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 Set 1.1: A 508 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0123) USER MOD Set 1.2: A 513 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Set 2.1: A 470 GLN :FLIP amide:sc= 0.657 F(o=-4.5,f=0.32) USER MOD Set 2.2: A 475 GLN : amide:sc= -0.336 K(o=0.32,f=-8.5!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN :FLIP amide:sc= -4.81! C(o=-5.5!,f=-4.8!) USER MOD Single : A 425 HIS : no HD1:sc= -2.54! X(o=-2.5!,f=-2.5) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.95! C(o=-3!,f=-9.4!) USER MOD Single : A 432 THR OG1 : rot 180:sc= -7.4! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc=-0.00745 K(o=-0.0074,f=-1.3!) USER MOD Single : A 442 GLN :FLIP amide:sc= -1.28! C(o=-4.8!,f=-1.3!) USER MOD Single : A 444 TYR OH : rot 180:sc= -5.78! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.472! USER MOD Single : A 454 ASN : amide:sc= -4.32! C(o=-4.3!,f=-20!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN : amide:sc= -2.48! X(o=-2.5!,f=-2.2) USER MOD Single : A 462 GLN :FLIP amide:sc= -1.79 F(o=-3!,f=-1.8) USER MOD Single : A 463 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.013) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 MET CE :methyl -146:sc= -0.0212 (180deg=-0.174) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS : no HD1:sc= -2.12! X(o=-2.1!,f=-1.6) USER MOD Single : A 490 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.5!) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.0226 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 :FLIP no HD1:sc= -1.5 F(o=-2.6!,f=-1.5) USER MOD Single : A 502 ASN : amide:sc= -0.383 K(o=-0.38,f=-1.8) USER MOD Single : A 510 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.1!) USER MOD Single : A 516 CYS SG : rot 180:sc= -0.908 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 0.826 34.743 7.892 1.00 0.00 N ATOM 19 CA ASP A 412 -0.355 34.186 8.528 1.00 0.00 C ATOM 20 C ASP A 412 0.070 33.306 9.704 1.00 0.00 C ATOM 21 O ASP A 412 1.261 33.163 9.976 1.00 0.00 O ATOM 22 CB ASP A 412 -1.148 33.316 7.549 1.00 0.00 C ATOM 23 CG ASP A 412 -2.616 33.098 7.922 1.00 0.00 C ATOM 24 OD1 ASP A 412 -3.369 34.059 8.143 1.00 0.00 O ATOM 25 OD2 ASP A 412 -2.986 31.864 7.982 1.00 0.00 O ATOM 0 HA ASP A 412 -0.979 35.014 8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -1.104 33.774 6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.660 32.344 7.472 1.00 0.00 H new ATOM 31 N VAL A 413 -0.926 32.738 10.367 1.00 0.00 N ATOM 32 CA VAL A 413 -0.669 31.875 11.509 1.00 0.00 C ATOM 33 C VAL A 413 -0.460 30.441 11.021 1.00 0.00 C ATOM 34 O VAL A 413 -1.022 30.039 10.003 1.00 0.00 O ATOM 35 CB VAL A 413 -1.805 32.002 12.526 1.00 0.00 C ATOM 36 CG1 VAL A 413 -3.019 31.179 12.098 1.00 0.00 C ATOM 37 CG2 VAL A 413 -1.333 31.601 13.925 1.00 0.00 C ATOM 0 H VAL A 413 -1.912 32.858 10.136 1.00 0.00 H new ATOM 0 HA VAL A 413 0.243 32.180 12.022 1.00 0.00 H new ATOM 0 HB VAL A 413 -2.109 33.048 12.562 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.811 31.287 12.839 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.376 31.533 11.131 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.737 30.129 12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -2.159 31.700 14.630 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.990 30.566 13.911 1.00 0.00 H new ATOM 0 HG23 VAL A 413 -0.514 32.251 14.233 1.00 0.00 H new ATOM 47 N ASP A 414 0.348 29.707 11.772 1.00 0.00 N ATOM 48 CA ASP A 414 0.636 28.324 11.428 1.00 0.00 C ATOM 49 C ASP A 414 -0.452 27.420 12.012 1.00 0.00 C ATOM 50 O ASP A 414 -0.234 26.752 13.022 1.00 0.00 O ATOM 51 CB ASP A 414 1.980 27.882 12.010 1.00 0.00 C ATOM 52 CG ASP A 414 2.558 26.602 11.403 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.781 26.390 11.403 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.687 25.793 10.904 1.00 0.00 O ATOM 0 H ASP A 414 0.812 30.043 12.616 1.00 0.00 H new ATOM 0 HA ASP A 414 0.669 28.246 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.701 28.688 11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 414 1.864 27.737 13.084 1.00 0.00 H new ATOM 60 N GLU A 415 -1.599 27.428 11.349 1.00 0.00 N ATOM 61 CA GLU A 415 -2.721 26.617 11.789 1.00 0.00 C ATOM 62 C GLU A 415 -2.333 25.137 11.809 1.00 0.00 C ATOM 63 O GLU A 415 -3.045 24.312 12.379 1.00 0.00 O ATOM 64 CB GLU A 415 -3.947 26.849 10.903 1.00 0.00 C ATOM 65 CG GLU A 415 -4.501 28.262 11.092 1.00 0.00 C ATOM 66 CD GLU A 415 -4.359 29.084 9.809 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.979 30.263 9.868 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.655 28.455 8.723 1.00 0.00 O ATOM 0 H GLU A 415 -1.775 27.983 10.511 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.983 26.917 12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.679 26.697 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.718 26.117 11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.551 28.209 11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.972 28.758 11.906 1.00 0.00 H new ATOM 76 N CYS A 416 -1.203 24.847 11.182 1.00 0.00 N ATOM 77 CA CYS A 416 -0.709 23.482 11.122 1.00 0.00 C ATOM 78 C CYS A 416 0.074 23.196 12.405 1.00 0.00 C ATOM 79 O CYS A 416 0.363 22.041 12.716 1.00 0.00 O ATOM 80 CB CYS A 416 0.139 23.241 9.871 1.00 0.00 C ATOM 81 SG CYS A 416 -0.340 21.773 8.889 1.00 0.00 S ATOM 0 H CYS A 416 -0.615 25.534 10.711 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.550 22.792 11.050 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.079 24.123 9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.182 23.135 10.171 1.00 0.00 H new ATOM 86 N SER A 417 0.395 24.268 13.116 1.00 0.00 N ATOM 87 CA SER A 417 1.138 24.146 14.358 1.00 0.00 C ATOM 88 C SER A 417 0.259 24.570 15.537 1.00 0.00 C ATOM 89 O SER A 417 0.602 24.320 16.692 1.00 0.00 O ATOM 90 CB SER A 417 2.416 24.987 14.319 1.00 0.00 C ATOM 91 OG SER A 417 3.490 24.359 15.015 1.00 0.00 O ATOM 0 H SER A 417 0.154 25.224 12.855 1.00 0.00 H new ATOM 0 HA SER A 417 1.425 23.102 14.484 1.00 0.00 H new ATOM 0 HB2 SER A 417 2.706 25.157 13.282 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.220 25.964 14.760 1.00 0.00 H new ATOM 0 HG SER A 417 4.288 24.926 14.966 1.00 0.00 H new ATOM 97 N LEU A 418 -0.856 25.202 15.205 1.00 0.00 N ATOM 98 CA LEU A 418 -1.787 25.663 16.223 1.00 0.00 C ATOM 99 C LEU A 418 -2.529 24.461 16.809 1.00 0.00 C ATOM 100 O LEU A 418 -2.084 23.870 17.792 1.00 0.00 O ATOM 101 CB LEU A 418 -2.713 26.740 15.654 1.00 0.00 C ATOM 102 CG LEU A 418 -2.082 28.116 15.431 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.728 28.830 14.242 1.00 0.00 C ATOM 104 CD2 LEU A 418 -2.143 28.960 16.706 1.00 0.00 C ATOM 0 H LEU A 418 -1.137 25.406 14.246 1.00 0.00 H new ATOM 0 HA LEU A 418 -1.250 26.139 17.044 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -3.109 26.385 14.703 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.561 26.856 16.329 1.00 0.00 H new ATOM 0 HG LEU A 418 -1.029 27.973 15.188 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -2.261 29.805 14.106 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -2.591 28.233 13.341 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.793 28.961 14.431 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.688 29.933 16.520 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.183 29.096 17.003 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.602 28.453 17.504 1.00 0.00 H new ATOM 116 N GLY A 419 -3.649 24.134 16.181 1.00 0.00 N ATOM 117 CA GLY A 419 -4.459 23.012 16.629 1.00 0.00 C ATOM 118 C GLY A 419 -5.159 22.336 15.448 1.00 0.00 C ATOM 119 O GLY A 419 -6.115 21.586 15.636 1.00 0.00 O ATOM 0 H GLY A 419 -4.015 24.626 15.366 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -3.830 22.288 17.146 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -5.202 23.359 17.347 1.00 0.00 H new ATOM 123 N ALA A 420 -4.654 22.626 14.258 1.00 0.00 N ATOM 124 CA ALA A 420 -5.220 22.054 13.047 1.00 0.00 C ATOM 125 C ALA A 420 -4.118 21.339 12.263 1.00 0.00 C ATOM 126 O ALA A 420 -3.538 21.910 11.341 1.00 0.00 O ATOM 127 CB ALA A 420 -5.896 23.157 12.230 1.00 0.00 C ATOM 0 H ALA A 420 -3.860 23.248 14.106 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.983 21.315 13.291 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.321 22.729 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.690 23.613 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -5.160 23.916 11.964 1.00 0.00 H new ATOM 133 N ASN A 421 -3.862 20.101 12.658 1.00 0.00 N ATOM 134 CA ASN A 421 -2.840 19.302 12.004 1.00 0.00 C ATOM 135 C ASN A 421 -3.493 18.083 11.350 1.00 0.00 C ATOM 136 O ASN A 421 -3.925 17.161 12.039 1.00 0.00 O ATOM 137 CB ASN A 421 -1.804 18.800 13.013 1.00 0.00 C ATOM 138 CG ASN A 421 -0.426 18.667 12.362 1.00 0.00 C ATOM 139 OD1 ASN A 421 -0.377 17.776 11.376 1.00 0.00 O flip ATOM 140 ND2 ASN A 421 0.530 19.328 12.731 1.00 0.00 N flip ATOM 0 H ASN A 421 -4.345 19.631 13.424 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.346 19.928 11.261 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.747 19.489 13.855 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -2.117 17.835 13.411 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.424 19.996 13.495 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.436 19.213 12.276 1.00 0.00 H new ATOM 147 N PRO A 422 -3.545 18.119 9.991 1.00 0.00 N ATOM 148 CA PRO A 422 -4.138 17.028 9.236 1.00 0.00 C ATOM 149 C PRO A 422 -3.206 15.815 9.202 1.00 0.00 C ATOM 150 O PRO A 422 -3.660 14.677 9.308 1.00 0.00 O ATOM 151 CB PRO A 422 -4.409 17.607 7.857 1.00 0.00 C ATOM 152 CG PRO A 422 -3.540 18.849 7.747 1.00 0.00 C ATOM 153 CD PRO A 422 -3.043 19.196 9.141 1.00 0.00 C ATOM 0 HA PRO A 422 -5.059 16.656 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.162 16.888 7.076 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.463 17.857 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -2.700 18.669 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.110 19.678 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.955 19.250 9.172 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.420 20.166 9.466 1.00 0.00 H new ATOM 161 N CYS A 423 -1.921 16.099 9.056 1.00 0.00 N ATOM 162 CA CYS A 423 -0.922 15.045 9.006 1.00 0.00 C ATOM 163 C CYS A 423 -1.230 14.040 10.117 1.00 0.00 C ATOM 164 O CYS A 423 -0.853 12.873 10.024 1.00 0.00 O ATOM 165 CB CYS A 423 0.498 15.606 9.121 1.00 0.00 C ATOM 166 SG CYS A 423 0.807 17.119 8.139 1.00 0.00 S ATOM 0 H CYS A 423 -1.548 17.044 8.971 1.00 0.00 H new ATOM 0 HA CYS A 423 -0.967 14.543 8.040 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.705 15.822 10.169 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.204 14.837 8.809 1.00 0.00 H new ATOM 171 N GLU A 424 -1.913 14.529 11.142 1.00 0.00 N ATOM 172 CA GLU A 424 -2.275 13.687 12.269 1.00 0.00 C ATOM 173 C GLU A 424 -1.040 13.371 13.115 1.00 0.00 C ATOM 174 O GLU A 424 -0.731 14.092 14.062 1.00 0.00 O ATOM 175 CB GLU A 424 -2.961 12.404 11.797 1.00 0.00 C ATOM 176 CG GLU A 424 -4.456 12.430 12.119 1.00 0.00 C ATOM 177 CD GLU A 424 -4.808 11.380 13.174 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.755 10.174 12.890 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.148 11.855 14.324 1.00 0.00 O ATOM 0 H GLU A 424 -2.225 15.497 11.215 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.986 14.232 