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 490 ASN : amide:sc= -1.1 K(o=-0.9,f=-7.3!) USER MOD Set 1.2: A 510 ASN : amide:sc= 0.199 K(o=-0.9,f=-7.6!) USER MOD Set 2.1: A 470 GLN : amide:sc= -0.244 K(o=-1,f=-2.7) USER MOD Set 2.2: A 475 GLN :FLIP amide:sc= -0.794 F(o=-3.8!,f=-1) USER MOD Set 3.1: A 462 GLN : amide:sc= -5.72! C(o=-7.5!,f=-11!) USER MOD Set 3.2: A 463 ASN : amide:sc= -1.74 X(o=-7.5,f=-7.1) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -3.2! C(o=-3.2!,f=-5.7!) USER MOD Single : A 425 HIS : no HE2:sc= -7.86! C(o=-7.9!,f=-7.9!) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -2.87! C(o=-2.9!,f=-11!) USER MOD Single : A 432 THR OG1 : rot -179:sc= -7.02! USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.08) USER MOD Single : A 442 GLN :FLIP amide:sc= -0.219 F(o=-0.9,f=-0.22) USER MOD Single : A 444 TYR OH : rot 180:sc= -7.01! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.384! USER MOD Single : A 454 ASN : amide:sc= -4.74 K(o=-4.7,f=-14!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 459 ASN :FLIP amide:sc= -2.84! C(o=-4.6!,f=-2.8!) 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 : no HD1:sc= -8.72! C(o=-8.7!,f=-8.6!) USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.0181 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= -3.76! C(o=-5.4!,f=-3.8!) USER MOD Single : A 502 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.11) USER MOD Single : A 508 LYS NZ :NH3+ -136:sc= -1.1 (180deg=-3.93!) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 CYS SG : rot 180:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 0.700 35.183 8.434 1.00 0.00 N ATOM 19 CA ASP A 412 -0.397 34.603 9.191 1.00 0.00 C ATOM 20 C ASP A 412 0.169 33.733 10.315 1.00 0.00 C ATOM 21 O ASP A 412 1.385 33.630 10.473 1.00 0.00 O ATOM 22 CB ASP A 412 -1.272 33.716 8.303 1.00 0.00 C ATOM 23 CG ASP A 412 -2.695 33.492 8.815 1.00 0.00 C ATOM 24 OD1 ASP A 412 -3.414 34.447 9.143 1.00 0.00 O ATOM 25 OD2 ASP A 412 -3.066 32.257 8.873 1.00 0.00 O ATOM 0 HA ASP A 412 -0.999 35.419 9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 412 -1.325 34.162 7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 412 -0.785 32.747 8.191 1.00 0.00 H new ATOM 31 N VAL A 413 -0.739 33.131 11.069 1.00 0.00 N ATOM 32 CA VAL A 413 -0.345 32.273 12.173 1.00 0.00 C ATOM 33 C VAL A 413 -0.205 30.834 11.672 1.00 0.00 C ATOM 34 O VAL A 413 -0.819 30.458 10.675 1.00 0.00 O ATOM 35 CB VAL A 413 -1.345 32.410 13.323 1.00 0.00 C ATOM 36 CG1 VAL A 413 -2.486 31.401 13.181 1.00 0.00 C ATOM 37 CG2 VAL A 413 -0.647 32.262 14.677 1.00 0.00 C ATOM 0 H VAL A 413 -1.746 33.221 10.937 1.00 0.00 H new ATOM 0 HA VAL A 413 0.626 32.576 12.564 1.00 0.00 H new ATOM 0 HB VAL A 413 -1.775 33.410 13.275 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -3.182 31.520 14.011 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -3.010 31.574 12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -2.080 30.389 13.190 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -1.380 32.363 15.477 1.00 0.00 H new ATOM 0 HG22 VAL A 413 -0.176 31.281 14.738 1.00 0.00 H new ATOM 0 HG23 VAL A 413 0.113 33.036 14.781 1.00 0.00 H new ATOM 47 N ASP A 414 0.608 30.068 12.387 1.00 0.00 N ATOM 48 CA ASP A 414 0.837 28.680 12.027 1.00 0.00 C ATOM 49 C ASP A 414 -0.224 27.803 12.696 1.00 0.00 C ATOM 50 O ASP A 414 0.053 27.141 13.695 1.00 0.00 O ATOM 51 CB ASP A 414 2.211 28.207 12.504 1.00 0.00 C ATOM 52 CG ASP A 414 2.688 26.887 11.896 1.00 0.00 C ATOM 53 OD1 ASP A 414 3.896 26.658 11.735 1.00 0.00 O ATOM 54 OD2 ASP A 414 1.748 26.064 11.575 1.00 0.00 O ATOM 0 H ASP A 414 1.116 30.384 13.214 1.00 0.00 H new ATOM 0 HA ASP A 414 0.785 28.600 10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 414 2.944 28.981 12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 414 2.186 28.102 13.589 1.00 0.00 H new ATOM 60 N GLU A 415 -1.416 27.826 12.119 1.00 0.00 N ATOM 61 CA GLU A 415 -2.519 27.042 12.646 1.00 0.00 C ATOM 62 C GLU A 415 -2.149 25.557 12.672 1.00 0.00 C ATOM 63 O GLU A 415 -2.810 24.760 13.336 1.00 0.00 O ATOM 64 CB GLU A 415 -3.796 27.275 11.836 1.00 0.00 C ATOM 65 CG GLU A 415 -4.269 28.724 11.965 1.00 0.00 C ATOM 66 CD GLU A 415 -4.175 29.453 10.624 1.00 0.00 C ATOM 67 OE1 GLU A 415 -3.892 30.660 10.594 1.00 0.00 O ATOM 68 OE2 GLU A 415 -4.404 28.722 9.588 1.00 0.00 O ATOM 0 H GLU A 415 -1.642 28.376 11.290 1.00 0.00 H new ATOM 0 HA GLU A 415 -2.714 27.367 13.668 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -3.614 27.040 10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -4.579 26.601 12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -5.299 28.744 12.322 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -3.664 29.243 12.708 1.00 0.00 H new ATOM 76 N CYS A 416 -1.094 25.229 11.940 1.00 0.00 N ATOM 77 CA CYS A 416 -0.629 23.854 11.871 1.00 0.00 C ATOM 78 C CYS A 416 0.215 23.570 13.115 1.00 0.00 C ATOM 79 O CYS A 416 0.432 22.413 13.471 1.00 0.00 O ATOM 80 CB CYS A 416 0.147 23.585 10.580 1.00 0.00 C ATOM 81 SG CYS A 416 -0.704 22.491 9.386 1.00 0.00 S ATOM 0 H CYS A 416 -0.548 25.892 11.390 1.00 0.00 H new ATOM 0 HA CYS A 416 -1.484 23.178 11.851 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.356 24.538 10.093 1.00 0.00 H new ATOM 0 HB3 CYS A 416 1.109 23.141 10.837 1.00 0.00 H new ATOM 86 N SER A 417 0.669 24.646 13.741 1.00 0.00 N ATOM 87 CA SER A 417 1.485 24.525 14.938 1.00 0.00 C ATOM 88 C SER A 417 0.651 24.862 16.175 1.00 0.00 C ATOM 89 O SER A 417 1.003 24.476 17.289 1.00 0.00 O ATOM 90 CB SER A 417 2.713 25.436 14.861 1.00 0.00 C ATOM 91 OG SER A 417 3.773 24.973 15.692 1.00 0.00 O ATOM 0 H SER A 417 0.488 25.604 13.443 1.00 0.00 H new ATOM 0 HA SER A 417 1.834 23.495 15.012 1.00 0.00 H new ATOM 0 HB2 SER A 417 3.059 25.492 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 417 2.434 26.447 15.159 1.00 0.00 H new ATOM 0 HG SER A 417 4.539 25.580 15.614 1.00 0.00 H new ATOM 97 N LEU A 418 -0.439 25.576 15.939 1.00 0.00 N ATOM 98 CA LEU A 418 -1.326 25.969 17.021 1.00 0.00 C ATOM 99 C LEU A 418 -2.030 24.727 17.573 1.00 0.00 C ATOM 100 O LEU A 418 -1.611 24.174 18.590 1.00 0.00 O ATOM 101 CB LEU A 418 -2.288 27.064 16.555 1.00 0.00 C ATOM 102 CG LEU A 418 -1.700 28.474 16.453 1.00 0.00 C ATOM 103 CD1 LEU A 418 -2.224 29.197 15.212 1.00 0.00 C ATOM 104 CD2 LEU A 418 -1.960 29.270 17.733 1.00 0.00 C ATOM 0 H LEU A 418 -0.729 25.893 15.014 1.00 0.00 H new ATOM 0 HA LEU A 418 -0.756 26.405 17.841 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -2.680 26.784 15.577 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -3.134 27.093 17.242 1.00 0.00 H new ATOM 0 HG LEU A 418 -0.619 28.387 16.342 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -1.791 30.196 15.163 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -1.945 28.637 14.320 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -3.310 29.274 15.267 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -1.532 30.268 17.634 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -3.034 29.351 17.899 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -1.499 28.760 18.579 1.00 0.00 H new ATOM 116 N GLY A 419 -3.085 24.326 16.880 1.00 0.00 N ATOM 117 CA GLY A 419 -3.850 23.161 17.289 1.00 0.00 C ATOM 118 C GLY A 419 -4.682 22.616 16.127 1.00 0.00 C ATOM 119 O GLY A 419 -5.704 21.967 16.340 1.00 0.00 O ATOM 0 H GLY A 419 -3.428 24.787 16.038 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -3.174 22.387 17.652 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -4.506 23.425 18.118 1.00 0.00 H new ATOM 123 N ALA A 420 -4.211 22.898 14.920 1.00 0.00 N ATOM 124 CA ALA A 420 -4.897 22.444 13.723 1.00 0.00 C ATOM 125 C ALA A 420 -3.921 21.657 12.847 1.00 0.00 C ATOM 126 O ALA A 420 -3.419 22.175 11.851 1.00 0.00 O ATOM 127 CB ALA A 420 -5.497 23.646 12.992 1.00 0.00 C ATOM 0 H ALA A 420 -3.362 23.436 14.746 1.00 0.00 H new ATOM 0 HA ALA A 420 -5.718 21.776 13.982 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -6.012 23.306 12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -6.206 24.153 13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -4.701 24.337 12.714 1.00 0.00 H new ATOM 133 N ASN A 421 -3.680 20.419 13.251 1.00 0.00 N ATOM 134 CA ASN A 421 -2.773 19.554 12.516 1.00 0.00 C ATOM 135 C ASN A 421 -3.551 18.361 11.958 1.00 0.00 C ATOM 136 O ASN A 421 -3.923 17.455 12.703 1.00 0.00 O ATOM 137 CB ASN A 421 -1.667 19.014 13.427 1.00 0.00 C ATOM 138 CG ASN A 421 -0.387 18.746 12.634 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.458 19.609 12.461 1.00 0.00 O ATOM 140 ND2 ASN A 421 -0.291 17.505 12.164 1.00 0.00 N ATOM 0 H ASN A 421 -4.097 19.994 14.079 1.00 0.00 H new ATOM 0 HA ASN A 421 -2.325 20.140 11.713 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -1.463 19.731 14.222 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -2.002 18.094 13.906 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.527 17.227 11.622 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -1.035 16.832 12.346 1.00 0.00 H new ATOM 147 N PRO A 422 -3.779 18.400 10.619 1.00 0.00 N ATOM 148 CA PRO A 422 -4.507 17.332 9.952 1.00 0.00 C ATOM 149 C PRO A 422 -3.634 16.085 9.803 1.00 0.00 C ATOM 150 O PRO A 422 -4.111 14.964 9.978 1.00 0.00 O ATOM 151 CB PRO A 422 -4.935 17.921 8.618 1.00 0.00 C ATOM 152 CG PRO A 422 -4.040 19.130 8.390 1.00 0.00 C ATOM 153 CD PRO A 422 -3.354 19.456 9.705 1.00 0.00 C ATOM 0 HA PRO A 422 -5.375 16.995 10.520 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.820 17.193 7.815 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.986 18.211 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.302 18.918 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.628 19.981 8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -2.270 19.470 9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.649 20.439 10.072 1.00 0.00 H new ATOM 161 N CYS A 423 -2.370 16.320 9.480 1.00 0.00 N ATOM 162 CA CYS A 423 -1.428 15.229 9.304 1.00 0.00 C ATOM 163 C CYS A 423 -1.517 14.315 10.528 1.00 0.00 C ATOM 164 O CYS A 423 -1.084 13.165 10.482 1.00 0.00 O ATOM 165 CB CYS A 423 -0.003 15.744 9.078 1.00 0.00 C ATOM 166 SG CYS A 423 0.251 16.629 7.497 1.00 0.00 S ATOM 0 H CYS A 423 -1.977 17.250 9.336 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.686 14.662 8.409 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.262 16.411 9.898 1.00 0.00 H new ATOM 0 HB3 CYS A 423 0.685 14.899 9.120 1.00 0.00 H new ATOM 171 N GLU A 424 -2.081 14.862 11.595 1.00 0.00 N ATOM 172 CA GLU A 424 -2.231 14.111 12.830 1.00 0.00 C ATOM 173 C GLU A 424 -0.900 14.047 13.579 1.00 0.00 C ATOM 174 O GLU A 424 -0.710 14.744 14.574 1.00 0.00 O ATOM 175 CB GLU A 424 -2.773 12.706 12.554 1.00 0.00 C ATOM 176 CG GLU A 424 -4.003 12.762 11.644 1.00 0.00 C ATOM 177 CD GLU A 424 -4.993 11.649 11.991 1.00 0.00 C ATOM 178 OE1 GLU A 424 -5.039 10.621 11.300 1.00 0.00 O ATOM 179 OE2 GLU A 424 -5.733 11.880 13.022 1.00 0.00 O ATOM 0 H GLU A 424 -2.440 15.816 11.630 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.955 14.628 13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.998 12.098 12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -3.034 12.222 13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.491 13.732 11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.694 12.667 10.603 1.00 0.00 H new ATOM 187 