USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 470 GLN :FLIP amide:sc= -1.8 F(o=-4.8!,f=-1.4) USER MOD Set 1.2: A 475 GLN : amide:sc= 0.406 K(o=-1.4,f=-4.8) USER MOD Set 2.1: A 462 GLN :FLIP amide:sc= -1.89! C(o=-4.5!,f=-3.4!) USER MOD Set 2.2: A 463 ASN :FLIP amide:sc= -1.5! C(o=-5.1!,f=-3.4!) USER MOD Set 3.1: A 458 SER OG : rot 63:sc= 1.23 USER MOD Set 3.2: A 459 ASN :FLIP amide:sc= -1.47 F(o=-3.7!,f=-0.24) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc= -2.71 K(o=-2.7,f=-6!) USER MOD Single : A 425 HIS :FLIP no HD1:sc= -0.644 F(o=-1.8!,f=-0.64) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -1.91! C(o=-1.9!,f=-10!) USER MOD Single : A 432 THR OG1 : rot 167:sc= -6.93! USER MOD Single : A 435 SER OG : rot 180:sc= -0.119 USER MOD Single : A 439 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.023) USER MOD Single : A 442 GLN :FLIP amide:sc= -1.07! C(o=-1.9!,f=-1.1!) USER MOD Single : A 444 TYR OH : rot 180:sc= -2.16! USER MOD Single : A 445 THR OG1 : rot 180:sc= -0.339! USER MOD Single : A 454 ASN : amide:sc= -7.63! C(o=-7.6!,f=-16!) USER MOD Single : A 466 THR OG1 : rot 180:sc= 0 USER MOD Single : A 479 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 486 HIS :FLIP no HD1:sc= -3.51! C(o=-4.5!,f=-3.5!) USER MOD Single : A 490 ASN : amide:sc= 0.101 X(o=0.1,f=-0.065) USER MOD Single : A 491 THR OG1 : rot 180:sc= -0.0501 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= -0.0146 F(o=-0.65,f=-0.015) USER MOD Single : A 502 ASN : amide:sc= -0.0967 X(o=-0.097,f=-0.55) USER MOD Single : A 508 LYS NZ :NH3+ -142:sc= -0.369 (180deg=-2.52!) USER MOD Single : A 510 ASN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 513 GLN : amide:sc= -0.995 X(o=-1,f=-1.4) USER MOD Single : A 516 CYS SG : rot -42:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 412 2.520 34.707 5.242 1.00 0.00 N ATOM 19 CA ASP A 412 1.317 34.391 5.993 1.00 0.00 C ATOM 20 C ASP A 412 1.701 33.654 7.278 1.00 0.00 C ATOM 21 O ASP A 412 2.881 33.407 7.526 1.00 0.00 O ATOM 22 CB ASP A 412 0.386 33.482 5.188 1.00 0.00 C ATOM 23 CG ASP A 412 -1.064 33.450 5.670 1.00 0.00 C ATOM 24 OD1 ASP A 412 -1.697 34.497 5.864 1.00 0.00 O ATOM 25 OD2 ASP A 412 -1.551 32.269 5.854 1.00 0.00 O ATOM 0 HA ASP A 412 0.804 35.327 6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 412 0.400 33.804 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 412 0.783 32.467 5.213 1.00 0.00 H new ATOM 31 N VAL A 413 0.685 33.324 8.060 1.00 0.00 N ATOM 32 CA VAL A 413 0.902 32.620 9.312 1.00 0.00 C ATOM 33 C VAL A 413 0.982 31.117 9.041 1.00 0.00 C ATOM 34 O VAL A 413 0.359 30.617 8.106 1.00 0.00 O ATOM 35 CB VAL A 413 -0.193 32.989 10.316 1.00 0.00 C ATOM 36 CG1 VAL A 413 -1.322 31.957 10.299 1.00 0.00 C ATOM 37 CG2 VAL A 413 0.384 33.144 11.725 1.00 0.00 C ATOM 0 H VAL A 413 -0.292 33.531 7.851 1.00 0.00 H new ATOM 0 HA VAL A 413 1.850 32.920 9.759 1.00 0.00 H new ATOM 0 HB VAL A 413 -0.611 33.950 10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 413 -2.087 32.243 11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 413 -1.761 31.915 9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 413 -0.923 30.977 10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 413 -0.415 33.406 12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 413 0.841 32.205 12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 413 1.137 33.932 11.725 1.00 0.00 H new ATOM 47 N ASP A 414 1.757 30.437 9.875 1.00 0.00 N ATOM 48 CA ASP A 414 1.927 29.002 9.736 1.00 0.00 C ATOM 49 C ASP A 414 0.886 28.283 10.598 1.00 0.00 C ATOM 50 O ASP A 414 1.206 27.787 11.678 1.00 0.00 O ATOM 51 CB ASP A 414 3.315 28.563 10.208 1.00 0.00 C ATOM 52 CG ASP A 414 3.765 27.190 9.705 1.00 0.00 C ATOM 53 OD1 ASP A 414 4.947 26.829 9.803 1.00 0.00 O ATOM 54 OD2 ASP A 414 2.831 26.466 9.187 1.00 0.00 O ATOM 0 H ASP A 414 2.274 30.855 10.649 1.00 0.00 H new ATOM 0 HA ASP A 414 1.807 28.749 8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 414 4.044 29.307 9.887 1.00 0.00 H new ATOM 0 HB3 ASP A 414 3.326 28.555 11.298 1.00 0.00 H new ATOM 60 N GLU A 415 -0.336 28.249 10.089 1.00 0.00 N ATOM 61 CA GLU A 415 -1.425 27.601 10.799 1.00 0.00 C ATOM 62 C GLU A 415 -1.057 26.151 11.123 1.00 0.00 C ATOM 63 O GLU A 415 -1.665 25.533 11.996 1.00 0.00 O ATOM 64 CB GLU A 415 -2.723 27.670 9.992 1.00 0.00 C ATOM 65 CG GLU A 415 -3.133 29.120 9.734 1.00 0.00 C ATOM 66 CD GLU A 415 -3.014 29.469 8.250 1.00 0.00 C ATOM 67 OE1 GLU A 415 -2.884 30.651 7.899 1.00 0.00 O ATOM 68 OE2 GLU A 415 -3.061 28.460 7.448 1.00 0.00 O ATOM 0 H GLU A 415 -0.596 28.660 9.193 1.00 0.00 H new ATOM 0 HA GLU A 415 -1.590 28.132 11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 415 -2.593 27.151 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 415 -3.518 27.154 10.531 1.00 0.00 H new ATOM 0 HG2 GLU A 415 -4.159 29.276 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 415 -2.503 29.789 10.320 1.00 0.00 H new ATOM 76 N CYS A 416 -0.065 25.652 10.403 1.00 0.00 N ATOM 77 CA CYS A 416 0.392 24.286 10.604 1.00 0.00 C ATOM 78 C CYS A 416 1.334 24.266 11.808 1.00 0.00 C ATOM 79 O CYS A 416 1.579 23.212 12.392 1.00 0.00 O ATOM 80 CB CYS A 416 1.057 23.721 9.347 1.00 0.00 C ATOM 81 SG CYS A 416 2.886 23.681 9.401 1.00 0.00 S ATOM 0 H CYS A 416 0.436 26.168 9.679 1.00 0.00 H new ATOM 0 HA CYS A 416 -0.463 23.640 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 416 0.690 22.708 9.182 1.00 0.00 H new ATOM 0 HB3 CYS A 416 0.745 24.316 8.489 1.00 0.00 H new ATOM 86 N SER A 417 1.840 25.445 12.142 1.00 0.00 N ATOM 87 CA SER A 417 2.751 25.576 13.266 1.00 0.00 C ATOM 88 C SER A 417 1.994 26.076 14.498 1.00 0.00 C ATOM 89 O SER A 417 2.459 25.914 15.624 1.00 0.00 O ATOM 90 CB SER A 417 3.905 26.523 12.932 1.00 0.00 C ATOM 91 OG SER A 417 5.019 26.335 13.800 1.00 0.00 O ATOM 0 H SER A 417 1.636 26.317 11.654 1.00 0.00 H new ATOM 0 HA SER A 417 3.173 24.594 13.480 1.00 0.00 H new ATOM 0 HB2 SER A 417 4.218 26.363 11.900 1.00 0.00 H new ATOM 0 HB3 SER A 417 3.560 27.554 13.004 1.00 0.00 H new ATOM 0 HG SER A 417 5.735 26.957 13.553 1.00 0.00 H new ATOM 97 N LEU A 418 0.839 26.674 14.242 1.00 0.00 N ATOM 98 CA LEU A 418 0.014 27.199 15.316 1.00 0.00 C ATOM 99 C LEU A 418 -0.650 26.036 16.058 1.00 0.00 C ATOM 100 O LEU A 418 -0.193 25.639 17.128 1.00 0.00 O ATOM 101 CB LEU A 418 -0.980 28.229 14.773 1.00 0.00 C ATOM 102 CG LEU A 418 -0.389 29.577 14.360 1.00 0.00 C ATOM 103 CD1 LEU A 418 -0.999 