ATOM 386 CB GLN A 439 3.838 16.664 2.818 1.00 0.00 C ATOM 387 CG GLN A 439 4.362 18.054 2.453 1.00 0.00 C ATOM 388 CD GLN A 439 5.832 17.992 2.029 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.324 16.985 1.547 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.503 19.122 2.236 1.00 0.00 N ATOM 0 H GLN A 439 2.750 18.134 4.558 1.00 0.00 H new ATOM 0 HA GLN A 439 1.827 16.844 2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.362 16.294 3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.047 15.968 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.763 18.471 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.254 18.723 3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.030 19.929 2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.490 19.182 1.987 1.00 0.00 H new ATOM 399 N CYS A 440 1.745 14.375 2.838 1.00 0.00 N ATOM 400 CA CYS A 440 1.301 13.062 3.273 1.00 0.00 C ATOM 401 C CYS A 440 2.536 12.220 3.595 1.00 0.00 C ATOM 402 O CYS A 440 3.620 12.474 3.070 1.00 0.00 O ATOM 403 CB CYS A 440 0.409 12.391 2.226 1.00 0.00 C ATOM 404 SG CYS A 440 0.490 13.136 0.558 1.00 0.00 S ATOM 0 H CYS A 440 1.957 14.445 1.843 1.00 0.00 H new ATOM 0 HA CYS A 440 0.687 13.161 4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.687 11.340 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -0.624 12.424 2.574 1.00 0.00 H new ATOM 409 N LEU A 441 2.333 11.233 4.456 1.00 0.00 N ATOM 410 CA LEU A 441 3.416 10.352 4.855 1.00 0.00 C ATOM 411 C LEU A 441 3.157 8.950 4.303 1.00 0.00 C ATOM 412 O LEU A 441 2.289 8.234 4.800 1.00 0.00 O ATOM 413 CB LEU A 441 3.609 10.391 6.372 1.00 0.00 C ATOM 414 CG LEU A 441 5.055 10.337 6.869 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.649 8.939 6.679 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.905 11.418 6.196 1.00 0.00 C ATOM 0 H LEU A 441 1.433 11.025 4.888 1.00 0.00 H new ATOM 0 HA LEU A 441 4.360 10.693 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 441 3.149 11.303 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 441 3.065 9.554 6.809 1.00 0.00 H new ATOM 0 HG LEU A 441 5.057 10.544 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.677 8.928 7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 441 5.060 8.214 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.634 8.678 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.929 11.359 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.900 11.265 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.493 12.401 6.425 1.00 0.00 H new ATOM 428 N GLN A 442 3.927 8.598 3.282 1.00 0.00 N ATOM 429 CA GLN A 442 3.790 7.293 2.657 1.00 0.00 C ATOM 430 C GLN A 442 2.457 7.200 1.911 1.00 0.00 C ATOM 431 O GLN A 442 2.362 7.595 0.751 1.00 0.00 O ATOM 432 CB GLN A 442 3.919 6.173 3.691 1.00 0.00 C ATOM 433 CG GLN A 442 5.313 5.542 3.644 1.00 0.00 C ATOM 434 CD GLN A 442 5.981 5.584 5.020 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.481 6.773 5.342 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.037 4.600 5.742 1.00 0.00 N flip ATOM 0 H GLN A 442 4.647 9.194 2.873 1.00 0.00 H new ATOM 0 HA GLN A 442 4.598 7.171 1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.729 6.570 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.164 5.410 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.237 4.509 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.931 6.072 2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.632 3.717 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.489 4.662 6.654 1.00 0.00 H new ATOM 445 N GLY A 443 1.461 6.672 2.607 1.00 0.00 N ATOM 446 CA GLY A 443 0.138 6.521 2.026 1.00 0.00 C ATOM 447 C GLY A 443 -0.930 7.146 2.923 1.00 0.00 C ATOM 448 O GLY A 443 -1.677 6.435 3.595 1.00 0.00 O ATOM 0 H GLY A 443 1.544 6.343 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.113 6.991 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.080 5.463 1.879 1.00 0.00 H new ATOM 452 N TYR A 444 -0.969 8.471 2.907 1.00 0.00 N ATOM 453 CA TYR A 444 -1.936 9.200 3.711 1.00 0.00 C ATOM 454 C TYR A 444 -3.090 9.714 2.849 1.00 0.00 C ATOM 455 O TYR A 444 -2.966 9.809 1.630 1.00 0.00 O ATOM 456 CB TYR A 444 -1.181 10.395 4.296 1.00 0.00 C ATOM 457 CG TYR A 444 -0.807 10.235 5.771 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.073 9.141 6.182 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.205 11.185 6.691 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.278 8.990 7.570 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.853 11.033 8.079 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.129 9.944 8.451 1.00 0.00 C ATOM 463 OH TYR A 444 0.202 9.801 9.762 1.00 0.00 O ATOM 0 H TYR A 444 -0.347 9.058 2.351 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.360 8.555 4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.272 10.556 3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.794 11.289 4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.238 8.398 5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.780 12.041 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.852 8.138 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.158 11.768 8.809 1.00 0.00 H new ATOM 0 HH TYR A 444 0.294 10.685 10.174 1.00 0.00 H new ATOM 473 N THR A 445 -4.189 10.033 3.518 1.00 0.00 N ATOM 474 CA THR A 445 -5.365 10.534 2.828 1.00 0.00 C ATOM 475 C THR A 445 -5.467 12.053 2.983 1.00 0.00 C ATOM 476 O THR A 445 -4.518 12.777 2.684 1.00 0.00 O ATOM 477 CB THR A 445 -6.585 9.786 3.368 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.694 10.449 2.768 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.789 10.004 4.869 1.00 0.00 C ATOM 0 H THR A 445 -4.289 9.954 4.530 1.00 0.00 H new ATOM 0 HA THR A 445 -5.302 10.351 1.755 1.00 0.00 H new ATOM 0 HB THR A 445 -6.474 8.720 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.527 10.026 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.668 9.451 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.912 9.650 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.933 11.066 5.066 1.00 0.00 H new ATOM 487 N GLY A 446 -6.626 12.492 3.452 1.00 0.00 N ATOM 488 CA GLY A 446 -6.863 13.912 3.650 1.00 0.00 C ATOM 489 C GLY A 446 -7.368 14.569 2.363 1.00 0.00 C ATOM 490 O GLY A 446 -7.245 13.996 1.281 1.00 0.00 O ATOM 0 H GLY A 446 -7.411 11.890 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.594 14.055 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.941 14.397 3.972 1.00 0.00 H new ATOM 494 N PRO A 447 -7.939 15.792 2.528 1.00 0.00 N ATOM 495 CA PRO A 447 -8.462 16.532 1.393 1.00 0.00 C ATOM 496 C PRO A 447 -7.327 17.136 0.562 1.00 0.00 C ATOM 497 O PRO A 447 -7.442 17.257 -0.658 1.00 0.00 O ATOM 498 CB PRO A 447 -9.379 17.582 1.996 1.00 0.00 C ATOM 499 CG PRO A 447 -8.979 17.695 3.459 1.00 0.00 C ATOM 500 CD PRO A 447 -8.102 16.500 3.794 1.00 0.00 C ATOM 0 HA PRO A 447 -9.009 15.899 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.266 18.538 1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.425 17.290 1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.441 18.626 3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -9.863 17.711 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.140 16.816 4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.570 15.864 4.546 1.00 0.00 H new ATOM 508 N ARG A 448 -6.258 17.498 1.254 1.00 0.00 N ATOM 509 CA ARG A 448 -5.103 18.086 0.596 1.00 0.00 C ATOM 510 C ARG A 448 -3.867 17.208 0.808 1.00 0.00 C ATOM 511 O ARG A 448 -2.759 17.592 0.439 1.00 0.00 O ATOM 512 CB ARG A 448 -4.819 19.491 1.131 1.00 0.00 C ATOM 513 CG ARG A 448 -6.095 20.337 1.153 1.00 0.00 C ATOM 514 CD ARG A 448 -6.316 20.960 2.533 1.00 0.00 C ATOM 515 NE ARG A 448 -6.874 22.322 2.389 1.00 0.00 N ATOM 516 CZ ARG A 448 -7.584 22.955 3.347 1.00 0.00 C ATOM 517 NH1 ARG A 448 -7.831 22.351 4.529 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.034 24.173 3.111 1.00 0.00 N ATOM 0 H ARG A 448 -6.166 17.396 2.265 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.327 18.154 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.405 19.424 2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.067 19.976 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.027 21.124 0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.951 19.717 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -6.996 20.339 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -5.373 21.000 3.078 1.00 0.00 H new ATOM 0 HE ARG A 448 -6.712 22.814 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -7.480 