N HIS A 425 -0.012 13.205 13.072 1.00 0.00 N ATOM 188 CA HIS A 425 1.297 13.042 13.682 1.00 0.00 C ATOM 189 C HIS A 425 2.350 12.841 12.590 1.00 0.00 C ATOM 190 O HIS A 425 3.430 13.425 12.650 1.00 0.00 O ATOM 191 CB HIS A 425 1.282 11.905 14.706 1.00 0.00 C ATOM 192 CG HIS A 425 1.027 10.543 14.108 1.00 0.00 C ATOM 193 ND1 HIS A 425 1.804 9.437 14.403 1.00 0.00 N ATOM 194 CD2 HIS A 425 0.073 10.119 13.228 1.00 0.00 C ATOM 195 CE1 HIS A 425 1.332 8.399 13.728 1.00 0.00 C ATOM 196 NE2 HIS A 425 0.260 8.825 12.999 1.00 0.00 N ATOM 0 H HIS A 425 -0.173 12.628 12.246 1.00 0.00 H new ATOM 0 HA HIS A 425 1.561 13.945 14.232 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.239 11.888 15.228 1.00 0.00 H new ATOM 0 HB3 HIS A 425 0.515 12.112 15.452 1.00 0.00 H new ATOM 0 HD1 HIS A 425 2.605 9.423 15.034 1.00 0.00 H new ATOM 0 HD2 HIS A 425 -0.702 10.732 12.792 1.00 0.00 H new ATOM 0 HE1 HIS A 425 1.726 7.394 13.751 1.00 0.00 H new ATOM 204 N ALA A 426 1.998 12.012 11.617 1.00 0.00 N ATOM 205 CA ALA A 426 2.899 11.727 10.514 1.00 0.00 C ATOM 206 C ALA A 426 2.526 12.604 9.318 1.00 0.00 C ATOM 207 O ALA A 426 1.500 12.382 8.676 1.00 0.00 O ATOM 208 CB ALA A 426 2.844 10.235 10.183 1.00 0.00 C ATOM 0 H ALA A 426 1.101 11.529 11.570 1.00 0.00 H new ATOM 0 HA ALA A 426 3.928 11.962 10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.520 10.021 9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.146 9.657 11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.827 9.962 9.901 1.00 0.00 H new ATOM 214 N GLY A 427 3.380 13.584 9.054 1.00 0.00 N ATOM 215 CA GLY A 427 3.152 14.496 7.946 1.00 0.00 C ATOM 216 C GLY A 427 3.833 15.843 8.196 1.00 0.00 C ATOM 217 O GLY A 427 4.311 16.106 9.299 1.00 0.00 O ATOM 0 H GLY A 427 4.230 13.765 9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.534 14.057 7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.081 14.646 7.808 1.00 0.00 H new ATOM 221 N LYS A 428 3.857 16.661 7.154 1.00 0.00 N ATOM 222 CA LYS A 428 4.472 17.974 7.247 1.00 0.00 C ATOM 223 C LYS A 428 3.379 19.037 7.359 1.00 0.00 C ATOM 224 O LYS A 428 2.528 19.153 6.478 1.00 0.00 O ATOM 225 CB LYS A 428 5.432 18.199 6.078 1.00 0.00 C ATOM 226 CG LYS A 428 6.432 19.313 6.396 1.00 0.00 C ATOM 227 CD LYS A 428 7.837 18.745 6.607 1.00 0.00 C ATOM 228 CE LYS A 428 8.742 19.064 5.415 1.00 0.00 C ATOM 229 NZ LYS A 428 9.533 17.873 5.033 1.00 0.00 N ATOM 0 H LYS A 428 3.460 16.440 6.241 1.00 0.00 H new ATOM 0 HA LYS A 428 5.081 18.047 8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.968 17.275 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 428 4.866 18.458 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 428 6.447 20.037 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 428 6.114 19.848 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 428 8.268 19.161 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.780 17.665 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 428 8.138 19.393 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 428 9.411 19.887 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.142 18.106 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 10.124 17.576 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 8.890 17.099 4.771 1.00 0.00 H new ATOM 242 N CYS A 429 3.435 19.787 8.450 1.00 0.00 N ATOM 243 CA CYS A 429 2.460 20.838 8.688 1.00 0.00 C ATOM 244 C CYS A 429 3.172 22.186 8.580 1.00 0.00 C ATOM 245 O CYS A 429 4.050 22.497 9.384 1.00 0.00 O ATOM 246 CB CYS A 429 1.763 20.666 10.040 1.00 0.00 C ATOM 247 SG CYS A 429 -0.065 20.754 9.977 1.00 0.00 S ATOM 0 H CYS A 429 4.141 19.688 9.179 1.00 0.00 H new ATOM 0 HA CYS A 429 1.672 20.784 7.937 1.00 0.00 H new ATOM 0 HB2 CYS A 429 2.052 19.704 10.462 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.127 21.435 10.721 1.00 0.00 H new ATOM 252 N ILE A 430 2.766 22.956 7.580 1.00 0.00 N ATOM 253 CA ILE A 430 3.353 24.265 7.355 1.00 0.00 C ATOM 254 C ILE A 430 2.300 25.344 7.616 1.00 0.00 C ATOM 255 O ILE A 430 1.121 25.037 7.785 1.00 0.00 O ATOM 256 CB ILE A 430 3.979 24.341 5.961 1.00 0.00 C ATOM 257 CG1 ILE A 430 3.670 23.080 5.154 1.00 0.00 C ATOM 258 CG2 ILE A 430 5.481 24.613 6.050 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.357 21.855 5.764 1.00 0.00 C ATOM 0 H ILE A 430 2.036 22.697 6.916 1.00 0.00 H new ATOM 0 HA ILE A 430 4.170 24.440 8.055 1.00 0.00 H new ATOM 0 HB ILE A 430 3.532 25.181 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 430 2.592 22.919 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.002 23.212 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 430 5.902 24.662 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 430 5.649 25.561 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 430 5.964 23.810 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.120 20.972 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 430 5.436 22.009 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.004 21.711 6.785 1.00 0.00 H new ATOM 271 N ASN A 431 2.763 26.585 7.642 1.00 0.00 N ATOM 272 CA ASN A 431 1.875 27.711 7.879 1.00 0.00 C ATOM 273 C ASN A 431 1.655 28.466 6.566 1.00 0.00 C ATOM 274 O ASN A 431 2.609 28.768 5.851 1.00 0.00 O ATOM 275 CB ASN A 431 2.480 28.686 8.889 1.00 0.00 C ATOM 276 CG ASN A 431 1.751 30.031 8.858 1.00 0.00 C ATOM 277 OD1 ASN A 431 0.681 30.173 8.288 1.00 0.00 O ATOM 278 ND2 ASN A 431 2.387 31.007 9.499 1.00 0.00 N ATOM 0 H ASN A 431 3.742 26.836 7.503 1.00 0.00 H new ATOM 0 HA ASN A 431 0.935 27.323 8.271 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.422 28.260 9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.537 28.836 8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.982 31.942 9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 431 3.280 30.820 9.955 1.00 0.00 H new ATOM 285 N THR A 432 0.390 28.750 6.289 1.00 0.00 N ATOM 286 CA THR A 432 0.033 29.464 5.075 1.00 0.00 C ATOM 287 C THR A 432 -0.734 30.743 5.416 1.00 0.00 C ATOM 288 O THR A 432 -1.138 30.944 6.560 1.00 0.00 O ATOM 289 CB THR A 432 -0.753 28.507 4.177 1.00 0.00 C ATOM 290 OG1 THR A 432 -1.023 27.386 5.016 1.00 0.00 O ATOM 291 CG2 THR A 432 0.102 27.929 3.048 1.00 0.00 C ATOM 0 H THR A 432 -0.399 28.499 6.884 1.00 0.00 H new ATOM 0 HA THR A 432 0.920 29.788 4.531 1.00 0.00 H new ATOM 0 HB THR A 432 -1.610 29.029 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 432 -1.518 26.709 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 432 -0.504 27.257 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 432 0.479 28.740 2.425 1.00 0.00 H new ATOM 0 HG23 THR A 432 0.941 27.378 3.473 1.00 0.00 H new ATOM 299 N LEU A 433 -0.912 31.576 4.401 1.00 0.00 N ATOM 300 CA LEU A 433 -1.622 32.832 4.579 1.00 0.00 C ATOM 301 C LEU A 433 -3.127 32.556 4.643 1.00 0.00 C ATOM 302 O LEU A 433 -3.700 32.000 3.706 1.00 0.00 O ATOM 303 CB LEU A 433 -1.226 33.831 3.490 1.00 0.00 C ATOM 304 CG LEU A 433 -0.189 34.882 3.891 1.00 0.00 C ATOM 305 CD1 LEU A 433 0.334 35.631 2.663 1.00 0.00 C ATOM 306 CD2 LEU A 433 -0.755 35.835 4.945 1.00 0.00 C ATOM 0 H LEU A 433 -0.577 31.406 3.453 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.341 33.298 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -0.839 33.274 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -2.125 34.346 3.153 1.00 0.00 H new ATOM 0 HG LEU A 433 0.661 34.370 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 433 1.070 36.372 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 433 0.800 34.924 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -0.495 36.131 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 433 0.002 36.572 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -1.631 36.344 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -1.040 35.269 5.832 1.00 0.00 H new ATOM 318 N GLY A 434 -3.723 32.958 5.755 1.00 0.00 N ATOM 319 CA GLY A 434 -5.149 32.762 5.954 1.00 0.00 C ATOM 320 C GLY A 434 -5.442 31.350 6.467 1.00 0.00 C ATOM 321 O GLY A 434 -6.244 31.174 7.382 1.00 0.00 O ATOM 0 H GLY A 434 -3.244 33.419 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -5.525 33.497 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -5.677 32.929 5.015 1.00 0.00 H new ATOM 325 N SER A 435 -4.774 30.382 5.857 1.00 0.00 N ATOM 326 CA SER A 435 -4.953 28.992 6.241 1.00 0.00 C ATOM 327 C SER A 435 -3.590 28.315 6.402 1.00 0.00 C ATOM 328 O SER A 435 -2.567 28.869 6.006 1.00 0.00 O ATOM 329 CB SER A 435 -5.801 28.241 5.214 1.00 0.00 C ATOM 330 OG SER A 435 -6.994 28.949 4.885 1.00 0.00 O ATOM 0 H SER A 435 -4.108 30.533 5.099 1.00 0.00 H new ATOM 0 HA SER A 435 -5.480 28.966 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 435 -5.215 28.078 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 435 -6.060 27.258 5.607 1.00 0.00 H new ATOM 0 HG SER A 435 -7.507 28.437 4.225 1.00 0.00 H new ATOM 336 N PHE A 436 -3.623 27.124 6.983 1.00 0.00 N ATOM 337 CA PHE A 436 -2.403 26.365 7.202 1.00 0.00 C ATOM 338 C PHE A 436 -2.250 25.262 6.153 1.00 0.00 C ATOM 339 O PHE A 436 -3.238 24.672 5.717 1.00 0.00 O ATOM 340 CB PHE A 436 -2.517 25.724 8.587 1.00 0.00 C ATOM 341 CG PHE A 436 -3.811 24.937 8.804 1.00 0.00 C ATOM 342 CD1 PHE A 436 -4.936 25.579 9.217 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.836 23.596 8.584 1.00 0.00 C ATOM 344 CE1 PHE A 436 -6.137 24.849 9.417 1.00 0.00 C ATOM 345 CE2 PHE A 436 -5.037 22.865 8.785 1.00 0.00 C ATOM 346 CZ PHE A 436 -6.161 23.508 9.198 1.00 0.00 C ATOM 0 H PHE A 436 -4.475 26.667 7.308 1.00 0.00 H new ATOM 0 HA PHE A 436 -1.537 27.022 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -1.668 25.057 8.738 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -2.447 26.505 9.344 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -4.916 26.644 9.393 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -2.942 23.086 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -7.031 25.359 9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -5.057 21.799 8.610 1.00 0.00 H new ATOM 0 HZ PHE A 436 -7.074 22.953 9.352 1.00 0.00 H new ATOM 356 N GLU A 437 -1.002 25.016 5.777 1.00 0.00 N ATOM 357 CA GLU A 437 -0.707 23.994 4.788 1.00 0.00 C ATOM 358 C GLU A 437 -0.036 22.790 5.453 1.00 0.00 C ATOM 359 O GLU A 437 0.741 22.948 6.393 1.00 0.00 O ATOM 360 CB GLU A 437 0.166 24.556 3.664 1.00 0.00 C ATOM 361 CG GLU A 437 0.830 23.428 2.872 1.00 0.00 C ATOM 362 CD GLU A 437 1.015 23.824 1.404 1.00 0.00 C ATOM 363 OE1 GLU A 437 2.120 24.216 1.002 1.00 0.00 O ATOM 364 OE2 GLU A 437 -0.042 23.712 0.674 1.00 0.00 O ATOM 0 H GLU A 437 -0.185 25.507 6.140 1.00 0.00 H new ATOM 0 HA GLU A 437 -1.646 23.663 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.442 25.166 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.930 25.210 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.798 23.190 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.221 22.527 2.935 1.00 0.00 H new ATOM 372 N CYS A 438 -0.362 21.613 4.938 1.00 0.00 N ATOM 373 CA CYS A 438 0.200 20.383 5.470 1.00 0.00 C ATOM 374 C CYS A 438 0.468 19.432 4.301 1.00 0.00 C ATOM 375 O CYS A 438 -0.432 19.138 3.516 1.00 0.00 O ATOM 376 CB CYS A 438 -0.716 19.751 6.520 1.00 0.00 C ATOM 377 SG CYS A 438 0.046 18.399 7.489 1.00 0.00 S ATOM 0 H CYS A 438 -1.008 21.485 4.159 1.00 0.00 H new ATOM 0 HA CYS A 438 1.137 20.600 5.983 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -1.048 