30.063 13.042 1.00 0.00 C ATOM 104 CD2 LEU A 418 -0.543 30.610 15.478 1.00 0.00 C ATOM 0 H LEU A 418 0.456 26.806 13.306 1.00 0.00 H new ATOM 0 HA LEU A 418 0.627 27.733 16.042 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -1.486 27.797 13.910 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -1.741 28.406 15.533 1.00 0.00 H new ATOM 0 HG LEU A 418 0.679 29.443 14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -0.561 31.024 12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -0.794 29.336 12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -2.077 30.175 13.160 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -0.114 31.560 15.158 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -1.601 30.747 15.704 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -0.024 30.260 16.370 1.00 0.00 H new ATOM 116 N GLY A 419 -1.714 25.525 15.460 1.00 0.00 N ATOM 117 CA GLY A 419 -2.445 24.417 16.051 1.00 0.00 C ATOM 118 C GLY A 419 -3.396 23.781 15.035 1.00 0.00 C ATOM 119 O GLY A 419 -4.415 23.203 15.409 1.00 0.00 O ATOM 0 H GLY A 419 -2.089 25.857 14.571 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -1.743 23.667 16.416 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -3.011 24.769 16.913 1.00 0.00 H new ATOM 123 N ALA A 420 -3.029 23.911 13.767 1.00 0.00 N ATOM 124 CA ALA A 420 -3.837 23.358 12.694 1.00 0.00 C ATOM 125 C ALA A 420 -2.965 22.459 11.815 1.00 0.00 C ATOM 126 O ALA A 420 -2.537 22.868 10.738 1.00 0.00 O ATOM 127 CB ALA A 420 -4.485 24.497 11.904 1.00 0.00 C ATOM 0 H ALA A 420 -2.183 24.391 13.460 1.00 0.00 H new ATOM 0 HA ALA A 420 -4.641 22.743 13.097 1.00 0.00 H new ATOM 0 HB1 ALA A 420 -5.091 24.082 11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 420 -5.117 25.086 12.568 1.00 0.00 H new ATOM 0 HB3 ALA A 420 -3.708 25.135 11.482 1.00 0.00 H new ATOM 133 N ASN A 421 -2.726 21.254 12.311 1.00 0.00 N ATOM 134 CA ASN A 421 -1.911 20.295 11.584 1.00 0.00 C ATOM 135 C ASN A 421 -2.735 19.035 11.312 1.00 0.00 C ATOM 136 O ASN A 421 -2.986 18.246 12.220 1.00 0.00 O ATOM 137 CB ASN A 421 -0.681 19.888 12.398 1.00 0.00 C ATOM 138 CG ASN A 421 0.250 18.994 11.576 1.00 0.00 C ATOM 139 OD1 ASN A 421 0.814 19.397 10.573 1.00 0.00 O ATOM 140 ND2 ASN A 421 0.376 17.760 12.056 1.00 0.00 N ATOM 0 H ASN A 421 -3.082 20.920 13.207 1.00 0.00 H new ATOM 0 HA ASN A 421 -1.589 20.763 10.654 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -0.143 20.779 12.721 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -0.995 19.361 13.299 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.974 17.086 11.578 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -0.125 17.488 12.902 1.00 0.00 H new ATOM 147 N PRO A 422 -3.144 18.883 10.024 1.00 0.00 N ATOM 148 CA PRO A 422 -3.935 17.733 9.620 1.00 0.00 C ATOM 149 C PRO A 422 -3.067 16.475 9.530 1.00 0.00 C ATOM 150 O PRO A 422 -3.557 15.364 9.721 1.00 0.00 O ATOM 151 CB PRO A 422 -4.550 18.127 8.287 1.00 0.00 C ATOM 152 CG PRO A 422 -3.718 19.288 7.770 1.00 0.00 C ATOM 153 CD PRO A 422 -2.865 19.799 8.921 1.00 0.00 C ATOM 0 HA PRO A 422 -4.711 17.481 10.343 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -4.532 17.292 7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -5.593 18.418 8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.088 18.967 6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -4.363 20.081 7.391 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -1.806 19.795 8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -3.126 20.825 9.182 1.00 0.00 H new ATOM 161 N CYS A 423 -1.793 16.694 9.240 1.00 0.00 N ATOM 162 CA CYS A 423 -0.853 15.592 9.122 1.00 0.00 C ATOM 163 C CYS A 423 -0.991 14.708 10.362 1.00 0.00 C ATOM 164 O CYS A 423 -0.581 13.548 10.352 1.00 0.00 O ATOM 165 CB CYS A 423 0.582 16.090 8.933 1.00 0.00 C ATOM 166 SG CYS A 423 0.966 16.701 7.252 1.00 0.00 S ATOM 0 H CYS A 423 -1.390 17.618 9.083 1.00 0.00 H new ATOM 0 HA CYS A 423 -1.085 15.007 8.232 1.00 0.00 H new ATOM 0 HB2 CYS A 423 0.771 16.891 9.648 1.00 0.00 H new ATOM 0 HB3 CYS A 423 1.268 15.279 9.175 1.00 0.00 H new ATOM 171 N GLU A 424 -1.571 15.290 11.402 1.00 0.00 N ATOM 172 CA GLU A 424 -1.768 14.569 12.649 1.00 0.00 C ATOM 173 C GLU A 424 -0.432 14.380 13.370 1.00 0.00 C ATOM 174 O GLU A 424 -0.113 15.122 14.298 1.00 0.00 O ATOM 175 CB GLU A 424 -2.452 13.223 12.402 1.00 0.00 C ATOM 176 CG GLU A 424 -3.848 13.420 11.807 1.00 0.00 C ATOM 177 CD GLU A 424 -4.922 12.836 12.725 1.00 0.00 C ATOM 178 OE1 GLU A 424 -4.660 12.593 13.912 1.00 0.00 O ATOM 179 OE2 GLU A 424 -6.068 12.634 12.167 1.00 0.00 O ATOM 0 H GLU A 424 -1.911 16.252 11.407 1.00 0.00 H new ATOM 0 HA GLU A 424 -2.423 15.161 13.288 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -1.846 12.621 11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -2.526 12.671 13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -4.035 14.483 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -3.901 12.942 10.829 1.00 0.00 H new ATOM 187 N HIS A 425 0.314 13.383 12.916 1.00 0.00 N ATOM 188 CA HIS A 425 1.608 13.087 13.507 1.00 0.00 C ATOM 189 C HIS A 425 2.606 12.732 12.404 1.00 0.00 C ATOM 190 O HIS A 425 3.746 13.196 12.419 1.00 0.00 O ATOM 191 CB HIS A 425 1.484 11.992 14.569 1.00 0.00 C ATOM 192 CG HIS A 425 0.327 11.047 14.344 1.00 0.00 C ATOM 193 ND1 HIS A 425 -1.007 11.199 14.582 1.00 0.00 N flip ATOM 194 CD2 HIS A 425 0.489 9.777 13.816 1.00 0.00 C flip ATOM 195 CE1 HIS A 425 -1.628 10.085 14.217 1.00 0.00 C flip ATOM 196 NE2 HIS A 425 -0.702 9.201 13.743 1.00 0.00 N flip ATOM 0 H HIS A 425 0.047 12.770 12.146 1.00 0.00 H new ATOM 0 HA HIS A 425 1.987 13.970 14.022 1.00 0.00 H new ATOM 0 HB2 HIS A 425 2.410 11.417 14.594 1.00 0.00 H new ATOM 0 HB3 HIS A 425 1.373 12.460 15.547 1.00 0.00 H new ATOM 0 HD2 HIS A 425 1.426 9.332 13.515 1.00 0.00 H new ATOM 0 HE1 HIS A 425 -2.691 9.907 14.284 1.00 0.00 H new ATOM 0 HE2 HIS A 425 -0.893 8.262 13.394 1.00 0.00 H new ATOM 204 N ALA A 426 2.142 11.910 11.473 1.00 0.00 N ATOM 205 CA ALA A 426 2.981 11.486 10.364 1.00 0.00 C ATOM 206 C ALA A 426 2.613 12.292 9.117 1.00 0.00 C ATOM 207 O ALA A 426 1.640 11.979 8.434 1.00 0.00 O ATOM 208 CB ALA A 426 2.824 9.979 10.151 1.00 0.00 C ATOM 0 H ALA A 426 1.197 11.527 11.464 1.00 0.00 H new ATOM 0 HA ALA A 426 4.032 11.676 10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 426 3.453 9.662 9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 426 3.124 9.450 