21.409 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -8.368 22.836 5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -7.844 24.622 2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -8.572 24.665 3.824 1.00 0.00 H new ATOM 531 N CYS A 449 -4.101 16.047 1.402 1.00 0.00 N ATOM 532 CA CYS A 449 -3.020 15.112 1.667 1.00 0.00 C ATOM 533 C CYS A 449 -2.406 15.461 3.025 1.00 0.00 C ATOM 534 O CYS A 449 -1.234 15.819 3.106 1.00 0.00 O ATOM 535 CB CYS A 449 -1.975 15.122 0.549 1.00 0.00 C ATOM 536 SG CYS A 449 -1.357 13.470 0.060 1.00 0.00 S ATOM 0 H CYS A 449 -5.022 15.732 1.707 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.414 14.096 1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.406 15.607 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.129 15.731 0.867 1.00 0.00 H new ATOM 541 N GLU A 450 -3.228 15.340 4.057 1.00 0.00 N ATOM 542 CA GLU A 450 -2.781 15.638 5.408 1.00 0.00 C ATOM 543 C GLU A 450 -3.531 14.768 6.419 1.00 0.00 C ATOM 544 O GLU A 450 -3.509 15.044 7.618 1.00 0.00 O ATOM 545 CB GLU A 450 -2.956 17.124 5.728 1.00 0.00 C ATOM 546 CG GLU A 450 -4.428 17.529 5.661 1.00 0.00 C ATOM 547 CD GLU A 450 -4.765 18.153 4.304 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.634 19.032 4.224 1.00 0.00 O ATOM 549 OE2 GLU A 450 -4.083 17.692 3.310 1.00 0.00 O ATOM 0 H GLU A 450 -4.200 15.040 3.985 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.718 15.408 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.562 17.334 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -2.378 17.722 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -5.057 16.655 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.650 18.240 6.457 1.00 0.00 H new ATOM 557 N ILE A 451 -4.175 13.734 5.898 1.00 0.00 N ATOM 558 CA ILE A 451 -4.930 12.820 6.740 1.00 0.00 C ATOM 559 C ILE A 451 -4.404 11.397 6.541 1.00 0.00 C ATOM 560 O ILE A 451 -3.964 11.041 5.448 1.00 0.00 O ATOM 561 CB ILE A 451 -6.430 12.966 6.477 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.868 14.427 6.590 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.239 12.051 7.400 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.428 15.028 7.927 1.00 0.00 C ATOM 0 H ILE A 451 -4.190 13.508 4.903 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.790 13.066 7.793 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.630 12.650 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -6.440 15.003 5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -7.952 14.494 6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.302 12.174 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.953 11.014 7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -7.039 12.313 8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.751 16.067 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -6.877 14.464 8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.342 14.981 8.007 1.00 0.00 H new ATOM 576 N ASP A 452 -4.469 10.622 7.614 1.00 0.00 N ATOM 577 CA ASP A 452 -4.005 9.246 7.570 1.00 0.00 C ATOM 578 C ASP A 452 -5.209 8.310 7.445 1.00 0.00 C ATOM 579 O ASP A 452 -6.102 8.324 8.291 1.00 0.00 O ATOM 580 CB ASP A 452 -3.252 8.877 8.849 1.00 0.00 C ATOM 581 CG ASP A 452 -2.776 7.426 8.925 1.00 0.00 C ATOM 582 OD1 ASP A 452 -1.598 7.152 9.204 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.682 6.540 8.680 1.00 0.00 O ATOM 0 H ASP A 452 -4.836 10.921 8.518 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.336 9.143 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.386 9.533 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.899 9.076 9.703 1.00 0.00 H new ATOM 589 N VAL A 453 -5.196 7.520 6.383 1.00 0.00 N ATOM 590 CA VAL A 453 -6.276 6.578 6.136 1.00 0.00 C ATOM 591 C VAL A 453 -5.852 5.187 6.610 1.00 0.00 C ATOM 592 O VAL A 453 -4.674 4.944 6.860 1.00 0.00 O ATOM 593 CB VAL A 453 -6.670 6.612 4.657 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.433 6.681 3.761 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.541 5.407 4.296 1.00 0.00 C ATOM 0 H VAL A 453 -4.455 7.512 5.682 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.164 6.857 6.703 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.257 7.515 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.742 6.704 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.866 7.583 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.808 5.805 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.808 5.454 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.989 4.488 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.448 5.420 4.900 1.00 0.00 H new ATOM 605 N ASN A 454 -6.840 4.310 6.722 1.00 0.00 N ATOM 606 CA ASN A 454 -6.585 2.949 7.163 1.00 0.00 C ATOM 607 C ASN A 454 -6.580 2.017 5.950 1.00 0.00 C ATOM 608 O ASN A 454 -7.627 1.512 5.545 1.00 0.00 O ATOM 609 CB ASN A 454 -7.674 2.468 8.124 1.00 0.00 C ATOM 610 CG ASN A 454 -7.339 1.084 8.682 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.530 0.348 8.145 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.008 0.772 9.790 1.00 0.00 N ATOM 0 H ASN A 454 -7.817 4.516 6.515 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.622 2.935 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.781 3.179 8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.632 2.433 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -7.856 -0.130 10.240 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.672 1.435 10.188 1.00 0.00 H new ATOM 619 N GLU A 455 -5.390 1.817 5.401 1.00 0.00 N ATOM 620 CA GLU A 455 -5.236 0.955 4.243 1.00 0.00 C ATOM 621 C GLU A 455 -5.606 -0.486 4.600 1.00 0.00 C ATOM 622 O GLU A 455 -5.676 -1.348 3.725 1.00 0.00 O ATOM 623 CB GLU A 455 -3.812 1.034 3.687 1.00 0.00 C ATOM 624 CG GLU A 455 -2.787 1.149 4.817 1.00 0.00 C ATOM 625 CD GLU A 455 -2.418 2.613 5.073 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.262 2.909 5.409 1.00 0.00 O ATOM 627 OE2 GLU A 455 -3.381 3.456 4.909 1.00 0.00 O ATOM 0 H GLU A 455 -4.524 2.238 5.738 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.915 1.301 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.602 0.147 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.724 1.894 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.192 0.707 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -1.891 0.584 4.560 1.00 0.00 H new ATOM 635 N CYS A 456 -5.833 -0.704 5.887 1.00 0.00 N ATOM 636 CA CYS A 456 -6.194 -2.025 6.370 1.00 0.00 C ATOM 637 C CYS A 456 -7.707 -2.195 6.219 1.00 0.00 C ATOM 638 O CYS A 456 -8.276 -3.174 6.700 1.00 0.00 O ATOM 639 CB CYS A 456 -5.737 -2.243 7.815 1.00 0.00 C ATOM 640 SG CYS A 456 -7.082 -2.234 9.054 1.00 0.00 S ATOM 0 H CYS A 456 -5.774 0.013 6.610 1.00 0.00 H new ATOM 0 HA CYS A 456 -5.683 -2.784 5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.213 -3.197 7.875 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -5.017 -1.467 8.075 1.00 0.00 H new ATOM 645 N VAL A 457 -8.315 -1.227 5.548 1.00 0.00 N ATOM 646 CA VAL A 457 -9.750 -1.259 5.327 1.00 0.00 C ATOM 647 C VAL A 457 -10.033 -1.763 3.910 1.00 0.00 C ATOM 648 O VAL A 457 -11.096 -2.322 3.648 1.00 0.00 O ATOM 649 CB VAL A 457 -10.352 0.121 5.601 1.00 0.00 C ATOM 650 CG1 VAL A 457 -9.962 0.623 6.994 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.938 1.124 4.522 1.00 0.00 C ATOM 0 H VAL A 457 -7.840 -0.417 5.151 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.228 -1.952 6.020 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.437 0.025 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.403 1.605 7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.329 -0.074 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -8.877 0.695 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.379 2.096 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.852 1.214 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.288 0.777 3.550 1.00 0.00 H new ATOM 661 N SER A 458 -9.062 -1.547 3.035 1.00 0.00 N ATOM 662 CA SER A 458 -9.193 -1.972 1.652 1.00 0.00 C ATOM 663 C SER A 458 -8.212 -3.109 1.359 1.00 0.00 C ATOM 664 O SER A 458 -8.221 -3.674 0.267 1.00 0.00 O ATOM 665 CB SER A 458 -8.955 -0.805 0.692 1.00 0.00 C ATOM 666 OG SER A 458 -10.176 -0.223 0.244 1.00 0.00 O ATOM 0 H SER A 458 -8.181 -1.083 3.257 1.00 0.00 H new ATOM 0 HA SER A 458 -10.211 -2.330 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 458 -8.352 -0.045 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.383 -1.154 -0.168 1.00 0.00 H new ATOM 0 HG