20.529 7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.605 19.365 6.021 1.00 0.00 H new ATOM 382 N GLN A 439 1.711 18.979 4.223 1.00 0.00 N ATOM 383 CA GLN A 439 2.109 18.068 3.163 1.00 0.00 C ATOM 384 C GLN A 439 1.822 16.621 3.572 1.00 0.00 C ATOM 385 O GLN A 439 1.665 16.326 4.755 1.00 0.00 O ATOM 386 CB GLN A 439 3.585 18.255 2.805 1.00 0.00 C ATOM 387 CG GLN A 439 3.997 19.723 2.927 1.00 0.00 C ATOM 388 CD GLN A 439 5.213 20.026 2.048 1.00 0.00 C ATOM 389 OE1 GLN A 439 5.206 19.824 0.845 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.252 20.520 2.715 1.00 0.00 N ATOM 0 H GLN A 439 2.455 19.226 4.876 1.00 0.00 H new ATOM 0 HA GLN A 439 1.522 18.297 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.203 17.644 3.463 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.763 17.907 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.165 20.364 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.229 19.954 3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.189 20.664 3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.112 20.755 2.219 1.00 0.00 H new ATOM 399 N CYS A 440 1.763 15.759 2.568 1.00 0.00 N ATOM 400 CA CYS A 440 1.498 14.349 2.807 1.00 0.00 C ATOM 401 C CYS A 440 2.820 13.664 3.156 1.00 0.00 C ATOM 402 O CYS A 440 3.880 14.287 3.099 1.00 0.00 O ATOM 403 CB CYS A 440 0.812 13.690 1.609 1.00 0.00 C ATOM 404 SG CYS A 440 -1.017 13.754 1.640 1.00 0.00 S ATOM 0 H CYS A 440 1.894 16.009 1.588 1.00 0.00 H new ATOM 0 HA CYS A 440 0.804 14.244 3.641 1.00 0.00 H new ATOM 0 HB2 CYS A 440 1.163 14.173 0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 440 1.124 12.647 1.558 1.00 0.00 H new ATOM 409 N LEU A 441 2.717 12.392 3.509 1.00 0.00 N ATOM 410 CA LEU A 441 3.892 11.616 3.867 1.00 0.00 C ATOM 411 C LEU A 441 3.604 10.130 3.640 1.00 0.00 C ATOM 412 O LEU A 441 2.618 9.600 4.148 1.00 0.00 O ATOM 413 CB LEU A 441 4.338 11.944 5.293 1.00 0.00 C ATOM 414 CG LEU A 441 3.480 11.359 6.415 1.00 0.00 C ATOM 415 CD1 LEU A 441 1.990 11.569 6.135 1.00 0.00 C ATOM 416 CD2 LEU A 441 3.815 9.885 6.651 1.00 0.00 C ATOM 0 H LEU A 441 1.837 11.878 3.555 1.00 0.00 H new ATOM 0 HA LEU A 441 4.733 11.881 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 441 5.361 11.591 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 441 4.359 13.028 5.406 1.00 0.00 H new ATOM 0 HG LEU A 441 3.713 11.894 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 441 1.403 11.143 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 441 1.781 12.636 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 441 1.723 11.078 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 441 3.190 9.494 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.629 9.319 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 441 4.865 9.790 6.929 1.00 0.00 H new ATOM 428 N GLN A 442 4.485 9.500 2.876 1.00 0.00 N ATOM 429 CA GLN A 442 4.339 8.086 2.575 1.00 0.00 C ATOM 430 C GLN A 442 3.107 7.855 1.696 1.00 0.00 C ATOM 431 O GLN A 442 3.167 8.028 0.479 1.00 0.00 O ATOM 432 CB GLN A 442 4.260 7.258 3.858 1.00 0.00 C ATOM 433 CG GLN A 442 5.644 6.759 4.277 1.00 0.00 C ATOM 434 CD GLN A 442 6.023 7.293 5.659 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.484 8.541 5.650 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 5.908 6.616 6.668 1.00 0.00 N flip ATOM 0 H GLN A 442 5.302 9.943 2.457 1.00 0.00 H new ATOM 0 HA GLN A 442 5.221 7.759 2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 442 3.830 7.861 4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.594 6.408 3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.653 5.669 4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 442 6.386 7.076 3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.547 5.664 6.605 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.173 7.002 7.574 1.00 0.00 H new ATOM 445 N GLY A 443 2.020 7.468 2.347 1.00 0.00 N ATOM 446 CA GLY A 443 0.777 7.211 1.640 1.00 0.00 C ATOM 447 C GLY A 443 -0.427 7.687 2.457 1.00 0.00 C ATOM 448 O GLY A 443 -1.190 6.874 2.976 1.00 0.00 O ATOM 0 H GLY A 443 1.974 7.326 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.791 7.720 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 443 0.684 6.144 1.436 1.00 0.00 H new ATOM 452 N TYR A 444 -0.560 9.003 2.543 1.00 0.00 N ATOM 453 CA TYR A 444 -1.657 9.596 3.288 1.00 0.00 C ATOM 454 C TYR A 444 -2.728 10.144 2.341 1.00 0.00 C ATOM 455 O TYR A 444 -2.460 10.380 1.165 1.00 0.00 O ATOM 456 CB TYR A 444 -1.051 10.756 4.080 1.00 0.00 C ATOM 457 CG TYR A 444 -0.733 10.416 5.537 1.00 0.00 C ATOM 458 CD1 TYR A 444 0.120 9.370 5.831 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.296 11.155 6.557 1.00 0.00 C ATOM 460 CE1 TYR A 444 0.419 9.050 7.203 1.00 0.00 C ATOM 461 CE2 TYR A 444 -0.998 10.834 7.929 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.155 9.798 8.184 1.00 0.00 C ATOM 463 OH TYR A 444 0.128 9.495 9.479 1.00 0.00 O ATOM 0 H TYR A 444 0.074 9.674 2.109 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.130 8.854 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.136 11.081 3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.742 11.598 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 444 0.562 8.793 5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.960 11.975 6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 444 1.084 8.235 7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.434 11.403 8.737 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.350 10.112 10.071 1.00 0.00 H new ATOM 473 N THR A 445 -3.918 10.332 2.893 1.00 0.00 N ATOM 474 CA THR A 445 -5.030 10.848 2.114 1.00 0.00 C ATOM 475 C THR A 445 -5.269 12.324 2.436 1.00 0.00 C ATOM 476 O THR A 445 -4.376 13.152 2.266 1.00 0.00 O ATOM 477 CB THR A 445 -6.248 9.962 2.383 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.327 10.657 1.762 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.630 9.928 3.865 1.00 0.00 C ATOM 0 H THR A 445 -4.136 10.136 3.870 1.00 0.00 H new ATOM 0 HA THR A 445 -4.814 10.813 1.046 1.00 0.00 H new ATOM 0 HB THR A 445 -6.044 8.949 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.157 10.151 1.887 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.500 9.286 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 445 -5.795 9.537 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 445 -6.867 10.937 4.203 1.00 0.00 H new ATOM 487 N GLY A 446 -6.478 12.608 2.897 1.00 0.00 N ATOM 488 CA GLY A 446 -6.845 13.970 3.245 1.00 0.00 C ATOM 489 C GLY A 446 -7.282 14.754 2.008 1.00 0.00 C ATOM 490 O GLY A 446 -6.894 14.423 0.889 1.00 0.00 O ATOM 0 H GLY A 446 -7.216 11.918 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.654 13.957 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -5.998 14.469 3.716 1.00 0.00 H new ATOM 494 N PRO A 447 -8.108 15.807 2.255 1.00 0.00 N ATOM 495 CA PRO A 447 -8.603 16.640 1.172 1.00 0.00 C ATOM 496 C PRO A 447 -7.507 17.576 0.656 1.00 0.00 C ATOM 497 O PRO A 447 -7.517 17.963 -0.511 1.00 0.00 O ATOM 498 CB PRO A 447 -9.791 17.385 1.761 1.00 0.00 C ATOM 499 CG PRO A 447 -9.633 17.294 3.271 1.00 0.00 C ATOM 500 CD PRO A 447 -8.589 16.229 3.566 1.00 0.00 C ATOM 0 HA PRO A 447 -8.905 16.061 0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.803 18.424 1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.731 16.938 1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -9.324 18.255 3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.583 17.038 3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.778 16.628 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -9.021 15.393 4.117 1.00 0.00 H new ATOM 508 N ARG A 448 -6.590 17.912 1.551 1.00 0.00 N ATOM 509 CA ARG A 448 -5.490 18.794 1.200 1.00 0.00 C ATOM 510 C ARG A 448 -4.175 18.014 1.164 1.00 0.00 C ATOM 511 O ARG A 448 -3.142 18.550 0.768 1.00 0.00 O ATOM 512 CB ARG A 448 -5.366 19.944 2.202 1.00 0.00 C ATOM 513 CG ARG A 448 -6.653 20.769 2.252 1.00 0.00 C ATOM 514 CD ARG A 448 -6.837 21.579 0.967 1.00 0.00 C ATOM 515 NE ARG A 448 -7.753 22.715 1.211 1.00 0.00 N ATOM 516 CZ ARG A 448 -7.887 23.771 0.380 1.00 0.00 C ATOM 517 NH1 ARG A 448 -7.166 23.841 -0.758 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.735 24.730 0.698 1.00 0.00 N ATOM 0 H ARG A 448 -6.586 17.589 2.519 1.00 0.00 H new ATOM 0 HA ARG A 448 -5.698 19.207 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -5.146 19.546 3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -4.530 20.585 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -7.508 20.108 2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -6.624 21.442 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -5.872 21.948 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -7.238 20.941 0.179 1.00 0.00 H new ATOM 0 HE ARG A 448 -8.318 22.700 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -6.514 23.093 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -7.273 24.642 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -9.277 24.667 1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -8.849 25.535 0.082 1.00 0.00 H new ATOM 531 N CYS A 449 -4.256 16.759 1.582 1.00 0.00 N ATOM 532 CA CYS A 449 -3.085 15.900 1.601 1.00 0.00 C ATOM 533 C CYS A 449 -2.442 15.996 2.987 1.00 0.00 C ATOM 534 O CYS A 449 -1.290 16.406 3.114 1.00 0.00 O ATOM 535 CB CYS A 449 -2.099 16.262 0.490 1.00 0.00 C ATOM 536 SG CYS A 449 -1.173 14.845 -0.208 1.00 0.00 S ATOM 0 H CYS A 449 -5.115 16.317 1.910 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.384 14.870 1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.645 16.753 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -1.385 16.988 0.880 1.00 0.00 H new ATOM 541 N GLU A 450 -3.215 15.609 3.991 1.00 0.00 N ATOM 542 CA GLU A 450 -2.737 15.646 5.362 1.00 0.00 C ATOM 543 C GLU A 450 -3.548 14.685 6.234 1.00 0.00 C ATOM 544 O GLU A 450 -3.638 14.867 7.446 1.00 0.00 O ATOM 545 CB GLU A 450 -2.786 17.069 5.921 1.00 0.00 C ATOM 546 CG GLU A 450 -3.700 17.959 5.077 1.00 0.00 C ATOM 547 CD GLU A 450 -5.137 17.923 5.602 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.672 16.836 5.868 1.00 0.00 O ATOM 549 OE2 GLU A 450 -5.700 19.076 5.729 1.00 0.00 O ATOM 0 H GLU A 450 -4.170 15.268 3.882 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.696 15.323 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -3.144 17.047 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.781 17.490 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -3.329 18.984 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -3.680 17.627 4.039 1.00 0.00 H new ATOM 557 N ILE A 451 -4.118 13.683 5.582 1.00 0.00 N ATOM 558 CA ILE A 451 -4.920 12.693 6.283 1.00 0.00 C ATOM 559 C ILE A 451 -4.364 11.296 5.993 1.00 0.00 C ATOM 560 O ILE A 451 -3.840 11.045 4.909 1.00 0.00 O ATOM 561 CB ILE A 451 -6.399 12.853 5.926 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.869 14.288 6.167 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.255 11.834 6.681 1.00 0.00 C ATOM 564 CD1 ILE A 451 -6.518 14.750 7.584 1.00 0.00 C ATOM 0 H ILE A 451 -4.041 13.535 4.576 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.858 12.844 7.361 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.519 12.651 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -6.406 14.953 5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -7.947 14.352 