12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -2.819 12.286 10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.497 11.542 12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.737 13.420 12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -5.030 12.245 11.211 1.00 0.00 H new ATOM 187 N HIS A 425 -0.369 12.292 12.742 1.00 0.00 N ATOM 188 CA HIS A 425 0.826 11.869 13.454 1.00 0.00 C ATOM 189 C HIS A 425 1.828 11.270 12.465 1.00 0.00 C ATOM 190 O HIS A 425 2.548 10.330 12.799 1.00 0.00 O ATOM 191 CB HIS A 425 0.470 10.911 14.592 1.00 0.00 C ATOM 192 CG HIS A 425 -0.595 9.903 14.236 1.00 0.00 C ATOM 193 ND1 HIS A 425 -0.315 8.566 14.010 1.00 0.00 N ATOM 194 CD2 HIS A 425 -1.940 10.047 14.070 1.00 0.00 C ATOM 195 CE1 HIS A 425 -1.449 7.945 13.720 1.00 0.00 C ATOM 196 NE2 HIS A 425 -2.456 8.864 13.757 1.00 0.00 N ATOM 0 H HIS A 425 -0.630 11.697 11.956 1.00 0.00 H new ATOM 0 HA HIS A 425 1.301 12.732 13.920 1.00 0.00 H new ATOM 0 HB2 HIS A 425 1.370 10.379 14.900 1.00 0.00 H new ATOM 0 HB3 HIS A 425 0.133 11.492 15.450 1.00 0.00 H new ATOM 0 HD2 HIS A 425 -2.493 10.968 14.175 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -1.557 6.894 13.494 1.00 0.00 H new ATOM 0 HE2 HIS A 425 -3.441 8.674 13.575 1.00 0.00 H new ATOM 204 N ALA A 426 1.843 11.838 11.269 1.00 0.00 N ATOM 205 CA ALA A 426 2.744 11.371 10.230 1.00 0.00 C ATOM 206 C ALA A 426 2.528 12.201 8.962 1.00 0.00 C ATOM 207 O ALA A 426 1.575 11.968 8.219 1.00 0.00 O ATOM 208 CB ALA A 426 2.521 9.876 9.993 1.00 0.00 C ATOM 0 H ALA A 426 1.245 12.618 10.996 1.00 0.00 H new ATOM 0 HA ALA A 426 3.782 11.501 10.536 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.198 9.526 9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 426 2.716 9.328 10.915 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.490 9.707 9.682 1.00 0.00 H new ATOM 214 N GLY A 427 3.428 13.151 8.754 1.00 0.00 N ATOM 215 CA GLY A 427 3.347 14.015 7.588 1.00 0.00 C ATOM 216 C GLY A 427 4.005 15.368 7.864 1.00 0.00 C ATOM 217 O GLY A 427 4.417 15.645 8.990 1.00 0.00 O ATOM 0 H GLY A 427 4.216 13.341 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.835 13.535 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.303 14.163 7.312 1.00 0.00 H new ATOM 221 N LYS A 428 4.083 16.177 6.817 1.00 0.00 N ATOM 222 CA LYS A 428 4.683 17.494 6.932 1.00 0.00 C ATOM 223 C LYS A 428 3.581 18.538 7.121 1.00 0.00 C ATOM 224 O LYS A 428 2.644 18.605 6.328 1.00 0.00 O ATOM 225 CB LYS A 428 5.596 17.774 5.737 1.00 0.00 C ATOM 226 CG LYS A 428 6.695 18.773 6.107 1.00 0.00 C ATOM 227 CD LYS A 428 8.030 18.060 6.330 1.00 0.00 C ATOM 228 CE LYS A 428 9.049 18.456 5.261 1.00 0.00 C ATOM 229 NZ LYS A 428 9.895 19.573 5.738 1.00 0.00 N ATOM 0 H LYS A 428 3.740 15.945 5.885 1.00 0.00 H new ATOM 0 HA LYS A 428 5.324 17.544 7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 428 6.047 16.843 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.006 18.167 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.802 19.513 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.412 19.313 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.419 18.309 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.878 16.981 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 428 9.675 17.599 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 428 8.531 18.749 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.581 19.829 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.296 20.395 5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 10.404 19.281 6.597 1.00 0.00 H new ATOM 242 N CYS A 429 3.730 19.327 8.175 1.00 0.00 N ATOM 243 CA CYS A 429 2.758 20.363 8.478 1.00 0.00 C ATOM 244 C CYS A 429 3.432 21.724 8.287 1.00 0.00 C ATOM 245 O CYS A 429 4.312 22.098 9.059 1.00 0.00 O ATOM 246 CB CYS A 429 2.182 20.205 9.887 1.00 0.00 C ATOM 247 SG CYS A 429 0.356 20.308 9.985 1.00 0.00 S ATOM 0 H CYS A 429 4.510 19.269 8.830 1.00 0.00 H new ATOM 0 HA CYS A 429 1.910 20.279 7.799 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.500 19.243 10.289 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.610 20.975 10.528 1.00 0.00 H new ATOM 252 N ILE A 430 2.992 22.426 7.252 1.00 0.00 N ATOM 253 CA ILE A 430 3.542 23.736 6.950 1.00 0.00 C ATOM 254 C ILE A 430 2.457 24.797 7.144 1.00 0.00 C ATOM 255 O ILE A 430 1.283 24.466 7.302 1.00 0.00 O ATOM 256 CB ILE A 430 4.169 23.745 5.554 1.00 0.00 C ATOM 257 CG1 ILE A 430 3.918 22.419 4.831 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.657 24.088 5.623 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.639 21.267 5.537 1.00 0.00 C ATOM 0 H ILE A 430 2.262 22.112 6.613 1.00 0.00 H new ATOM 0 HA ILE A 430 4.351 23.978 7.639 1.00 0.00 H new ATOM 0 HB ILE A 430 3.686 24.527 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.848 22.216 4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.263 22.492 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.078 24.087 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.783 25.075 6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.173 23.347 6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.445 20.336 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.711 21.462 5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.274 21.182 6.561 1.00 0.00 H new ATOM 271 N ASN A 431 2.888 26.049 7.125 1.00 0.00 N ATOM 272 CA ASN A 431 1.968 27.161 7.298 1.00 0.00 C ATOM 273 C ASN A 431 1.802 27.891 5.963 1.00 0.00 C ATOM 274 O ASN A 431 2.784 28.153 5.269 1.00 0.00 O ATOM 275 CB ASN A 431 2.500 28.163 8.323 1.00 0.00 C ATOM 276 CG ASN A 431 1.699 29.466 8.283 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.619 29.544 7.721 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.289 30.483 8.907 1.00 0.00 N ATOM 0 H ASN A 431 3.863 26.319 6.992 1.00 0.00 H new ATOM 0 HA ASN A 431 1.017 26.760 7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.447 27.730 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.551 28.372 8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.836 31.396 8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.194 30.349 9.358 1.00 0.00 H new ATOM 285 N THR A 432 0.554 28.201 5.644 1.00 0.00 N ATOM 286 CA THR A 432 0.249 28.896 4.407 1.00 0.00 C ATOM 287 C THR A 432 -0.556 30.167 4.692 1.00 0.00 C ATOM 288 O THR A 432 -1.113 30.321 5.777 1.00 0.00 O ATOM 289 CB THR A 432 -0.473 27.916 3.479 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.804 26.817 4.324 1.00 0.00 O ATOM 291 CG2 THR A 432 0.460 27.310 2.428 1.00 0.00 C ATOM 0 H THR A 432 -0.258 27.983 6.222 1.00 0.00 H new ATOM 0 HA THR A 432 1.159 29.230 3.908 1.00 0.00 H new ATOM 0 HB THR A 432 -1.297 28.427 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 432 -1.277 26.135 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 432 -0.102 26.622 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.881 28.106 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.266 26.770 2.925 1.00 0.00 H new ATOM 299 N LEU A 433 -0.590 31.043 3.699 1.00 0.00 N ATOM 300 CA LEU A 433 -1.317 32.295 3.831 1.00 0.00 C ATOM 301 C LEU A 433 -2.820 32.011 3.799 1.00 0.00 C ATOM 302 O LEU A 433 -3.327 31.433 2.839 1.00 0.00 O ATOM 303 CB LEU A 433 -0.858 33.295 2.769 1.00 0.00 C ATOM 304 CG LEU A 433 0.161 34.340 3.229 1.00 0.00 C ATOM 305 CD1 LEU A 433 0.866 34.983 2.033 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.495 35.383 4.136 1.00 0.00 C ATOM 0 H LEU A 433 -0.126 30.911 2.800 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.100 32.763 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.428 32.739 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -1.735 33.816 2.385 1.00 0.00 H new ATOM 0 HG LEU A 433 0.925 33.835 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.585 35.722 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 433 1.387 34.215 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 433 0.129 35.471 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.251 36.114 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.292 35.889 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -0.911 34.891 5.015 1.00 0.00 H new ATOM 318 N GLY A 434 -3.491 32.432 4.862 1.00 0.00 N ATOM 319 CA GLY A 434 -4.926 32.232 4.967 1.00 0.00 C ATOM 320 C GLY A 434 -5.247 30.831 5.494 1.00 0.00 C ATOM 321 O GLY A 434 -6.098 30.673 6.369 1.00 0.00 O ATOM 0 H GLY A 434 -3.067 32.910 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.354 32.982 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.389 32.372 3.990 1.00 0.00 H new ATOM 325 N SER A 435 -4.549 29.851 4.941 1.00 0.00 N ATOM 326 CA SER A 435 -4.748 28.469 5.344 1.00 0.00 C ATOM 327 C SER A 435 -3.396 27.793 5.579 1.00 0.00 C ATOM 328 O SER A 435 -2.353 28.343 5.229 1.00 0.00 O ATOM 329 CB SER A 435 -5.550 27.700 4.292 1.00 0.00 C ATOM 330 OG SER A 435 -6.689 28.432 3.848 1.00 0.00 O ATOM 0 H SER A 435 -3.844 29.986 4.216 1.00 0.00 H new ATOM 0 HA SER A 435 -5.317 28.462 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 435 -4.909 27.476 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 435 -5.872 26.746 4.708 1.00 0.00 H new ATOM 0 HG SER A 435 -7.173 27.908 3.176 1.00 0.00 H new ATOM 336 N PHE A 436 -3.458 26.610 6.171 1.00 0.00 N ATOM 337 CA PHE A 436 -2.252 25.852 6.458 1.00 0.00 C ATOM 338 C PHE A 436 -2.045 24.740 5.428 1.00 0.00 C ATOM 339 O PHE A 436 -3.011 24.184 4.907 1.00 0.00 O ATOM 340 CB PHE A 436 -2.437 25.222 7.841 1.00 0.00 C ATOM 341 CG PHE A 436 -3.757 24.465 8.007 1.00 0.00 C ATOM 342 CD1 PHE A 436 -4.900 25.145 8.292 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.787 23.113 7.870 1.00 0.00 C ATOM 344 CE1 PHE A 436 -6.125 24.443 8.447 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.011 22.410 8.025 1.00 0.00 C ATOM 346 CZ PHE A 436 -6.154 23.090 8.310 1.00 0.00 C ATOM 0 H PHE A 436 -4.325 26.157 6.460 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.383 26.509 6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.611 24.537 8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.382 26.006 8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -4.876 26.219 8.400 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -2.880 22.573 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -7.033 24.983 8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -5.034 21.336 7.917 1.00 0.00 H new ATOM 0 HZ PHE A 436 -7.085 22.555 8.428 1.00 0.00 H new ATOM 356 N GLU A 437 -0.779 24.450 5.165 1.00 0.00 N ATOM 357 CA GLU A 437 -0.433 23.415 4.206 1.00 0.00 C ATOM 358 C GLU A 437 0.240 22.238 4.916 1.00 0.00 C ATOM 359 O GLU A 437 0.973 22.429 5.884 1.00 0.00 O ATOM 360 CB GLU A 437 0.464 23.972 3.097 1.00 0.00 C ATOM 361 CG GLU A 437 1.266 22.854 2.428 1.00 0.00 C ATOM 362 CD GLU A 437 1.585 23.204 0.972 1.00 0.00 C ATOM 363 OE1 GLU A 437 0.698 23.666 0.238 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.803 22.984 0.613 1.00 0.00 O ATOM 0 H GLU A 437 0.019 24.914 5.599 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.351 23.057 3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.147 24.482 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.145 24.714 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.193 22.687 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.701 21.923 2.467 1.00 0.00 H new ATOM 372 N CYS A 438 -0.034 21.046 4.405 1.00 0.00 N ATOM 373 CA CYS A 438 0.535 19.838 4.977 1.00 0.00 C ATOM 374 C CYS A 438 0.866 18.875 3.837 1.00 0.00 C ATOM 375 