SER A 458 -9.980 0.519 -0.365 1.00 0.00 H new ATOM 672 N ASN A 459 -7.393 -3.411 2.354 1.00 0.00 N ATOM 673 CA ASN A 459 -6.409 -4.471 2.217 1.00 0.00 C ATOM 674 C ASN A 459 -6.256 -5.198 3.555 1.00 0.00 C ATOM 675 O ASN A 459 -5.156 -5.284 4.098 1.00 0.00 O ATOM 676 CB ASN A 459 -5.039 -3.905 1.829 1.00 0.00 C ATOM 677 CG ASN A 459 -5.182 -2.785 0.796 1.00 0.00 C ATOM 678 OD1 ASN A 459 -4.778 -2.907 -0.348 1.00 0.00 O ATOM 679 ND2 ASN A 459 -5.778 -1.692 1.263 1.00 0.00 N ATOM 0 H ASN A 459 -7.390 -2.940 3.259 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.754 -5.151 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.534 -3.524 2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.414 -4.701 1.424 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.921 -0.888 0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -6.092 -1.657 2.233 1.00 0.00 H new ATOM 686 N PRO A 460 -7.408 -5.714 4.061 1.00 0.00 N ATOM 687 CA PRO A 460 -7.415 -6.431 5.326 1.00 0.00 C ATOM 688 C PRO A 460 -6.816 -7.830 5.166 1.00 0.00 C ATOM 689 O PRO A 460 -6.743 -8.592 6.130 1.00 0.00 O ATOM 690 CB PRO A 460 -8.872 -6.453 5.758 1.00 0.00 C ATOM 691 CG PRO A 460 -9.682 -6.163 4.505 1.00 0.00 C ATOM 692 CD PRO A 460 -8.730 -5.630 3.446 1.00 0.00 C ATOM 0 HA PRO A 460 -6.797 -5.952 6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.140 -7.421 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -9.062 -5.705 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.177 -7.068 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.464 -5.434 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.781 -6.223 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -8.975 -4.604 3.173 1.00 0.00 H new ATOM 700 N CYS A 461 -6.402 -8.126 3.944 1.00 0.00 N ATOM 701 CA CYS A 461 -5.812 -9.419 3.646 1.00 0.00 C ATOM 702 C CYS A 461 -6.929 -10.465 3.632 1.00 0.00 C ATOM 703 O CYS A 461 -6.669 -11.658 3.783 1.00 0.00 O ATOM 704 CB CYS A 461 -4.706 -9.778 4.640 1.00 0.00 C ATOM 705 SG CYS A 461 -3.009 -9.714 3.956 1.00 0.00 S ATOM 0 H CYS A 461 -6.463 -7.492 3.147 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.334 -9.387 2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.766 -9.098 5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -4.891 -10.782 5.021 1.00 0.00 H new ATOM 710 N GLN A 462 -8.148 -9.980 3.448 1.00 0.00 N ATOM 711 CA GLN A 462 -9.305 -10.859 3.414 1.00 0.00 C ATOM 712 C GLN A 462 -9.835 -11.095 4.830 1.00 0.00 C ATOM 713 O GLN A 462 -9.775 -10.205 5.676 1.00 0.00 O ATOM 714 CB GLN A 462 -8.968 -12.181 2.726 1.00 0.00 C ATOM 715 CG GLN A 462 -10.175 -12.724 1.956 1.00 0.00 C ATOM 716 CD GLN A 462 -10.107 -14.247 1.829 1.00 0.00 C ATOM 717 OE1 GLN A 462 -8.870 -14.726 1.739 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -11.110 -14.940 1.814 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.360 -8.990 3.321 1.00 0.00 H new ATOM 0 HA GLN A 462 -10.088 -10.374 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -8.132 -12.036 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.649 -12.911 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -11.095 -12.439 2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -10.210 -12.274 0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -12.030 -14.507 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -11.029 -15.953 1.728 1.00 0.00 H new ATOM 727 N ASN A 463 -10.341 -12.301 5.043 1.00 0.00 N ATOM 728 CA ASN A 463 -10.881 -12.666 6.341 1.00 0.00 C ATOM 729 C ASN A 463 -10.029 -13.783 6.947 1.00 0.00 C ATOM 730 O ASN A 463 -10.560 -14.729 7.527 1.00 0.00 O ATOM 731 CB ASN A 463 -12.315 -13.182 6.216 1.00 0.00 C ATOM 732 CG ASN A 463 -12.371 -14.444 5.354 1.00 0.00 C ATOM 733 OD1 ASN A 463 -12.604 -14.209 4.066 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -12.216 -15.558 5.826 1.00 0.00 N flip ATOM 0 H ASN A 463 -10.388 -13.037 4.339 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.871 -11.777 6.972 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -12.716 -13.396 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -12.946 -12.409 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -12.040 -15.669 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.262 -16.379 5.222 1.00 0.00 H new ATOM 741 N ASP A 464 -8.721 -13.639 6.790 1.00 0.00 N ATOM 742 CA ASP A 464 -7.790 -14.624 7.314 1.00 0.00 C ATOM 743 C ASP A 464 -6.462 -13.939 7.647 1.00 0.00 C ATOM 744 O ASP A 464 -5.394 -14.510 7.432 1.00 0.00 O ATOM 745 CB ASP A 464 -7.511 -15.720 6.284 1.00 0.00 C ATOM 746 CG ASP A 464 -7.573 -15.267 4.824 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.290 -15.857 4.002 1.00 0.00 O ATOM 748 OD2 ASP A 464 -6.835 -14.248 4.538 1.00 0.00 O ATOM 0 H ASP A 464 -8.284 -12.854 6.307 1.00 0.00 H new ATOM 0 HA ASP A 464 -8.236 -15.069 8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -6.522 -16.136 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -8.230 -16.526 6.429 1.00 0.00 H new ATOM 754 N ALA A 465 -6.574 -12.725 8.167 1.00 0.00 N ATOM 755 CA ALA A 465 -5.396 -11.956 8.530 1.00 0.00 C ATOM 756 C ALA A 465 -5.822 -10.733 9.345 1.00 0.00 C ATOM 757 O ALA A 465 -6.772 -10.042 8.982 1.00 0.00 O ATOM 758 CB ALA A 465 -4.624 -11.574 7.266 1.00 0.00 C ATOM 0 H ALA A 465 -7.462 -12.256 8.345 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.727 -12.551 9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.741 -10.997 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -4.318 -12.478 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.262 -10.974 6.617 1.00 0.00 H new ATOM 764 N THR A 466 -5.098 -10.504 10.432 1.00 0.00 N ATOM 765 CA THR A 466 -5.390 -9.377 11.301 1.00 0.00 C ATOM 766 C THR A 466 -4.842 -8.082 10.699 1.00 0.00 C ATOM 767 O THR A 466 -3.628 -7.887 10.641 1.00 0.00 O ATOM 768 CB THR A 466 -4.823 -9.690 12.687 1.00 0.00 C ATOM 769 OG1 THR A 466 -5.822 -9.213 13.586 1.00 0.00 O ATOM 770 CG2 THR A 466 -3.589 -8.849 13.018 1.00 0.00 C ATOM 0 H THR A 466 -4.311 -11.080 10.730 1.00 0.00 H new ATOM 0 HA THR A 466 -6.464 -9.222 11.400 1.00 0.00 H new ATOM 0 HB THR A 466 -4.566 -10.748 12.744 1.00 0.00 H new ATOM 0 HG1 THR A 466 -5.537 -9.377 14.509 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.227 -9.110 14.012 1.00 0.00 H new ATOM 0 HG22 THR A 466 -2.808 -9.045 12.284 1.00 0.00 H new ATOM 0 HG23 THR A 466 -3.852 -7.792 12.994 1.00 0.00 H new ATOM 778 N CYS A 467 -5.761 -7.233 10.264 1.00 0.00 N ATOM 779 CA CYS A 467 -5.383 -5.963 9.668 1.00 0.00 C ATOM 780 C CYS A 467 -4.832 -5.058 10.772 1.00 0.00 C ATOM 781 O CYS A 467 -5.419 -4.958 11.849 1.00 0.00 O ATOM 782 CB CYS A 467 -6.557 -5.314 8.930 1.00 0.00 C ATOM 783 SG CYS A 467 -7.395 -3.973 9.852 1.00 0.00 S ATOM 0 H CYS A 467 -6.766 -7.399 10.312 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.611 -6.126 8.916 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.196 -4.914 7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.290 -6.085 8.692 1.00 0.00 H new ATOM 788 N LEU A 468 -3.710 -4.422 10.466 1.00 0.00 N ATOM 789 CA LEU A 468 -3.074 -3.530 11.420 1.00 0.00 C ATOM 790 C LEU A 468 -2.677 -2.232 10.711 1.00 0.00 C ATOM 791 O LEU A 468 -1.610 -2.154 10.104 1.00 0.00 O ATOM 792 CB LEU A 468 -1.906 -4.233 12.115 1.00 0.00 C ATOM 793 CG LEU A 468 -2.260 -5.053 13.357 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.997 -5.509 14.090 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.207 -4.279 14.275 1.00 0.00 C ATOM 0 H LEU A 468 -3.226 -4.507 9.572 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.771 -3.261 12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.424 -4.893 11.394 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.171 -3.480 12.399 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.788 -5.950 13.034 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.276 -6.090 14.969 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.393 -6.126 13.425 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.421 -4.637 14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.442 -4.885 15.150 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.729 -3.353 14.593 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -4.126 -4.047 13.737 1.00 0.00 H new ATOM 807 N ASP A 469 -3.558 -1.249 10.811 1.00 0.00 N ATOM 808 CA ASP A 469 -3.314 0.042 10.188 1.00 0.00 C ATOM 809 C ASP A 469 -2.114 0.710 10.863 1.00 0.00 C ATOM 810 O ASP A 469 -2.095 0.874 12.081 1.00 0.00 O ATOM 811 CB ASP A 469 -4.522 0.967 10.344 1.00 0.00 C ATOM 812 CG ASP A 469 -4.413 