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.303 11.967 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -6.938 10.825 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -7.135 11.982 7.754 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.863 15.774 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -7.003 14.097 8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.438 14.708 7.723 1.00 0.00 H new ATOM 576 N ASP A 452 -4.500 10.425 6.982 1.00 0.00 N ATOM 577 CA ASP A 452 -4.018 9.060 6.846 1.00 0.00 C ATOM 578 C ASP A 452 -5.194 8.141 6.510 1.00 0.00 C ATOM 579 O ASP A 452 -6.168 8.074 7.258 1.00 0.00 O ATOM 580 CB ASP A 452 -3.389 8.566 8.152 1.00 0.00 C ATOM 581 CG ASP A 452 -3.485 7.059 8.385 1.00 0.00 C ATOM 582 OD1 ASP A 452 -4.548 6.534 8.754 1.00 0.00 O ATOM 583 OD2 ASP A 452 -2.395 6.403 8.168 1.00 0.00 O ATOM 0 H ASP A 452 -4.936 10.637 7.879 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.268 9.043 6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.338 8.854 8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -3.869 9.079 8.986 1.00 0.00 H new ATOM 589 N VAL A 453 -5.063 7.454 5.384 1.00 0.00 N ATOM 590 CA VAL A 453 -6.102 6.541 4.940 1.00 0.00 C ATOM 591 C VAL A 453 -5.714 5.110 5.318 1.00 0.00 C ATOM 592 O VAL A 453 -4.567 4.849 5.679 1.00 0.00 O ATOM 593 CB VAL A 453 -6.345 6.717 3.439 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.026 6.887 2.685 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.154 5.547 2.875 1.00 0.00 C ATOM 0 H VAL A 453 -4.253 7.512 4.766 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.045 6.764 5.438 1.00 0.00 H new ATOM 0 HB VAL A 453 -6.929 7.627 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.228 7.010 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.504 7.768 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -4.404 6.005 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.313 5.696 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -6.608 4.617 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.118 5.493 3.381 1.00 0.00 H new ATOM 605 N ASN A 454 -6.691 4.222 5.223 1.00 0.00 N ATOM 606 CA ASN A 454 -6.467 2.824 5.551 1.00 0.00 C ATOM 607 C ASN A 454 -6.318 2.019 4.259 1.00 0.00 C ATOM 608 O ASN A 454 -7.289 1.823 3.530 1.00 0.00 O ATOM 609 CB ASN A 454 -7.646 2.247 6.336 1.00 0.00 C ATOM 610 CG ASN A 454 -7.359 0.810 6.780 1.00 0.00 C ATOM 611 OD1 ASN A 454 -6.616 0.074 6.149 1.00 0.00 O ATOM 612 ND2 ASN A 454 -7.986 0.453 7.897 1.00 0.00 N ATOM 0 H ASN A 454 -7.641 4.443 4.923 1.00 0.00 H new ATOM 0 HA ASN A 454 -5.564 2.760 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -7.845 2.868 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -8.544 2.268 5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -7.859 -0.486 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -8.594 1.118 8.376 1.00 0.00 H new ATOM 619 N GLU A 455 -5.094 1.573 4.015 1.00 0.00 N ATOM 620 CA GLU A 455 -4.806 0.792 2.824 1.00 0.00 C ATOM 621 C GLU A 455 -5.079 -0.691 3.081 1.00 0.00 C ATOM 622 O GLU A 455 -5.246 -1.466 2.142 1.00 0.00 O ATOM 623 CB GLU A 455 -3.364 1.013 2.361 1.00 0.00 C ATOM 624 CG GLU A 455 -2.421 1.167 3.557 1.00 0.00 C ATOM 625 CD GLU A 455 -2.293 2.635 3.967 1.00 0.00 C ATOM 626 OE1 GLU A 455 -3.281 3.382 3.913 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.114 2.991 4.353 1.00 0.00 O ATOM 0 H GLU A 455 -4.291 1.738 4.622 1.00 0.00 H new ATOM 0 HA GLU A 455 -5.466 1.128 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.043 0.172 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.312 1.904 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -2.795 0.582 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -1.438 0.769 3.304 1.00 0.00 H new ATOM 635 N CYS A 456 -5.115 -1.040 4.359 1.00 0.00 N ATOM 636 CA CYS A 456 -5.365 -2.416 4.752 1.00 0.00 C ATOM 637 C CYS A 456 -6.878 -2.621 4.845 1.00 0.00 C ATOM 638 O CYS A 456 -7.339 -3.664 5.312 1.00 0.00 O ATOM 639 CB CYS A 456 -4.659 -2.769 6.062 1.00 0.00 C ATOM 640 SG CYS A 456 -5.565 -2.283 7.577 1.00 0.00 S ATOM 0 H CYS A 456 -4.975 -0.393 5.135 1.00 0.00 H new ATOM 0 HA CYS A 456 -4.953 -3.091 4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -4.487 -3.845 6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -3.680 -2.290 6.071 1.00 0.00 H new ATOM 645 N VAL A 457 -7.609 -1.611 4.397 1.00 0.00 N ATOM 646 CA VAL A 457 -9.061 -1.669 4.425 1.00 0.00 C ATOM 647 C VAL A 457 -9.551 -2.624 3.333 1.00 0.00 C ATOM 648 O VAL A 457 -10.248 -3.595 3.620 1.00 0.00 O ATOM 649 CB VAL A 457 -9.642 -0.261 4.292 1.00 0.00 C ATOM 650 CG1 VAL A 457 -10.481 -0.131 3.018 1.00 0.00 C ATOM 651 CG2 VAL A 457 -10.463 0.113 5.528 1.00 0.00 C ATOM 0 H VAL A 457 -7.224 -0.748 4.013 1.00 0.00 H new ATOM 0 HA VAL A 457 -9.410 -2.062 5.380 1.00 0.00 H new ATOM 0 HB VAL A 457 -8.809 0.438 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -10.882 0.880 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -9.856 -0.334 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -11.303 -0.846 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.865 1.119 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -11.284 -0.594 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -9.826 0.080 6.412 1.00 0.00 H new ATOM 661 N SER A 458 -9.168 -2.312 2.104 1.00 0.00 N ATOM 662 CA SER A 458 -9.558 -3.129 0.968 1.00 0.00 C ATOM 663 C SER A 458 -8.448 -4.127 0.634 1.00 0.00 C ATOM 664 O SER A 458 -8.540 -4.855 -0.354 1.00 0.00 O ATOM 665 CB SER A 458 -9.876 -2.261 -0.252 1.00 0.00 C ATOM 666 OG SER A 458 -11.276 -2.049 -0.406 1.00 0.00 O ATOM 0 H SER A 458 -8.591 -1.504 1.870 1.00 0.00 H new ATOM 0 HA SER A 458 -10.461 -3.677 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 458 -9.372 -1.299 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 458 -9.481 -2.738 -1.149 1.00 0.00 H new ATOM 0 HG SER A 458 -11.437 -1.489 -1.194 1.00 0.00 H new ATOM 672 N ASN A 459 -7.426 -4.128 1.476 1.00 0.00 N ATOM 673 CA ASN A 459 -6.298 -5.026 1.282 1.00 0.00 C ATOM 674 C ASN A 459 -5.826 -5.545 2.642 1.00 0.00 C ATOM 675 O ASN A 459 -4.638 -5.485 2.955 1.00 0.00 O ATOM 676 CB ASN A 459 -5.125 -4.301 0.620 1.00 0.00 C ATOM 677 CG ASN A 459 -5.620 -3.295 -0.422 1.00 0.00 C ATOM 678 OD1 ASN A 459 -6.348 -2.305 0.087 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -5.359 -3.409 -1.607 1.00 0.00 N flip ATOM 0 H ASN A 459 -7.354 -3.523 2.294 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.624 -5.845 0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.537 -3.785 1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.465 -5.027 0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -4.794 -4.194 -1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -5.705 -2.719 -2.274 1.00 0.00 H new ATOM 686 N PRO A 460 -6.806 -6.054 3.436 1.00 0.00 N ATOM 687 CA PRO A 460 -6.503 -6.582 4.754 1.00 0.00 C ATOM 688 C PRO A 460 -5.825 -7.951 4.654 1.00 0.00 C ATOM 689 O PRO A 460 -5.567 -8.596 5.669 1.00 0.00 O ATOM 690 CB PRO A 460 -7.840 -6.634 5.475 1.00 0.00 C ATOM 691 CG PRO A 460 -8.901 -6.572 4.389 1.00 0.00 C ATOM 692 CD PRO A 460 -8.224 -6.140 3.099 1.00 0.00 C ATOM 0 HA PRO A 460 -5.794 -5.962 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -7.933 -7.549 6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -7.942 -5.800 6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -9.376 -7.545 4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -9.686 -5.867 4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.398 -6.860 2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -8.608 -5.180 2.752 1.00 0.00 H new ATOM 700 N CYS A 461 -5.556 -8.353 3.421 1.00 0.00 N ATOM 701 CA CYS A 461 -4.914 -9.633 3.175 1.00 0.00 C ATOM 702 C CYS A 461 -5.936 -10.742 3.431 1.00 0.00 C ATOM 703 O CYS A 461 -5.567 -11.894 3.651 1.00 0.00 O ATOM 704 CB CYS A 461 -3.656 -9.808 4.029 1.00 0.00 C ATOM 705 SG CYS A 461 -2.082 -9.496 3.152 1.00 0.00 S ATOM 0 H CYS A 461 -5.771 -7.815 2.581 1.00 0.00 H new ATOM 0 HA CYS A 461 -4.580 -9.681 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -3.718 -9.135 4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -3.640 -10.824 4.423 1.00 0.00 H new ATOM 710 N GLN A 462 -7.203 -10.354 3.393 1.00 0.00 N ATOM 711 CA GLN A 462 -8.283 -11.301 3.618 1.00 0.00 C ATOM 712 C GLN A 462 -8.435 -11.585 5.114 1.00 0.00 C ATOM 713 O GLN A 462 -7.785 -10.947 5.941 1.00 0.00 O ATOM 714 CB GLN A 462 -8.049 -12.594 2.835 1.00 0.00 C ATOM 715 CG GLN A 462 -9.260 -12.932 1.963 1.00 0.00 C ATOM 716 CD GLN A 462 -9.181 -14.373 1.451 1.00 0.00 C ATOM 717 OE1 GLN A 462 -9.937 -15.242 1.851 1.00 0.00 O ATOM 718 NE2 GLN A 462 -8.227 -14.574 0.548 1.00 0.00 N ATOM 0 H GLN A 462 -7.506 -9.397 3.210 1.00 0.00 H new ATOM 0 HA GLN A 462 -9.211 -10.859 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -7.163 -12.489 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -7.855 -13.413 3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.176 -12.796 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -9.308 -12.244 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -7.629 -13.801 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -8.093 -15.502 0.145 1.00 0.00 H new ATOM 727 N ASN A 463 -9.299 -12.544 5.415 1.00 0.00 N ATOM 728 CA ASN A 463 -9.546 -12.921 6.797 1.00 0.00 C ATOM 729 C ASN A 463 -8.296 -13.594 7.369 1.00 0.00 C ATOM 730 O ASN A 463 -7.907 -13.328 8.505 1.00 0.00 O ATOM 731 CB ASN A 463 -10.706 -13.913 6.898 1.00 0.00 C ATOM 732 CG ASN A 463 -10.526 -15.069 5.912 1.00 0.00 C ATOM 733 OD1 ASN A 463 -9.922 -16.086 6.212 1.00 0.00 O ATOM 734 ND2 ASN A 463 -11.083 -14.857 4.724 1.00 0.00 N ATOM 0 H ASN A 463 -9.836 -13.071 4.726 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.795 -12.018 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.768 -14.303 7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.646 -13.400 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -11.019 -15.569 3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -11.574 -13.982 4.540 1.00 0.00 H new ATOM 741 N ASP A 464 -7.702 -14.455 6.554 1.00 0.00 N ATOM 742 CA ASP A 464 -6.505 -15.168 6.965 1.00 0.00 C ATOM 743 C ASP A 464 -5.315 -14.206 6.960 1.00 0.00 C ATOM 744 O ASP A 464 -4.379 -14.376 6.181 1.00 0.00 O ATOM 745 CB ASP A 464 -6.190 -16.314 6.002 1.00 0.00 C ATOM 746 CG ASP A 464 -5.521 -17.533 6.642 1.00 0.00 C ATOM 747 OD1 ASP A 464 -6.162 -18.571 6.861 1.00 0.00 O ATOM 748 OD2 ASP A 464 -4.271 -17.383 6.925 1.00 0.00 O ATOM 0 H ASP A 464 -8.028 -14.674 5.612 1.00 0.00 H new ATOM 0 HA ASP A 464 -6.679 -15.571 7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -7.117 -16.635 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -5.542 -15.936 5.211 1.00 0.00 H new ATOM 754 N ALA A 465 -5.392 -13.216 7.837 1.00 0.00 N ATOM 755 CA ALA A 465 -4.334 -12.227 7.944 1.00 0.00 C ATOM 756 C ALA A 465 -4.856 -11.007 8.707 1.00 0.00 C ATOM 757 O ALA A 465 -5.932 -10.495 8.403 1.00 0.00 O ATOM 758 CB ALA A 465 -3.828 -11.866 6.546 1.00 0.00 C ATOM 0 H ALA A 465 -6.171 -13.078 8.480 1.00 0.00 H new ATOM 0 HA ALA A 465 -3.489 -12.629 8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.034 -11.124 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -3.441 -12.760 6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -4.648 -11.457 5.957 1.00 0.00 H new ATOM 764 N THR A 466 -4.070 -10.578 