O CYS A 438 0.002 18.556 3.019 1.00 0.00 O ATOM 376 CB CYS A 438 -0.402 19.204 6.007 1.00 0.00 C ATOM 377 SG CYS A 438 0.039 17.498 6.498 1.00 0.00 S ATOM 0 H CYS A 438 -0.643 20.892 3.601 1.00 0.00 H new ATOM 0 HA CYS A 438 1.449 20.085 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.417 19.831 6.898 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.414 19.201 5.603 1.00 0.00 H new ATOM 382 N GLN A 439 2.116 18.437 3.817 1.00 0.00 N ATOM 383 CA GLN A 439 2.570 17.516 2.789 1.00 0.00 C ATOM 384 C GLN A 439 2.200 16.080 3.162 1.00 0.00 C ATOM 385 O GLN A 439 2.040 15.762 4.338 1.00 0.00 O ATOM 386 CB GLN A 439 4.076 17.652 2.556 1.00 0.00 C ATOM 387 CG GLN A 439 4.505 19.121 2.583 1.00 0.00 C ATOM 388 CD GLN A 439 5.955 19.277 2.121 1.00 0.00 C ATOM 389 OE1 GLN A 439 6.513 18.429 1.445 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.532 20.406 2.522 1.00 0.00 N ATOM 0 H GLN A 439 2.829 18.703 4.496 1.00 0.00 H new ATOM 0 HA GLN A 439 2.068 17.769 1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.618 17.097 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 439 4.340 17.210 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.849 19.707 1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.397 19.517 3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.008 21.074 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.499 20.604 2.265 1.00 0.00 H new ATOM 399 N CYS A 440 2.075 15.249 2.138 1.00 0.00 N ATOM 400 CA CYS A 440 1.727 13.853 2.343 1.00 0.00 C ATOM 401 C CYS A 440 3.013 13.074 2.622 1.00 0.00 C ATOM 402 O CYS A 440 4.110 13.577 2.390 1.00 0.00 O ATOM 403 CB CYS A 440 0.959 13.280 1.150 1.00 0.00 C ATOM 404 SG CYS A 440 -0.863 13.409 1.276 1.00 0.00 S ATOM 0 H CYS A 440 2.209 15.516 1.163 1.00 0.00 H new ATOM 0 HA CYS A 440 1.057 13.764 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 440 1.284 13.795 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 440 1.228 12.230 1.033 1.00 0.00 H new ATOM 409 N LEU A 441 2.834 11.856 3.115 1.00 0.00 N ATOM 410 CA LEU A 441 3.967 11.003 3.428 1.00 0.00 C ATOM 411 C LEU A 441 3.567 9.539 3.231 1.00 0.00 C ATOM 412 O LEU A 441 2.432 9.159 3.517 1.00 0.00 O ATOM 413 CB LEU A 441 4.501 11.311 4.828 1.00 0.00 C ATOM 414 CG LEU A 441 4.003 10.398 5.951 1.00 0.00 C ATOM 415 CD1 LEU A 441 2.499 10.147 5.828 1.00 0.00 C ATOM 416 CD2 LEU A 441 4.801 9.093 5.991 1.00 0.00 C ATOM 0 H LEU A 441 1.922 11.441 3.305 1.00 0.00 H new ATOM 0 HA LEU A 441 4.794 11.203 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 441 5.589 11.259 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 441 4.237 12.339 5.078 1.00 0.00 H new ATOM 0 HG LEU A 441 4.167 10.905 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 441 2.171 9.495 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 441 1.966 11.096 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 441 2.287 9.671 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.427 8.462 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 441 4.691 8.570 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.854 9.316 6.163 1.00 0.00 H new ATOM 428 N GLN A 442 4.519 8.758 2.744 1.00 0.00 N ATOM 429 CA GLN A 442 4.279 7.344 2.505 1.00 0.00 C ATOM 430 C GLN A 442 3.054 7.158 1.607 1.00 0.00 C ATOM 431 O GLN A 442 3.154 7.268 0.386 1.00 0.00 O ATOM 432 CB GLN A 442 4.113 6.587 3.824 1.00 0.00 C ATOM 433 CG GLN A 442 5.473 6.294 4.462 1.00 0.00 C ATOM 434 CD GLN A 442 6.616 6.675 3.519 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.905 7.973 3.516 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 7.197 5.844 2.840 1.00 0.00 N flip ATOM 0 H GLN A 442 5.459 9.077 2.508 1.00 0.00 H new ATOM 0 HA GLN A 442 5.147 6.929 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.504 7.175 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.581 5.652 3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.567 6.848 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.541 5.235 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 442 6.924 4.863 2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 442 7.956 6.131 2.222 1.00 0.00 H new ATOM 445 N GLY A 443 1.929 6.878 2.247 1.00 0.00 N ATOM 446 CA GLY A 443 0.687 6.676 1.522 1.00 0.00 C ATOM 447 C GLY A 443 -0.503 7.241 2.301 1.00 0.00 C ATOM 448 O GLY A 443 -1.311 6.487 2.841 1.00 0.00 O ATOM 0 H GLY A 443 1.852 6.786 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.749 7.158 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.536 5.612 1.342 1.00 0.00 H new ATOM 452 N TYR A 444 -0.571 8.563 2.335 1.00 0.00 N ATOM 453 CA TYR A 444 -1.648 9.240 3.040 1.00 0.00 C ATOM 454 C TYR A 444 -2.706 9.754 2.061 1.00 0.00 C ATOM 455 O TYR A 444 -2.430 9.916 0.873 1.00 0.00 O ATOM 456 CB TYR A 444 -1.004 10.432 3.749 1.00 0.00 C ATOM 457 CG TYR A 444 -0.763 10.211 5.244 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.022 9.128 5.671 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.289 11.094 6.166 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.204 8.920 7.078 1.00 0.00 C ATOM 461 CE2 TYR A 444 -1.063 10.886 7.573 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.328 9.809 7.960 1.00 0.00 C ATOM 463 OH TYR A 444 -0.115 9.612 9.287 1.00 0.00 O ATOM 0 H TYR A 444 0.102 9.185 1.886 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.141 8.558 3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.052 10.657 3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.642 11.306 3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.388 8.436 4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.870 11.941 5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.783 8.077 7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.468 11.570 8.304 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.552 10.325 9.798 1.00 0.00 H new ATOM 473 N THR A 445 -3.892 9.998 2.596 1.00 0.00 N ATOM 474 CA THR A 445 -4.993 10.490 1.784 1.00 0.00 C ATOM 475 C THR A 445 -5.212 11.983 2.034 1.00 0.00 C ATOM 476 O THR A 445 -4.328 12.797 1.771 1.00 0.00 O ATOM 477 CB THR A 445 -6.225 9.636 2.090 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.303 10.362 1.505 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.561 9.605 3.582 1.00 0.00 C ATOM 0 H THR A 445 -4.116 9.864 3.582 1.00 0.00 H new ATOM 0 HA THR A 445 -4.773 10.398 0.720 1.00 0.00 H new ATOM 0 HB THR A 445 -6.059 8.619 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.142 9.879 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.443 8.985 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.719 9.189 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.760 10.618 3.931 1.00 0.00 H new ATOM 487 N GLY A 446 -6.395 12.299 2.540 1.00 0.00 N ATOM 488 CA GLY A 446 -6.742 13.680 2.829 1.00 0.00 C ATOM 489 C GLY A 446 -7.301 14.376 1.585 1.00 0.00 C ATOM 490 O GLY A 446 -7.095 13.913 0.466 1.00 0.00 O ATOM 0 H GLY A 446 -7.126 11.622 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.479 13.713 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.860 14.214 3.184 1.00 0.00 H new ATOM 494 N PRO A 447 -8.014 15.508 1.832 1.00 0.00 N ATOM 495 CA PRO A 447 -8.604 16.272 0.746 1.00 0.00 C ATOM 496 C PRO A 447 -7.535 17.069 -0.007 1.00 0.00 C ATOM 497 O PRO A 447 -7.620 17.231 -1.222 1.00 0.00 O ATOM 498 CB PRO A 447 -9.647 17.156 1.410 1.00 0.00 C ATOM 499 CG PRO A 447 -9.284 17.195 2.885 1.00 0.00 C ATOM 500 CD PRO A 447 -8.277 16.087 3.147 1.00 0.00 C ATOM 0 HA PRO A 447 -9.063 15.640 -0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.641 18.158 0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.649 16.753 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.862 18.165 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.173 17.056 3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.365 16.479 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.677 15.342 3.835 1.00 0.00 H new ATOM 508 N ARG A 448 -6.556 17.543 0.748 1.00 0.00 N ATOM 509 CA ARG A 448 -5.472 18.317 0.168 1.00 0.00 C ATOM 510 C ARG A 448 -4.171 17.512 0.191 1.00 0.00 C ATOM 511 O ARG A 448 -3.155 17.954 -0.344 1.00 0.00 O ATOM 512 CB ARG A 448 -5.265 19.630 0.928 1.00 0.00 C ATOM 513 CG ARG A 448 -6.606 20.271 1.290 1.00 0.00 C ATOM 514 CD ARG A 448 -6.731 20.460 2.803 1.00 0.00 C ATOM 515 NE ARG A 448 -7.588 21.631 3.098 1.00 0.00 N ATOM 516 CZ ARG A 448 -7.563 22.315 4.261 1.00 0.00 C ATOM 517 NH1 ARG A 448 -6.720 21.950 5.251 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.373 23.344 4.416 1.00 0.00 N ATOM 0 H ARG A 448 -6.490 17.406 1.757 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.743 18.545 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.691 19.443 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.681 20.319 0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.699 21.235 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -7.422 19.645 0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -7.156 19.564 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -5.744 20.601 3.243 1.00 0.00 H new ATOM 0 HE ARG A 448 -8.239 21.940 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -6.097 21.153 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -6.706 22.472 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -9.006 23.613 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -8.366 23.871 5.289 1.00 0.00 H new ATOM 531 N CYS A 449 -4.246 16.345 0.814 1.00 0.00 N ATOM 532 CA CYS A 449 -3.087 15.475 0.913 1.00 0.00 C ATOM 533 C CYS A 449 -2.422 15.713 2.270 1.00 0.00 C ATOM 534 O CYS A 449 -1.339 16.292 2.341 1.00 0.00 O ATOM 535 CB CYS A 449 -2.113 15.695 -0.246 1.00 0.00 C ATOM 536 SG CYS A 449 -1.107 14.233 -0.691 1.00 0.00 S ATOM 0 H CYS A 449 -5.091 15.982 1.255 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.404 14.434 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.679 16.010 -1.123 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.443 16.515 0.012 1.00 0.00 H new ATOM 541 N GLU A 450 -3.098 15.253 3.313 1.00 0.00 N ATOM 542 CA GLU A 450 -2.586 15.409 4.664 1.00 0.00 C ATOM 543 C GLU A 450 -3.360 14.511 5.632 1.00 0.00 C ATOM 544 O GLU A 450 -3.454 14.810 6.820 1.00 0.00 O ATOM 545 CB GLU A 450 -2.644 16.873 5.107 1.00 0.00 C ATOM 546 CG GLU A 450 -4.013 17.484 4.801 1.00 0.00 C ATOM 547 CD GLU A 450 -4.194 17.694 3.295 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.283 17.439 2.760 1.00 0.00 O ATOM 549 OE2 GLU A 450 -3.153 18.140 2.678 1.00 0.00 O ATOM 0 H GLU A 450 -3.995 14.772 3.250 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.540 15.103 4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.442 16.942 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.866 17.442 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -4.800 16.831 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -4.114 18.437 5.320 1.00 0.00 H new ATOM 557 N ILE A 451 -3.894 13.429 5.085 1.00 0.00 N ATOM 558 CA ILE A 451 -4.657 12.485 5.885 1.00 0.00 C ATOM 559 C ILE A 451 -4.144 11.069 5.622 1.00 0.00 C ATOM 560 O ILE A 451 -3.731 10.751 4.508 1.00 0.00 O ATOM 561 CB ILE A 451 -6.156 12.655 5.628 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.715 13.849 6.403 1.00 0.00 C ATOM 563 CG2 ILE A 451 -6.915 11.362 5.941 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.220 15.169 5.807 1.00 0.00 C ATOM 0 H ILE A 451 -3.814 13.185 4.098 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.515 12.683 6.947 