2.302 9.606 1.00 0.00 C ATOM 813 OD1 ASP A 469 -5.140 3.260 9.907 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.526 2.337 8.671 1.00 0.00 O ATOM 0 H ASP A 469 -4.443 -1.319 11.314 1.00 0.00 H new ATOM 0 HA ASP A 469 -3.125 -0.125 9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -5.410 0.444 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.673 1.167 11.405 1.00 0.00 H new ATOM 820 N GLN A 470 -1.142 1.078 10.040 1.00 0.00 N ATOM 821 CA GLN A 470 0.056 1.725 10.542 1.00 0.00 C ATOM 822 C GLN A 470 0.277 3.063 9.831 1.00 0.00 C ATOM 823 O GLN A 470 -0.578 3.511 9.067 1.00 0.00 O ATOM 824 CB GLN A 470 1.278 0.815 10.386 1.00 0.00 C ATOM 825 CG GLN A 470 1.599 0.099 11.700 1.00 0.00 C ATOM 826 CD GLN A 470 1.802 -1.400 11.472 1.00 0.00 C ATOM 827 OE1 GLN A 470 0.673 -2.103 11.458 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 2.910 -1.886 11.317 1.00 0.00 N flip ATOM 0 H GLN A 470 -1.161 0.940 9.030 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.080 1.919 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.091 0.080 9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 470 2.138 1.406 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.498 0.528 12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.788 0.256 12.411 1.00 0.00 H new ATOM 0 HE21 GLN A 470 3.737 -1.289 11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.010 -2.890 11.165 1.00 0.00 H new ATOM 837 N ILE A 471 1.424 3.662 10.108 1.00 0.00 N ATOM 838 CA ILE A 471 1.766 4.939 9.504 1.00 0.00 C ATOM 839 C ILE A 471 1.987 4.745 8.003 1.00 0.00 C ATOM 840 O ILE A 471 2.927 4.067 7.592 1.00 0.00 O ATOM 841 CB ILE A 471 2.960 5.570 10.225 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.902 4.495 10.769 1.00 0.00 C ATOM 843 CG2 ILE A 471 2.493 6.532 11.320 1.00 0.00 C ATOM 844 CD1 ILE A 471 4.268 3.484 9.681 1.00 0.00 C ATOM 0 H ILE A 471 2.129 3.288 10.743 1.00 0.00 H new ATOM 0 HA ILE A 471 0.944 5.646 9.617 1.00 0.00 H new ATOM 0 HB ILE A 471 3.526 6.157 9.501 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.808 4.962 11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 471 3.428 3.980 11.604 1.00 0.00 H new ATOM 0 HG21 ILE A 471 3.360 6.967 11.817 1.00 0.00 H new ATOM 0 HG22 ILE A 471 1.894 7.326 10.875 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.892 5.989 12.049 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.939 2.731 10.095 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.363 3.001 9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.764 3.999 8.858 1.00 0.00 H new ATOM 856 N GLY A 472 1.104 5.354 7.224 1.00 0.00 N ATOM 857 CA GLY A 472 1.190 5.257 5.777 1.00 0.00 C ATOM 858 C GLY A 472 1.541 3.833 5.343 1.00 0.00 C ATOM 859 O GLY A 472 2.134 3.631 4.284 1.00 0.00 O ATOM 0 H GLY A 472 0.326 5.916 7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.240 5.553 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.945 5.950 5.407 1.00 0.00 H new ATOM 863 N GLU A 473 1.160 2.882 6.183 1.00 0.00 N ATOM 864 CA GLU A 473 1.428 1.482 5.898 1.00 0.00 C ATOM 865 C GLU A 473 0.593 0.585 6.816 1.00 0.00 C ATOM 866 O GLU A 473 0.150 1.018 7.878 1.00 0.00 O ATOM 867 CB GLU A 473 2.919 1.169 6.037 1.00 0.00 C ATOM 868 CG GLU A 473 3.342 1.151 7.507 1.00 0.00 C ATOM 869 CD GLU A 473 4.098 -0.134 7.844 1.00 0.00 C ATOM 870 OE1 GLU A 473 4.877 -0.632 7.017 1.00 0.00 O ATOM 871 OE2 GLU A 473 3.856 -0.619 9.016 1.00 0.00 O ATOM 0 H GLU A 473 0.668 3.053 7.060 1.00 0.00 H new ATOM 0 HA GLU A 473 1.143 1.281 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.135 0.203 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.502 1.914 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.973 2.014 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.461 1.237 8.144 1.00 0.00 H new ATOM 879 N PHE A 474 0.403 -0.648 6.372 1.00 0.00 N ATOM 880 CA PHE A 474 -0.371 -1.609 7.138 1.00 0.00 C ATOM 881 C PHE A 474 0.237 -3.009 7.037 1.00 0.00 C ATOM 882 O PHE A 474 1.010 -3.290 6.121 1.00 0.00 O ATOM 883 CB PHE A 474 -1.779 -1.633 6.537 1.00 0.00 C ATOM 884 CG PHE A 474 -2.081 -2.885 5.711 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.411 -4.047 6.336 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.021 -2.835 4.354 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.692 -5.209 5.570 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.303 -3.997 3.587 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.633 -5.160 4.212 1.00 0.00 C ATOM 0 H PHE A 474 0.772 -1.004 5.490 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.383 -1.322 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.509 -1.557 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.909 -0.754 5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -2.459 -4.086 7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -1.759 -1.912 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.953 -6.132 6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -2.256 -3.958 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.848 -6.044 3.630 1.00 0.00 H new ATOM 899 N GLN A 475 -0.134 -3.852 7.990 1.00 0.00 N ATOM 900 CA GLN A 475 0.366 -5.216 8.020 1.00 0.00 C ATOM 901 C GLN A 475 -0.743 -6.178 8.449 1.00 0.00 C ATOM 902 O GLN A 475 -1.467 -5.909 9.407 1.00 0.00 O ATOM 903 CB GLN A 475 1.583 -5.335 8.939 1.00 0.00 C ATOM 904 CG GLN A 475 1.160 -5.694 10.365 1.00 0.00 C ATOM 905 CD GLN A 475 2.374 -5.794 11.289 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.135 -4.856 11.460 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.513 -6.981 11.873 1.00 0.00 N ATOM 0 H GLN A 475 -0.775 -3.616 8.747 1.00 0.00 H new ATOM 0 HA GLN A 475 0.686 -5.487 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.261 -6.097 8.554 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.132 -4.394 8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.471 -4.939 10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.623 -6.642 10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 475 1.839 -7.724 11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 475 3.293 -7.149 12.508 1.00 0.00 H new ATOM 916 N CYS A 476 -0.842 -7.281 7.720 1.00 0.00 N ATOM 917 CA CYS A 476 -1.851 -8.285 8.014 1.00 0.00 C ATOM 918 C CYS A 476 -1.139 -9.567 8.451 1.00 0.00 C ATOM 919 O CYS A 476 -0.330 -10.117 7.704 1.00 0.00 O ATOM 920 CB CYS A 476 -2.777 -8.522 6.821 1.00 0.00 C ATOM 921 SG CYS A 476 -1.976 -8.362 5.184 1.00 0.00 S ATOM 0 H CYS A 476 -0.240 -7.501 6.927 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.493 -7.935 8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.205 -9.521 6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.605 -7.815 6.875 1.00 0.00 H new ATOM 926 N ILE A 477 -1.466 -10.006 9.657 1.00 0.00 N ATOM 927 CA ILE A 477 -0.869 -11.214 10.201 1.00 0.00 C ATOM 928 C ILE A 477 -1.753 -12.414 9.860 1.00 0.00 C ATOM 929 O ILE A 477 -2.894 -12.499 10.316 1.00 0.00 O ATOM 930 CB ILE A 477 -0.601 -11.053 11.699 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.501 -10.021 11.951 1.00 0.00 C ATOM 932 CG2 ILE A 477 -0.285 -12.400 12.348 1.00 0.00 C ATOM 933 CD1 ILE A 477 1.741 -10.328 11.110 1.00 0.00 C ATOM 0 H ILE A 477 -2.137 -9.547 10.273 1.00 0.00 H new ATOM 0 HA ILE A 477 0.104 -11.395 9.745 1.00 0.00 H new ATOM 0 HB ILE A 477 -1.509 -10.676 12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.132 -9.024 11.711 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.766 -10.017 13.008 1.00 0.00 H new ATOM 0 HG21 ILE A 477 -0.099 -12.256 13.412 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -1.131 -13.075 12.216 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.600 -12.831 11.880 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.509 -9.580 11.308 1.00 0.00 H new ATOM 0 HD12 ILE A 477 2.121 -11.316 11.370 1.00 0.00 H new ATOM 0 HD13 ILE A 477 1.478 -10.307 10.052 1.00 0.00 H new ATOM 945 N CYS A 478 -1.197 -13.313 9.061 1.00 0.00 N ATOM 946 CA CYS A 478 -1.921 -14.504 8.654 1.00 0.00 C ATOM 947 C CYS A 478 -1.307 -15.708 9.370 1.00 0.00 C ATOM 948 O CYS A 478 -0.440 -15.549 10.228 1.00 0.00 O ATOM 949 CB CYS A 478 -1.913 -14.679 7.134 1.00 0.00 C ATOM 950 SG CYS A 478 -0.609 -13.739 6.259 1.00 0.00 S ATOM 0 H CYS A 478 -0.252 -13.240 8.684 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.969 -14.410 8.938 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -1.793 -15.738 6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -2.884 -14.376 6.743 1.00 0.00 H new ATOM 955 N MET A 479 -1.779 -16.887 8.989 