9.682 1.00 0.00 N ATOM 765 CA THR A 466 -4.439 -9.429 10.490 1.00 0.00 C ATOM 766 C THR A 466 -3.986 -8.133 9.815 1.00 0.00 C ATOM 767 O THR A 466 -2.802 -7.956 9.535 1.00 0.00 O ATOM 768 CB THR A 466 -3.847 -9.624 11.888 1.00 0.00 C ATOM 769 OG1 THR A 466 -4.714 -10.574 12.502 1.00 0.00 O ATOM 770 CG2 THR A 466 -3.984 -8.375 12.762 1.00 0.00 C ATOM 0 H THR A 466 -3.178 -11.006 9.931 1.00 0.00 H new ATOM 0 HA THR A 466 -5.522 -9.347 10.587 1.00 0.00 H new ATOM 0 HB THR A 466 -2.794 -9.893 11.802 1.00 0.00 H new ATOM 0 HG1 THR A 466 -4.403 -10.760 13.412 1.00 0.00 H new ATOM 0 HG21 THR A 466 -3.548 -8.567 13.742 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.463 -7.542 12.290 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.039 -8.125 12.876 1.00 0.00 H new ATOM 778 N CYS A 467 -4.952 -7.260 9.572 1.00 0.00 N ATOM 779 CA CYS A 467 -4.668 -5.986 8.935 1.00 0.00 C ATOM 780 C CYS A 467 -4.152 -5.018 10.002 1.00 0.00 C ATOM 781 O CYS A 467 -4.826 -4.777 11.003 1.00 0.00 O ATOM 782 CB CYS A 467 -5.894 -5.432 8.205 1.00 0.00 C ATOM 783 SG CYS A 467 -6.306 -3.696 8.609 1.00 0.00 S ATOM 0 H CYS A 467 -5.934 -7.410 9.805 1.00 0.00 H new ATOM 0 HA CYS A 467 -3.903 -6.122 8.171 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -5.726 -5.511 7.131 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -6.754 -6.059 8.440 1.00 0.00 H new ATOM 788 N LEU A 468 -2.963 -4.491 9.753 1.00 0.00 N ATOM 789 CA LEU A 468 -2.350 -3.556 10.680 1.00 0.00 C ATOM 790 C LEU A 468 -2.038 -2.250 9.948 1.00 0.00 C ATOM 791 O LEU A 468 -0.898 -2.012 9.551 1.00 0.00 O ATOM 792 CB LEU A 468 -1.131 -4.191 11.353 1.00 0.00 C ATOM 793 CG LEU A 468 -1.428 -5.210 12.454 1.00 0.00 C ATOM 794 CD1 LEU A 468 -0.179 -5.488 13.294 1.00 0.00 C ATOM 795 CD2 LEU A 468 -2.609 -4.759 13.316 1.00 0.00 C ATOM 0 H LEU A 468 -2.407 -4.694 8.922 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.040 -3.312 11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -0.531 -4.680 10.586 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -0.519 -3.395 11.778 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.715 -6.149 11.981 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.417 -6.216 14.070 1.00 0.00 H new ATOM 0 HD12 LEU A 468 0.609 -5.885 12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 468 0.161 -4.562 13.757 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -2.799 -5.502 14.091 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -2.375 -3.801 13.781 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -3.496 -4.652 12.691 1.00 0.00 H new ATOM 807 N ASP A 469 -3.071 -1.436 9.790 1.00 0.00 N ATOM 808 CA ASP A 469 -2.922 -0.159 9.113 1.00 0.00 C ATOM 809 C ASP A 469 -1.994 0.743 9.931 1.00 0.00 C ATOM 810 O ASP A 469 -2.276 1.039 11.091 1.00 0.00 O ATOM 811 CB ASP A 469 -4.269 0.552 8.974 1.00 0.00 C ATOM 812 CG ASP A 469 -4.197 2.080 8.965 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.364 2.735 10.006 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.954 2.608 7.814 1.00 0.00 O ATOM 0 H ASP A 469 -4.015 -1.636 10.119 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.511 -0.350 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -4.744 0.220 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -4.914 0.239 9.795 1.00 0.00 H new ATOM 820 N GLN A 470 -0.907 1.151 9.294 1.00 0.00 N ATOM 821 CA GLN A 470 0.064 2.013 9.947 1.00 0.00 C ATOM 822 C GLN A 470 0.123 3.372 9.249 1.00 0.00 C ATOM 823 O GLN A 470 -0.631 3.626 8.312 1.00 0.00 O ATOM 824 CB GLN A 470 1.445 1.354 9.983 1.00 0.00 C ATOM 825 CG GLN A 470 1.732 0.758 11.362 1.00 0.00 C ATOM 826 CD GLN A 470 2.295 -0.661 11.240 1.00 0.00 C ATOM 827 OE1 GLN A 470 3.490 -0.891 11.315 1.00 0.00 O ATOM 828 NE2 GLN A 470 1.368 -1.595 11.048 1.00 0.00 N ATOM 0 H GLN A 470 -0.677 0.901 8.332 1.00 0.00 H new ATOM 0 HA GLN A 470 -0.255 2.170 10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.498 0.571 9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 470 2.210 2.090 9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 470 2.442 1.390 11.895 1.00 0.00 H new ATOM 0 HG3 GLN A 470 0.816 0.740 11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 470 0.384 -1.333 10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 470 1.641 -2.573 10.954 1.00 0.00 H new ATOM 837 N ILE A 471 1.027 4.211 9.733 1.00 0.00 N ATOM 838 CA ILE A 471 1.195 5.538 9.165 1.00 0.00 C ATOM 839 C ILE A 471 1.695 5.415 7.725 1.00 0.00 C ATOM 840 O ILE A 471 2.742 4.818 7.477 1.00 0.00 O ATOM 841 CB ILE A 471 2.097 6.392 10.060 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.158 5.531 10.749 1.00 0.00 C ATOM 843 CG2 ILE A 471 1.271 7.199 11.063 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.876 4.633 9.740 1.00 0.00 C ATOM 0 H ILE A 471 1.650 3.998 10.512 1.00 0.00 H new ATOM 0 HA ILE A 471 0.238 6.059 9.125 1.00 0.00 H new ATOM 0 HB ILE A 471 2.624 7.109 9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 471 3.883 6.173 11.250 1.00 0.00 H new ATOM 0 HG13 ILE A 471 2.690 4.917 11.519 1.00 0.00 H new ATOM 0 HG21 ILE A 471 1.937 7.796 11.686 1.00 0.00 H new ATOM 0 HG22 ILE A 471 0.589 7.858 10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 471 0.698 6.519 11.693 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.625 4.032 10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 471 3.152 3.976 9.258 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.364 5.251 8.986 1.00 0.00 H new ATOM 856 N GLY A 472 0.922 5.987 6.814 1.00 0.00 N ATOM 857 CA GLY A 472 1.275 5.947 5.404 1.00 0.00 C ATOM 858 C GLY A 472 1.872 4.589 5.026 1.00 0.00 C ATOM 859 O GLY A 472 2.676 4.498 4.099 1.00 0.00 O ATOM 0 H GLY A 472 0.054 6.480 7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 472 0.390 6.140 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.992 6.738 5.182 1.00 0.00 H new ATOM 863 N GLU A 473 1.456 3.569 5.761 1.00 0.00 N ATOM 864 CA GLU A 473 1.940 2.223 5.515 1.00 0.00 C ATOM 865 C GLU A 473 1.063 1.202 6.244 1.00 0.00 C ATOM 866 O GLU A 473 0.426 1.527 7.245 1.00 0.00 O ATOM 867 CB GLU A 473 3.405 2.082 5.929 1.00 0.00 C ATOM 868 CG GLU A 473 3.548 2.089 7.452 1.00 0.00 C ATOM 869 CD GLU A 473 3.599 0.665 8.006 1.00 0.00 C ATOM 870 OE1 GLU A 473 3.062 -0.263 7.381 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.223 0.537 9.128 1.00 0.00 O ATOM 0 H GLU A 473 0.788 3.648 6.528 1.00 0.00 H new ATOM 0 HA GLU A 473 1.880 2.027 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 473 3.813 1.155 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 473 3.987 2.898 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 473 4.455 2.625 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.710 2.626 7.897 1.00 0.00 H new ATOM 879 N PHE A 474 1.059 -0.012 5.715 1.00 0.00 N ATOM 880 CA PHE A 474 0.271 -1.083 6.304 1.00 0.00 C ATOM 881 C PHE A 474 1.018 -2.416 6.231 1.00 0.00 C ATOM 882 O PHE A 474 1.872 -2.607 5.367 1.00 0.00 O ATOM 883 CB PHE A 474 -1.019 -1.189 5.488 1.00 0.00 C ATOM 884 CG PHE A 474 -1.047 -2.373 4.519 1.00 0.00 C ATOM 885 CD1 PHE A 474 -1.187 -3.639 4.998 1.00 0.00 C ATOM 886 CD2 PHE A 474 -0.932 -2.161 3.182 1.00 0.00 C ATOM 887 CE1 PHE A 474 -1.213 -4.739 4.099 1.00 0.00 C ATOM 888 CE2 PHE A 474 -0.959 -3.260 2.283 1.00 0.00 C ATOM 889 CZ PHE A 474 -1.100 -4.526 2.760 1.00 0.00 C ATOM 0 H PHE A 474 1.588 -0.279 4.885 1.00 0.00 H new ATOM 0 HA PHE A 474 0.072 -0.866 7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -1.864 -1.272 6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -1.156 -0.267 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -1.278 -3.808 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -0.820 -1.156 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -1.322 -5.744 4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -0.868 -3.091 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 474 -1.122 -5.362 2.076 1.00 0.00 H new ATOM 899 N GLN A 475 0.668 -3.305 7.150 1.00 0.00 N ATOM 900 CA GLN A 475 1.294 -4.614 7.202 1.00 0.00 C ATOM 901 C GLN A 475 0.271 -5.676 7.612 1.00 0.00 C ATOM 902 O GLN A 475 -0.496 -5.473 8.551 1.00 0.00 O ATOM 903 CB GLN A 475 2.493 -4.612 8.153 1.00 0.00 C ATOM 904 CG GLN A 475 2.059 -4.945 9.582 1.00 0.00 C ATOM 905 CD GLN A 475 3.259 -4.949 10.531 1.00 0.00 C ATOM 906 OE1 GLN A 475 3.343 -6.036 11.294 1.00 0.00 O flip ATOM 907 NE2 GLN A 475 4.056 -4.026 10.569 1.00 0.00 N flip ATOM 0 H GLN A 475 -0.042 -3.143 7.865 1.00 0.00 H new ATOM 0 HA GLN A 475 1.663 -4.858 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 475 3.232 -5.339 7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 475 2.975 -3.635 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.324 -4.216 9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 475 1.573 -5.920 9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 475 3.933 -3.220 9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 475 4.845 -4.060 11.214 1.00 0.00 H new ATOM 916 N CYS A 476 0.293 -6.784 6.886 1.00 0.00 N ATOM 917 CA CYS A 476 -0.623 -7.878 7.162 1.00 0.00 C ATOM 918 C CYS A 476 0.197 -9.094 7.596 1.00 0.00 C ATOM 919 O CYS A 476 1.196 -9.431 6.963 1.00 0.00 O ATOM 920 CB CYS A 476 -1.511 -8.189 5.955 1.00 0.00 C ATOM 921 SG CYS A 476 -0.650 -8.996 4.555 1.00 0.00 S ATOM 0 H CYS A 476 0.931 -6.948 6.107 1.00 0.00 H new ATOM 0 HA CYS A 476 -1.302 -7.594 7.966 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -2.329 -8.832 6.280 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -1.958 -7.260 5.601 1.00 0.00 H new ATOM 926 N ILE A 477 -0.255 -9.719 8.673 1.00 0.00 N ATOM 927 CA ILE A 477 0.425 -10.889 9.199 1.00 0.00 C ATOM 928 C ILE A 477 -0.260 -12.152 8.670 1.00 0.00 C ATOM 929 O ILE A 477 -1.424 -12.113 8.279 1.00 0.00 O ATOM 930 CB ILE A 477 0.499 -10.824 10.726 1.00 0.00 C ATOM 931 CG1 ILE A 477 0.959 -9.442 11.194 1.00 0.00 C ATOM 932 CG2 ILE A 477 1.388 -11.941 11.279 1.00 0.00 C ATOM 933 CD1 ILE A 477 2.440 -9.222 10.886 1.00 0.00 C ATOM 0 H ILE A 477 -1.084 -9.437 9.196 1.00 0.00 H new ATOM 0 HA ILE A 477 1.458 -10.917 8.853 1.00 0.00 H new ATOM 0 HB ILE A 477 -0.503 -10.982 11.124 1.00 0.00 H new ATOM 0 HG12 ILE A 477 0.364 -8.672 10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.788 -9.342 12.266 1.00 0.00 H new ATOM 0 HG21 ILE A 477 1.424 -11.873 12.366 1.00 0.00 H new ATOM 0 HG22 ILE A 477 0.979 -12.909 10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 477 2.395 -11.838 10.875 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.740 -8.232 11.229 1.00 0.00 H new ATOM 0 HD12 ILE A 477 3.034 -9.979 11.398 1.00 0.00 H new ATOM 0 HD13 ILE A 477 2.603 -9.298 9.811 1.00 0.00 H new ATOM 945 N CYS A 478 0.495 -13.242 8.676 1.00 0.00 N ATOM 946 CA CYS A 478 -0.024 -14.514 8.201 1.00 0.00 C ATOM 947 C CYS A 478 -0.227 -15.430 9.409 1.00 0.00 C ATOM 948 O CYS A 478 0.269 -15.146 10.497 1.00 0.00 O ATOM 949 CB CYS A 478 0.895 -15.144 7.153 1.00 0.00 C ATOM 950 SG CYS A 478 0.501 -14.701 5.422 1.00 0.00 S ATOM 0 H CYS A 478 1.461 -13.270 9.002 1.00 0.00 H new ATOM 0 HA CYS A 478 -0.980 -14.357 7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 478 1.922 -14.846 7.365 1.00 0.00 H new ATOM 0 HB3 CYS A 478 0.850 -16.228 7.255 1.00 0.00 H new ATOM 955 N MET A 479 -0.956 -16.511 9.175 1.00 0.00 N ATOM 956 CA MET A 479 -1.230 -17.472 10.229 1.00 0.00 C ATOM 957 C MET A 479 -0.540 -18.808 9.948 1.00 