11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 426 1.782 9.750 9.926 1.00 0.00 H new ATOM 214 N GLY A 427 3.413 13.317 8.857 1.00 0.00 N ATOM 215 CA GLY A 427 3.185 14.170 7.703 1.00 0.00 C ATOM 216 C GLY A 427 3.986 15.468 7.814 1.00 0.00 C ATOM 217 O GLY A 427 4.459 15.820 8.894 1.00 0.00 O ATOM 0 H GLY A 427 4.219 13.575 9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 427 3.468 13.640 6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 427 2.123 14.400 7.620 1.00 0.00 H new ATOM 221 N LYS A 428 4.114 16.146 6.683 1.00 0.00 N ATOM 222 CA LYS A 428 4.850 17.398 6.640 1.00 0.00 C ATOM 223 C LYS A 428 3.863 18.567 6.673 1.00 0.00 C ATOM 224 O LYS A 428 2.919 18.610 5.886 1.00 0.00 O ATOM 225 CB LYS A 428 5.793 17.424 5.434 1.00 0.00 C ATOM 226 CG LYS A 428 7.199 17.866 5.848 1.00 0.00 C ATOM 227 CD LYS A 428 7.195 19.312 6.347 1.00 0.00 C ATOM 228 CE LYS A 428 8.063 20.202 5.456 1.00 0.00 C ATOM 229 NZ LYS A 428 9.488 20.090 5.841 1.00 0.00 N ATOM 0 H LYS A 428 3.720 15.852 5.789 1.00 0.00 H new ATOM 0 HA LYS A 428 5.489 17.494 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 428 5.838 16.434 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 428 5.402 18.104 4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 428 7.575 17.208 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 428 7.878 17.772 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 428 6.174 19.692 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 428 7.564 19.348 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 428 7.939 19.913 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 428 7.738 21.239 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 10.063 20.701 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 9.605 20.387 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 9.799 19.103 5.737 1.00 0.00 H new ATOM 242 N CYS A 429 4.115 19.486 7.594 1.00 0.00 N ATOM 243 CA CYS A 429 3.260 20.652 7.740 1.00 0.00 C ATOM 244 C CYS A 429 4.059 21.889 7.325 1.00 0.00 C ATOM 245 O CYS A 429 5.092 22.194 7.920 1.00 0.00 O ATOM 246 CB CYS A 429 2.715 20.777 9.165 1.00 0.00 C ATOM 247 SG CYS A 429 3.517 22.069 10.183 1.00 0.00 S ATOM 0 H CYS A 429 4.898 19.447 8.246 1.00 0.00 H new ATOM 0 HA CYS A 429 2.388 20.551 7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 429 1.647 20.986 9.113 1.00 0.00 H new ATOM 0 HB3 CYS A 429 2.828 19.816 9.668 1.00 0.00 H new ATOM 252 N ILE A 430 3.550 22.567 6.306 1.00 0.00 N ATOM 253 CA ILE A 430 4.204 23.764 5.804 1.00 0.00 C ATOM 254 C ILE A 430 3.233 24.943 5.889 1.00 0.00 C ATOM 255 O ILE A 430 2.047 24.757 6.154 1.00 0.00 O ATOM 256 CB ILE A 430 4.756 23.523 4.398 1.00 0.00 C ATOM 257 CG1 ILE A 430 4.319 22.157 3.864 1.00 0.00 C ATOM 258 CG2 ILE A 430 6.277 23.688 4.371 1.00 0.00 C ATOM 259 CD1 ILE A 430 4.993 21.023 4.639 1.00 0.00 C ATOM 0 H ILE A 430 2.693 22.311 5.815 1.00 0.00 H new ATOM 0 HA ILE A 430 5.066 24.015 6.422 1.00 0.00 H new ATOM 0 HB ILE A 430 4.338 24.278 3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 430 3.236 22.062 3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 430 4.570 22.079 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 430 6.644 23.511 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 430 6.539 24.700 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 430 6.733 22.970 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 430 4.665 20.064 4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 430 6.075 21.107 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 430 4.720 21.090 5.692 1.00 0.00 H new ATOM 271 N ASN A 431 3.773 26.131 5.658 1.00 0.00 N ATOM 272 CA ASN A 431 2.969 27.340 5.705 1.00 0.00 C ATOM 273 C ASN A 431 2.761 27.865 4.283 1.00 0.00 C ATOM 274 O ASN A 431 3.702 27.910 3.491 1.00 0.00 O ATOM 275 CB ASN A 431 3.667 28.434 6.515 1.00 0.00 C ATOM 276 CG ASN A 431 2.958 29.779 6.344 1.00 0.00 C ATOM 277 OD1 ASN A 431 1.860 29.870 5.820 1.00 0.00 O ATOM 278 ND2 ASN A 431 3.645 30.816 6.816 1.00 0.00 N ATOM 0 H ASN A 431 4.757 26.282 5.438 1.00 0.00 H new ATOM 0 HA ASN A 431 2.017 27.094 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 431 3.681 28.158 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 431 4.705 28.523 6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 431 3.257 31.757 6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.560 30.670 7.243 1.00 0.00 H new ATOM 285 N THR A 432 1.525 28.249 4.003 1.00 0.00 N ATOM 286 CA THR A 432 1.183 28.769 2.689 1.00 0.00 C ATOM 287 C THR A 432 0.493 30.128 2.817 1.00 0.00 C ATOM 288 O THR A 432 0.058 30.507 3.903 1.00 0.00 O ATOM 289 CB THR A 432 0.330 27.721 1.973 1.00 0.00 C ATOM 290 OG1 THR A 432 -0.007 26.788 2.997 1.00 0.00 O ATOM 291 CG2 THR A 432 1.137 26.896 0.968 1.00 0.00 C ATOM 0 H THR A 432 0.748 28.211 4.663 1.00 0.00 H new ATOM 0 HA THR A 432 2.076 28.947 2.090 1.00 0.00 H new ATOM 0 HB THR A 432 -0.494 28.215 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 432 -0.721 26.197 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 432 0.484 26.167 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 432 1.561 27.557 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 432 1.942 26.376 1.487 1.00 0.00 H new ATOM 299 N LEU A 433 0.417 30.826 1.693 1.00 0.00 N ATOM 300 CA LEU A 433 -0.213 32.136 1.666 1.00 0.00 C ATOM 301 C LEU A 433 -1.728 31.972 1.795 1.00 0.00 C ATOM 302 O LEU A 433 -2.353 31.283 0.988 1.00 0.00 O ATOM 303 CB LEU A 433 0.218 32.912 0.419 1.00 0.00 C ATOM 304 CG LEU A 433 1.343 33.929 0.619 1.00 0.00 C ATOM 305 CD1 LEU A 433 1.889 34.412 -0.727 1.00 0.00 C ATOM 306 CD2 LEU A 433 0.882 35.091 1.500 1.00 0.00 C ATOM 0 H LEU A 433 0.781 30.509 0.794 1.00 0.00 H new ATOM 0 HA LEU A 433 0.116 32.734 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 433 0.533 32.196 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -0.652 33.435 0.022 1.00 0.00 H new ATOM 0 HG LEU A 433 2.162 33.435 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 433 2.688 35.134 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 433 2.281 33.563 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 433 1.088 34.884 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 433 1.701 35.799 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 433 0.038 35.593 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 433 0.578 34.710 2.475 1.00 0.00 H new ATOM 318 N GLY A 434 -2.276 32.615 2.815 1.00 0.00 N ATOM 319 CA GLY A 