1.00 0.00 N ATOM 956 CA MET A 479 -1.287 -18.118 9.586 1.00 0.00 C ATOM 957 C MET A 479 0.010 -18.571 8.911 1.00 0.00 C ATOM 958 O MET A 479 0.242 -18.277 7.740 1.00 0.00 O ATOM 959 CB MET A 479 -2.346 -19.212 9.445 1.00 0.00 C ATOM 960 CG MET A 479 -3.378 -19.124 10.571 1.00 0.00 C ATOM 961 SD MET A 479 -4.779 -20.164 10.197 1.00 0.00 S ATOM 962 CE MET A 479 -4.125 -21.753 10.684 1.00 0.00 C ATOM 0 H MET A 479 -2.496 -17.016 8.275 1.00 0.00 H new ATOM 0 HA MET A 479 -1.082 -17.934 10.641 1.00 0.00 H new ATOM 0 HB2 MET A 479 -2.846 -19.118 8.481 1.00 0.00 H new ATOM 0 HB3 MET A 479 -1.867 -20.191 9.461 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.927 -19.433 11.514 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.704 -18.092 10.697 1.00 0.00 H new ATOM 0 HE1 MET A 479 -4.877 -22.523 10.515 1.00 0.00 H new ATOM 0 HE2 MET A 479 -3.237 -21.977 10.093 1.00 0.00 H new ATOM 0 HE3 MET A 479 -3.861 -21.729 11.741 1.00 0.00 H new ATOM 972 N PRO A 480 0.843 -19.301 9.700 1.00 0.00 N ATOM 973 CA PRO A 480 2.110 -19.799 9.193 1.00 0.00 C ATOM 974 C PRO A 480 1.896 -20.992 8.258 1.00 0.00 C ATOM 975 O PRO A 480 2.460 -22.064 8.475 1.00 0.00 O ATOM 976 CB PRO A 480 2.919 -20.152 10.430 1.00 0.00 C ATOM 977 CG PRO A 480 1.912 -20.278 11.563 1.00 0.00 C ATOM 978 CD PRO A 480 0.602 -19.670 11.093 1.00 0.00 C ATOM 0 HA PRO A 480 2.637 -19.063 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 480 3.465 -21.084 10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 480 3.657 -19.380 10.647 1.00 0.00 H new ATOM 0 HG2 PRO A 480 1.771 -21.324 11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 480 2.273 -19.764 12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -0.218 -20.383 11.178 1.00 0.00 H new ATOM 0 HD3 PRO A 480 0.332 -18.800 11.692 1.00 0.00 H new ATOM 986 N GLY A 481 1.079 -20.765 7.240 1.00 0.00 N ATOM 987 CA GLY A 481 0.783 -21.809 6.272 1.00 0.00 C ATOM 988 C GLY A 481 0.519 -21.212 4.888 1.00 0.00 C ATOM 989 O GLY A 481 1.008 -21.727 3.883 1.00 0.00 O ATOM 0 H GLY A 481 0.613 -19.875 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 481 1.618 -22.507 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -0.087 -22.378 6.599 1.00 0.00 H new ATOM 993 N TYR A 482 -0.252 -20.135 4.879 1.00 0.00 N ATOM 994 CA TYR A 482 -0.586 -19.463 3.635 1.00 0.00 C ATOM 995 C TYR A 482 0.056 -18.074 3.572 1.00 0.00 C ATOM 996 O TYR A 482 0.598 -17.592 4.565 1.00 0.00 O ATOM 997 CB TYR A 482 -2.108 -19.308 3.635 1.00 0.00 C ATOM 998 CG TYR A 482 -2.859 -20.551 3.156 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.028 -21.626 4.005 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -3.368 -20.600 1.873 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -3.736 -22.797 3.555 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -4.075 -21.771 1.423 1.00 0.00 C ATOM 1003 CZ TYR A 482 -4.224 -22.810 2.286 1.00 0.00 C ATOM 1004 OH TYR A 482 -4.892 -23.916 1.858 1.00 0.00 O ATOM 0 H TYR A 482 -0.655 -19.711 5.714 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.224 -20.035 2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -2.438 -19.063 4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.377 -18.465 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -2.629 -21.589 5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -3.236 -19.760 1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -3.876 -23.644 4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -4.478 -21.822 0.422 1.00 0.00 H new ATOM 0 HH TYR A 482 -5.184 -23.784 0.932 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.026 -17.473 2.396 1.00 0.00 N ATOM 1015 CA GLU A 483 0.538 -16.150 2.189 1.00 0.00 C ATOM 1016 C GLU A 483 -0.127 -15.468 0.991 1.00 0.00 C ATOM 1017 O GLU A 483 -1.031 -16.033 0.375 1.00 0.00 O ATOM 1018 CB GLU A 483 2.055 -16.225 2.003 1.00 0.00 C ATOM 1019 CG GLU A 483 2.769 -15.219 2.907 1.00 0.00 C ATOM 1020 CD GLU A 483 4.245 -15.087 2.524 1.00 0.00 C ATOM 1021 OE1 GLU A 483 4.625 -14.123 1.843 1.00 0.00 O ATOM 1022 OE2 GLU A 483 5.008 -16.031 2.961 1.00 0.00 O ATOM 0 H GLU A 483 -0.475 -17.878 1.575 1.00 0.00 H new ATOM 0 HA GLU A 483 0.341 -15.550 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 483 2.403 -17.233 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 483 2.307 -16.026 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.282 -14.247 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 483 2.687 -15.537 3.946 1.00 0.00 H new ATOM 1030 N GLY A 484 0.344 -14.266 0.698 1.00 0.00 N ATOM 1031 CA GLY A 484 -0.193 -13.501 -0.414 1.00 0.00 C ATOM 1032 C GLY A 484 -0.826 -12.196 0.072 1.00 0.00 C ATOM 1033 O GLY A 484 -0.696 -11.838 1.242 1.00 0.00 O ATOM 0 H GLY A 484 1.093 -13.802 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.602 -13.280 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.938 -14.096 -0.943 1.00 0.00 H new ATOM 1037 N VAL A 485 -1.497 -11.521 -0.850 1.00 0.00 N ATOM 1038 CA VAL A 485 -2.149 -10.263 -0.529 1.00 0.00 C ATOM 1039 C VAL A 485 -3.355 -10.535 0.373 1.00 0.00 C ATOM 1040 O VAL A 485 -3.674 -9.731 1.248 1.00 0.00 O ATOM 1041 CB VAL A 485 -2.519 -9.523 -1.815 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -4.038 -9.391 -1.954 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -1.842 -8.153 -1.875 1.00 0.00 C ATOM 0 H VAL A 485 -1.603 -11.822 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 485 -1.471 -9.611 0.022 1.00 0.00 H new ATOM 0 HB VAL A 485 -2.155 -10.113 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -4.274 -8.861 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -4.489 -10.383 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -4.434 -8.835 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -2.123 -7.649 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -2.160 -7.552 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -0.760 -8.280 -1.845 1.00 0.00 H new ATOM 1053 N HIS A 486 -3.994 -11.670 0.127 1.00 0.00 N ATOM 1054 CA HIS A 486 -5.157 -12.057 0.906 1.00 0.00 C ATOM 1055 C HIS A 486 -4.790 -13.216 1.836 1.00 0.00 C ATOM 1056 O HIS A 486 -5.656 -13.781 2.502 1.00 0.00 O ATOM 1057 CB HIS A 486 -6.339 -12.384 -0.008 1.00 0.00 C ATOM 1058 CG HIS A 486 -6.068 -12.135 -1.474 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -5.165 -12.703 -2.322 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -6.773 -11.206 -2.218 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -5.308 -12.151 -3.520 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -6.306 -11.224 -3.458 1.00 0.00 N flip ATOM 0 H HIS A 486 -3.728 -12.333 -0.601 1.00 0.00 H new ATOM 0 HA HIS A 486 -5.474 -11.222 1.530 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -6.612 -13.430 0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -7.198 -11.788 0.299 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -7.568 -10.574 -1.851 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -4.730 -12.395 -4.399 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -6.635 -10.646 -4.231 1.00 0.00 H new ATOM 1070 N CYS A 487 -3.504 -13.534 1.853 1.00 0.00 N ATOM 1071 CA CYS A 487 -3.012 -14.615 2.691 1.00 0.00 C ATOM 1072 C CYS A 487 -3.968 -15.800 2.556 1.00 0.00 C ATOM 1073 O CYS A 487 -4.374 -16.391 3.557 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.850 -14.173 4.146 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.380 -13.134 4.475 1.00 0.00 S ATOM 0 H CYS A 487 -2.788 -13.063 1.300 1.00 0.00 H new ATOM 0 HA CYS A 487 -2.018 -14.913 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.741 -13.621 4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.798 -15.060 4.777 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.303 -16.114 1.313 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.204 -17.219 1.035 1.00 0.00 C ATOM 1082 C GLU A 488 -4.578 -18.172 0.016 1.00 0.00 C ATOM 1083 O GLU A 488 -5.174 -19.189 -0.335 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.562 -16.708 0.547 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.632 -17.796 0.666 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.086 -17.959 2.118 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -9.173 -17.486 2.485 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -7.268 -18.605 2.878 1.00 0.00 O ATOM 0 H GLU A 488 -3.966 -15.621 0.486 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.370 -17.769 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.858 -15.836 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.481 -16.384 