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.299 12.865 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.804 13.823 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -6.414 13.782 7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -7.978 11.509 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.540 10.558 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -6.767 11.098 6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.632 16.002 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -5.131 15.202 5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -6.544 15.244 4.769 1.00 0.00 H new ATOM 576 N ASP A 452 -4.184 10.255 6.668 1.00 0.00 N ATOM 577 CA ASP A 452 -3.730 8.880 6.564 1.00 0.00 C ATOM 578 C ASP A 452 -4.936 7.960 6.371 1.00 0.00 C ATOM 579 O ASP A 452 -5.906 8.035 7.125 1.00 0.00 O ATOM 580 CB ASP A 452 -3.001 8.443 7.836 1.00 0.00 C ATOM 581 CG ASP A 452 -3.680 7.314 8.615 1.00 0.00 C ATOM 582 OD1 ASP A 452 -4.370 7.554 9.617 1.00 0.00 O ATOM 583 OD2 ASP A 452 -3.474 6.130 8.146 1.00 0.00 O ATOM 0 H ASP A 452 -4.524 10.523 7.592 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.048 8.815 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -1.994 8.125 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -2.898 9.307 8.493 1.00 0.00 H new ATOM 589 N VAL A 453 -4.839 7.113 5.357 1.00 0.00 N ATOM 590 CA VAL A 453 -5.910 6.180 5.055 1.00 0.00 C ATOM 591 C VAL A 453 -5.585 4.818 5.675 1.00 0.00 C ATOM 592 O VAL A 453 -4.443 4.559 6.049 1.00 0.00 O ATOM 593 CB VAL A 453 -6.134 6.110 3.543 1.00 0.00 C ATOM 594 CG1 VAL A 453 -4.963 6.740 2.787 1.00 0.00 C ATOM 595 CG2 VAL A 453 -6.366 4.667 3.089 1.00 0.00 C ATOM 0 H VAL A 453 -4.034 7.054 4.734 1.00 0.00 H new ATOM 0 HA VAL A 453 -6.848 6.522 5.493 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.032 6.683 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.147 6.678 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.863 7.786 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.044 6.206 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -6.522 4.646 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.495 4.062 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -7.246 4.265 3.591 1.00 0.00 H new ATOM 605 N ASN A 454 -6.612 3.985 5.765 1.00 0.00 N ATOM 606 CA ASN A 454 -6.449 2.657 6.332 1.00 0.00 C ATOM 607 C ASN A 454 -6.382 1.628 5.203 1.00 0.00 C ATOM 608 O ASN A 454 -7.412 1.166 4.716 1.00 0.00 O ATOM 609 CB ASN A 454 -7.633 2.294 7.231 1.00 0.00 C ATOM 610 CG ASN A 454 -7.523 0.852 7.728 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.536 0.167 7.513 1.00 0.00 O ATOM 612 ND2 ASN A 454 -8.586 0.429 8.405 1.00 0.00 N ATOM 0 H ASN A 454 -7.559 4.204 5.455 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.532 2.653 6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.669 2.974 8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.565 2.422 6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -8.608 -0.519 8.780 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -9.380 1.053 8.550 1.00 0.00 H new ATOM 619 N GLU A 455 -5.157 1.300 4.818 1.00 0.00 N ATOM 620 CA GLU A 455 -4.941 0.334 3.753 1.00 0.00 C ATOM 621 C GLU A 455 -5.539 -1.020 4.137 1.00 0.00 C ATOM 622 O GLU A 455 -5.626 -1.923 3.304 1.00 0.00 O ATOM 623 CB GLU A 455 -3.452 0.203 3.427 1.00 0.00 C ATOM 624 CG GLU A 455 -2.868 1.545 2.981 1.00 0.00 C ATOM 625 CD GLU A 455 -2.479 2.401 4.188 1.00 0.00 C ATOM 626 OE1 GLU A 455 -1.949 1.875 5.178 1.00 0.00 O ATOM 627 OE2 GLU A 455 -2.747 3.658 4.074 1.00 0.00 O ATOM 0 H GLU A 455 -4.304 1.685 5.224 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.446 0.691 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -2.915 -0.158 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.312 -0.538 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -1.993 1.375 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -3.597 2.079 2.372 1.00 0.00 H new ATOM 635 N CYS A 456 -5.939 -1.121 5.396 1.00 0.00 N ATOM 636 CA CYS A 456 -6.526 -2.350 5.899 1.00 0.00 C ATOM 637 C CYS A 456 -8.025 -2.328 5.588 1.00 0.00 C ATOM 638 O CYS A 456 -8.777 -3.168 6.082 1.00 0.00 O ATOM 639 CB CYS A 456 -6.256 -2.535 7.394 1.00 0.00 C ATOM 640 SG CYS A 456 -5.631 -4.191 7.861 1.00 0.00 S ATOM 0 H CYS A 456 -5.868 -0.370 6.083 1.00 0.00 H new ATOM 0 HA CYS A 456 -6.065 -3.206 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.532 -1.785 7.714 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -7.178 -2.342 7.942 1.00 0.00 H new ATOM 645 N VAL A 457 -8.413 -1.360 4.773 1.00 0.00 N ATOM 646 CA VAL A 457 -9.807 -1.217 4.389 1.00 0.00 C ATOM 647 C VAL A 457 -10.092 -2.106 3.177 1.00 0.00 C ATOM 648 O VAL A 457 -11.200 -2.619 3.025 1.00 0.00 O ATOM 649 CB VAL A 457 -10.134 0.256 4.141 1.00 0.00 C ATOM 650 CG1 VAL A 457 -9.838 1.101 5.382 1.00 0.00 C ATOM 651 CG2 VAL A 457 -9.376 0.787 2.922 1.00 0.00 C ATOM 0 H VAL A 457 -7.786 -0.666 4.367 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.461 -1.549 5.196 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.201 0.332 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.079 2.144 5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -10.442 0.745 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -8.781 1.016 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -9.626 1.837 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -8.303 0.690 3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -9.658 0.213 2.040 1.00 0.00 H new ATOM 661 N SER A 458 -9.072 -2.263 2.346 1.00 0.00 N ATOM 662 CA SER A 458 -9.199 -3.080 1.152 1.00 0.00 C ATOM 663 C SER A 458 -8.268 -4.290 1.245 1.00 0.00 C ATOM 664 O SER A 458 -8.248 -5.134 0.349 1.00 0.00 O ATOM 665 CB SER A 458 -8.890 -2.269 -0.108 1.00 0.00 C ATOM 666 OG SER A 458 -9.841 -1.228 -0.319 1.00 0.00 O ATOM 0 H SER A 458 -8.154 -1.838 2.476 1.00 0.00 H new ATOM 0 HA SER A 458 -10.230 -3.426 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 458 -7.892 -1.838 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 458 -8.880 -2.932 -0.973 1.00 0.00 H new ATOM 0 HG SER A 458 -9.608 -0.732 -1.132 1.00 0.00 H new ATOM 672 N ASN A 459 -7.517 -4.336 2.336 1.00 0.00 N ATOM 673 CA ASN A 459 -6.586 -5.430 2.557 1.00 0.00 C ATOM 674 C ASN A 459 -6.515 -5.738 4.054 1.00 0.00 C ATOM 675 O ASN A 459 -5.442 -5.685 4.653 1.00 0.00 O ATOM 676 CB ASN A 459 -5.179 -5.058 2.085 1.00 0.00 C ATOM 677 CG ASN A 459 -5.233 -4.214 0.810 1.00 0.00 C ATOM 678 OD1 ASN A 459 -4.841 -4.639 -0.265 1.00 0.00 O ATOM 679 ND2 ASN A 459 -5.740 -2.998 0.988 1.00 0.00 N ATOM 0 H ASN A 459 -7.534 -3.634 3.076 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.940 -6.294 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.663 -4.505 2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.602 -5.964 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -5.819 -2.358 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -6.050 -2.705 1.915 1.00 0.00 H new ATOM 686 N PRO A 460 -7.704 -6.065 4.630 1.00 0.00 N ATOM 687 CA PRO A 460 -7.787 -6.382 6.045 1.00 0.00 C ATOM 688 C PRO A 460 -7.228 -7.778 6.327 1.00 0.00 C ATOM 689 O PRO A 460 -7.111 -8.182 7.483 1.00 0.00 O ATOM 690 CB PRO A 460 -9.261 -6.252 6.391 1.00 0.00 C ATOM 691 CG PRO A 460 -10.008 -6.321 5.068 1.00 0.00 C ATOM 692 CD PRO A 460 -8.994 -6.138 3.951 1.00 0.00 C ATOM 0 HA PRO A 460 -7.186 -5.714 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.577 -7.052 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -9.460 -5.311 6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.518 -7.279 4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.773 -5.546 5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -9.025 -6.970 3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.193 -5.231 3.380 1.00 0.00 H new ATOM 700 N CYS A 461 -6.897 -8.478 5.251 1.00 0.00 N ATOM 701 CA CYS A 461 -6.354 -9.820 5.368 1.00 0.00 C ATOM 702 C CYS A 461 -7.488 -10.764 5.773 1.00 0.00 C ATOM 703 O CYS A 461 -7.242 -11.835 6.326 1.00 0.00 O ATOM 704 CB CYS A 461 -5.187 -9.873 6.357 1.00 0.00 C ATOM 705 SG CYS A 461 -3.614 -10.490 5.654 1.00 0.00 S ATOM 0 H CYS A 461 -6.995 -8.140 4.294 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.946 -10.135 4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -5.022 -8.873 6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -5.468 -10.510 7.196 1.00 0.00 H new ATOM 710 N GLN A 462 -8.706 -10.332 5.481 1.00 0.00 N ATOM 711 CA GLN A 462 -9.878 -11.126 5.809 1.00 0.00 C ATOM 712 C GLN A 462 -9.749 -11.712 7.216 1.00 0.00 C ATOM 713 O GLN A 462 -9.144 -11.098 8.093 1.00 0.00 O ATOM 714 CB GLN A 462 -10.099 -12.231 4.774 1.00 0.00 C ATOM 715 CG GLN A 462 -9.041 -13.327 4.907 1.00 0.00 C ATOM 716 CD GLN A 462 -9.617 -14.695 4.537 1.00 0.00 C ATOM 717 OE1 GLN A 462 -9.432 -15.034 3.264 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -10.192 -15.397 5.354 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.907 -9.444 5.022 1.00 0.00 H new ATOM 0 HA GLN A 462 -10.750 -10.473 5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -11.092 -12.662 4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -10.064 -11.807 3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -8.193 -13.099 4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -8.665 -13.352 5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -10.300 -15.076 6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -10.565 -16.304 5.074 1.00 0.00 H new ATOM 727 N ASN A 463 -10.326 -12.892 7.386 1.00 0.00 N ATOM 728 CA ASN A 463 -10.283 -13.567 8.673 1.00 0.00 C ATOM 729 C ASN A 463 -9.175 -14.623 8.652 1.00 0.00 C ATOM 730 O ASN A 463 -9.357 -15.727 9.163 1.00 0.00 O ATOM 731 CB ASN A 463 -11.606 -14.275 8.968 1.00 0.00 C ATOM 732 CG ASN A 463 -12.795 -13.425 8.515 1.00 0.00 C ATOM 733 OD1 ASN A 463 -13.373 -12.666 9.275 1.00 0.00 O ATOM 734 ND2 ASN A 463 -13.127 -13.596 7.239 1.00 0.00 N ATOM 0 H ASN A 463 -10.826 -13.398 6.655 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.097 -12.817 9.442 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -11.628 -15.239 8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.684 -14.477 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -13.908 -13.075 6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -12.600 -14.248 6.658 1.00 0.00 H new ATOM 741 N ASP A 464 -8.054 -14.248 8.055 1.00 0.00 N ATOM 742 CA ASP A 464 -6.918 -15.148 7.961 1.00 0.00 C ATOM 743 C ASP A 464 -5.634 -14.378 8.273 1.00 0.00 C ATOM 744 O ASP A 464 -4.554 -14.755 7.820 1.00 0.00 O ATOM 745 CB ASP A 464 -6.791 -15.728 6.550 1.00 0.00 C ATOM 746 CG ASP A 464 -7.249 -17.180 6.404 1.00 0.00 C ATOM 747 OD1 ASP A 464 -8.448 -17.460 6.262 1.00 0.00 O ATOM 748 OD2 ASP A 464 -6.303 -18.056 6.441 1.00 0.00 O ATOM 0 H ASP A 464 -7.908 -13.332 7.631 1.00 0.00 H new ATOM 0 HA ASP A 464 -7.071 -15.959 8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -7.371 -15.109 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -5.749 -15.658 6.237 1.00 0.00 H new ATOM 754 N ALA A 465 -5.794 -13.313 9.044 1.00 0.00 N ATOM 755 CA ALA A 465 -4.660 -12.486 9.423 1.00 0.00 C ATOM 756 C ALA A 465 -5.149 -11.326 10.293 1.00 0.00 C ATOM 757 O ALA A 465 -6.246 -10.811 10.087 1.00 0.00 O ATOM 758 CB ALA A 465 -3.935 -12.006 8.164 1.00 0.00 C ATOM 0 H ALA A 465 -6.691 -13.003 9.417 1.00 0.00 H new ATOM 0 HA ALA A 465 -3.945 -13.061 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.085 -11.386 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.583 -12.867 7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.621 -11.422 7.550 1.00 0.00 H new ATOM 764 N THR A 466 -4.309 -10.950 11.247 1.00 0.00 N ATOM 765 CA THR A 466 -4.641 -9.861 12.149 1.00 0.00 C ATOM 766 C THR A 466 -4.327 -8.513 11.495 1.00 0.00 C ATOM 767 O THR A 466 -3.163 -8.159 11.320 1.00 0.00 O ATOM 768 CB THR A 466 -3.890 -10.088 13.462 1.00 0.00 C ATOM 769 OG1 THR A 466 -4.661 -11.079 14.136 1.00 0.00 O ATOM 770 CG2 THR A 466 -3.951 -8.873 14.390 1.00 0.00 C ATOM 0 H THR A 466 -3.400 -11.380 11.414 1.00 0.00 H new ATOM 0 HA THR A 466 -5.709 -9.841 12.368 1.00 0.00 H new ATOM 0 HB THR A 466 -2.849 -10.328 13.247 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.244 -11.288 14.998 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.402 -9.088 15.307 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.504 -8.012 13.893 1.00 0.00 H new ATOM 0 HG23 THR A 466 -4.990 -8.652 14.632 1.00 0.00 H new ATOM 778 N CYS A 467 -5.388 -7.796 11.153 1.00 0.00 N ATOM 779 CA CYS A 467 -5.242 -6.495 10.524 1.00 0.00 C ATOM 780 C CYS A 467 -4.507 -5.571 11.497 1.00 0.00 C ATOM 781 O CYS A 467 -4.677 -5.680 12.711 1.00 0.00 O ATOM 782 CB CYS A 467 -6.593 -5.917 10.097 1.00 0.00 C ATOM 783 SG CYS A 467 -6.599 -4.110 9.810 1.00 0.00 S ATOM 0 H CYS A 467 -6.353 -8.092 11.300 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.659 -6.595 9.608 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -6.913 -6.417 9.183 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.331 -6.151 10.864 1.00 0.00 H new ATOM 788 N LEU A 468 -3.706 -4.682 10.926 1.00 0.00 N ATOM 789 CA LEU A 468 -2.943 -3.740 11.729 1.00 0.00 C ATOM 790 C LEU A 468 -2.504 -2.568 10.849 1.00 0.00 C ATOM 791 O LEU A 468 -1.420 -2.598 10.267 1.00 0.00 O ATOM 792 CB LEU A 468 -1.785 -4.450 12.434 1.00 0.00 C ATOM 793 CG LEU A 468 -2.120 -5.112 13.772 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.846 -5.529 14.510 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.006 -4.205 14.626 1.00 0.00 C ATOM 0 H LEU A 468 -3.569 -4.594 9.919 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.563 -3.327 12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -1.390 -5.212 11.763 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.987 -3.726 12.599 1.00 0.00 H new ATOM 0 HG LEU A 468 -2.689 -6.020 13.572 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.111 -5.997 15.458 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.287 -6.238 13.899 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.231 -4.649 14.699 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.229 -4.700 15.571 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.486 -3.267 14.821 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.936 -4.000 14.095 1.00 0.00 H new ATOM 807 N ASP A 469 -3.366 -1.564 10.781 1.00 0.00 N ATOM 808 CA ASP A 469 -3.079 -0.385 9.983 1.00 0.00 C ATOM 809 C ASP A 469 -1.896 0.368 10.598 1.00 0.00 C ATOM 810 O ASP A 469 -1.805 0.496 11.817 1.00 0.00 O ATOM 811 CB ASP A 469 -4.278 0.565 9.951 1.00 0.00 C ATOM 812 CG ASP A 469 -3.936 2.030 9.680 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.230 2.918 10.495 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.333 2.251 8.561 1.00 0.00 O ATOM 0 H ASP A 469 -4.263 -1.543 11.266 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.851 -0.713 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -4.973 0.222 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.799 0.500 10.906 1.00 0.00 H new ATOM 820 N GLN A 470 -1.020 0.843 9.726 1.00 0.00 N ATOM 821 CA GLN A 470 0.152 1.580 10.168 1.00 0.00 C ATOM 822 C GLN A 470 0.221 2.938 9.468 1.00 0.00 C ATOM 823 O GLN A 470 -0.736 3.354 8.815 1.00 0.00 O ATOM 824 CB GLN A 470 1.429 0.773 9.925 1.00 0.00 C ATOM 825 CG GLN A 470 1.918 0.121 11.219 1.00 0.00 C ATOM 826 CD GLN A 470 2.178 -1.374 11.016 1.00 0.00 C ATOM 827 OE1 GLN A 470 1.189 -2.156 11.435 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 3.209 -1.788 10.511 1.00 0.00 N flip ATOM 0 H GLN A 470 -1.098 0.732 8.715 1.00 0.00 H new ATOM 0 HA GLN A 470 0.067 1.751 11.241 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.241 0.005 9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 470 2.206 1.425 9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.832 0.611 11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 470 1.175 0.261 12.004 1.00 0.00 H new ATOM 0 HE21 GLN A 470 3.929 -1.131 10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 470 3.350 -2.791 10.389 1.00 0.00 H new ATOM 837 N ILE A 471 1.362 3.593 9.627 1.00 0.00 N ATOM 838 CA ILE A 471 1.567 4.898 9.019 1.00 0.00 C ATOM 839 C ILE A 471 1.707 4.732 7.504 1.00 0.00 C ATOM 840 O ILE A 471 2.609 4.042 7.032 1.00 0.00 O ATOM 841 CB ILE A 471 2.753 5.612 9.671 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.814 4.608 10.127 1.00 0.00 C ATOM 843 CG2 ILE A 471 2.287 6.513 10.816 1.00 0.00 C ATOM 844 CD1 ILE A 471 4.182 3.646 8.995 1.00 0.00 C ATOM 0 H ILE A 471 2.154 3.245 10.168 1.00 0.00 H new ATOM 0 HA ILE A 471 0.703 5.540 9.192 1.00 0.00 H new ATOM 0 HB ILE A 471 3.218 6.255 8.924 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.705 5.141 10.460 1.00 0.00 H new ATOM 0 HG13 ILE A 471 3.442 4.044 10.982 1.00 0.00 H new ATOM 0 HG21 ILE A 471 3.149 7.009 11.263 1.00 0.00 H new ATOM 0 HG22 ILE A 471 1.596 7.263 10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.784 5.910 11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.938 2.943 9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.294 3.097 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.577 4.211 8.151 1.00 0.00 H new ATOM 856 N GLY A 472 0.800 5.376 6.785 1.00 0.00 N ATOM 857 CA GLY A 472 0.811 5.308 5.333 1.00 0.00 C ATOM 858 C GLY A 472 1.049 3.876 4.853 1.00 0.00 C ATOM 859 O GLY A 472 1.490 3.661 3.724 1.00 0.00 O ATOM 0 H GLY A 472 0.053 5.947 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.138 5.674 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.591 5.961 4.941 1.00 0.00 H new ATOM 863 N GLU A 473 0.745 2.933 5.731 1.00 0.00 N ATOM 864 CA GLU A 473 0.920 1.527 5.411 1.00 0.00 C ATOM 865 C GLU A 473 0.239 0.652 6.465 1.00 0.00 C ATOM 866 O GLU A 473 0.087 1.065 7.615 1.00 0.00 O ATOM 867 CB GLU A 473 2.404 1.174 5.281 1.00 0.00 C ATOM 868 CG GLU A 473 3.095 1.205 6.646 1.00 0.00 C ATOM 869 CD GLU A 473 3.947 -0.048 6.858 1.00 0.00 C ATOM 870 OE1 GLU A 473 3.428 -1.171 6.772 1.00 0.00 O ATOM 871 OE2 GLU A 473 5.190 0.175 7.118 1.00 0.00 O ATOM 0 H GLU A 473 0.378 3.115 6.665 1.00 0.00 H new ATOM 0 HA GLU A 473 0.448 1.334 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.509 0.183 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 473 2.891 1.878 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 473 3.723 2.093 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.346 1.278 7.435 1.00 0.00 H new ATOM 879 N PHE A 474 -0.153 -0.539 6.037 1.00 0.00 N ATOM 880 CA PHE A 474 -0.814 -1.475 6.930 1.00 0.00 C ATOM 881 C PHE A 474 -0.071 -2.812 6.972 1.00 0.00 C ATOM 882 O PHE A 474 0.716 -3.116 6.077 1.00 0.00 O ATOM 883 CB PHE A 474 -2.221 -1.704 6.377 1.00 0.00 C ATOM 884 CG PHE A 474 -2.278 -2.687 5.207 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.811 -2.317 3.983 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.795 -3.932 5.389 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.863 -3.231 2.898 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.846 -4.846 4.303 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.380 -4.476 3.080 1.00 0.00 C ATOM 0 H PHE A 474 -0.025 -0.877 5.083 1.00 0.00 H new ATOM 0 HA PHE A 474 -0.836 -1.071 7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -2.860 -2.073 7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.634 -0.748 6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.401 -1.328 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -3.167 -4.226 6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -1.492 -2.938 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -3.255 -5.835 4.448 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.420 -5.170 2.254 1.00 0.00 H new ATOM 899 N GLN A 475 -0.349 -3.575 8.019 1.00 0.00 N ATOM 900 CA GLN A 475 0.282 -4.872 8.187 1.00 0.00 C ATOM 901 C GLN A 475 -0.725 -5.887 8.734 1.00 0.00 C ATOM 902 O GLN A 475 -1.497 -5.574 9.640 1.00 0.00 O ATOM 903 CB GLN A 475 1.508 -4.771 9.098 1.00 0.00 C ATOM 904 CG GLN A 475 1.206 -5.331 10.489 1.00 0.00 C ATOM 905 CD GLN A 475 2.419 -5.198 11.410 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.098 -4.183 11.442 1.00 0.00 O ATOM 907 NE2 GLN A 475 2.657 -6.275 12.153 1.00 0.00 N ATOM 0 H GLN A 475 -1.003 -3.319 8.759 1.00 0.00 H new ATOM 0 HA GLN A 475 0.622 -5.218 7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 475 2.340 -5.318 8.655 1.00 0.00 H new ATOM 0 HB3 GLN A 475 1.819 -3.730 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.357 -4.801 10.921 1.00 0.00 H new ATOM 0 HG3 GLN A 475 0.920 -6.380 10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.050 -7.091 12.078 1.00 0.00 H new ATOM 0 HE22 GLN A 475 3.447 -6.285 12.798 1.00 0.00 H new ATOM 916 N CYS A 476 -0.685 -7.080 8.162 1.00 0.00 N ATOM 917 CA CYS A 476 -1.585 -8.141 8.581 1.00 0.00 C ATOM 918 C CYS A 476 -0.749 -9.387 8.885 1.00 0.00 C ATOM 919 O CYS A 476 -0.164 -9.982 7.981 1.00 0.00 O ATOM 920 CB CYS A 476 -2.662 -8.419 7.529 1.00 0.00 C ATOM 921 SG CYS A 476 -2.080 -9.347 6.063 1.00 0.00 S ATOM 0 H CYS A 476 -0.043 -7.336 7.412 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.120 -7.834 9.480 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.472 -8.978 7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.080 -7.469 7.198 1.00 0.00 H new ATOM 926 N ILE A 477 -0.720 -9.744 10.161 1.00 0.00 N ATOM 927 CA ILE A 477 0.034 -10.908 10.595 1.00 0.00 C ATOM 928 C ILE A 477 -0.772 -12.173 10.293 1.00 0.00 C ATOM 929 O ILE A 477 -1.883 -12.340 10.794 1.00 0.00 O ATOM 930 CB ILE A 477 0.434 -10.769 12.065 1.00 0.00 C ATOM 931 CG1 ILE A 477 1.447 -9.638 12.253 1.00 0.00 C ATOM 932 CG2 ILE A 477 0.948 -12.098 12.621 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.597 -9.759 11.253 1.00 0.00 C ATOM 0 H ILE A 477 -1.206 -9.248 10.908 1.00 0.00 H new ATOM 0 HA ILE A 477 0.969 -10.986 10.041 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.455 -10.503 12.637 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.951 -8.676 12.127 1.00 0.00 H new ATOM 0 HG13 ILE A 477 1.840 -9.663 13.269 1.00 0.00 H new ATOM 0 HG21 ILE A 477 1.226 -11.972 13.667 1.00 0.00 H new ATOM 0 HG22 ILE A 477 0.165 -12.853 12.542 1.00 0.00 H new ATOM 0 HG23 ILE A 477 1.820 -12.418 12.051 1.00 0.00 H new ATOM 0 HD11 ILE A 477 3.302 -8.943 11.409 1.00 0.00 H new ATOM 0 HD12 ILE A 477 3.107 -10.711 11.398 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.203 -9.709 10.238 1.00 0.00 H new ATOM 945 N CYS A 478 -0.180 -13.032 9.476 1.00 0.00 N ATOM 946 CA CYS A 478 -0.829 -14.277 9.102 1.00 0.00 C ATOM 947 C CYS A 478 0.057 -15.438 9.562 1.00 0.00 C ATOM 948 O CYS A 478 1.097 -15.221 10.183 1.00 0.00 O ATOM 949 CB CYS A 478 -1.113 -14.338 7.600 1.00 0.00 C ATOM 950 SG CYS A 478 -0.804 -12.776 6.697 1.00 0.00 S ATOM 0 H CYS A 478 0.742 -12.890 9.063 1.00 0.00 H new ATOM 0 HA CYS A 478 -1.800 -14.345 9.592 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -0.499 -15.123 7.160 