434 -3.706 32.549 3.060 1.00 0.00 C ATOM 320 C GLY A 434 -4.075 31.272 3.820 1.00 0.00 C ATOM 321 O GLY A 434 -4.862 31.313 4.764 1.00 0.00 O ATOM 0 H GLY A 434 -1.755 33.185 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 434 -4.021 33.421 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 434 -4.243 32.580 2.112 1.00 0.00 H new ATOM 325 N SER A 435 -3.488 30.171 3.377 1.00 0.00 N ATOM 326 CA SER A 435 -3.744 28.884 4.004 1.00 0.00 C ATOM 327 C SER A 435 -2.425 28.154 4.258 1.00 0.00 C ATOM 328 O SER A 435 -1.374 28.577 3.779 1.00 0.00 O ATOM 329 CB SER A 435 -4.669 28.025 3.138 1.00 0.00 C ATOM 330 OG SER A 435 -5.066 26.829 3.806 1.00 0.00 O ATOM 0 H SER A 435 -2.837 30.142 2.593 1.00 0.00 H new ATOM 0 HA SER A 435 -4.243 29.060 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 435 -5.554 28.602 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 435 -4.161 27.770 2.208 1.00 0.00 H new ATOM 0 HG SER A 435 -5.657 26.309 3.222 1.00 0.00 H new ATOM 336 N PHE A 436 -2.522 27.069 5.014 1.00 0.00 N ATOM 337 CA PHE A 436 -1.348 26.275 5.337 1.00 0.00 C ATOM 338 C PHE A 436 -1.320 24.980 4.524 1.00 0.00 C ATOM 339 O PHE A 436 -2.365 24.389 4.256 1.00 0.00 O ATOM 340 CB PHE A 436 -1.439 25.928 6.825 1.00 0.00 C ATOM 341 CG PHE A 436 -2.525 24.904 7.159 1.00 0.00 C ATOM 342 CD1 PHE A 436 -2.273 23.575 7.018 1.00 0.00 C ATOM 343 CD2 PHE A 436 -3.743 25.322 7.598 1.00 0.00 C ATOM 344 CE1 PHE A 436 -3.281 22.624 7.327 1.00 0.00 C ATOM 345 CE2 PHE A 436 -4.750 24.371 7.908 1.00 0.00 C ATOM 346 CZ PHE A 436 -4.498 23.042 7.767 1.00 0.00 C ATOM 0 H PHE A 436 -3.395 26.722 5.412 1.00 0.00 H new ATOM 0 HA PHE A 436 -0.443 26.837 5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 436 -0.475 25.542 7.157 1.00 0.00 H new ATOM 0 HB3 PHE A 436 -1.629 26.841 7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 436 -1.306 23.243 6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 436 -3.944 26.377 7.711 1.00 0.00 H new ATOM 0 HE1 PHE A 436 -3.081 21.569 7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 436 -5.717 24.703 8.256 1.00 0.00 H new ATOM 0 HZ PHE A 436 -5.264 22.319 8.004 1.00 0.00 H new ATOM 356 N GLU A 437 -0.113 24.575 4.156 1.00 0.00 N ATOM 357 CA GLU A 437 0.065 23.361 3.379 1.00 0.00 C ATOM 358 C GLU A 437 0.656 22.253 4.253 1.00 0.00 C ATOM 359 O GLU A 437 1.481 22.520 5.126 1.00 0.00 O ATOM 360 CB GLU A 437 0.941 23.619 2.152 1.00 0.00 C ATOM 361 CG GLU A 437 1.519 22.311 1.608 1.00 0.00 C ATOM 362 CD GLU A 437 1.728 22.393 0.094 1.00 0.00 C ATOM 363 OE1 GLU A 437 1.067 21.666 -0.663 1.00 0.00 O ATOM 364 OE2 GLU A 437 2.614 23.247 -0.288 1.00 0.00 O ATOM 0 H GLU A 437 0.751 25.067 4.382 1.00 0.00 H new ATOM 0 HA GLU A 437 -0.912 23.033 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 437 0.353 24.111 1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.752 24.298 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 437 2.468 22.096 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 437 0.846 21.486 1.842 1.00 0.00 H new ATOM 372 N CYS A 438 0.212 21.033 3.989 1.00 0.00 N ATOM 373 CA CYS A 438 0.687 19.884 4.741 1.00 0.00 C ATOM 374 C CYS A 438 0.793 18.695 3.783 1.00 0.00 C ATOM 375 O CYS A 438 -0.180 18.338 3.121 1.00 0.00 O ATOM 376 CB CYS A 438 -0.216 19.577 5.936 1.00 0.00 C ATOM 377 SG CYS A 438 0.484 18.393 7.143 1.00 0.00 S ATOM 0 H CYS A 438 -0.472 20.815 3.264 1.00 0.00 H new ATOM 0 HA CYS A 438 1.670 20.100 5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.441 20.510 6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -1.162 19.181 5.566 1.00 0.00 H new ATOM 382 N GLN A 439 1.984 18.115 3.742 1.00 0.00 N ATOM 383 CA GLN A 439 2.229 16.973 2.878 1.00 0.00 C ATOM 384 C GLN A 439 1.746 15.686 3.548 1.00 0.00 C ATOM 385 O GLN A 439 1.649 15.617 4.772 1.00 0.00 O ATOM 386 CB GLN A 439 3.711 16.874 2.506 1.00 0.00 C ATOM 387 CG GLN A 439 4.263 18.237 2.089 1.00 0.00 C ATOM 388 CD GLN A 439 5.528 18.080 1.242 1.00 0.00 C ATOM 389 OE1 GLN A 439 5.520 17.500 0.169 1.00 0.00 O ATOM 390 NE2 GLN A 439 6.613 18.630 1.782 1.00 0.00 N ATOM 0 H GLN A 439 2.789 18.414 4.293 1.00 0.00 H new ATOM 0 HA GLN A 439 1.665 17.113 1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 439 4.278 16.492 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 439 3.838 16.161 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 439 3.507 18.782 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 439 4.486 18.830 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 439 6.551 19.101 2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 439 7.507 18.580 1.293 1.00 0.00 H new ATOM 399 N CYS A 440 1.452 14.697 2.716 1.00 0.00 N ATOM 400 CA CYS A 440 0.980 13.416 3.212 1.00 0.00 C ATOM 401 C CYS A 440 2.196 12.548 3.537 1.00 0.00 C ATOM 402 O CYS A 440 3.282 12.769 3.001 1.00 0.00 O ATOM 403 CB CYS A 440 0.042 12.734 2.215 1.00 0.00 C ATOM 404 SG CYS A 440 0.496 12.959 0.456 1.00 0.00 S ATOM 0 H CYS A 440 1.532 14.758 1.701 1.00 0.00 H new ATOM 0 HA CYS A 440 0.392 13.569 4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 440 0.015 11.667 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 440 -0.967 13.117 2.367 1.00 0.00 H new ATOM 409 N LEU A 441 1.976 11.580 4.413 1.00 0.00 N ATOM 410 CA LEU A 441 3.041 10.677 4.817 1.00 0.00 C ATOM 411 C LEU A 441 2.720 9.265 4.328 1.00 0.00 C ATOM 412 O LEU A 441 1.583 8.808 4.442 1.00 0.00 O ATOM 413 CB LEU A 441 3.279 10.768 6.326 1.00 0.00 C ATOM 414 CG LEU A 441 4.724 10.581 6.790 1.00 0.00 C ATOM 415 CD1 LEU A 441 5.134 9.108 6.730 1.00 0.00 C ATOM 416 CD2 LEU A 441 5.676 11.474 5.993 1.00 0.00 C ATOM 0 H LEU A 441 1.075 11.400 4.855 1.00 0.00 H new ATOM 0 HA LEU A 441 3.983 10.968 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.931 11.742 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.661 10.017 6.817 1.00 0.00 H new ATOM 0 HG LEU A 441 4.790 10.891 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 441 6.166 9.004 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.481 8.522 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.047 8.748 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 441 6.697 11.321 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 441 5.613 11.220 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 441 5.397 12.519 6.132 1.00 0.00 H new ATOM 428 N GLN A 442 3.741 8.610 3.794 1.00 0.00 N ATOM 429 CA GLN A 442 3.582 7.257 3.288 1.00 0.00 C ATOM 430 C GLN A 442 2.292 7.145 