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -8.487 -17.541 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -7.237 -18.742 0.296 1.00 0.00 H new ATOM 1096 N VAL A 489 -3.384 -17.809 -0.429 1.00 0.00 N ATOM 1097 CA VAL A 489 -2.670 -18.621 -1.401 1.00 0.00 C ATOM 1098 C VAL A 489 -1.780 -19.624 -0.666 1.00 0.00 C ATOM 1099 O VAL A 489 -0.864 -19.235 0.058 1.00 0.00 O ATOM 1100 CB VAL A 489 -1.889 -17.721 -2.361 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.438 -16.293 -2.343 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -0.394 -17.737 -2.035 1.00 0.00 C ATOM 0 H VAL A 489 -2.893 -16.965 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 489 -3.371 -19.193 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 489 -2.016 -18.117 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -1.865 -15.674 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -3.485 -16.302 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -2.355 -15.884 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 489 0.137 -17.089 -2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -0.240 -17.379 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -0.013 -18.755 -2.123 1.00 0.00 H new ATOM 1112 N ASN A 490 -2.081 -20.898 -0.875 1.00 0.00 N ATOM 1113 CA ASN A 490 -1.319 -21.961 -0.240 1.00 0.00 C ATOM 1114 C ASN A 490 0.067 -22.041 -0.882 1.00 0.00 C ATOM 1115 O ASN A 490 0.261 -22.757 -1.862 1.00 0.00 O ATOM 1116 CB ASN A 490 -2.005 -23.316 -0.427 1.00 0.00 C ATOM 1117 CG ASN A 490 -2.551 -23.464 -1.849 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -2.197 -22.729 -2.756 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -3.431 -24.450 -1.990 1.00 0.00 N ATOM 0 H ASN A 490 -2.842 -21.218 -1.475 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.247 -21.736 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -1.296 -24.118 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -2.819 -23.418 0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -3.855 -24.629 -2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -3.683 -25.028 -1.188 1.00 0.00 H new ATOM 1126 N THR A 491 0.997 -21.295 -0.303 1.00 0.00 N ATOM 1127 CA THR A 491 2.360 -21.273 -0.805 1.00 0.00 C ATOM 1128 C THR A 491 2.366 -21.062 -2.320 1.00 0.00 C ATOM 1129 O THR A 491 1.310 -21.004 -2.946 1.00 0.00 O ATOM 1130 CB THR A 491 3.045 -22.569 -0.368 1.00 0.00 C ATOM 1131 OG1 THR A 491 4.381 -22.434 -0.846 1.00 0.00 O ATOM 1132 CG2 THR A 491 2.507 -23.795 -1.110 1.00 0.00 C ATOM 0 H THR A 491 0.833 -20.701 0.510 1.00 0.00 H new ATOM 0 HA THR A 491 2.922 -20.436 -0.390 1.00 0.00 H new ATOM 0 HB THR A 491 2.911 -22.706 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 491 4.897 -23.231 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 491 3.027 -24.688 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 491 1.439 -23.898 -0.916 1.00 0.00 H new ATOM 0 HG23 THR A 491 2.671 -23.673 -2.181 1.00 0.00 H new ATOM 1140 N ASP A 492 3.570 -20.953 -2.865 1.00 0.00 N ATOM 1141 CA ASP A 492 3.728 -20.750 -4.296 1.00 0.00 C ATOM 1142 C ASP A 492 3.967 -22.100 -4.973 1.00 0.00 C ATOM 1143 O ASP A 492 4.369 -23.064 -4.322 1.00 0.00 O ATOM 1144 CB ASP A 492 4.927 -19.851 -4.594 1.00 0.00 C ATOM 1145 CG ASP A 492 4.734 -18.881 -5.762 1.00 0.00 C ATOM 1146 OD1 ASP A 492 5.117 -17.703 -5.685 1.00 0.00 O ATOM 1147 OD2 ASP A 492 4.155 -19.385 -6.798 1.00 0.00 O ATOM 0 H ASP A 492 4.444 -21.001 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 492 2.821 -20.277 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 492 5.162 -19.276 -3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 492 5.791 -20.481 -4.804 1.00 0.00 H new ATOM 1153 N GLU A 493 3.713 -22.126 -6.274 1.00 0.00 N ATOM 1154 CA GLU A 493 3.897 -23.342 -7.048 1.00 0.00 C ATOM 1155 C GLU A 493 4.362 -23.004 -8.466 1.00 0.00 C ATOM 1156 O GLU A 493 4.183 -23.799 -9.387 1.00 0.00 O ATOM 1157 CB GLU A 493 2.613 -24.174 -7.075 1.00 0.00 C ATOM 1158 CG GLU A 493 1.391 -23.287 -7.327 1.00 0.00 C ATOM 1159 CD GLU A 493 0.922 -22.618 -6.034 1.00 0.00 C ATOM 1160 OE1 GLU A 493 0.181 -23.231 -5.252 1.00 0.00 O ATOM 1161 OE2 GLU A 493 1.359 -21.419 -5.853 1.00 0.00 O ATOM 0 H GLU A 493 3.381 -21.325 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 493 4.670 -23.942 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 493 2.683 -24.933 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 493 2.496 -24.700 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 493 1.637 -22.525 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 493 0.582 -23.887 -7.744 1.00 0.00 H new ATOM 1169 N CYS A 494 4.948 -21.822 -8.596 1.00 0.00 N ATOM 1170 CA CYS A 494 5.439 -21.369 -9.886 1.00 0.00 C ATOM 1171 C CYS A 494 6.927 -21.710 -9.980 1.00 0.00 C ATOM 1172 O CYS A 494 7.623 -21.224 -10.869 1.00 0.00 O ATOM 1173 CB CYS A 494 5.181 -19.875 -10.096 1.00 0.00 C ATOM 1174 SG CYS A 494 6.485 -18.772 -9.439 1.00 0.00 S ATOM 0 H CYS A 494 5.093 -21.165 -7.829 1.00 0.00 H new ATOM 0 HA CYS A 494 4.899 -21.880 -10.684 1.00 0.00 H new ATOM 0 HB2 CYS A 494 5.069 -19.686 -11.164 1.00 0.00 H new ATOM 0 HB3 CYS A 494 4.233 -19.615 -9.625 1.00 0.00 H new ATOM 1179 N ALA A 495 7.371 -22.543 -9.050 1.00 0.00 N ATOM 1180 CA ALA A 495 8.764 -22.955 -9.018 1.00 0.00 C ATOM 1181 C ALA A 495 9.058 -23.840 -10.231 1.00 0.00 C ATOM 1182 O ALA A 495 10.219 -24.087 -10.555 1.00 0.00 O ATOM 1183 CB ALA A 495 9.055 -23.667 -7.694 1.00 0.00 C ATOM 0 H ALA A 495 6.791 -22.944 -8.313 1.00 0.00 H new ATOM 0 HA ALA A 495 9.422 -22.088 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 495 10.100 -23.976 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 495 8.858 -22.988 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 495 8.415 -24.544 -7.604 1.00 0.00 H new ATOM 1189 N SER A 496 7.989 -24.291 -10.869 1.00 0.00 N ATOM 1190 CA SER A 496 8.118 -25.142 -12.038 1.00 0.00 C ATOM 1191 C SER A 496 7.833 -24.335 -13.306 1.00 0.00 C ATOM 1192 O SER A 496 7.439 -24.896 -14.329 1.00 0.00 O ATOM 1193 CB SER A 496 7.177 -26.345 -11.951 1.00 0.00 C ATOM 1194 OG SER A 496 7.597 -27.282 -10.963 1.00 0.00 O ATOM 0 H SER A 496 7.028 -24.083 -10.598 1.00 0.00 H new ATOM 0 HA SER A 496 9.140 -25.518 -12.076 1.00 0.00 H new ATOM 0 HB2 SER A 496 6.169 -26.001 -11.719 1.00 0.00 H new ATOM 0 HB3 SER A 496 7.129 -26.839 -12.922 1.00 0.00 H new ATOM 0 HG SER A 496 6.969 -28.034 -10.938 1.00 0.00 H new ATOM 1200 N SER A 497 8.043 -23.031 -13.199 1.00 0.00 N ATOM 1201 CA SER A 497 7.813 -22.141 -14.325 1.00 0.00 C ATOM 1202 C SER A 497 8.439 -20.774 -14.047 1.00 0.00 C ATOM 1203 O SER A 497 7.792 -19.893 -13.483 1.00 0.00 O ATOM 1204 CB SER A 497 6.317 -21.992 -14.611 1.00 0.00 C ATOM 1205 OG SER A 497 5.533 -22.082 -13.425 1.00 0.00 O ATOM 0 H SER A 497 8.370 -22.569 -12.350 1.00 0.00 H new ATOM 0 HA SER A 497 8.283 -22.576 -15.207 1.00 0.00 H new ATOM 0 HB2 SER A 497 6.135 -21.032 -15.094 1.00 0.00 H new ATOM 0 HB3 SER A 497 6.004 -22.766 -15.312 1.00 0.00 H new ATOM 0 HG SER A 497 4.608 -22.304 -13.660 1.00 0.00 H new ATOM 1211 N PRO A 498 9.725 -20.635 -14.468 1.00 0.00 N ATOM 1212 CA PRO A 498 10.447 -19.390 -14.270 1.00 0.00 C ATOM 1213 C PRO A 498 9.972 -18.319 -15.255 1.00 0.00 C ATOM 1214 O PRO A 498 9.773 -17.166 -14.875 1.00 0.00 O ATOM 1215 CB PRO A 498 11.913 -19.752 -14.448 1.00 0.00 C ATOM 1216 CG PRO A 498 11.927 -21.078 -15.191 1.00 0.00 C ATOM 1217 CD PRO A 498 10.523 -21.657 -15.140 1.00 0.00 C ATOM 0 HA PRO A 498 10.275 -18.956 -13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 498 12.440 -18.982 -15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 498 12.414 -19.839 -13.484 1.00 0.00 H new ATOM 0 HG2 PRO A 498 12.243 -20.933 -16.224 1.00 0.00 H new ATOM 0 HG3 PRO A 498 12.640 -21.764 -14.733 1.00 0.00 H new ATOM 0 HD2 PRO A 498 10.143 -21.862 -16.141 1.00 0.00 H new ATOM 0 HD3 PRO A 498 10.503 -22.599 -14.592 1.00 0.00 H new ATOM 1225 N CYS A 499 9.809 -18.738 -16.502 1.00 0.00 N ATOM 1226 CA CYS A 499 9.362 -17.830 -17.543 1.00 0.00 C ATOM 1227 C CYS A 499 10.549 -16.962 -17.967 1.00 0.00 C ATOM 1228 O CYS A 499 10.822 -16.816 -19.157 1.00 0.00 O ATOM 1229 CB CYS A 499 8.172 -16.984 -17.085 1.00 0.00 C ATOM 1230 SG CYS A 499 6.825 -17.926 -16.280 1.00 0.00 S ATOM 0 H CYS A 499 9.979 -19.694 -16.814 1.00 0.00 H new ATOM 0 HA CYS A 499 9.008 -18.403 -18.400 1.00 0.00 H new ATOM 0 HB2 CYS A 499 8.530 -16.224 -16.390 1.00 0.00 H new ATOM 0 HB3 CYS A 499 7.764 -16.459 -17.949 1.00 0.00 H new ATOM 1235 N LEU A 500 11.222 -16.409 -16.968 