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -2.154 -14.627 7.453 1.00 0.00 H new ATOM 955 N MET A 479 -0.386 -16.643 9.239 1.00 0.00 N ATOM 956 CA MET A 479 0.353 -17.837 9.611 1.00 0.00 C ATOM 957 C MET A 479 1.435 -18.156 8.578 1.00 0.00 C ATOM 958 O MET A 479 1.265 -17.883 7.390 1.00 0.00 O ATOM 959 CB MET A 479 -0.611 -19.020 9.723 1.00 0.00 C ATOM 960 CG MET A 479 -1.686 -18.754 10.780 1.00 0.00 C ATOM 961 SD MET A 479 -1.160 -19.396 12.360 1.00 0.00 S ATOM 962 CE MET A 479 -0.707 -17.877 13.179 1.00 0.00 C ATOM 0 H MET A 479 -1.248 -16.819 8.723 1.00 0.00 H new ATOM 0 HA MET A 479 0.836 -17.658 10.572 1.00 0.00 H new ATOM 0 HB2 MET A 479 -1.083 -19.202 8.757 1.00 0.00 H new ATOM 0 HB3 MET A 479 -0.057 -19.922 9.982 1.00 0.00 H new ATOM 0 HG2 MET A 479 -1.874 -17.683 10.858 1.00 0.00 H new ATOM 0 HG3 MET A 479 -2.624 -19.222 10.482 1.00 0.00 H new ATOM 0 HE1 MET A 479 0.138 -18.060 13.843 1.00 0.00 H new ATOM 0 HE2 MET A 479 -0.429 -17.131 12.434 1.00 0.00 H new ATOM 0 HE3 MET A 479 -1.553 -17.511 13.761 1.00 0.00 H new ATOM 972 N PRO A 480 2.554 -18.746 9.080 1.00 0.00 N ATOM 973 CA PRO A 480 3.663 -19.105 8.214 1.00 0.00 C ATOM 974 C PRO A 480 3.335 -20.352 7.389 1.00 0.00 C ATOM 975 O PRO A 480 4.078 -21.331 7.415 1.00 0.00 O ATOM 976 CB PRO A 480 4.844 -19.307 9.150 1.00 0.00 C ATOM 977 CG PRO A 480 4.249 -19.508 10.534 1.00 0.00 C ATOM 978 CD PRO A 480 2.790 -19.083 10.480 1.00 0.00 C ATOM 0 HA PRO A 480 3.884 -18.335 7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 480 5.437 -20.171 8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 480 5.509 -18.443 9.132 1.00 0.00 H new ATOM 0 HG2 PRO A 480 4.332 -20.552 10.837 1.00 0.00 H new ATOM 0 HG3 PRO A 480 4.792 -18.918 11.272 1.00 0.00 H new ATOM 0 HD2 PRO A 480 2.131 -19.886 10.811 1.00 0.00 H new ATOM 0 HD3 PRO A 480 2.602 -18.229 11.130 1.00 0.00 H new ATOM 986 N GLY A 481 2.219 -20.275 6.679 1.00 0.00 N ATOM 987 CA GLY A 481 1.783 -21.385 5.849 1.00 0.00 C ATOM 988 C GLY A 481 1.049 -20.884 4.604 1.00 0.00 C ATOM 989 O GLY A 481 1.236 -21.418 3.512 1.00 0.00 O ATOM 0 H GLY A 481 1.604 -19.462 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 481 2.645 -21.982 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 481 1.127 -22.038 6.424 1.00 0.00 H new ATOM 993 N TYR A 482 0.230 -19.863 4.809 1.00 0.00 N ATOM 994 CA TYR A 482 -0.531 -19.282 3.717 1.00 0.00 C ATOM 995 C TYR A 482 0.105 -17.978 3.235 1.00 0.00 C ATOM 996 O TYR A 482 1.032 -17.467 3.863 1.00 0.00 O ATOM 997 CB TYR A 482 -1.920 -18.981 4.284 1.00 0.00 C ATOM 998 CG TYR A 482 -2.782 -20.222 4.513 1.00 0.00 C ATOM 999 CD1 TYR A 482 -3.484 -20.779 3.463 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -2.858 -20.788 5.771 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -4.296 -21.948 3.680 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -3.671 -21.957 5.987 1.00 0.00 C ATOM 1003 CZ TYR A 482 -4.349 -22.479 4.931 1.00 0.00 C ATOM 1004 OH TYR A 482 -5.117 -23.584 5.134 1.00 0.00 O ATOM 0 H TYR A 482 0.077 -19.423 5.716 1.00 0.00 H new ATOM 0 HA TYR A 482 -0.565 -19.965 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.808 -18.450 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -2.442 -18.310 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -3.424 -20.338 2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -2.308 -20.354 6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -4.851 -22.393 2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -3.740 -22.408 6.966 1.00 0.00 H new ATOM 0 HH TYR A 482 -5.059 -23.854 6.074 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.418 -17.475 2.127 1.00 0.00 N ATOM 1015 CA GLU A 483 0.089 -16.238 1.554 1.00 0.00 C ATOM 1016 C GLU A 483 -1.002 -15.548 0.734 1.00 0.00 C ATOM 1017 O GLU A 483 -2.136 -16.022 0.679 1.00 0.00 O ATOM 1018 CB GLU A 483 1.334 -16.497 0.705 1.00 0.00 C ATOM 1019 CG GLU A 483 2.368 -15.386 0.892 1.00 0.00 C ATOM 1020 CD GLU A 483 3.110 -15.100 -0.414 1.00 0.00 C ATOM 1021 OE1 GLU A 483 3.643 -16.029 -1.041 1.00 0.00 O ATOM 1022 OE2 GLU A 483 3.123 -13.861 -0.775 1.00 0.00 O ATOM 0 H GLU A 483 -1.187 -17.901 1.610 1.00 0.00 H new ATOM 0 HA GLU A 483 0.378 -15.574 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.772 -17.456 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.054 -16.564 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 483 1.873 -14.479 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.082 -15.675 1.664 1.00 0.00 H new ATOM 1030 N GLY A 484 -0.620 -14.440 0.116 1.00 0.00 N ATOM 1031 CA GLY A 484 -1.552 -13.679 -0.700 1.00 0.00 C ATOM 1032 C GLY A 484 -1.991 -12.401 0.017 1.00 0.00 C ATOM 1033 O GLY A 484 -1.475 -12.075 1.085 1.00 0.00 O ATOM 0 H GLY A 484 0.322 -14.051 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -1.084 -13.424 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -2.425 -14.291 -0.928 1.00 0.00 H new ATOM 1037 N VAL A 485 -2.939 -11.709 -0.600 1.00 0.00 N ATOM 1038 CA VAL A 485 -3.452 -10.473 -0.035 1.00 0.00 C ATOM 1039 C VAL A 485 -4.457 -10.802 1.069 1.00 0.00 C ATOM 1040 O VAL A 485 -4.686 -9.993 1.968 1.00 0.00 O ATOM 1041 CB VAL A 485 -4.044 -9.598 -1.142 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -5.476 -9.182 -0.803 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -3.163 -8.374 -1.402 1.00 0.00 C ATOM 0 H VAL A 485 -3.365 -11.982 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 485 -2.646 -9.897 0.420 1.00 0.00 H new ATOM 0 HB VAL A 485 -4.075 -10.189 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -5.874 -8.561 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -6.096 -10.071 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -5.480 -8.617 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -3.606 -7.769 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -3.086 -7.781 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 485 -2.169 -8.700 -1.708 1.00 0.00 H new ATOM 1053 N HIS A 486 -5.032 -11.992 0.968 1.00 0.00 N ATOM 1054 CA HIS A 486 -6.008 -12.437 1.947 1.00 0.00 C ATOM 1055 C HIS A 486 -5.334 -13.369 2.957 1.00 0.00 C ATOM 1056 O HIS A 486 -5.939 -13.747 3.958 1.00 0.00 O ATOM 1057 CB HIS A 486 -7.213 -13.082 1.259 1.00 0.00 C ATOM 1058 CG HIS A 486 -7.141 -13.064 -0.249 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -6.776 -14.169 -0.996 1.00 0.00 N ATOM 1060 CD2 HIS A 486 -7.394 -12.063 -1.141 1.00 0.00 C ATOM 1061 CE1 HIS A 486 -6.807 -13.838 -2.279 1.00 0.00 C ATOM 1062 NE2 HIS A 486 -7.191 -12.531 -2.366 1.00 0.00 N ATOM 0 H HIS A 486 -4.840 -12.661 0.223 1.00 0.00 H new ATOM 0 HA HIS A 486 -6.393 -11.578 2.497 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -7.301 -14.115 1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -8.119 -12.565 1.576 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -7.707 -11.060 -0.892 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -6.570 -14.487 -3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -7.303 -12.001 -3.230 1.00 0.00 H new ATOM 1070 N CYS A 487 -4.090 -13.709 2.659 1.00 0.00 N ATOM 1071 CA CYS A 487 -3.326 -14.589 3.528 1.00 0.00 C ATOM 1072 C CYS A 487 -4.055 -15.932 3.613 1.00 0.00 C ATOM 1073 O CYS A 487 -3.767 -16.744 4.490 1.00 0.00 O ATOM 1074 CB CYS A 487 -3.110 -13.970 4.911 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.759 -12.736 4.996 1.00 0.00 S ATOM 0 H CYS A 487 -3.591 -13.392 1.828 1.00 0.00 H new ATOM 0 HA CYS A 487 -2.331 -14.742 3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -4.038 -13.495 5.230 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.899 -14.769 5.622 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.983 -16.125 2.687 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.755 -17.354 2.645 1.00 0.00 C ATOM 1082 C GLU A 488 -5.314 -18.219 1.462 1.00 0.00 C ATOM 1083 O GLU A 488 -5.924 -19.247 1.178 1.00 0.00 O ATOM 1084 CB GLU A 488 -7.255 -17.058 2.580 1.00 0.00 C ATOM 1085 CG GLU A 488 -7.691 -16.755 1.145 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.547 -17.889 0.580 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.570 -18.992 1.148 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.209 -17.593 -0.489 1.00 0.00 O ATOM 0 H GLU A 488 -5.217 -15.450 1.960 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.568 -17.909 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -7.815 -17.912 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -7.490 -16.210 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -8.255 -15.823 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -6.812 -16.611 0.517 1.00 0.00 H new ATOM 1096 N VAL A 489 -4.256 -17.768 0.805 1.00 0.00 N ATOM 1097 CA VAL A 489 -3.725 -18.486 -0.342 1.00 0.00 C ATOM 1098 C VAL A 489 -2.704 -19.520 0.139 1.00 0.00 C ATOM 1099 O VAL A 489 -1.582 -19.168 0.500 1.00 0.00 O ATOM 1100 CB VAL A 489 -3.144 -17.499 -1.355 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -2.958 -18.162 -2.722 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -4.019 -16.250 -1.467 1.00 0.00 C ATOM 0 H VAL A 489 -3.752 -16.914 1.045 1.00 0.00 H new ATOM 0 HA VAL A 489 -4.520 -19.027 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 489 -2.162 -17.190 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.544 -17.438 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -2.276 -19.007 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -3.922 -18.513 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -3.583 -15.565 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -5.020 -16.535 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -4.078 -15.759 -0.496 1.00 0.00 H new ATOM 1112 N ASN A 490 -3.131 -20.775 0.126 1.00 0.00 N ATOM 1113 CA ASN A 490 -2.266 -21.863 0.556 1.00 0.00 C ATOM 1114 C ASN A 490 -1.111 -22.011 -0.435 1.00 0.00 C ATOM 1115 O ASN A 490 -1.294 -21.837 -1.639 1.00 0.00 O ATOM 1116 CB ASN A 490 -3.029 -23.189 0.595 1.00 0.00 C ATOM 1117 CG ASN A 490 -2.109 -24.338 1.005 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -1.243 -24.771 0.262 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -2.342 -24.809 2.228 1.00 0.00 N ATOM 0 H ASN A 490 -4.062 -21.063 -0.175 1.00 0.00 H new ATOM 0 HA ASN A 490 -1.899 -21.629 1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -3.859 -23.115 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -3.459 -23.394 -0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -1.780 -25.577 2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -3.083 -24.402 2.799 1.00 0.00 H new ATOM 1126 N THR A 491 0.054 -22.333 0.109 1.00 0.00 N ATOM 1127 CA THR A 491 1.240 -22.507 -0.712 1.00 0.00 C ATOM 1128 C THR A 491 0.879 -23.199 -2.029 1.00 0.00 C ATOM 1129 O THR A 491 -0.141 -23.879 -2.118 1.00 0.00 O ATOM 1130 CB THR A 491 2.278 -23.274 0.112 1.00 0.00 C ATOM 1131 OG1 THR A 491 3.446 -23.261 -0.702 1.00 0.00 O ATOM 1132 CG2 THR A 491 1.935 -24.758 0.250 1.00 0.00 C ATOM 0 H THR A 491 0.201 -22.478 1.108 1.00 0.00 H new ATOM 0 HA THR A 491 1.672 -21.546 -0.992 1.00 0.00 H new ATOM 0 HB THR A 491 2.357 -22.827 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 491 4.170 -23.736 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 491 2.703 -25.255 0.843 1.00 0.00 H new ATOM 0 HG22 THR A 491 0.969 -24.864 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 491 1.888 -25.214 -0.739 1.00 0.00 H new ATOM 1140 N ASP A 492 1.738 -23.001 -3.019 1.00 0.00 N ATOM 1141 CA ASP A 492 1.524 -23.596 -4.327 1.00 0.00 C ATOM 1142 C ASP