0.00 C ATOM 958 O MET A 479 -0.340 -19.176 8.792 1.00 0.00 O ATOM 959 CB MET A 479 -2.740 -17.690 10.342 1.00 0.00 C ATOM 960 CG MET A 479 -3.483 -16.356 10.425 1.00 0.00 C ATOM 961 SD MET A 479 -3.881 -15.983 12.126 1.00 0.00 S ATOM 962 CE MET A 479 -5.120 -14.721 11.885 1.00 0.00 C ATOM 0 H MET A 479 -1.366 -16.743 8.270 1.00 0.00 H new ATOM 0 HA MET A 479 -0.840 -17.075 11.166 1.00 0.00 H new ATOM 0 HB2 MET A 479 -3.095 -18.255 9.480 1.00 0.00 H new ATOM 0 HB3 MET A 479 -2.959 -18.288 11.227 1.00 0.00 H new ATOM 0 HG2 MET A 479 -2.868 -15.561 10.004 1.00 0.00 H new ATOM 0 HG3 MET A 479 -4.396 -16.401 9.831 1.00 0.00 H new ATOM 0 HE1 MET A 479 -5.479 -14.374 12.854 1.00 0.00 H new ATOM 0 HE2 MET A 479 -4.685 -13.884 11.338 1.00 0.00 H new ATOM 0 HE3 MET A 479 -5.953 -15.133 11.316 1.00 0.00 H new ATOM 972 N PRO A 480 -0.185 -19.516 11.054 1.00 0.00 N ATOM 973 CA PRO A 480 0.478 -20.804 10.936 1.00 0.00 C ATOM 974 C PRO A 480 -0.509 -21.894 10.513 1.00 0.00 C ATOM 975 O PRO A 480 -0.835 -22.780 11.300 1.00 0.00 O ATOM 976 CB PRO A 480 1.091 -21.057 12.304 1.00 0.00 C ATOM 977 CG PRO A 480 0.361 -20.132 13.265 1.00 0.00 C ATOM 978 CD PRO A 480 -0.406 -19.111 12.439 1.00 0.00 C ATOM 0 HA PRO A 480 1.245 -20.812 10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 480 0.972 -22.100 12.599 1.00 0.00 H new ATOM 0 HB3 PRO A 480 2.161 -20.848 12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 480 -0.321 -20.700 13.898 1.00 0.00 H new ATOM 0 HG3 PRO A 480 1.069 -19.633 13.927 1.00 0.00 H new ATOM 0 HD2 PRO A 480 -1.467 -19.116 12.689 1.00 0.00 H new ATOM 0 HD3 PRO A 480 -0.040 -18.100 12.619 1.00 0.00 H new ATOM 986 N GLY A 481 -0.957 -21.790 9.269 1.00 0.00 N ATOM 987 CA GLY A 481 -1.899 -22.756 8.732 1.00 0.00 C ATOM 988 C GLY A 481 -2.050 -22.591 7.219 1.00 0.00 C ATOM 989 O GLY A 481 -2.122 -23.578 6.488 1.00 0.00 O ATOM 0 H GLY A 481 -0.685 -21.052 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 481 -1.559 -23.766 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 481 -2.869 -22.630 9.214 1.00 0.00 H new ATOM 993 N TYR A 482 -2.092 -21.337 6.794 1.00 0.00 N ATOM 994 CA TYR A 482 -2.232 -21.031 5.380 1.00 0.00 C ATOM 995 C TYR A 482 -1.042 -20.213 4.875 1.00 0.00 C ATOM 996 O TYR A 482 -0.222 -19.750 5.667 1.00 0.00 O ATOM 997 CB TYR A 482 -3.504 -20.189 5.254 1.00 0.00 C ATOM 998 CG TYR A 482 -4.798 -21.002 5.323 1.00 0.00 C ATOM 999 CD1 TYR A 482 -5.228 -21.514 6.530 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -5.534 -21.224 4.177 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -6.447 -22.280 6.593 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -6.752 -21.990 4.241 1.00 0.00 C ATOM 1003 CZ TYR A 482 -7.148 -22.480 5.445 1.00 0.00 C ATOM 1004 OH TYR A 482 -8.299 -23.202 5.506 1.00 0.00 O ATOM 0 H TYR A 482 -2.032 -20.521 7.403 1.00 0.00 H new ATOM 0 HA TYR A 482 -2.277 -21.948 4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -3.513 -19.442 6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -3.477 -19.648 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -4.652 -21.341 7.427 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -5.197 -20.823 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -6.796 -22.686 7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -7.338 -22.171 3.352 1.00 0.00 H new ATOM 0 HH TYR A 482 -8.694 -23.264 4.611 1.00 0.00 H new ATOM 1014 N GLU A 483 -0.983 -20.060 3.560 1.00 0.00 N ATOM 1015 CA GLU A 483 0.093 -19.307 2.941 1.00 0.00 C ATOM 1016 C GLU A 483 -0.391 -18.660 1.642 1.00 0.00 C ATOM 1017 O GLU A 483 -1.554 -18.802 1.270 1.00 0.00 O ATOM 1018 CB GLU A 483 1.312 -20.198 2.689 1.00 0.00 C ATOM 1019 CG GLU A 483 2.613 -19.429 2.931 1.00 0.00 C ATOM 1020 CD GLU A 483 3.598 -19.644 1.781 1.00 0.00 C ATOM 1021 OE1 GLU A 483 3.729 -18.774 0.906 1.00 0.00 O ATOM 1022 OE2 GLU A 483 4.243 -20.761 1.817 1.00 0.00 O ATOM 0 H GLU A 483 -1.664 -20.446 2.906 1.00 0.00 H new ATOM 0 HA GLU A 483 0.398 -18.516 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 483 1.273 -21.068 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 483 1.290 -20.569 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 483 2.397 -18.366 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 483 3.065 -19.756 3.867 1.00 0.00 H new ATOM 1030 N GLY A 484 0.527 -17.963 0.988 1.00 0.00 N ATOM 1031 CA GLY A 484 0.208 -17.293 -0.261 1.00 0.00 C ATOM 1032 C GLY A 484 0.283 -15.773 -0.103 1.00 0.00 C ATOM 1033 O GLY A 484 0.896 -15.272 0.839 1.00 0.00 O ATOM 0 H GLY A 484 1.491 -17.848 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 484 0.901 -17.616 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.792 -17.579 -0.586 1.00 0.00 H new ATOM 1037 N VAL A 485 -0.351 -15.081 -1.039 1.00 0.00 N ATOM 1038 CA VAL A 485 -0.364 -13.628 -1.015 1.00 0.00 C ATOM 1039 C VAL A 485 -1.425 -13.148 -0.022 1.00 0.00 C ATOM 1040 O VAL A 485 -1.245 -12.126 0.636 1.00 0.00 O ATOM 1041 CB VAL A 485 -0.577 -13.084 -2.429 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -1.985 -12.504 -2.587 1.00 0.00 C ATOM 1043 CG2 VAL A 485 0.488 -12.043 -2.782 1.00 0.00 C ATOM 0 H VAL A 485 -0.859 -15.499 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 485 0.597 -13.242 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 485 -0.477 -13.915 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -2.110 -12.124 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -2.723 -13.284 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -2.126 -11.691 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 485 0.314 -11.672 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 485 0.434 -11.214 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 485 1.476 -12.501 -2.729 1.00 0.00 H new ATOM 1053 N HIS A 486 -2.507 -13.908 0.051 1.00 0.00 N ATOM 1054 CA HIS A 486 -3.598 -13.573 0.951 1.00 0.00 C ATOM 1055 C HIS A 486 -3.608 -14.549 2.129 1.00 0.00 C ATOM 1056 O HIS A 486 -4.386 -14.385 3.068 1.00 0.00 O ATOM 1057 CB HIS A 486 -4.931 -13.536 0.199 1.00 0.00 C ATOM 1058 CG HIS A 486 -4.859 -12.850 -1.144 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -5.357 -13.420 -2.303 1.00 0.00 N ATOM 1060 CD2 HIS A 486 -4.345 -11.638 -1.500 1.00 0.00 C ATOM 1061 CE1 HIS A 486 -5.146 -12.580 -3.305 1.00 0.00 C ATOM 1062 NE2 HIS A 486 -4.518 -11.477 -2.807 1.00 0.00 N ATOM 0 H HIS A 486 -2.652 -14.755 -0.498 1.00 0.00 H new ATOM 0 HA HIS A 486 -3.448 -12.572 1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.284 -14.557 0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -5.671 -13.027 0.817 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -3.877 -10.930 -0.833 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -5.423 -12.741 -4.336 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -4.229 -10.663 -3.349 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.735 -15.542 2.041 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.634 -16.544 3.090 1.00 0.00 C ATOM 1072 C CYS A 487 -3.991 -17.242 3.219 1.00 0.00 C ATOM 1073 O CYS A 487 -4.394 -17.623 4.316 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.179 -15.932 4.415 1.00 0.00 C ATOM 1075 SG CYS A 487 -0.538 -16.498 4.996 1.00 0.00 S ATOM 0 H CYS A 487 -2.092 -15.674 1.261 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.873 -17.277 2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -2.158 -14.847 4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.920 -16.164 5.180 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.656 -17.387 2.083 1.00 0.00 N ATOM 1081 CA GLU A 488 -5.958 -18.032 2.055 1.00 0.00 C ATOM 1082 C GLU A 488 -5.834 -19.455 1.508 1.00 0.00 C ATOM 1083 O GLU A 488 -6.817 -20.194 1.463 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.959 -17.214 1.237 1.00 0.00 C ATOM 1085 CG GLU A 488 -8.393 -17.674 1.503 1.00 0.00 C ATOM 1086 CD GLU A 488 -8.811 -17.360 2.942 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -8.162 -16.544 3.611 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -9.852 -17.999 3.358 1.00 0.00 O ATOM 0 H GLU A 488 -4.318 -17.069 1.175 1.00 0.00 H new ATOM 0 HA GLU A 488 -6.335 -18.088 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.860 -16.158 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.733 -17.313 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -9.072 -17.181 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -8.474 -18.746 1.322 1.00 0.00 H new ATOM 1096 N VAL A 489 -4.619 -19.796 1.104 1.00 0.00 N ATOM 1097 CA VAL A 489 -4.354 -21.117 0.562 1.00 0.00 C ATOM 1098 C VAL A 489 -3.988 -22.068 1.702 1.00 0.00 C ATOM 1099 O VAL A 489 -2.981 -21.869 2.382 1.00 0.00 O ATOM 1100 CB VAL A 489 -3.273 -21.031 -0.517 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -3.247 -19.643 -1.159 1.00 0.00 C ATOM 1102 CG2 VAL A 489 -1.901 -21.401 0.050 1.00 0.00 C ATOM 0 H VAL A 489 -3.807 -19.180 1.141 1.00 0.00 H new ATOM 0 HA VAL A 489 -5.245 -21.518 0.079 1.00 0.00 H new ATOM 0 HB VAL A 489 -3.519 -21.754 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -2.470 -19.610 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -4.214 -19.436 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -3.039 -18.893 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 489 -1.151 -21.332 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 489 -1.644 -20.715 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 489 -1.929 -22.420 0.435 1.00 0.00 H new ATOM 1112 N ASN A 490 -4.823 -23.081 1.878 1.00 0.00 N ATOM 1113 CA ASN A 490 -4.598 -24.063 2.924 1.00 0.00 C ATOM 1114 C ASN A 490 -3.498 -25.031 2.482 1.00 0.00 C ATOM 1115 O ASN A 490 -3.781 -26.063 1.874 1.00 0.00 O ATOM 1116 CB ASN A 490 -5.864 -24.880 3.194 1.00 0.00 C ATOM 1117 CG ASN A 490 -6.469 -25.402 1.889 1.00 0.00 C ATOM 1118 OD1 ASN A 490 -5.893 -25.289 0.818 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -7.659 -25.979 2.036 1.00 0.00 N ATOM 0 H ASN A 490 -5.657 -23.243 1.313 1.00 0.00 H new ATOM 0 HA ASN A 490 -4.311 -23.530 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -5.627 -25.718 3.850 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -6.595 -24.263 3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 490 -8.145 -26.360 1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -8.085 -26.041 2.961 1.00 0.00 H new ATOM 1126 N THR A 491 -2.268 -24.664 2.806 1.00 0.00 N ATOM 1127 CA THR A 491 -1.122 -25.486 2.450 1.00 0.00 C ATOM 1128 C THR A 491 -1.292 -26.057 1.041 1.00 0.00 C ATOM 1129 O THR A 491 -2.196 -25.653 0.310 1.00 0.00 O ATOM 1130 CB THR A 491 -0.962 -26.562 3.525 1.00 0.00 C ATOM 1131 OG1 THR A 491 0.443 -26.792 3.579 1.00 0.00 O ATOM 1132 CG2 THR A 491 -1.543 -27.910 3.097 1.00 0.00 C ATOM 0 H THR A 491 -2.038 -23.808 3.311 1.00 0.00 H new ATOM 0 HA THR A 491 -0.206 -24.896 2.419 1.00 0.00 H new ATOM 0 HB THR A 491 -1.449 -26.232 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 491 0.637 -27.476 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 491 -1.403 -28.637 3.897 1.00 0.00 H new ATOM 0 HG22 THR A 491 -2.607 -27.798 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 491 -1.034 -28.257 2.198 1.00 0.00 H new ATOM 1140 N ASP A 492 -0.411 -26.984 0.702 1.00 0.00 N ATOM 1141 CA ASP A 492 -0.452 -27.614 -0.607 1.00 0.00 C ATOM 1142 C ASP A 492 -1.648 -28.567 -0.672 1.00 0.00 C ATOM 1143 O ASP A 492 -2.348 -28.758 0.321 1.00 0.00 O ATOM 1144 CB