2.471 1.00 0.00 C ATOM 431 O GLN A 442 2.248 7.562 1.315 1.00 0.00 O ATOM 432 CB GLN A 442 3.596 6.238 4.429 1.00 0.00 C ATOM 433 CG GLN A 442 5.022 5.999 4.930 1.00 0.00 C ATOM 434 CD GLN A 442 6.022 6.024 3.772 1.00 0.00 C ATOM 435 OE1 GLN A 442 6.523 7.229 3.518 1.00 0.00 O flip ATOM 436 NE2 GLN A 442 6.317 5.017 3.151 1.00 0.00 N flip ATOM 0 H GLN A 442 4.682 8.992 3.701 1.00 0.00 H new ATOM 0 HA GLN A 442 4.426 7.034 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 442 2.973 6.596 5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 442 3.164 5.297 4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 442 5.287 6.763 5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 442 5.075 5.037 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 442 5.894 4.123 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 442 6.987 5.069 2.383 1.00 0.00 H new ATOM 445 N GLY A 443 1.275 6.582 3.104 1.00 0.00 N ATOM 446 CA GLY A 443 -0.011 6.410 2.452 1.00 0.00 C ATOM 447 C GLY A 443 -1.125 7.100 3.242 1.00 0.00 C ATOM 448 O GLY A 443 -1.965 6.436 3.848 1.00 0.00 O ATOM 0 H GLY A 443 1.315 6.238 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 443 0.031 6.820 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 443 -0.234 5.347 2.355 1.00 0.00 H new ATOM 452 N TYR A 444 -1.096 8.424 3.210 1.00 0.00 N ATOM 453 CA TYR A 444 -2.092 9.211 3.917 1.00 0.00 C ATOM 454 C TYR A 444 -3.175 9.712 2.959 1.00 0.00 C ATOM 455 O TYR A 444 -2.969 9.749 1.748 1.00 0.00 O ATOM 456 CB TYR A 444 -1.345 10.415 4.496 1.00 0.00 C ATOM 457 CG TYR A 444 -1.046 10.299 5.992 1.00 0.00 C ATOM 458 CD1 TYR A 444 -0.374 9.197 6.479 1.00 0.00 C ATOM 459 CD2 TYR A 444 -1.447 11.300 6.855 1.00 0.00 C ATOM 460 CE1 TYR A 444 -0.092 9.088 7.886 1.00 0.00 C ATOM 461 CE2 TYR A 444 -1.165 11.191 8.263 1.00 0.00 C ATOM 462 CZ TYR A 444 -0.501 10.091 8.709 1.00 0.00 C ATOM 463 OH TYR A 444 -0.235 9.988 10.039 1.00 0.00 O ATOM 0 H TYR A 444 -0.399 8.972 2.706 1.00 0.00 H new ATOM 0 HA TYR A 444 -2.580 8.612 4.686 1.00 0.00 H new ATOM 0 HB2 TYR A 444 -0.406 10.541 3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 444 -1.936 11.314 4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 444 -0.059 8.415 5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 444 -1.972 12.164 6.474 1.00 0.00 H new ATOM 0 HE1 TYR A 444 0.432 8.230 8.279 1.00 0.00 H new ATOM 0 HE2 TYR A 444 -1.474 11.965 8.949 1.00 0.00 H new ATOM 0 HH TYR A 444 -0.584 10.777 10.504 1.00 0.00 H new ATOM 473 N THR A 445 -4.307 10.084 3.539 1.00 0.00 N ATOM 474 CA THR A 445 -5.424 10.581 2.753 1.00 0.00 C ATOM 475 C THR A 445 -5.509 12.104 2.851 1.00 0.00 C ATOM 476 O THR A 445 -4.542 12.804 2.554 1.00 0.00 O ATOM 477 CB THR A 445 -6.692 9.868 3.230 1.00 0.00 C ATOM 478 OG1 THR A 445 -7.746 10.544 2.549 1.00 0.00 O ATOM 479 CG2 THR A 445 -6.982 10.121 4.710 1.00 0.00 C ATOM 0 H THR A 445 -4.475 10.051 4.545 1.00 0.00 H new ATOM 0 HA THR A 445 -5.291 10.363 1.693 1.00 0.00 H new ATOM 0 HB THR A 445 -6.594 8.796 3.057 1.00 0.00 H new ATOM 0 HG1 THR A 445 -8.606 10.145 2.799 1.00 0.00 H new ATOM 0 HG21 THR A 445 -7.891 9.593 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 445 -6.147 9.760 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 445 -7.114 11.190 4.877 1.00 0.00 H new ATOM 487 N GLY A 446 -6.676 12.574 3.269 1.00 0.00 N ATOM 488 CA GLY A 446 -6.900 14.002 3.409 1.00 0.00 C ATOM 489 C GLY A 446 -7.187 14.649 2.052 1.00 0.00 C ATOM 490 O GLY A 446 -6.814 14.108 1.012 1.00 0.00 O ATOM 0 H GLY A 446 -7.476 11.991 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -7.738 14.178 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -6.024 14.468 3.860 1.00 0.00 H new ATOM 494 N PRO A 447 -7.864 15.827 2.108 1.00 0.00 N ATOM 495 CA PRO A 447 -8.204 16.552 0.896 1.00 0.00 C ATOM 496 C PRO A 447 -6.974 17.248 0.310 1.00 0.00 C ATOM 497 O PRO A 447 -6.920 17.511 -0.891 1.00 0.00 O ATOM 498 CB PRO A 447 -9.294 17.527 1.314 1.00 0.00 C ATOM 499 CG PRO A 447 -9.199 17.635 2.828 1.00 0.00 C ATOM 500 CD PRO A 447 -8.321 16.497 3.322 1.00 0.00 C ATOM 0 HA PRO A 447 -8.557 15.897 0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 447 -9.150 18.499 0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 447 -10.277 17.168 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 447 -8.775 18.597 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 447 -10.190 17.576 3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 447 -7.481 16.871 3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 447 -8.880 15.816 3.964 1.00 0.00 H new ATOM 508 N ARG A 448 -6.019 17.526 1.184 1.00 0.00 N ATOM 509 CA ARG A 448 -4.792 18.185 0.767 1.00 0.00 C ATOM 510 C ARG A 448 -3.612 17.214 0.849 1.00 0.00 C ATOM 511 O ARG A 448 -2.501 17.546 0.439 1.00 0.00 O ATOM 512 CB ARG A 448 -4.500 19.407 1.640 1.00 0.00 C ATOM 513 CG ARG A 448 -5.707 20.349 1.687 1.00 0.00 C ATOM 514 CD ARG A 448 -5.743 21.254 0.455 1.00 0.00 C ATOM 515 NE ARG A 448 -6.347 22.560 0.804 1.00 0.00 N ATOM 516 CZ ARG A 448 -7.675 22.789 0.858 1.00 0.00 C ATOM 517 NH1 ARG A 448 -8.553 21.801 0.586 1.00 0.00 N ATOM 518 NH2 ARG A 448 -8.103 23.995 1.182 1.00 0.00 N ATOM 0 H ARG A 448 -6.069 17.307 2.179 1.00 0.00 H new ATOM 0 HA ARG A 448 -4.926 18.512 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 448 -4.246 19.085 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 448 -3.633 19.940 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 448 -6.626 19.766 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 448 -5.662 20.959 2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 448 -4.733 21.402 0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 448 -6.318 20.778 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 448 -5.719 23.335 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 448 -8.214 20.872 0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 448 -9.556 21.983 0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 448 -7.433 24.736 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 448 -9.104 24.186 1.228 1.00 0.00 H new ATOM 531 N CYS A 449 -3.894 16.035 1.383 1.00 0.00 N ATOM 532 CA CYS A 449 -2.870 15.013 1.526 1.00 0.00 C ATOM 533 C CYS A 449 -2.168 15.222 2.868 1.00 0.00 C ATOM 534 O CYS A 449 -0.946 15.362 2.918 1.00 0.00 O ATOM 535 CB CYS A 449 -1.885 15.035 0.356 1.00 0.00 C ATOM 536 SG CYS A 449 -1.404 13.385 -0.273 1.00 0.00 S ATOM 0 H CYS A 449 -4.817 15.764 1.722 1.00 0.00 