A 492 2.090 -25.017 -4.334 1.00 0.00 C ATOM 1143 O ASP A 492 3.048 -25.311 -3.620 1.00 0.00 O ATOM 1144 CB ASP A 492 2.237 -22.797 -5.419 1.00 0.00 C ATOM 1145 CG ASP A 492 1.436 -22.610 -6.710 1.00 0.00 C ATOM 1146 OD1 ASP A 492 0.794 -21.570 -6.918 1.00 0.00 O ATOM 1147 OD2 ASP A 492 1.492 -23.601 -7.534 1.00 0.00 O ATOM 0 H ASP A 492 2.584 -22.436 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 492 0.452 -23.599 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 492 2.492 -21.815 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 492 3.175 -23.297 -5.660 1.00 0.00 H new ATOM 1153 N GLU A 493 1.474 -25.861 -5.149 1.00 0.00 N ATOM 1154 CA GLU A 493 1.905 -27.244 -5.259 1.00 0.00 C ATOM 1155 C GLU A 493 1.883 -27.692 -6.722 1.00 0.00 C ATOM 1156 O GLU A 493 1.769 -28.884 -7.008 1.00 0.00 O ATOM 1157 CB GLU A 493 1.037 -28.159 -4.392 1.00 0.00 C ATOM 1158 CG GLU A 493 -0.394 -28.228 -4.929 1.00 0.00 C ATOM 1159 CD GLU A 493 -1.371 -27.540 -3.974 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -1.314 -27.773 -2.756 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -2.212 -26.740 -4.535 1.00 0.00 O ATOM 0 H GLU A 493 0.680 -25.613 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 493 2.929 -27.316 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 493 1.469 -29.160 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 493 1.027 -27.791 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -0.442 -27.753 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -0.685 -29.269 -5.065 1.00 0.00 H new ATOM 1169 N CYS A 494 1.995 -26.714 -7.608 1.00 0.00 N ATOM 1170 CA CYS A 494 1.989 -26.993 -9.035 1.00 0.00 C ATOM 1171 C CYS A 494 3.276 -27.741 -9.382 1.00 0.00 C ATOM 1172 O CYS A 494 3.419 -28.258 -10.489 1.00 0.00 O ATOM 1173 CB CYS A 494 1.832 -25.714 -9.861 1.00 0.00 C ATOM 1174 SG CYS A 494 2.166 -25.910 -11.648 1.00 0.00 S ATOM 0 H CYS A 494 2.090 -25.728 -7.366 1.00 0.00 H new ATOM 0 HA CYS A 494 1.129 -27.615 -9.283 1.00 0.00 H new ATOM 0 HB2 CYS A 494 0.816 -25.339 -9.734 1.00 0.00 H new ATOM 0 HB3 CYS A 494 2.504 -24.955 -9.461 1.00 0.00 H new ATOM 1179 N ALA A 495 4.183 -27.777 -8.416 1.00 0.00 N ATOM 1180 CA ALA A 495 5.454 -28.455 -8.607 1.00 0.00 C ATOM 1181 C ALA A 495 5.200 -29.940 -8.872 1.00 0.00 C ATOM 1182 O ALA A 495 6.093 -30.655 -9.325 1.00 0.00 O ATOM 1183 CB ALA A 495 6.343 -28.223 -7.383 1.00 0.00 C ATOM 0 H ALA A 495 4.063 -27.347 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 495 5.979 -28.052 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 495 7.297 -28.731 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 495 6.516 -27.154 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 495 5.850 -28.618 -6.495 1.00 0.00 H new ATOM 1189 N SER A 496 3.979 -30.362 -8.575 1.00 0.00 N ATOM 1190 CA SER A 496 3.598 -31.748 -8.776 1.00 0.00 C ATOM 1191 C SER A 496 2.617 -31.859 -9.947 1.00 0.00 C ATOM 1192 O SER A 496 1.419 -31.638 -9.779 1.00 0.00 O ATOM 1193 CB SER A 496 2.977 -32.338 -7.507 1.00 0.00 C ATOM 1194 OG SER A 496 3.950 -32.980 -6.687 1.00 0.00 O ATOM 0 H SER A 496 3.242 -29.767 -8.197 1.00 0.00 H new ATOM 0 HA SER A 496 4.497 -32.318 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 496 2.490 -31.545 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 496 2.203 -33.055 -7.781 1.00 0.00 H new ATOM 0 HG SER A 496 3.516 -33.342 -5.887 1.00 0.00 H new ATOM 1200 N SER A 497 3.165 -32.199 -11.104 1.00 0.00 N ATOM 1201 CA SER A 497 2.353 -32.340 -12.301 1.00 0.00 C ATOM 1202 C SER A 497 1.729 -30.994 -12.672 1.00 0.00 C ATOM 1203 O SER A 497 0.643 -30.659 -12.203 1.00 0.00 O ATOM 1204 CB SER A 497 1.262 -33.396 -12.106 1.00 0.00 C ATOM 1205 OG SER A 497 1.758 -34.718 -12.295 1.00 0.00 O ATOM 0 H SER A 497 4.160 -32.381 -11.238 1.00 0.00 H new ATOM 0 HA SER A 497 2.999 -32.670 -13.115 1.00 0.00 H new ATOM 0 HB2 SER A 497 0.845 -33.305 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 497 0.449 -33.210 -12.807 1.00 0.00 H new ATOM 0 HG SER A 497 1.032 -35.362 -12.160 1.00 0.00 H new ATOM 1211 N PRO A 498 2.461 -30.239 -13.535 1.00 0.00 N ATOM 1212 CA PRO A 498 1.990 -28.936 -13.974 1.00 0.00 C ATOM 1213 C PRO A 498 0.864 -29.077 -14.999 1.00 0.00 C ATOM 1214 O PRO A 498 0.072 -28.156 -15.188 1.00 0.00 O ATOM 1215 CB PRO A 498 3.221 -28.243 -14.535 1.00 0.00 C ATOM 1216 CG PRO A 498 4.229 -29.345 -14.814 1.00 0.00 C ATOM 1217 CD PRO A 498 3.751 -30.604 -14.111 1.00 0.00 C ATOM 0 HA PRO A 498 1.553 -28.351 -13.164 1.00 0.00 H new ATOM 0 HB2 PRO A 498 2.980 -27.695 -15.446 1.00 0.00 H new ATOM 0 HB3 PRO A 498 3.620 -27.520 -13.824 1.00 0.00 H new ATOM 0 HG2 PRO A 498 4.319 -29.518 -15.887 1.00 0.00 H new ATOM 0 HG3 PRO A 498 5.217 -29.059 -14.454 1.00 0.00 H new ATOM 0 HD2 PRO A 498 3.652 -31.435 -14.810 1.00 0.00 H new ATOM 0 HD3 PRO A 498 4.454 -30.918 -13.340 1.00 0.00 H new ATOM 1225 N CYS A 499 0.829 -30.240 -15.637 1.00 0.00 N ATOM 1226 CA CYS A 499 -0.186 -30.514 -16.639 1.00 0.00 C ATOM 1227 C CYS A 499 -0.393 -29.248 -17.472 1.00 0.00 C ATOM 1228 O CYS A 499 -1.506 -28.729 -17.555 1.00 0.00 O ATOM 1229 CB CYS A 499 -1.491 -30.999 -16.004 1.00 0.00 C ATOM 1230 SG CYS A 499 -1.379 -31.386 -14.218 1.00 0.00 S ATOM 0 H CYS A 499 1.488 -31.002 -15.478 1.00 0.00 H new ATOM 0 HA CYS A 499 0.149 -31.324 -17.288 1.00 0.00 H new ATOM 0 HB2 CYS A 499 -2.255 -30.235 -16.149 1.00 0.00 H new ATOM 0 HB3 CYS A 499 -1.827 -31.890 -16.534 1.00 0.00 H new ATOM 1235 N LEU A 500 0.695 -28.784 -18.067 1.00 0.00 N ATOM 1236 CA LEU A 500 0.648 -27.589 -18.891 1.00 0.00 C ATOM 1237 C LEU A 500 0.284 -27.976 -20.325 1.00 0.00 C ATOM 1238 O LEU A 500 0.407 -29.140 -20.708 1.00 0.00 O ATOM 1239 CB LEU A 500 1.958 -26.809 -18.779 1.00 0.00 C ATOM 1240 CG LEU A 500 3.007 -27.099 -19.856 1.00 0.00 C ATOM 1241 CD1 LEU A 500 4.164 -26.101 -19.777 1.00 0.00 C ATOM 1242 CD2 LEU A 500 3.491 -28.548 -19.773 1.00 0.00 C ATOM 0 H LEU A 500 1.617 -29.215 -17.995 1.00 0.00 H new ATOM 0 HA LEU A 500 -0.130 -26.913 -18.536 1.00 0.00 H new ATOM 0 HB2 LEU A 500 1.727 -25.744 -18.803 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.400 -27.018 -17.805 1.00 0.00 H new ATOM 0 HG LEU A 500 2.540 -26.972 -20.832 1.00 0.00 H new ATOM 0 HD11 LEU A 500 4.895 -26.329 -20.553 1.00 0.00 H new ATOM 0 HD12 LEU A 500 3.783 -25.090 -19.923 1.00 0.00 H new ATOM 0 HD13 LEU A 500 4.639 -26.172 -18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 500 4.235 -28.728 -20.549 1.00 0.00 H new ATOM 0 HD22 LEU A 500 3.936 -28.727 -18.794 1.00 0.00 H new ATOM 0 HD23 LEU A 500 2.647 -29.222 -19.917 1.00 0.00 H new ATOM 1254 N HIS A 501 -0.156 -26.982 -21.081 1.00 0.00 N ATOM 1255 CA HIS A 501 -0.540 -27.205 -22.465 1.00 0.00 C ATOM 1256 C HIS A 501 -1.828 -28.028 -22.515 1.00 0.00 C ATOM 1257 O HIS A 501 -2.830 -27.586 -23.074 1.00 0.00 O ATOM 1258 CB HIS A 501 0.607 -27.848 -23.248 1.00 0.00 C ATOM 1259 CG HIS A 501 1.831 -26.974 -23.374 1.00 0.00 C ATOM 1260 ND1 HIS A 501 2.131 -25.771 -22.802 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 2.916 -27.313 -24.163 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 3.334 -25.398 -23.219 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 3.822 -26.351 -24.064 1.00 0.00 N flip ATOM 0 H HIS A 501 -0.256 -26.018 -20.761 1.00 0.00 H new ATOM 0 HA HIS A 501 -0.743 -26.250 -22.949 1.00 0.00 H new ATOM 0 HB2 HIS A 501 0.888 -28.781 -22.760 1.00 0.00 H new ATOM 0 HB3 HIS A 501 0.252 -28.105 -24.246 1.00 0.00 H new ATOM 0 HD2 HIS A 501 3.009 -28.209 -24.758 1.00 0.00 H new ATOM 0 HE1 HIS A 501 3.843 -24.489 -22.936 1.00 0.00 H new ATOM 0 HE2 HIS A 501 4.726 -26.327 -24.537 1.00 0.00 H new ATOM 1271 N ASN A 502 -1.759 -29.211 -21.921 1.00 0.00 N ATOM 1272 CA ASN A 502 -2.908 -30.100 -21.891 1.00 0.00 C ATOM 1273 C ASN A 502 -3.801 -29.734 -20.703 1.00 0.00 C ATOM 1274 O ASN A 502 -4.798 -30.405 -20.441 1.00 0.00 O ATOM 1275 CB ASN A 502 -2.472 -31.556 -21.722 1.00 0.00 C ATOM 1276 CG ASN A 502 -1.538 -31.714 -20.520 1.00 0.00 C ATOM 1277 OD1 ASN A 502 -1.937 -31.601 -19.373 1.00 0.00 O ATOM 1278 ND2 ASN A 502 -0.277 -31.981 -20.847 1.00 0.00 N ATOM 0 H ASN A 502 -0.926 -29.574 -21.457 1.00 0.00 H new ATOM 0 HA ASN A 502 -3.444 -29.990 -22.834 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -3.350 -32.189 -21.591 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -1.967 -31.895 -22.626 1.00 0.00 H new ATOM 0 HD21 ASN A 502 0.424 -32.105 -20.117 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -0.011 -32.062 -21.828 1.00 0.00 H new ATOM 1285 N GLY A 503 -3.411 -28.669 -20.018 1.00 0.00 N ATOM 1286 CA GLY A 503 -4.164 -28.204 -18.865 1.00 0.00 C ATOM 1287 C GLY A 503 -3.418 -27.082 -18.140 1.00 0.00 C ATOM 1288 O GLY A 503 -2.319 -26.703 -18.538 1.00 0.00 O ATOM 0 H GLY A 503 -2.584 -28.115 -20.239 1.00 0.00 H new ATOM 0 HA2 GLY A 503 -5.143 -27.847 -19.185 1.00 0.00 H new ATOM 0 HA3 GLY A 503 -4.336 -29.034 -18.179 1.00 0.00 H new ATOM 1292 N ARG A 504 -4.047 -26.582 -17.086 1.00 0.00 N ATOM 1293 CA ARG A 504 -3.458 -25.512 -16.301 1.00 0.00 C ATOM 1294 C ARG A 504 -3.476 -25.871 -14.815 1.00 0.00 C ATOM 1295 O ARG A 504 -4.543 -26.032 -14.225 1.00 0.00 O ATOM 1296 CB ARG A 504 -4.212 -24.196 -16.510 1.00 0.00 C ATOM 1297 CG ARG A 504 -3.238 -23.028 -16.685 1.00 0.00 C ATOM 1298 CD ARG A 504 -3.304 -22.076 -15.490 1.00 0.00 C ATOM 1299 NE ARG A 504 -2.536 -20.844 -15.781 1.00 0.00 N ATOM 1300 CZ ARG A 504 -2.952 -19.872 -16.619 1.00 0.00 C ATOM 1301 NH1 ARG A 504 -4.137 -19.979 -17.258 1.00 0.00 N ATOM 1302 NH2 ARG A 504 -2.184 -18.815 -16.805 1.00 0.00 N ATOM 0 H ARG A 504 -4.959 -26.899 -16.758 1.00 0.00 H new ATOM 0 HA ARG A 504 -2.428 -25.385 -16.635 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -4.852 -24.275 -17.389 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -4.863 -24.006 -15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -2.223 -23.410 -16.795 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -3.476 -22.486 -17.600 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -4.342 -21.824 -15.272 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -2.901 -22.564 -14.603 1.00 0.00 H new ATOM 0 HE ARG A 504 -1.635 -20.722 -15.318 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -4.725 -20.799 -17.109 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -4.444 -19.240 -17.890 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -1.290 -18.742 -16.318 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -2.484 -18.071 -17.435 1.00 0.00 H new ATOM 1315 N CYS A 505 -2.283 -25.986 -14.251 1.00 0.00 N ATOM 1316 CA CYS A 505 -2.149 -26.324 -12.844 1.00 0.00 C ATOM 1317 C CYS A 505 -2.605 -25.121 -12.016 1.00 0.00 C ATOM 1318 O CYS A 505 -1.975 -24.065 -12.048 1.00 0.00 O ATOM 1319 CB CYS A 505 -0.719 -26.746 -12.498 1.00 0.00 C ATOM 1320 SG CYS A 505 0.536 -25.425 -12.674 1.00 0.00 S ATOM 0 H CYS A 505 -1.400 -25.851 -14.743 1.00 0.00 H new ATOM 0 HA CYS A 505 -2.778 -27.183 -12.612 1.00 0.00 H new ATOM 0 HB2 CYS A 505 -0.701 -27.110 -11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 505 -0.437 -27.583 -13.137 1.00 0.00 H new ATOM 1325 N LEU A 506 -3.697 -25.321 -11.292 1.00 0.00 N ATOM 1326 CA LEU A 506 -4.246 -24.266 -10.456 1.00 0.00 C ATOM 1327 C LEU A 506 -3.882 -24.538 -8.996 1.00 0.00 C ATOM 1328 O LEU A 506 -4.063 -25.650 -8.503 1.00 0.00 O ATOM 1329 CB LEU A 506 -5.748 -24.117 -10.699 1.00 0.00 C ATOM 1330 CG LEU A 506 -6.210 -22.762 -11.238 1.00 0.00 C ATOM 