ASP A 492 0.817 -28.430 -0.866 1.00 0.00 C ATOM 1145 CG ASP A 492 1.259 -28.490 -2.330 1.00 0.00 C ATOM 1146 OD1 ASP A 492 1.875 -27.548 -2.850 1.00 0.00 O ATOM 1147 OD2 ASP A 492 0.941 -29.574 -2.952 1.00 0.00 O ATOM 0 H ASP A 492 0.337 -27.315 1.311 1.00 0.00 H new ATOM 0 HA ASP A 492 -0.535 -26.828 -1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 492 1.629 -28.009 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 492 0.656 -29.447 -0.509 1.00 0.00 H new ATOM 1153 N GLU A 493 -1.844 -29.138 -1.851 1.00 0.00 N ATOM 1154 CA GLU A 493 -2.943 -30.065 -2.058 1.00 0.00 C ATOM 1155 C GLU A 493 -2.456 -31.304 -2.816 1.00 0.00 C ATOM 1156 O GLU A 493 -3.231 -31.947 -3.524 1.00 0.00 O ATOM 1157 CB GLU A 493 -4.099 -29.391 -2.800 1.00 0.00 C ATOM 1158 CG GLU A 493 -5.248 -29.066 -1.843 1.00 0.00 C ATOM 1159 CD GLU A 493 -5.130 -27.639 -1.307 1.00 0.00 C ATOM 1160 OE1 GLU A 493 -5.826 -26.734 -1.793 1.00 0.00 O ATOM 1161 OE2 GLU A 493 -4.278 -27.483 -0.352 1.00 0.00 O ATOM 0 H GLU A 493 -1.261 -28.977 -2.672 1.00 0.00 H new ATOM 0 HA GLU A 493 -3.315 -30.379 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 493 -3.747 -28.476 -3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 493 -4.457 -30.045 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 493 -6.201 -29.186 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 493 -5.244 -29.772 -1.012 1.00 0.00 H new ATOM 1169 N CYS A 494 -1.178 -31.600 -2.638 1.00 0.00 N ATOM 1170 CA CYS A 494 -0.579 -32.750 -3.296 1.00 0.00 C ATOM 1171 C CYS A 494 0.085 -33.622 -2.228 1.00 0.00 C ATOM 1172 O CYS A 494 1.108 -34.256 -2.486 1.00 0.00 O ATOM 1173 CB CYS A 494 0.410 -32.328 -4.384 1.00 0.00 C ATOM 1174 SG CYS A 494 -0.356 -31.882 -5.985 1.00 0.00 S ATOM 0 H CYS A 494 -0.540 -31.065 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 494 -1.353 -33.325 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 494 0.985 -31.476 -4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 494 1.116 -33.142 -4.549 1.00 0.00 H new ATOM 1179 N ALA A 495 -0.522 -33.625 -1.050 1.00 0.00 N ATOM 1180 CA ALA A 495 -0.002 -34.408 0.058 1.00 0.00 C ATOM 1181 C ALA A 495 -0.249 -35.893 -0.212 1.00 0.00 C ATOM 1182 O ALA A 495 0.327 -36.754 0.452 1.00 0.00 O ATOM 1183 CB ALA A 495 -0.648 -33.938 1.363 1.00 0.00 C ATOM 0 H ALA A 495 -1.369 -33.098 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 495 1.074 -34.265 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 495 -0.258 -34.525 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 495 -0.419 -32.885 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 495 -1.728 -34.069 1.302 1.00 0.00 H new ATOM 1189 N SER A 496 -1.106 -36.150 -1.190 1.00 0.00 N ATOM 1190 CA SER A 496 -1.436 -37.516 -1.557 1.00 0.00 C ATOM 1191 C SER A 496 -0.560 -37.971 -2.726 1.00 0.00 C ATOM 1192 O SER A 496 0.230 -38.903 -2.589 1.00 0.00 O ATOM 1193 CB SER A 496 -2.916 -37.648 -1.921 1.00 0.00 C ATOM 1194 OG SER A 496 -3.710 -38.025 -0.798 1.00 0.00 O ATOM 0 H SER A 496 -1.582 -35.434 -1.739 1.00 0.00 H new ATOM 0 HA SER A 496 -1.243 -38.156 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 496 -3.278 -36.700 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 496 -3.030 -38.390 -2.711 1.00 0.00 H new ATOM 0 HG SER A 496 -4.649 -38.097 -1.070 1.00 0.00 H new ATOM 1200 N SER A 497 -0.729 -37.289 -3.850 1.00 0.00 N ATOM 1201 CA SER A 497 0.037 -37.611 -5.042 1.00 0.00 C ATOM 1202 C SER A 497 0.943 -36.436 -5.415 1.00 0.00 C ATOM 1203 O SER A 497 0.523 -35.525 -6.126 1.00 0.00 O ATOM 1204 CB SER A 497 -0.886 -37.960 -6.211 1.00 0.00 C ATOM 1205 OG SER A 497 -2.248 -37.653 -5.928 1.00 0.00 O ATOM 0 H SER A 497 -1.385 -36.515 -3.960 1.00 0.00 H new ATOM 0 HA SER A 497 0.654 -38.484 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 497 -0.568 -37.413 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 497 -0.794 -39.022 -6.441 1.00 0.00 H new ATOM 0 HG SER A 497 -2.804 -37.889 -6.700 1.00 0.00 H new ATOM 1211 N PRO A 498 2.202 -36.498 -4.905 1.00 0.00 N ATOM 1212 CA PRO A 498 3.172 -35.451 -5.176 1.00 0.00 C ATOM 1213 C PRO A 498 3.708 -35.557 -6.605 1.00 0.00 C ATOM 1214 O PRO A 498 4.713 -36.224 -6.846 1.00 0.00 O ATOM 1215 CB PRO A 498 4.251 -35.630 -4.122 1.00 0.00 C ATOM 1216 CG PRO A 498 4.086 -37.045 -3.593 1.00 0.00 C ATOM 1217 CD PRO A 498 2.734 -37.561 -4.059 1.00 0.00 C ATOM 0 HA PRO A 498 2.740 -34.452 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 498 5.243 -35.486 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 498 4.140 -34.898 -3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 498 4.887 -37.686 -3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 498 4.144 -37.055 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 498 2.836 -38.494 -4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 498 2.075 -37.762 -3.215 1.00 0.00 H new ATOM 1225 N CYS A 499 3.015 -34.889 -7.516 1.00 0.00 N ATOM 1226 CA CYS A 499 3.409 -34.901 -8.914 1.00 0.00 C ATOM 1227 C CYS A 499 4.728 -34.136 -9.047 1.00 0.00 C ATOM 1228 O CYS A 499 4.807 -33.151 -9.778 1.00 0.00 O ATOM 1229 CB CYS A 499 2.318 -34.317 -9.814 1.00 0.00 C ATOM 1230 SG CYS A 499 0.613 -34.521 -9.183 1.00 0.00 S ATOM 0 H CYS A 499 2.183 -34.336 -7.312 1.00 0.00 H new ATOM 0 HA CYS A 499 3.551 -35.929 -9.246 1.00 0.00 H new ATOM 0 HB2 CYS A 499 2.513 -33.254 -9.955 1.00 0.00 H new ATOM 0 HB3 CYS A 499 2.386 -34.787 -10.795 1.00 0.00 H new ATOM 1235 N LEU A 500 5.731 -34.622 -8.330 1.00 0.00 N ATOM 1236 CA LEU A 500 7.042 -33.996 -8.359 1.00 0.00 C ATOM 1237 C LEU A 500 7.964 -34.797 -9.280 1.00 0.00 C ATOM 1238 O LEU A 500 8.304 -35.941 -8.982 1.00 0.00 O ATOM 1239 CB LEU A 500 7.588 -33.828 -6.939 1.00 0.00 C ATOM 1240 CG LEU A 500 8.329 -35.034 -6.358 1.00 0.00 C ATOM 1241 CD1 LEU A 500 7.474 -36.299 -6.450 1.00 0.00 C ATOM 1242 CD2 LEU A 500 9.693 -35.213 -7.028 1.00 0.00 C ATOM 0 H LEU A 500 5.662 -35.441 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 500 6.974 -32.989 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 500 8.264 -32.973 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 500 6.756 -33.585 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 500 8.512 -34.846 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 500 8.024 -37.141 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 500 6.549 -36.155 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 500 7.238 -36.504 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 500 10.199 -36.077 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 500 9.555 -35.370 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 500 10.297 -34.320 -6.867 1.00 0.00 H new ATOM 1254 N HIS A 501 8.343 -34.165 -10.382 1.00 0.00 N ATOM 1255 CA HIS A 501 9.218 -34.806 -11.349 1.00 0.00 C ATOM 1256 C HIS A 501 9.043 -34.145 -12.716 1.00 0.00 C ATOM 1257 O HIS A 501 9.813 -33.261 -13.088 1.00 0.00 O ATOM 1258 CB HIS A 501 8.977 -36.316 -11.385 1.00 0.00 C ATOM 1259 CG HIS A 501 9.926 -37.111 -10.522 1.00 0.00 C ATOM 1260 ND1 HIS A 501 10.848 -36.704 -9.602 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 9.992 -38.493 -10.555 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 11.443 -37.779 -9.100 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 10.915 -38.889 -9.690 1.00 0.00 N flip ATOM 0 H HIS A 501 8.060 -33.216 -10.626 1.00 0.00 H new ATOM 0 HA HIS A 501 10.257 -34.671 -11.049 1.00 0.00 H new ATOM 0 HB2 HIS A 501 7.955 -36.518 -11.064 1.00 0.00 H new ATOM 0 HB3 HIS A 501 9.062 -36.662 -12.415 1.00 0.00 H new ATOM 0 HD2 HIS A 501 9.393 -39.139 -11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 501 12.218 -37.775 -8.348 1.00 0.00 H new ATOM 0 HE2 HIS A 501 11.183 -39.854 -9.499 1.00 0.00 H new ATOM 1271 N ASN A 502 8.022 -34.598 -13.431 1.00 0.00 N ATOM 1272 CA ASN A 502 7.736 -34.062 -14.752 1.00 0.00 C ATOM 1273 C ASN A 502 6.555 -33.094 -14.658 1.00 0.00 C ATOM 1274 O ASN A 502 6.087 -32.579 -15.672 1.00 0.00 O ATOM 1275 CB ASN A 502 7.357 -35.176 -15.729 1.00 0.00 C ATOM 1276 CG ASN A 502 6.205 -36.019 -15.179 1.00 0.00 C ATOM 1277 OD1 ASN A 502 5.038 -35.757 -15.421 1.00 0.00 O ATOM 1278 ND2 ASN A 502 6.596 -37.045 -14.426 1.00 0.00 N ATOM 0 H ASN A 502 7.383 -35.330 -13.120 1.00 0.00 H new ATOM 0 HA ASN A 502 8.632 -33.557 -15.112 1.00 0.00 H new ATOM 0 HB2 ASN A 502 7.070 -34.742 -16.687 1.00 0.00 H new ATOM 0 HB3 ASN A 502 8.222 -35.813 -15.914 1.00 0.00 H new ATOM 0 HD21 ASN A 502 5.902 -37.668 -14.012 1.00 0.00 H new ATOM 0 HD22 ASN A 502 7.590 -37.208 -14.263 1.00 0.00 H new ATOM 1285 N GLY A 503 6.106 -32.875 -13.430 1.00 0.00 N ATOM 1286 CA GLY A 503 4.988 -31.978 -13.190 1.00 0.00 C ATOM 1287 C GLY A 503 5.219 -31.138 -11.932 1.00 0.00 C ATOM 1288 O GLY A 503 5.999 -31.520 -11.062 1.00 0.00 O ATOM 0 H GLY A 503 6.496 -33.304 -12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 503 4.853 -31.322 -14.050 1.00 0.00 H new ATOM 0 HA3 GLY A 503 4.070 -32.556 -13.082 1.00 0.00 H new ATOM 1292 N ARG A 504 4.527 -30.011 -11.877 1.00 0.00 N ATOM 1293 CA ARG A 504 4.646 -29.113 -10.740 1.00 0.00 C ATOM 1294 C ARG A 504 3.290 -28.939 -10.056 1.00 0.00 C ATOM 1295 O ARG A 504 2.366 -28.370 -10.636 1.00 0.00 O ATOM 1296 CB ARG A 504 5.171 -27.743 -11.173 1.00 0.00 C ATOM 1297 CG ARG A 504 6.005 -27.099 -10.063 1.00 0.00 C ATOM 1298 CD ARG A 504 7.501 -27.281 -10.325 1.00 0.00 C ATOM 1299 NE ARG A 504 8.273 -26.952 -9.106 1.00 0.00 N ATOM 1300 CZ ARG A 504 8.260 -27.695 -7.980 1.00 0.00 C ATOM 1301 NH1 ARG A 504 7.515 -28.818 -7.908 1.00 0.00 N ATOM 1302 NH2 ARG A 504 8.990 -27.308 -6.949 1.00 0.00 N ATOM 0 H ARG A 504 3.881 -29.698 -12.602 1.00 0.00 H new ATOM 0 HA ARG A 504 5.355 -29.557 -10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 504 5.777 -27.850 -12.073 1.00 0.00 H new ATOM 0 HB3 ARG A 504 4.334 -27.093 -11.428 1.00 0.00 H new ATOM 0 HG2 ARG A 504 5.770 -26.037 -9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 504 5.744 -27.543 -9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 504 7.703 -28.309 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.815 -26.639 -11.148 1.00 0.00 H new ATOM 0 HE ARG A 504 8.851 -26.111 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 504 6.956 -29.111 -8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 504 7.511 -29.374 -7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 504 9.552 -26.459 -7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 504 8.992 -27.858 -6.090 1.00 0.00 H new ATOM 1315 N CYS A 505 3.211 -29.441 -8.832 1.00 0.00 N ATOM 1316 CA CYS A 505 1.982 -29.349 -8.062 1.00 0.00 C ATOM 1317 C CYS A 505 1.797 -27.894 -7.625 1.00 0.00 C ATOM 1318 O CYS A 505 2.544 -27.394 -6.787 1.00 0.00 O ATOM 1319 CB CYS A 505 1.988 -30.306 -6.869 1.00 0.00 C ATOM 1320 SG CYS A 505 1.301 -31.966 -7.215 1.00 0.00 S ATOM 0 H CYS A 505 3.979 -29.913 -8.354 1.00 0.00 H new ATOM 0 HA CYS A 505 1.138 -29.652 -8.682 1.00 0.00 H new ATOM 0 HB2 CYS A 505 3.013 -30.419 -6.516 1.00 0.00 H new ATOM 0 HB3 CYS A 505 1.419 -29.855 -6.056 1.00 0.00 H new ATOM 1325 N LEU A 506 0.796 -27.256 -8.215 1.00 0.00 N ATOM 1326 CA LEU A 506 0.504 -25.869 -7.898 1.00 0.00 C ATOM 1327 C LEU A 506 -0.339 -25.808 -6.622 1.00 0.00 C ATOM 1328 O LEU A 506 -1.331 -26.524 -6.495 1.00 0.00 O ATOM 1329 CB LEU A 506 -0.142 -25.169 -9.095 1.00 0.00 C ATOM 1330 CG LEU A 506 0.790 -24.317 -9.958 1.00 0.00 C