H new ATOM 0 HA CYS A 449 -3.331 14.025 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 449 -2.326 15.606 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 449 -0.985 15.566 0.667 1.00 0.00 H new ATOM 541 N GLU A 450 -2.968 15.236 3.924 1.00 0.00 N ATOM 542 CA GLU A 450 -2.438 15.424 5.263 1.00 0.00 C ATOM 543 C GLU A 450 -3.240 14.600 6.273 1.00 0.00 C ATOM 544 O GLU A 450 -3.027 14.711 7.479 1.00 0.00 O ATOM 545 CB GLU A 450 -2.431 16.906 5.647 1.00 0.00 C ATOM 546 CG GLU A 450 -3.092 17.756 4.560 1.00 0.00 C ATOM 547 CD GLU A 450 -4.590 17.461 4.468 1.00 0.00 C ATOM 548 OE1 GLU A 450 -5.012 16.642 3.639 1.00 0.00 O ATOM 549 OE2 GLU A 450 -5.328 18.115 5.301 1.00 0.00 O ATOM 0 H GLU A 450 -3.980 15.120 3.879 1.00 0.00 H new ATOM 0 HA GLU A 450 -1.406 15.074 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -2.957 17.043 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -1.405 17.241 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -2.939 18.813 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -2.619 17.556 3.599 1.00 0.00 H new ATOM 557 N ILE A 451 -4.147 13.793 5.742 1.00 0.00 N ATOM 558 CA ILE A 451 -4.982 12.952 6.582 1.00 0.00 C ATOM 559 C ILE A 451 -4.524 11.497 6.453 1.00 0.00 C ATOM 560 O ILE A 451 -4.070 11.078 5.390 1.00 0.00 O ATOM 561 CB ILE A 451 -6.460 13.163 6.249 1.00 0.00 C ATOM 562 CG1 ILE A 451 -6.932 14.546 6.701 1.00 0.00 C ATOM 563 CG2 ILE A 451 -7.320 12.043 6.840 1.00 0.00 C ATOM 564 CD1 ILE A 451 -5.852 15.601 6.453 1.00 0.00 C ATOM 0 H ILE A 451 -4.322 13.704 4.741 1.00 0.00 H new ATOM 0 HA ILE A 451 -4.872 13.230 7.630 1.00 0.00 H new ATOM 0 HB ILE A 451 -6.575 13.121 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 451 -7.841 14.818 6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 451 -7.184 14.520 7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 451 -8.366 12.217 6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 451 -7.002 11.085 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 451 -7.204 12.029 7.924 1.00 0.00 H new ATOM 0 HD11 ILE A 451 -6.213 16.575 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 451 -4.953 15.339 7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 451 -5.620 15.641 5.389 1.00 0.00 H new ATOM 576 N ASP A 452 -4.661 10.769 7.551 1.00 0.00 N ATOM 577 CA ASP A 452 -4.267 9.370 7.575 1.00 0.00 C ATOM 578 C ASP A 452 -5.512 8.492 7.431 1.00 0.00 C ATOM 579 O ASP A 452 -6.464 8.628 8.198 1.00 0.00 O ATOM 580 CB ASP A 452 -3.587 9.011 8.897 1.00 0.00 C ATOM 581 CG ASP A 452 -3.006 7.597 8.963 1.00 0.00 C ATOM 582 OD1 ASP A 452 -3.151 6.895 9.975 1.00 0.00 O ATOM 583 OD2 ASP A 452 -2.374 7.218 7.905 1.00 0.00 O ATOM 0 H ASP A 452 -5.039 11.121 8.430 1.00 0.00 H new ATOM 0 HA ASP A 452 -3.570 9.202 6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 452 -2.785 9.726 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 452 -4.310 9.128 9.704 1.00 0.00 H new ATOM 589 N VAL A 453 -5.464 7.610 6.445 1.00 0.00 N ATOM 590 CA VAL A 453 -6.576 6.708 6.190 1.00 0.00 C ATOM 591 C VAL A 453 -6.286 5.352 6.836 1.00 0.00 C ATOM 592 O VAL A 453 -5.160 5.090 7.258 1.00 0.00 O ATOM 593 CB VAL A 453 -6.838 6.612 4.685 1.00 0.00 C ATOM 594 CG1 VAL A 453 -5.527 6.468 3.909 1.00 0.00 C ATOM 595 CG2 VAL A 453 -7.793 5.459 4.369 1.00 0.00 C ATOM 0 H VAL A 453 -4.672 7.500 5.812 1.00 0.00 H new ATOM 0 HA VAL A 453 -7.491 7.092 6.641 1.00 0.00 H new ATOM 0 HB VAL A 453 -7.315 7.539 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.741 6.402 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -4.895 7.335 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -5.010 5.564 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -7.963 5.412 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -7.355 4.520 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -8.742 5.622 4.880 1.00 0.00 H new ATOM 605 N ASN A 454 -7.320 4.526 6.891 1.00 0.00 N ATOM 606 CA ASN A 454 -7.191 3.204 7.479 1.00 0.00 C ATOM 607 C ASN A 454 -7.058 2.165 6.362 1.00 0.00 C ATOM 608 O ASN A 454 -8.059 1.639 5.878 1.00 0.00 O ATOM 609 CB ASN A 454 -8.422 2.848 8.311 1.00 0.00 C ATOM 610 CG ASN A 454 -8.145 1.643 9.215 1.00 0.00 C ATOM 611 OD1 ASN A 454 -7.034 1.147 9.305 1.00 0.00 O ATOM 612 ND2 ASN A 454 -9.212 1.203 9.874 1.00 0.00 N ATOM 0 H ASN A 454 -8.251 4.747 6.538 1.00 0.00 H new ATOM 0 HA ASN A 454 -6.311 3.206 8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 454 -8.714 3.704 8.920 1.00 0.00 H new ATOM 0 HB3 ASN A 454 -9.260 2.626 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 454 -9.130 0.403 10.502 1.00 0.00 H new ATOM 0 HD22 ASN A 454 -10.113 1.665 9.752 1.00 0.00 H new ATOM 619 N GLU A 455 -5.816 1.904 5.984 1.00 0.00 N ATOM 620 CA GLU A 455 -5.542 0.939 4.932 1.00 0.00 C ATOM 621 C GLU A 455 -5.979 -0.461 5.370 1.00 0.00 C ATOM 622 O GLU A 455 -5.923 -1.406 4.586 1.00 0.00 O ATOM 623 CB GLU A 455 -4.061 0.955 4.546 1.00 0.00 C ATOM 624 CG GLU A 455 -3.189 1.359 5.737 1.00 0.00 C ATOM 625 CD GLU A 455 -2.976 2.874 5.773 1.00 0.00 C ATOM 626 OE1 GLU A 455 -3.933 3.638 5.583 1.00 0.00 O ATOM 627 OE2 GLU A 455 -1.765 3.249 6.007 1.00 0.00 O ATOM 0 H GLU A 455 -4.988 2.343 6.387 1.00 0.00 H new ATOM 0 HA GLU A 455 -6.117 1.219 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 455 -3.763 -0.032 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 455 -3.904 1.651 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 455 -3.660 1.032 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 455 -2.225 0.854 5.674 1.00 0.00 H new ATOM 635 N CYS A 456 -6.404 -0.549 6.622 1.00 0.00 N ATOM 636 CA CYS A 456 -6.850 -1.817 7.174 1.00 0.00 C ATOM 637 C CYS A 456 -8.346 -1.967 6.886 1.00 0.00 C ATOM 638 O CYS A 456 -9.001 -2.854 7.432 1.00 0.00 O ATOM 639 CB CYS A 456 -6.542 -1.925 8.668 1.00 0.00 C ATOM 640 SG CYS A 456 -7.280 -3.377 9.502 1.00 0.00 S ATOM 0 H CYS A 456 -6.449 0.237 7.270 1.00 0.00 H new ATOM 0 HA CYS A 456 -6.306 -2.634 6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 456 -5.461 -1.959 8.800 1.00 0.00 H new ATOM 0 HB3 CYS A 456 -6.895 -1.021 9.164 1.00 0.00 H new ATOM 645 N VAL A 457 -8.842 -1.084 6.031 1.00 0.00 N ATOM 646 CA VAL A 457 -10.248 -1.106 5.665 1.00 0.00 C ATOM 647 C VAL A 457 -10.386 -1.569 4.212 1.00 0.00 C ATOM 648 O VAL A 457 -11.440 -2.058 3.811 1.00 0.00 O ATOM 649 CB VAL A 457 -10.876 0.265 5.919 1.00 0.00 C ATOM 650 CG1 VAL A 457 -10.619 0.731 7.353 1.00 0.00 C ATOM 651 CG2 VAL A 457 -10.368 1.296 4.907 1.00 0.00 C ATOM 0 H VAL A 457 -8.295 -0.349 5.582 1.00 0.00 H new ATOM 0 HA VAL A 457 -10.793 -1.818 6.285 1.00 0.00 H new ATOM 0 HB VAL A 457 -11.954 0.169 5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 457 -11.077 1.708 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 457 -11.052 0.015 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 457 -9.545 0.802 7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 457 -10.830 2.262 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 457 -9.285 1.386 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 457 -10.627 0.974 3.898 1.00 0.00 H new ATOM 661 N SER A 458 -9.305 -1.396 3.466 1.00 0.00 N ATOM 662 CA SER A 458 -9.292 -1.789 2.067 1.00 0.00 C ATOM 663 C SER A 458 -8.280 -2.916 1.849 1.00 0.00 C ATOM 664 O SER A 458 -8.208 -3.490 0.764 1.00 0.00 O ATOM 665 CB SER A 458 -8.964 -0.599 1.164 1.00 0.00 C ATOM 666 OG SER A 458 -7.877 0.173 1.670 1.00 0.00 O ATOM 0 H SER A 458 -8.433 -0.989 3.803 1.00 0.00 H new ATOM 0 HA SER A 458 -10.287 -2.147 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 458 -8.719 -0.959 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 458 -9.845 0.036 1.067 1.00 0.00 H new ATOM 0 HG SER A 458 -7.068 -0.379 1.695 1.00 0.00 H new ATOM 672 N ASN A 459 -7.523 -3.199 2.900 1.00 0.00 N ATOM 673 CA ASN A 459 -6.518 -4.247 2.837 1.00 0.00 C ATOM 674 C ASN A 459 -6.515 -5.023 4.155 1.00 0.00 C ATOM 675 O ASN A 459 -5.496 -5.083 4.842 1.00 0.00 O ATOM 676 CB ASN A 459 -5.121 -3.658 2.632 1.00 0.00 C ATOM 677 CG ASN A 459 -5.157 -2.490 1.644 1.00 0.00 C ATOM 678 OD1 ASN A 459 -5.796 -1.416 2.098 1.00 0.00 O flip ATOM 679 ND2 ASN A 459 -4.638 -2.560 0.541 1.00 0.00 N flip ATOM 0 H ASN A 459 -7.586 -2.721 3.799 1.00 0.00 H new ATOM 0 HA ASN A 459 -6.761 -4.899 1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 459 -4.722 -3.318 3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 459 -4.447 -4.431 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 459 -4.162 -3.416 0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 459 -4.680 -1.763 -0.094 1.00 0.00 H new ATOM 686 N PRO A 460 -7.697 -5.614 4.476 1.00 0.00 N ATOM 687 CA PRO A 460 -7.839 -6.385 5.699 1.00 0.00 C ATOM 688 C PRO A 460 -7.153 -7.748 5.572 1.00 0.00 C ATOM 689 O PRO A 460 -7.123 -8.523 6.527 1.00 0.00 O ATOM 690 CB PRO A 460 -9.339 -6.494 5.923 1.00 0.00 C ATOM 691 CG PRO A 460 -9.984 -6.186 4.582 1.00 0.00 C ATOM 692 CD PRO A 460 -8.923 -5.565 3.686 1.00 0.00 C ATOM 0 HA PRO A 460 -7.355 -5.911 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 460 -9.611 -7.492 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 460 -9.672 -5.791 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 460 -10.380 -7.096 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 460 -10.823 -5.502 4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 460 -8.816 -6.121 2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 460 -9.181 -4.540 3.418 1.00 0.00 H new ATOM 700 N CYS A 461 -6.619 -7.997 4.386 1.00 0.00 N ATOM 701 CA CYS A 461 -5.935 -9.252 4.122 1.00 0.00 C ATOM 702 C CYS A 461 -6.989 -10.349 3.961 1.00 0.00 C ATOM 703 O CYS A 461 -6.684 -11.532 4.097 1.00 0.00 O ATOM 704 CB CYS A 461 -4.925 -9.587 5.222 1.00 0.00 C ATOM 705 SG CYS A 461 -3.484 -10.568 4.666 1.00 0.00 S ATOM 0 H CYS A 461 -6.646 -7.351 3.597 1.00 0.00 H new ATOM 0 HA CYS A 461 -5.357 -9.168 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -4.566 -8.657 5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -5.438 -10.136 6.012 1.00 0.00 H new ATOM 710 N GLN A 462 -8.208 -9.916 3.673 1.00 0.00 N ATOM 711 CA GLN A 462 -9.309 -10.846 3.492 1.00 0.00 C ATOM 712 C GLN A 462 -9.924 -11.211 4.845 1.00 0.00 C ATOM 713 O GLN A 462 -10.056 -10.358 5.721 1.00 0.00 O ATOM 714 CB GLN A 462 -8.851 -12.099 2.742 1.00 0.00 C ATOM 715 CG GLN A 462 -10.009 -12.729 1.966 1.00 0.00 C ATOM 716 CD GLN A 462 -9.797 -14.233 1.789 1.00 0.00 C ATOM 717 OE1 GLN A 462 -8.520 -14.592 1.687 1.00 0.00 O flip ATOM 718 NE2 GLN A 462 -10.731 -15.017 1.747 1.00 0.00 N flip ATOM 0 H GLN A 462 -8.457 -8.933 3.561 1.00 0.00 H new ATOM 0 HA GLN A 462 -10.074 -10.359 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -8.046 -11.841 2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -8.447 -12.823 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -10.945 -12.550 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -10.098 -12.253 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -11.688 -14.675 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -10.555 -16.014 1.627 1.00 0.00 H new ATOM 727 N ASN A 463 -10.285 -12.479 4.972 1.00 0.00 N ATOM 728 CA ASN A 463 -10.883 -12.967 6.203 1.00 0.00 C ATOM 729 C ASN A 463 -9.967 -14.022 6.826 1.00 0.00 C ATOM 730 O ASN A 463 -10.263 -14.552 7.898 1.00 0.00 O ATOM 731 CB ASN A 463 -12.241 -13.619 5.936 1.00 0.00 C ATOM 732 CG ASN A 463 -12.090 -14.858 5.050 1.00 0.00 C ATOM 733 OD1 ASN A 463 -12.162 -14.603 3.747 1.00 0.00 O flip ATOM 734 ND2 ASN A 463 -11.918 -15.971 5.520 1.00 0.00 N flip ATOM 0 H ASN A 463 -10.175 -13.184 4.243 1.00 0.00 H new ATOM 0 HA ASN A 463 -11.017 -12.117 6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -12.707 -13.898 6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -12.904 -12.901 5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -11.873 -16.096 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -11.820 -16.776 4.902 1.00 0.00 H new ATOM 741 N ASP A 464 -8.873 -14.296 6.132 1.00 0.00 N ATOM 742 CA ASP A 464 -7.912 -15.279 6.603 1.00 0.00 C ATOM 743 C ASP A 464 -6.576 -14.586 6.881 1.00 0.00 C ATOM 744 O ASP A 464 -5.541 -14.996 6.357 1.00 0.00 O ATOM 745 CB ASP A 464 -7.673 -16.365 5.553 1.00 0.00 C ATOM 746 CG ASP A 464 -8.760 -17.438 5.474 1.00 0.00 C ATOM 747 OD1 ASP A 464 -9.512 -17.658 6.434 1.00 0.00 O ATOM 748 OD2 ASP A 464 -8.818 -18.074 4.351 1.00 0.00 O ATOM 0 H ASP A 464 -8.630 -13.854 5.246 1.00 0.00 H new ATOM 0 HA ASP A 464 -8.313 -15.736 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 464 -7.580 -15.891 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 464 -6.720 -16.850 5.764 1.00 0.00 H new ATOM 754 N ALA A 465 -6.643 -13.550 7.702 1.00 0.00 N ATOM 755 CA ALA A 465 -5.452 -12.797 8.056 1.00 0.00 C ATOM 756 C ALA A 465 -5.847 -11.611 8.937 1.00 0.00 C ATOM 757 O ALA A 465 -6.628 -10.756 8.522 1.00 0.00 O ATOM 758 CB ALA A 465 -4.728 -12.360 6.782 1.00 0.00 C ATOM 0 H ALA