1.00 0.00 N ATOM 1236 CA LEU A 500 12.375 -15.560 -17.221 1.00 0.00 C ATOM 1237 C LEU A 500 11.906 -14.250 -17.857 1.00 0.00 C ATOM 1238 O LEU A 500 10.741 -14.117 -18.227 1.00 0.00 O ATOM 1239 CB LEU A 500 13.418 -16.309 -18.052 1.00 0.00 C ATOM 1240 CG LEU A 500 14.855 -15.796 -17.944 1.00 0.00 C ATOM 1241 CD1 LEU A 500 15.180 -15.375 -16.509 1.00 0.00 C ATOM 1242 CD2 LEU A 500 15.849 -16.831 -18.475 1.00 0.00 C ATOM 0 H LEU A 500 10.991 -16.532 -15.982 1.00 0.00 H new ATOM 0 HA LEU A 500 12.872 -15.301 -16.286 1.00 0.00 H new ATOM 0 HB2 LEU A 500 13.404 -17.358 -17.756 1.00 0.00 H new ATOM 0 HB3 LEU A 500 13.117 -16.269 -19.099 1.00 0.00 H new ATOM 0 HG LEU A 500 14.948 -14.909 -18.570 1.00 0.00 H new ATOM 0 HD11 LEU A 500 16.207 -15.014 -16.459 1.00 0.00 H new ATOM 0 HD12 LEU A 500 14.501 -14.580 -16.200 1.00 0.00 H new ATOM 0 HD13 LEU A 500 15.063 -16.230 -15.844 1.00 0.00 H new ATOM 0 HD21 LEU A 500 16.863 -16.441 -18.386 1.00 0.00 H new ATOM 0 HD22 LEU A 500 15.762 -17.750 -17.895 1.00 0.00 H new ATOM 0 HD23 LEU A 500 15.631 -17.041 -19.522 1.00 0.00 H new ATOM 1254 N HIS A 501 12.839 -13.316 -17.963 1.00 0.00 N ATOM 1255 CA HIS A 501 12.537 -12.020 -18.548 1.00 0.00 C ATOM 1256 C HIS A 501 11.576 -11.256 -17.634 1.00 0.00 C ATOM 1257 O HIS A 501 11.954 -10.841 -16.539 1.00 0.00 O ATOM 1258 CB HIS A 501 12.001 -12.177 -19.972 1.00 0.00 C ATOM 1259 CG HIS A 501 13.030 -12.661 -20.966 1.00 0.00 C ATOM 1260 ND1 HIS A 501 12.822 -12.633 -22.333 1.00 0.00 N ATOM 1261 CD2 HIS A 501 14.275 -13.185 -20.775 1.00 0.00 C ATOM 1262 CE1 HIS A 501 13.900 -13.121 -22.931 1.00 0.00 C ATOM 1263 NE2 HIS A 501 14.799 -13.461 -21.963 1.00 0.00 N ATOM 0 H HIS A 501 13.804 -13.430 -17.654 1.00 0.00 H new ATOM 0 HA HIS A 501 13.451 -11.432 -18.629 1.00 0.00 H new ATOM 0 HB2 HIS A 501 11.166 -12.877 -19.960 1.00 0.00 H new ATOM 0 HB3 HIS A 501 11.608 -11.218 -20.309 1.00 0.00 H new ATOM 0 HD2 HIS A 501 14.753 -13.348 -19.820 1.00 0.00 H new ATOM 0 HE1 HIS A 501 14.041 -13.230 -23.996 1.00 0.00 H new ATOM 0 HE2 HIS A 501 15.723 -13.862 -22.125 1.00 0.00 H new ATOM 1271 N ASN A 502 10.354 -11.095 -18.117 1.00 0.00 N ATOM 1272 CA ASN A 502 9.338 -10.387 -17.357 1.00 0.00 C ATOM 1273 C ASN A 502 8.332 -11.396 -16.797 1.00 0.00 C ATOM 1274 O ASN A 502 7.615 -11.100 -15.843 1.00 0.00 O ATOM 1275 CB ASN A 502 8.573 -9.402 -18.243 1.00 0.00 C ATOM 1276 CG ASN A 502 9.525 -8.647 -19.172 1.00 0.00 C ATOM 1277 OD1 ASN A 502 10.671 -8.384 -18.848 1.00 0.00 O ATOM 1278 ND2 ASN A 502 8.990 -8.317 -20.345 1.00 0.00 N ATOM 0 H ASN A 502 10.044 -11.442 -19.025 1.00 0.00 H new ATOM 0 HA ASN A 502 9.836 -9.840 -16.556 1.00 0.00 H new ATOM 0 HB2 ASN A 502 7.832 -9.939 -18.835 1.00 0.00 H new ATOM 0 HB3 ASN A 502 8.029 -8.693 -17.619 1.00 0.00 H new ATOM 0 HD21 ASN A 502 9.547 -7.813 -21.036 1.00 0.00 H new ATOM 0 HD22 ASN A 502 8.023 -8.568 -20.553 1.00 0.00 H new ATOM 1285 N GLY A 503 8.313 -12.569 -17.414 1.00 0.00 N ATOM 1286 CA GLY A 503 7.408 -13.624 -16.989 1.00 0.00 C ATOM 1287 C GLY A 503 7.180 -13.574 -15.477 1.00 0.00 C ATOM 1288 O GLY A 503 8.089 -13.853 -14.698 1.00 0.00 O ATOM 0 H GLY A 503 8.910 -12.812 -18.205 1.00 0.00 H new ATOM 0 HA2 GLY A 503 6.455 -13.521 -17.508 1.00 0.00 H new ATOM 0 HA3 GLY A 503 7.819 -14.595 -17.267 1.00 0.00 H new ATOM 1292 N ARG A 504 5.959 -13.214 -15.107 1.00 0.00 N ATOM 1293 CA ARG A 504 5.599 -13.124 -13.702 1.00 0.00 C ATOM 1294 C ARG A 504 4.516 -14.150 -13.364 1.00 0.00 C ATOM 1295 O ARG A 504 3.400 -14.072 -13.877 1.00 0.00 O ATOM 1296 CB ARG A 504 5.092 -11.723 -13.352 1.00 0.00 C ATOM 1297 CG ARG A 504 5.878 -11.132 -12.181 1.00 0.00 C ATOM 1298 CD ARG A 504 4.948 -10.405 -11.207 1.00 0.00 C ATOM 1299 NE ARG A 504 5.446 -10.557 -9.822 1.00 0.00 N ATOM 1300 CZ ARG A 504 4.661 -10.497 -8.725 1.00 0.00 C ATOM 1301 NH1 ARG A 504 3.333 -10.287 -8.844 1.00 0.00 N ATOM 1302 NH2 ARG A 504 5.212 -10.647 -7.535 1.00 0.00 N ATOM 0 H ARG A 504 5.207 -12.981 -15.756 1.00 0.00 H new ATOM 0 HA ARG A 504 6.495 -13.331 -13.117 1.00 0.00 H new ATOM 0 HB2 ARG A 504 5.183 -11.072 -14.221 1.00 0.00 H new ATOM 0 HB3 ARG A 504 4.033 -11.769 -13.098 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.409 -11.927 -11.657 1.00 0.00 H new ATOM 0 HG3 ARG A 504 6.631 -10.439 -12.557 1.00 0.00 H new ATOM 0 HD2 ARG A 504 4.890 -9.348 -11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 504 3.939 -10.809 -11.285 1.00 0.00 H new ATOM 0 HE ARG A 504 6.444 -10.717 -9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 504 2.916 -10.172 -9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 504 2.747 -10.243 -8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 504 6.216 -10.805 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 504 4.633 -10.604 -6.696 1.00 0.00 H new ATOM 1315 N CYS A 505 4.881 -15.087 -12.502 1.00 0.00 N ATOM 1316 CA CYS A 505 3.954 -16.129 -12.091 1.00 0.00 C ATOM 1317 C CYS A 505 2.992 -15.534 -11.061 1.00 0.00 C ATOM 1318 O CYS A 505 3.394 -14.730 -10.221 1.00 0.00 O ATOM 1319 CB CYS A 505 4.689 -17.356 -11.545 1.00 0.00 C ATOM 1320 SG CYS A 505 5.965 -16.989 -10.287 1.00 0.00 S ATOM 0 H CYS A 505 5.806 -15.147 -12.076 1.00 0.00 H new ATOM 0 HA CYS A 505 3.389 -16.480 -12.954 1.00 0.00 H new ATOM 0 HB2 CYS A 505 3.957 -18.037 -11.112 1.00 0.00 H new ATOM 0 HB3 CYS A 505 5.159 -17.880 -12.377 1.00 0.00 H new ATOM 1325 N LEU A 506 1.740 -15.952 -11.160 1.00 0.00 N ATOM 1326 CA LEU A 506 0.716 -15.471 -10.246 1.00 0.00 C ATOM 1327 C LEU A 506 0.409 -16.557 -9.212 1.00 0.00 C ATOM 1328 O LEU A 506 0.222 -17.719 -9.566 1.00 0.00 O ATOM 1329 CB LEU A 506 -0.514 -14.996 -11.023 1.00 0.00 C ATOM 1330 CG LEU A 506 -0.990 -13.574 -10.721 1.00 0.00 C ATOM 1331 CD1 LEU A 506 0.062 -12.544 -11.138 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -2.348 -13.301 -11.371 1.00 0.00 C ATOM 0 H LEU A 506 1.410 -16.618 -11.858 1.00 0.00 H new ATOM 0 HA LEU A 506 1.074 -14.600 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -0.295 -15.066 -12.089 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -1.335 -15.684 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 506 -1.124 -13.480 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -0.301 -11.541 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 506 0.987 -12.727 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 506 0.251 -12.629 -12.208 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -2.664 -12.283 -11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -2.265 -13.419 -12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -3.085 -14.005 -10.985 1.00 0.00 H new ATOM 1344 N ASP A 507 0.369 -16.138 -7.957 1.00 0.00 N ATOM 1345 CA ASP A 507 0.089 -17.059 -6.869 1.00 0.00 C ATOM 1346 C ASP A 507 -1.423 -17.267 -6.759 1.00 0.00 C ATOM 1347 O ASP A 507 -2.130 -16.430 -6.201 1.00 0.00 O ATOM 1348 CB ASP A 507 0.587 -16.503 -5.533 1.00 0.00 C ATOM 1349 CG ASP A 507 1.349 -17.502 -4.661 1.00 0.00 C ATOM 1350 OD1 ASP A 507 2.518 -17.283 -4.312 1.00 0.00 O ATOM 1351 OD2 ASP A 507 0.683 -18.559 -4.333 1.00 0.00 O ATOM 0 H ASP A 507 0.526 -15.172 -7.669 1.00 0.00 H new ATOM 0 HA ASP A 507 0.601 -17.997 -7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 507 1.234 -15.649 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -0.269 -16.131 -4.970 1.00 0.00 H new ATOM 1357 N LYS A 508 -1.873 -18.390 -7.301 1.00 0.00 N ATOM 1358 CA LYS A 508 -3.288 -18.719 -7.272 1.00 0.00 C ATOM 1359 C LYS A 508 -3.510 -19.917 -6.347 1.00 0.00 C ATOM 1360 O LYS A 508 -2.605 -20.726 -6.144 1.00 0.00 O ATOM 1361 CB LYS A 508 -3.819 -18.933 -8.691 1.00 0.00 C ATOM 1362 CG LYS A 508 -3.535 -17.714 -9.572 1.00 0.00 C ATOM 1363 CD LYS A 508 -4.829 -16.976 -9.919 1.00 0.00 C ATOM 1364 CE LYS A 508 -4.532 -15.610 -10.541 1.00 0.00 C ATOM 1365 NZ LYS A 508 -5.789 -14.877 -10.809 1.00 0.00 N ATOM 0 H LYS A 508 -1.283 -19.083 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 508 -3.863 -17.888 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -3.355 -19.818 -9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -4.892 -19.120 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -2.854 -17.038 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -3.036 -18.031 -10.488 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -5.418 -17.575 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -5.430 -16.847 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -3.901 -15.028 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -3.975 -15.740 