ATOM 1331 CD1 LEU A 506 0.206 -24.110 -11.357 1.00 0.00 C ATOM 1332 CD2 LEU A 506 1.113 -22.989 -9.270 1.00 0.00 C ATOM 0 H LEU A 506 0.178 -27.674 -8.910 1.00 0.00 H new ATOM 0 HA LEU A 506 1.426 -25.323 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -0.600 -25.927 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -0.947 -24.532 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 506 1.730 -24.855 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 506 0.889 -23.501 -11.950 1.00 0.00 H new ATOM 0 HD12 LEU A 506 0.069 -25.077 -11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -0.756 -23.604 -11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 506 1.777 -22.402 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 506 0.191 -22.434 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 506 1.602 -23.183 -8.315 1.00 0.00 H new ATOM 1344 N ASP A 507 0.087 -24.948 -5.709 1.00 0.00 N ATOM 1345 CA ASP A 507 -0.615 -24.786 -4.447 1.00 0.00 C ATOM 1346 C ASP A 507 -1.773 -23.804 -4.637 1.00 0.00 C ATOM 1347 O ASP A 507 -1.597 -22.595 -4.490 1.00 0.00 O ATOM 1348 CB ASP A 507 0.312 -24.221 -3.369 1.00 0.00 C ATOM 1349 CG ASP A 507 -0.391 -23.452 -2.249 1.00 0.00 C ATOM 1350 OD1 ASP A 507 0.201 -22.569 -1.610 1.00 0.00 O ATOM 1351 OD2 ASP A 507 -1.618 -23.793 -2.041 1.00 0.00 O ATOM 0 H ASP A 507 0.910 -24.356 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 507 -0.977 -25.765 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 507 0.874 -25.044 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 507 1.036 -23.559 -3.844 1.00 0.00 H new ATOM 1357 N LYS A 508 -2.931 -24.359 -4.961 1.00 0.00 N ATOM 1358 CA LYS A 508 -4.118 -23.548 -5.172 1.00 0.00 C ATOM 1359 C LYS A 508 -5.084 -23.749 -4.001 1.00 0.00 C ATOM 1360 O LYS A 508 -5.253 -24.866 -3.517 1.00 0.00 O ATOM 1361 CB LYS A 508 -4.737 -23.848 -6.537 1.00 0.00 C ATOM 1362 CG LYS A 508 -4.305 -22.811 -7.576 1.00 0.00 C ATOM 1363 CD LYS A 508 -5.119 -22.951 -8.864 1.00 0.00 C ATOM 1364 CE LYS A 508 -4.892 -24.318 -9.511 1.00 0.00 C ATOM 1365 NZ LYS A 508 -5.312 -24.297 -10.930 1.00 0.00 N ATOM 0 H LYS A 508 -3.073 -25.362 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 508 -3.857 -22.490 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 508 -4.437 -24.843 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -5.824 -23.854 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -4.433 -21.808 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -3.245 -22.933 -7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 508 -6.179 -22.820 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 508 -4.839 -22.163 -9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 508 -3.839 -24.589 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -5.454 -25.080 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -5.851 -25.160 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 -5.909 -23.463 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 -4.471 -24.253 -11.540 1.00 0.00 H new ATOM 1378 N ILE A 509 -5.689 -22.649 -3.580 1.00 0.00 N ATOM 1379 CA ILE A 509 -6.633 -22.690 -2.476 1.00 0.00 C ATOM 1380 C ILE A 509 -7.631 -23.827 -2.706 1.00 0.00 C ATOM 1381 O ILE A 509 -8.495 -23.733 -3.577 1.00 0.00 O ATOM 1382 CB ILE A 509 -7.292 -21.323 -2.284 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -7.893 -20.815 -3.595 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -6.309 -20.321 -1.676 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -9.384 -21.147 -3.682 1.00 0.00 C ATOM 0 H ILE A 509 -5.544 -21.723 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 509 -6.116 -22.903 -1.540 1.00 0.00 H new ATOM 0 HB ILE A 509 -8.114 -21.436 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -7.752 -19.737 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -7.367 -21.264 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -6.803 -19.357 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -5.972 -20.685 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -5.451 -20.205 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -9.785 -20.774 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -9.520 -22.227 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -9.911 -20.676 -2.852 1.00 0.00 H new ATOM 1397 N ASN A 510 -7.479 -24.875 -1.910 1.00 0.00 N ATOM 1398 CA ASN A 510 -8.355 -26.028 -2.015 1.00 0.00 C ATOM 1399 C ASN A 510 -8.344 -26.542 -3.456 1.00 0.00 C ATOM 1400 O ASN A 510 -9.388 -26.604 -4.105 1.00 0.00 O ATOM 1401 CB ASN A 510 -9.797 -25.661 -1.655 1.00 0.00 C ATOM 1402 CG ASN A 510 -10.032 -25.782 -0.149 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -9.854 -26.827 0.453 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -10.445 -24.655 0.427 1.00 0.00 N ATOM 0 H ASN A 510 -6.761 -24.949 -1.189 1.00 0.00 H new ATOM 0 HA ASN A 510 -7.994 -26.789 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -10.009 -24.642 -1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -10.487 -26.315 -2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -10.632 -24.633 1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -10.575 -23.813 -0.134 1.00 0.00 H new ATOM 1411 N GLU A 511 -7.154 -26.896 -3.916 1.00 0.00 N ATOM 1412 CA GLU A 511 -6.993 -27.403 -5.268 1.00 0.00 C ATOM 1413 C GLU A 511 -5.517 -27.381 -5.671 1.00 0.00 C ATOM 1414 O GLU A 511 -4.807 -26.415 -5.394 1.00 0.00 O ATOM 1415 CB GLU A 511 -7.842 -26.603 -6.257 1.00 0.00 C ATOM 1416 CG GLU A 511 -8.982 -27.456 -6.817 1.00 0.00 C ATOM 1417 CD GLU A 511 -9.679 -26.746 -7.979 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -10.180 -25.624 -7.811 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -9.689 -27.402 -9.090 1.00 0.00 O ATOM 0 H GLU A 511 -6.290 -26.842 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 511 -7.341 -28.436 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 511 -8.251 -25.723 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 511 -7.215 -26.246 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -8.591 -28.416 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -9.705 -27.666 -6.029 1.00 0.00 H new ATOM 1427 N PHE A 512 -5.098 -28.458 -6.319 1.00 0.00 N ATOM 1428 CA PHE A 512 -3.719 -28.576 -6.763 1.00 0.00 C ATOM 1429 C PHE A 512 -3.646 -28.771 -8.278 1.00 0.00 C ATOM 1430 O PHE A 512 -4.511 -29.420 -8.867 1.00 0.00 O ATOM 1431 CB PHE A 512 -3.130 -29.807 -6.072 1.00 0.00 C ATOM 1432 CG PHE A 512 -3.884 -31.106 -6.366 1.00 0.00 C ATOM 1433 CD1 PHE A 512 -5.105 -31.325 -5.809 1.00 0.00 C ATOM 1434 CD2 PHE A 512 -3.332 -32.042 -7.185 1.00 0.00 C ATOM 1435 CE1 PHE A 512 -5.804 -32.530 -6.083 1.00 0.00 C ATOM 1436 CE2 PHE A 512 -4.031 -33.247 -7.458 1.00 0.00 C ATOM 1437 CZ PHE A 512 -5.253 -33.466 -6.901 1.00 0.00 C ATOM 0 H PHE A 512 -5.689 -29.257 -6.547 1.00 0.00 H new ATOM 0 HA PHE A 512 -3.169 -27.669 -6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 512 -2.092 -29.923 -6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 512 -3.124 -29.638 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 512 -5.543 -30.583 -5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 512 -2.362 -31.868 -7.627 1.00 0.00 H new ATOM 0 HE1 PHE A 512 -6.774 -32.703 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 512 -3.593 -33.990 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 512 -5.785 -34.383 -7.109 1.00 0.00 H new ATOM 1447 N GLN A 513 -2.607 -28.201 -8.867 1.00 0.00 N ATOM 1448 CA GLN A 513 -2.409 -28.304 -10.303 1.00 0.00 C ATOM 1449 C GLN A 513 -0.992 -28.794 -10.610 1.00 0.00 C ATOM 1450 O GLN A 513 -0.024 -28.056 -10.428 1.00 0.00 O ATOM 1451 CB GLN A 513 -2.688 -26.968 -10.994 1.00 0.00 C ATOM 1452 CG GLN A 513 -3.842 -27.096 -11.991 1.00 0.00 C ATOM 1453 CD GLN A 513 -3.334 -27.554 -13.360 1.00 0.00 C ATOM 1454 OE1 GLN A 513 -2.982 -26.759 -14.217 1.00 0.00 O ATOM 1455 NE2 GLN A 513 -3.312 -28.873 -13.517 1.00 0.00 N ATOM 0 H GLN A 513 -1.892 -27.665 -8.376 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.118 -29.033 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -2.930 -26.212 -10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -1.791 -26.628 -11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.576 -27.808 -11.614 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.350 -26.137 -12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -3.621 -29.482 -12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -2.987 -29.277 -14.395 1.00 0.00 H new ATOM 1464 N CYS A 514 -0.915 -30.034 -11.069 1.00 0.00 N ATOM 1465 CA CYS A 514 0.366 -30.630 -11.404 1.00 0.00 C ATOM 1466 C CYS A 514 0.759 -30.172 -12.809 1.00 0.00 C ATOM 1467 O CYS A 514 0.806 -30.977 -13.738 1.00 0.00 O ATOM 1468 CB CYS A 514 0.328 -32.156 -11.291 1.00 0.00 C ATOM 1469 SG CYS A 514 -0.367 -32.791 -9.722 1.00 0.00 S ATOM 0 H CYS A 514 -1.720 -30.643 -11.217 1.00 0.00 H new ATOM 0 HA CYS A 514 1.120 -30.297 -10.691 1.00 0.00 H new ATOM 0 HB2 CYS A 514 -0.259 -32.553 -12.119 1.00 0.00 H new ATOM 0 HB3 CYS A 514 1.342 -32.540 -11.405 1.00 0.00 H new ATOM 1474 N GLU A 515 1.031 -28.880 -12.922 1.00 0.00 N ATOM 1475 CA GLU A 515 1.415 -28.305 -14.199 1.00 0.00 C ATOM 1476 C GLU A 515 2.792 -28.823 -14.620 1.00 0.00 C ATOM 1477 O GLU A 515 3.152 -29.959 -14.315 1.00 0.00 O ATOM 1478 CB GLU A 515 1.400 -26.776 -14.138 1.00 0.00 C ATOM 1479 CG GLU A 515 2.582 -26.247 -13.322 1.00 0.00 C ATOM 1480 CD GLU A 515 3.312 -25.133 -14.072 1.00 0.00 C ATOM 1481 OE1 GLU A 515 3.392 -24.000 -13.575 1.00 0.00 O ATOM 1482 OE2 GLU A 515 3.810 -25.478 -15.213 1.00 0.00 O ATOM 0 H GLU A 515 0.993 -28.215 -12.149 1.00 0.00 H new ATOM 0 HA GLU A 515 0.687 -28.613 -14.949 1.00 0.00 H new ATOM 0 HB2 GLU A 515 1.439 -26.368 -15.148 1.00 0.00 H new ATOM 0 HB3 GLU A 515 0.465 -26.436 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 515 2.227 -25.872 -12.362 1.00 0.00 H new ATOM 0 HG3 GLU A 515 3.275 -27.061 -13.109 1.00 0.00 H new ATOM 1490 N CYS A 516 3.525 -27.966 -15.316 1.00 0.00 N ATOM 1491 CA CYS A 516 4.854 -28.324 -15.782 1.00 0.00 C ATOM 1492 C CYS A 516 5.878 -27.737 -14.810 1.00 0.00 C ATOM 1493 O CYS A 516 5.696 -26.631 -14.302 1.00 0.00 O ATOM 1494 CB CYS A 516 5.095 -27.852 -17.218 1.00 0.00 C ATOM 1495 SG CYS A 516 5.988 -29.047 -18.278 1.00 0.00 S ATOM 0 H CYS A 516 3.224 -27.025 -15.568 1.00 0.00 H new ATOM 0 HA CYS A 516 4.955 -29.409 -15.803 1.00 0.00 H new ATOM 0 HB2 CYS A 516 4.133 -27.628 -17.678 1.00 0.00 H new ATOM 0 HB3 CYS A 516 5.660 -26.920 -17.189 1.00 0.00 H new ATOM 0 HG CYS A 516 6.134 -28.546 -19.469 1.00 0.00 H new ATOM 1500 N PRO A 517 6.962 -28.524 -14.572 1.00 0.00 N ATOM 1501 CA PRO A 517 8.016 -28.094 -13.669 1.00 0.00 C ATOM 1502 C PRO A 517 8.893 -27.023 -14.321 1.00 0.00 C ATOM 1503 O PRO A 517 8.493 -26.400 -15.302 1.00 0.00 O ATOM 1504 CB PRO A 517 8.782 -29.362 -13.328 1.00 0.00 C ATOM 1505 CG PRO A 517 8.422 -30.370 -14.406 1.00 0.00 C ATOM 1506 CD PRO A 517 7.211 -29.838 -15.156 1.00 0.00 C ATOM 0 HA PRO A 517 7.630 -27.622 -12.765 1.00 0.00 H new ATOM 0 HB2 PRO A 517 9.856 -29.176 -13.310 1.00 0.00 H new ATOM 0 HB3 PRO A 517 8.506 -29.731 -12.340 1.00 0.00 H new ATOM 0 HG2 PRO A 517 9.260 -30.515 -15.088 1.00 0.00 H new ATOM 0 HG3 PRO A 517 8.200 -31.341 -13.962 1.00 0.00 H new ATOM 0 HD2 PRO A 517 7.408 -29.765 -16.226 1.00 0.00 H new ATOM 0 HD3 PRO A 517 6.350 -30.495 -15.035 1.00 0.00 H new