1331 CD1 LEU A 506 -5.765 -22.568 -12.688 1.00 0.00 C ATOM 1332 CD2 LEU A 506 -7.721 -22.593 -11.074 1.00 0.00 C ATOM 0 H LEU A 506 -4.217 -26.198 -11.267 1.00 0.00 H new ATOM 0 HA LEU A 506 -3.808 -23.303 -10.720 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -6.061 -24.890 -11.401 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -6.268 -24.309 -9.761 1.00 0.00 H new ATOM 0 HG LEU A 506 -5.733 -21.979 -10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -6.106 -21.597 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -4.677 -22.614 -12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -6.194 -23.355 -13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -8.023 -21.621 -11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -8.237 -23.381 -11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -7.982 -22.656 -10.017 1.00 0.00 H new ATOM 1344 N ASP A 507 -3.373 -23.504 -8.344 1.00 0.00 N ATOM 1345 CA ASP A 507 -2.982 -23.616 -6.949 1.00 0.00 C ATOM 1346 C ASP A 507 -4.147 -23.179 -6.060 1.00 0.00 C ATOM 1347 O ASP A 507 -4.293 -21.995 -5.757 1.00 0.00 O ATOM 1348 CB ASP A 507 -1.786 -22.714 -6.637 1.00 0.00 C ATOM 1349 CG ASP A 507 -1.554 -22.438 -5.150 1.00 0.00 C ATOM 1350 OD1 ASP A 507 -1.158 -21.328 -4.762 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -1.805 -23.430 -4.366 1.00 0.00 O ATOM 0 H ASP A 507 -3.222 -22.583 -8.756 1.00 0.00 H new ATOM 0 HA ASP A 507 -2.710 -24.654 -6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 507 -0.887 -23.172 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 507 -1.924 -21.762 -7.150 1.00 0.00 H new ATOM 1357 N LYS A 508 -4.950 -24.157 -5.666 1.00 0.00 N ATOM 1358 CA LYS A 508 -6.098 -23.888 -4.818 1.00 0.00 C ATOM 1359 C LYS A 508 -5.725 -24.164 -3.359 1.00 0.00 C ATOM 1360 O LYS A 508 -4.702 -24.789 -3.084 1.00 0.00 O ATOM 1361 CB LYS A 508 -7.317 -24.678 -5.300 1.00 0.00 C ATOM 1362 CG LYS A 508 -7.428 -24.637 -6.826 1.00 0.00 C ATOM 1363 CD LYS A 508 -8.435 -25.673 -7.330 1.00 0.00 C ATOM 1364 CE LYS A 508 -9.665 -24.994 -7.934 1.00 0.00 C ATOM 1365 NZ LYS A 508 -10.342 -25.901 -8.887 1.00 0.00 N ATOM 0 H LYS A 508 -4.828 -25.138 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 508 -6.381 -22.837 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -7.240 -25.712 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -8.222 -24.265 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -7.735 -23.641 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -6.451 -24.828 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -7.963 -26.310 -8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -8.740 -26.320 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -10.356 -24.708 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -9.368 -24.077 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -11.212 -25.451 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -9.709 -26.099 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -10.582 -26.792 -8.407 1.00 0.00 H new ATOM 1378 N ILE A 509 -6.574 -23.681 -2.465 1.00 0.00 N ATOM 1379 CA ILE A 509 -6.347 -23.866 -1.041 1.00 0.00 C ATOM 1380 C ILE A 509 -6.239 -25.362 -0.737 1.00 0.00 C ATOM 1381 O ILE A 509 -5.180 -25.843 -0.338 1.00 0.00 O ATOM 1382 CB ILE A 509 -7.426 -23.150 -0.228 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.748 -21.781 -0.831 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -7.026 -23.047 1.244 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -9.119 -21.790 -1.513 1.00 0.00 C ATOM 0 H ILE A 509 -7.420 -23.162 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 509 -5.403 -23.410 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 509 -8.338 -23.745 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.732 -21.022 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -6.980 -21.509 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -7.811 -22.534 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -6.886 -24.047 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -6.095 -22.487 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.323 -20.805 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -9.124 -22.533 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -9.888 -22.039 -0.781 1.00 0.00 H new ATOM 1397 N ASN A 510 -7.351 -26.055 -0.937 1.00 0.00 N ATOM 1398 CA ASN A 510 -7.394 -27.487 -0.688 1.00 0.00 C ATOM 1399 C ASN A 510 -6.180 -28.150 -1.341 1.00 0.00 C ATOM 1400 O ASN A 510 -5.283 -28.629 -0.650 1.00 0.00 O ATOM 1401 CB ASN A 510 -8.655 -28.111 -1.290 1.00 0.00 C ATOM 1402 CG ASN A 510 -9.245 -29.168 -0.353 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -8.649 -29.555 0.639 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -10.443 -29.610 -0.721 1.00 0.00 N ATOM 0 H ASN A 510 -8.228 -25.653 -1.268 1.00 0.00 H new ATOM 0 HA ASN A 510 -7.393 -27.643 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -9.395 -27.333 -1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -8.417 -28.565 -2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -10.920 -30.316 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -10.885 -29.243 -1.564 1.00 0.00 H new ATOM 1411 N GLU A 511 -6.191 -28.158 -2.666 1.00 0.00 N ATOM 1412 CA GLU A 511 -5.102 -28.756 -3.420 1.00 0.00 C ATOM 1413 C GLU A 511 -4.986 -28.098 -4.796 1.00 0.00 C ATOM 1414 O GLU A 511 -5.478 -26.989 -5.003 1.00 0.00 O ATOM 1415 CB GLU A 511 -5.289 -30.268 -3.549 1.00 0.00 C ATOM 1416 CG GLU A 511 -4.080 -31.021 -2.991 1.00 0.00 C ATOM 1417 CD GLU A 511 -3.676 -32.171 -3.916 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -4.342 -32.414 -4.931 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -2.625 -32.821 -3.547 1.00 0.00 O ATOM 0 H GLU A 511 -6.937 -27.760 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 511 -4.173 -28.584 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -6.189 -30.573 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -5.434 -30.532 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -3.242 -30.334 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -4.315 -31.411 -2.001 1.00 0.00 H new ATOM 1427 N PHE A 512 -4.333 -28.809 -5.704 1.00 0.00 N ATOM 1428 CA PHE A 512 -4.145 -28.309 -7.055 1.00 0.00 C ATOM 1429 C PHE A 512 -5.079 -29.019 -8.037 1.00 0.00 C ATOM 1430 O PHE A 512 -5.354 -30.208 -7.888 1.00 0.00 O ATOM 1431 CB PHE A 512 -2.696 -28.602 -7.444 1.00 0.00 C ATOM 1432 CG PHE A 512 -2.516 -29.896 -8.241 1.00 0.00 C ATOM 1433 CD1 PHE A 512 -2.961 -31.077 -7.731 1.00 0.00 C ATOM 1434 CD2 PHE A 512 -1.909 -29.866 -9.458 1.00 0.00 C ATOM 1435 CE1 PHE A 512 -2.793 -32.277 -8.469 1.00 0.00 C ATOM 1436 CE2 PHE A 512 -1.741 -31.068 -10.197 1.00 0.00 C ATOM 1437 CZ PHE A 512 -2.187 -32.248 -9.687 1.00 0.00 C ATOM 0 H PHE A 512 -3.927 -29.728 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 512 -4.367 -27.242 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 512 -2.313 -27.768 -8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 512 -2.091 -28.658 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 512 -3.442 -31.101 -6.764 1.00 0.00 H new ATOM 0 HD2 PHE A 512 -1.555 -28.929 -9.862 1.00 0.00 H new ATOM 0 HE1 PHE A 512 -3.146 -33.214 -8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 512 -1.259 -31.045 -11.163 1.00 0.00 H new ATOM 0 HZ PHE A 512 -2.060 -33.162 -10.249 1.00 0.00 H new ATOM 1447 N GLN A 513 -5.540 -28.260 -9.021 1.00 0.00 N ATOM 1448 CA GLN A 513 -6.437 -28.802 -10.028 1.00 0.00 C ATOM 1449 C GLN A 513 -6.001 -28.354 -11.423 1.00 0.00 C ATOM 1450 O GLN A 513 -6.001 -27.161 -11.724 1.00 0.00 O ATOM 1451 CB GLN A 513 -7.886 -28.396 -9.748 1.00 0.00 C ATOM 1452 CG GLN A 513 -8.859 -29.480 -10.214 1.00 0.00 C ATOM 1453 CD GLN A 513 -10.003 -28.876 -11.031 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -10.981 -28.376 -10.503 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -9.824 -28.954 -12.347 1.00 0.00 N ATOM 0 H GLN A 513 -5.309 -27.274 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 513 -6.385 -29.890 -9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -8.018 -28.218 -8.681 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -8.110 -27.458 -10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -8.327 -30.217 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -9.263 -30.007 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -8.980 -29.386 -12.722 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -10.531 -28.581 -12.981 1.00 0.00 H new ATOM 1464 N CYS A 514 -5.640 -29.334 -12.239 1.00 0.00 N ATOM 1465 CA CYS A 514 -5.202 -29.054 -13.596 1.00 0.00 C ATOM 1466 C CYS A 514 -6.444 -28.908 -14.480 1.00 0.00 C ATOM 1467 O CYS A 514 -7.008 -29.901 -14.933 1.00 0.00 O ATOM 1468 CB CYS A 514 -4.254 -30.135 -14.119 1.00 0.00 C ATOM 1469 SG CYS A 514 -2.676 -30.278 -13.205 1.00 0.00 S ATOM 0 H CYS A 514 -5.642 -30.322 -11.987 1.00 0.00 H new ATOM 0 HA CYS A 514 -4.632 -28.125 -13.613 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -4.767 -31.096 -14.084 1.00 0.00 H new ATOM 0 HB3 CYS A 514 -4.034 -29.930 -15.167 1.00 0.00 H new ATOM 1474 N GLU A 515 -6.831 -27.660 -14.699 1.00 0.00 N ATOM 1475 CA GLU A 515 -7.993 -27.370 -15.521 1.00 0.00 C ATOM 1476 C GLU A 515 -7.730 -27.770 -16.974 1.00 0.00 C ATOM 1477 O GLU A 515 -6.676 -28.322 -17.288 1.00 0.00 O ATOM 1478 CB GLU A 515 -8.382 -25.894 -15.420 1.00 0.00 C ATOM 1479 CG GLU A 515 -7.210 -24.991 -15.808 1.00 0.00 C ATOM 1480 CD GLU A 515 -7.707 -23.648 -16.348 1.00 0.00 C ATOM 1481 OE1 GLU A 515 -7.217 -22.590 -15.927 1.00 0.00 O ATOM 1482 OE2 GLU A 515 -8.636 -23.730 -17.239 1.00 0.00 O ATOM 0 H GLU A 515 -6.360 -26.838 -14.321 1.00 0.00 H new ATOM 0 HA GLU A 515 -8.832 -27.959 -15.149 1.00 0.00 H new ATOM 0 HB2 GLU A 515 -9.232 -25.693 -16.072 1.00 0.00 H new ATOM 0 HB3 GLU A 515 -8.700 -25.667 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 515 -6.572 -24.824 -14.940 1.00 0.00 H new ATOM 0 HG3 GLU A 515 -6.599 -25.487 -16.562 1.00 0.00 H new ATOM 1490 N CYS A 516 -8.704 -27.475 -17.822 1.00 0.00 N ATOM 1491 CA CYS A 516 -8.591 -27.796 -19.234 1.00 0.00 C ATOM 1492 C CYS A 516 -8.169 -26.530 -19.983 1.00 0.00 C ATOM 1493 O CYS A 516 -8.610 -25.432 -19.648 1.00 0.00 O ATOM 1494 CB CYS A 516 -9.891 -28.381 -19.788 1.00 0.00 C ATOM 1495 SG CYS A 516 -10.148 -28.120 -21.581 1.00 0.00 S ATOM 0 H CYS A 516 -9.576 -27.017 -17.558 1.00 0.00 H new ATOM 0 HA CYS A 516 -7.835 -28.568 -19.374 1.00 0.00 H new ATOM 0 HB2 CYS A 516 -9.906 -29.452 -19.585 1.00 0.00 H new ATOM 0 HB3 CYS A 516 -10.730 -27.942 -19.247 1.00 0.00 H new ATOM 0 HG CYS A 516 -11.276 -28.657 -21.940 1.00 0.00 H new ATOM 1500 N PRO A 517 -7.299 -26.732 -21.007 1.00 0.00 N ATOM 1501 CA PRO A 517 -6.813 -25.620 -21.807 1.00 0.00 C ATOM 1502 C PRO A 517 -7.891 -25.127 -22.774 1.00 0.00 C ATOM 1503 O PRO A 517 -8.201 -25.798 -23.757 1.00 0.00 O ATOM 1504 CB PRO A 517 -5.578 -26.153 -22.515 1.00 0.00 C ATOM 1505 CG PRO A 517 -5.684 -27.669 -22.451 1.00 0.00 C ATOM 1506 CD PRO A 517 -6.755 -28.018 -21.431 1.00 0.00 C ATOM 0 HA PRO A 517 -6.564 -24.747 -21.204 1.00 0.00 H new ATOM 0 HB2 PRO A 517 -5.540 -25.807 -23.548 1.00 0.00 H new ATOM 0 HB3 PRO A 517 -4.667 -25.804 -22.028 1.00 0.00 H new ATOM 0 HG2 PRO A 517 -5.941 -28.075 -23.429 1.00 0.00 H new ATOM 0 HG3 PRO A 517 -4.728 -28.107 -22.165 1.00 0.00 H new ATOM 0 HD2 PRO A 517 -7.528 -28.649 -21.869 1.00 0.00 H new ATOM 0 HD3 PRO A 517 -6.335 -28.567 -20.588 1.00 0.00 H new