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -5.568 -13.952 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -6.378 -15.426 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -6.306 -14.736 -9.917 1.00 0.00 H new ATOM 1378 N ILE A 509 -4.718 -19.995 -5.808 1.00 0.00 N ATOM 1379 CA ILE A 509 -5.070 -21.080 -4.909 1.00 0.00 C ATOM 1380 C ILE A 509 -5.447 -22.314 -5.730 1.00 0.00 C ATOM 1381 O ILE A 509 -6.584 -22.779 -5.672 1.00 0.00 O ATOM 1382 CB ILE A 509 -6.158 -20.635 -3.932 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.289 -19.908 -4.665 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -5.569 -19.789 -2.802 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -8.620 -20.082 -3.929 1.00 0.00 C ATOM 0 H ILE A 509 -5.466 -19.323 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 509 -4.215 -21.356 -4.292 1.00 0.00 H new ATOM 0 HB ILE A 509 -6.591 -21.525 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.051 -18.848 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -7.377 -20.295 -5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.365 -19.486 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -4.829 -20.375 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.093 -18.903 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.407 -19.556 -4.470 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -8.867 -21.142 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -8.536 -19.672 -2.923 1.00 0.00 H new ATOM 1397 N ASN A 510 -4.470 -22.811 -6.475 1.00 0.00 N ATOM 1398 CA ASN A 510 -4.685 -23.983 -7.308 1.00 0.00 C ATOM 1399 C ASN A 510 -3.432 -24.247 -8.144 1.00 0.00 C ATOM 1400 O ASN A 510 -2.949 -25.377 -8.205 1.00 0.00 O ATOM 1401 CB ASN A 510 -5.858 -23.768 -8.267 1.00 0.00 C ATOM 1402 CG ASN A 510 -6.774 -24.993 -8.294 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -6.335 -26.131 -8.310 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -8.071 -24.697 -8.299 1.00 0.00 N ATOM 0 H ASN A 510 -3.527 -22.424 -6.519 1.00 0.00 H new ATOM 0 HA ASN A 510 -4.904 -24.827 -6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -6.427 -22.890 -7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -5.481 -23.569 -9.270 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -8.765 -25.445 -8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -8.372 -23.722 -8.285 1.00 0.00 H new ATOM 1411 N GLU A 511 -2.940 -23.187 -8.766 1.00 0.00 N ATOM 1412 CA GLU A 511 -1.751 -23.289 -9.595 1.00 0.00 C ATOM 1413 C GLU A 511 -1.092 -21.917 -9.751 1.00 0.00 C ATOM 1414 O GLU A 511 -1.407 -20.986 -9.011 1.00 0.00 O ATOM 1415 CB GLU A 511 -2.085 -23.896 -10.959 1.00 0.00 C ATOM 1416 CG GLU A 511 -1.409 -25.257 -11.135 1.00 0.00 C ATOM 1417 CD GLU A 511 -0.764 -25.376 -12.517 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -0.062 -24.452 -12.955 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -1.014 -26.475 -13.144 1.00 0.00 O ATOM 0 H GLU A 511 -3.343 -22.252 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 511 -1.043 -23.955 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -3.165 -24.007 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -1.761 -23.220 -11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -0.651 -25.393 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -2.144 -26.051 -11.003 1.00 0.00 H new ATOM 1427 N PHE A 512 -0.191 -21.836 -10.719 1.00 0.00 N ATOM 1428 CA PHE A 512 0.514 -20.593 -10.982 1.00 0.00 C ATOM 1429 C PHE A 512 0.184 -20.061 -12.379 1.00 0.00 C ATOM 1430 O PHE A 512 0.000 -20.836 -13.316 1.00 0.00 O ATOM 1431 CB PHE A 512 2.010 -20.905 -10.909 1.00 0.00 C ATOM 1432 CG PHE A 512 2.401 -22.239 -11.548 1.00 0.00 C ATOM 1433 CD1 PHE A 512 2.162 -23.404 -10.888 1.00 0.00 C ATOM 1434 CD2 PHE A 512 2.986 -22.260 -12.775 1.00 0.00 C ATOM 1435 CE1 PHE A 512 2.525 -24.643 -11.480 1.00 0.00 C ATOM 1436 CE2 PHE A 512 3.349 -23.498 -13.367 1.00 0.00 C ATOM 1437 CZ PHE A 512 3.111 -24.663 -12.707 1.00 0.00 C ATOM 0 H PHE A 512 0.067 -22.611 -11.330 1.00 0.00 H new ATOM 0 HA PHE A 512 0.219 -19.836 -10.255 1.00 0.00 H new ATOM 0 HB2 PHE A 512 2.562 -20.103 -11.400 1.00 0.00 H new ATOM 0 HB3 PHE A 512 2.319 -20.911 -9.864 1.00 0.00 H new ATOM 0 HD1 PHE A 512 1.696 -23.387 -9.914 1.00 0.00 H new ATOM 0 HD2 PHE A 512 3.175 -21.335 -13.299 1.00 0.00 H new ATOM 0 HE1 PHE A 512 2.336 -25.568 -10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 512 3.814 -23.515 -14.342 1.00 0.00 H new ATOM 0 HZ PHE A 512 3.388 -25.605 -13.158 1.00 0.00 H new ATOM 1447 N GLN A 513 0.120 -18.741 -12.474 1.00 0.00 N ATOM 1448 CA GLN A 513 -0.185 -18.095 -13.740 1.00 0.00 C ATOM 1449 C GLN A 513 1.010 -17.268 -14.214 1.00 0.00 C ATOM 1450 O GLN A 513 1.326 -16.233 -13.628 1.00 0.00 O ATOM 1451 CB GLN A 513 -1.442 -17.229 -13.625 1.00 0.00 C ATOM 1452 CG GLN A 513 -2.333 -17.391 -14.857 1.00 0.00 C ATOM 1453 CD GLN A 513 -2.094 -16.259 -15.859 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -1.001 -15.735 -15.995 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -3.174 -15.913 -16.553 1.00 0.00 N ATOM 0 H GLN A 513 0.274 -18.101 -11.695 1.00 0.00 H new ATOM 0 HA GLN A 513 -0.384 -18.868 -14.482 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -1.999 -17.507 -12.730 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -1.158 -16.183 -13.512 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -2.131 -18.351 -15.332 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -3.380 -17.399 -14.555 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -4.060 -16.392 -16.391 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -3.117 -15.168 -17.248 1.00 0.00 H new ATOM 1464 N CYS A 514 1.645 -17.754 -15.270 1.00 0.00 N ATOM 1465 CA CYS A 514 2.799 -17.072 -15.831 1.00 0.00 C ATOM 1466 C CYS A 514 2.299 -15.952 -16.746 1.00 0.00 C ATOM 1467 O CYS A 514 1.959 -16.196 -17.903 1.00 0.00 O ATOM 1468 CB CYS A 514 3.726 -18.041 -16.569 1.00 0.00 C ATOM 1469 SG CYS A 514 5.175 -17.259 -17.368 1.00 0.00 S ATOM 0 H CYS A 514 1.382 -18.613 -15.753 1.00 0.00 H new ATOM 0 HA CYS A 514 3.396 -16.643 -15.027 1.00 0.00 H new ATOM 0 HB2 CYS A 514 4.080 -18.792 -15.863 1.00 0.00 H new ATOM 0 HB3 CYS A 514 3.148 -18.566 -17.330 1.00 0.00 H new ATOM 1474 N GLU A 515 2.268 -14.750 -16.192 1.00 0.00 N ATOM 1475 CA GLU A 515 1.814 -13.591 -16.943 1.00 0.00 C ATOM 1476 C GLU A 515 3.001 -12.692 -17.300 1.00 0.00 C ATOM 1477 O GLU A 515 4.114 -12.912 -16.827 1.00 0.00 O ATOM 1478 CB GLU A 515 0.751 -12.814 -16.165 1.00 0.00 C ATOM 1479 CG GLU A 515 1.384 -12.012 -15.025 1.00 0.00 C ATOM 1480 CD GLU A 515 1.120 -10.514 -15.197 1.00 0.00 C ATOM 1481 OE1 GLU A 515 0.887 -10.052 -16.324 1.00 0.00 O ATOM 1482 OE2 GLU A 515 1.163 -9.824 -14.108 1.00 0.00 O ATOM 0 H GLU A 515 2.550 -14.552 -15.232 1.00 0.00 H new ATOM 0 HA GLU A 515 1.355 -13.939 -17.869 1.00 0.00 H new ATOM 0 HB2 GLU A 515 0.222 -12.140 -16.839 1.00 0.00 H new ATOM 0 HB3 GLU A 515 0.012 -13.506 -15.761 1.00 0.00 H new ATOM 0 HG2 GLU A 515 0.980 -12.349 -14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 515 2.458 -12.195 -14.999 1.00 0.00 H new ATOM 1490 N CYS A 516 2.719 -11.699 -18.130 1.00 0.00 N ATOM 1491 CA CYS A 516 3.750 -10.765 -18.555 1.00 0.00 C ATOM 1492 C CYS A 516 3.448 -9.401 -17.930 1.00 0.00 C ATOM 1493 O CYS A 516 2.423 -8.790 -18.230 1.00 0.00 O ATOM 1494 CB CYS A 516 3.846 -10.686 -20.080 1.00 0.00 C ATOM 1495 SG CYS A 516 5.290 -9.754 -20.709 1.00 0.00 S ATOM 0 H CYS A 516 1.793 -11.520 -18.520 1.00 0.00 H new ATOM 0 HA CYS A 516 4.725 -11.113 -18.213 1.00 0.00 H new ATOM 0 HB2 CYS A 516 3.882 -11.699 -20.481 1.00 0.00 H new ATOM 0 HB3 CYS A 516 2.937 -10.223 -20.464 1.00 0.00 H new ATOM 0 HG CYS A 516 5.273 -9.753 -22.009 1.00 0.00 H new ATOM 1500 N PRO A 517 4.384 -8.952 -17.052 1.00 0.00 N ATOM 1501 CA PRO A 517 4.228 -7.671 -16.383 1.00 0.00 C ATOM 1502 C PRO A 517 4.521 -6.514 -17.340 1.00 0.00 C ATOM 1503 O PRO A 517 4.534 -6.697 -18.555 1.00 0.00 O ATOM 1504 CB PRO A 517 5.187 -7.725 -15.205 1.00 0.00 C ATOM 1505 CG PRO A 517 6.175 -8.835 -15.521 1.00 0.00 C ATOM 1506 CD PRO A 517 5.609 -9.649 -16.673 1.00 0.00 C ATOM 0 HA PRO A 517 3.208 -7.495 -16.042 1.00 0.00 H new ATOM 0 HB2 PRO A 517 5.699 -6.772 -15.075 1.00 0.00 H new ATOM 0 HB3 PRO A 517 4.654 -7.930 -14.277 1.00 0.00 H new ATOM 0 HG2 PRO A 517 7.145 -8.417 -15.789 1.00 0.00 H new ATOM 0 HG3 PRO A 517 6.331 -9.467 -14.647 1.00 0.00 H new ATOM 0 HD2 PRO A 517 6.311 -9.698 -17.506 1.00 0.00 H new ATOM 0 HD3 PRO A 517 5.403 -10.675 -16.369 1.00 0.00 H new