A 465 -7.504 -13.213 8.133 1.00 0.00 H new ATOM 0 HA ALA A 465 -4.762 -13.417 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -3.834 -11.795 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -4.443 -13.240 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -5.390 -11.733 6.184 1.00 0.00 H new ATOM 764 N THR A 466 -5.289 -11.596 10.140 1.00 0.00 N ATOM 765 CA THR A 466 -5.573 -10.528 11.083 1.00 0.00 C ATOM 766 C THR A 466 -5.005 -9.201 10.574 1.00 0.00 C ATOM 767 O THR A 466 -3.793 -8.991 10.596 1.00 0.00 O ATOM 768 CB THR A 466 -5.016 -10.943 12.447 1.00 0.00 C ATOM 769 OG1 THR A 466 -6.144 -11.483 13.131 1.00 0.00 O ATOM 770 CG2 THR A 466 -4.602 -9.741 13.300 1.00 0.00 C ATOM 0 H THR A 466 -4.642 -12.306 10.482 1.00 0.00 H new ATOM 0 HA THR A 466 -6.646 -10.367 11.187 1.00 0.00 H new ATOM 0 HB THR A 466 -4.158 -11.600 12.305 1.00 0.00 H new ATOM 0 HG1 THR A 466 -5.873 -11.779 14.025 1.00 0.00 H new ATOM 0 HG21 THR A 466 -4.214 -10.090 14.257 1.00 0.00 H new ATOM 0 HG22 THR A 466 -3.829 -9.175 12.780 1.00 0.00 H new ATOM 0 HG23 THR A 466 -5.468 -9.101 13.471 1.00 0.00 H new ATOM 778 N CYS A 467 -5.908 -8.340 10.127 1.00 0.00 N ATOM 779 CA CYS A 467 -5.514 -7.041 9.613 1.00 0.00 C ATOM 780 C CYS A 467 -4.874 -6.247 10.755 1.00 0.00 C ATOM 781 O CYS A 467 -5.041 -6.592 11.924 1.00 0.00 O ATOM 782 CB CYS A 467 -6.696 -6.294 8.992 1.00 0.00 C ATOM 783 SG CYS A 467 -6.295 -4.636 8.331 1.00 0.00 S ATOM 0 H CYS A 467 -6.912 -8.518 10.111 1.00 0.00 H new ATOM 0 HA CYS A 467 -4.789 -7.171 8.809 1.00 0.00 H new ATOM 0 HB2 CYS A 467 -7.108 -6.901 8.186 1.00 0.00 H new ATOM 0 HB3 CYS A 467 -7.478 -6.190 9.744 1.00 0.00 H new ATOM 788 N LEU A 468 -4.156 -5.200 10.375 1.00 0.00 N ATOM 789 CA LEU A 468 -3.491 -4.354 11.352 1.00 0.00 C ATOM 790 C LEU A 468 -2.954 -3.103 10.656 1.00 0.00 C ATOM 791 O LEU A 468 -1.823 -3.094 10.174 1.00 0.00 O ATOM 792 CB LEU A 468 -2.421 -5.147 12.106 1.00 0.00 C ATOM 793 CG LEU A 468 -2.752 -5.513 13.555 1.00 0.00 C ATOM 794 CD1 LEU A 468 -1.477 -5.751 14.365 1.00 0.00 C ATOM 795 CD2 LEU A 468 -3.651 -4.454 14.196 1.00 0.00 C ATOM 0 H LEU A 468 -4.020 -4.918 9.404 1.00 0.00 H new ATOM 0 HA LEU A 468 -4.199 -4.017 12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -2.224 -6.067 11.556 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -1.497 -4.568 12.100 1.00 0.00 H new ATOM 0 HG LEU A 468 -3.310 -6.449 13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.740 -6.009 15.391 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -0.910 -6.568 13.919 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -0.871 -4.845 14.363 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -3.871 -4.738 15.225 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -3.142 -3.490 14.187 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -4.582 -4.378 13.634 1.00 0.00 H new ATOM 807 N ASP A 469 -3.791 -2.076 10.627 1.00 0.00 N ATOM 808 CA ASP A 469 -3.414 -0.821 9.998 1.00 0.00 C ATOM 809 C ASP A 469 -2.449 -0.067 10.913 1.00 0.00 C ATOM 810 O ASP A 469 -2.494 -0.220 12.132 1.00 0.00 O ATOM 811 CB ASP A 469 -4.638 0.068 9.765 1.00 0.00 C ATOM 812 CG ASP A 469 -4.416 1.556 10.035 1.00 0.00 C ATOM 813 OD1 ASP A 469 -4.878 2.098 11.050 1.00 0.00 O ATOM 814 OD2 ASP A 469 -3.726 2.177 9.139 1.00 0.00 O ATOM 0 H ASP A 469 -4.728 -2.087 11.029 1.00 0.00 H new ATOM 0 HA ASP A 469 -2.948 -1.051 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 469 -4.966 -0.054 8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 469 -5.450 -0.284 10.401 1.00 0.00 H new ATOM 820 N GLN A 470 -1.596 0.733 10.289 1.00 0.00 N ATOM 821 CA GLN A 470 -0.620 1.514 11.033 1.00 0.00 C ATOM 822 C GLN A 470 -0.251 2.779 10.260 1.00 0.00 C ATOM 823 O GLN A 470 -0.968 3.183 9.345 1.00 0.00 O ATOM 824 CB GLN A 470 0.624 0.680 11.346 1.00 0.00 C ATOM 825 CG GLN A 470 0.639 -0.612 10.526 1.00 0.00 C ATOM 826 CD GLN A 470 0.825 -1.834 11.430 1.00 0.00 C ATOM 827 OE1 GLN A 470 -0.307 -2.296 11.953 1.00 0.00 O flip ATOM 828 NE2 GLN A 470 1.923 -2.322 11.638 1.00 0.00 N flip ATOM 0 H GLN A 470 -1.560 0.857 9.277 1.00 0.00 H new ATOM 0 HA GLN A 470 -1.068 1.810 11.982 1.00 0.00 H new ATOM 0 HB2 GLN A 470 1.520 1.262 11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 470 0.648 0.440 12.409 1.00 0.00 H new ATOM 0 HG2 GLN A 470 -0.294 -0.705 9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 470 1.444 -0.572 9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 470 2.752 -1.916 11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 470 2.012 -3.136 12.246 1.00 0.00 H new ATOM 837 N ILE A 471 0.867 3.371 10.652 1.00 0.00 N ATOM 838 CA ILE A 471 1.340 4.584 10.006 1.00 0.00 C ATOM 839 C ILE A 471 1.429 4.351 8.498 1.00 0.00 C ATOM 840 O ILE A 471 2.175 3.485 8.042 1.00 0.00 O ATOM 841 CB ILE A 471 2.654 5.047 10.635 1.00 0.00 C ATOM 842 CG1 ILE A 471 3.480 3.855 11.123 1.00 0.00 C ATOM 843 CG2 ILE A 471 2.401 6.063 11.752 1.00 0.00 C ATOM 844 CD1 ILE A 471 3.610 2.794 10.028 1.00 0.00 C ATOM 0 H ILE A 471 1.460 3.033 11.410 1.00 0.00 H new ATOM 0 HA ILE A 471 0.634 5.400 10.162 1.00 0.00 H new ATOM 0 HB ILE A 471 3.239 5.552 9.866 1.00 0.00 H new ATOM 0 HG12 ILE A 471 4.471 4.194 11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 471 3.010 3.418 12.004 1.00 0.00 H new ATOM 0 HG21 ILE A 471 3.353 6.375 12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 471 1.885 6.932 11.344 1.00 0.00 H new ATOM 0 HG23 ILE A 471 1.785 5.606 12.527 1.00 0.00 H new ATOM 0 HD11 ILE A 471 4.201 1.958 10.400 1.00 0.00 H new ATOM 0 HD12 ILE A 471 2.619 2.440 9.745 1.00 0.00 H new ATOM 0 HD13 ILE A 471 4.103 3.228 9.158 1.00 0.00 H new ATOM 856 N GLY A 472 0.657 5.138 7.763 1.00 0.00 N ATOM 857 CA GLY A 472 0.639 5.029 6.314 1.00 0.00 C ATOM 858 C GLY A 472 1.054 3.627 5.866 1.00 0.00 C ATOM 859 O GLY A 472 1.803 3.474 4.902 1.00 0.00 O ATOM 0 H GLY A 472 0.039 5.854 8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -0.360 5.253 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 472 1.314 5.768 5.882 1.00 0.00 H new ATOM 863 N GLU A 473 0.547 2.636 6.585 1.00 0.00 N ATOM 864 CA GLU A 473 0.853 1.251 6.272 1.00 0.00 C ATOM 865 C GLU A 473 -0.059 0.312 7.065 1.00 0.00 C ATOM 866 O GLU A 473 -0.561 0.680 8.127 1.00 0.00 O ATOM 867 CB GLU A 473 2.327 0.941 6.544 1.00 0.00 C ATOM 868 CG GLU A 473 2.522 0.412 7.966 1.00 0.00 C ATOM 869 CD GLU A 473 3.978 0.565 8.413 1.00 0.00 C ATOM 870 OE1 GLU A 473 4.744 1.312 7.786 1.00 0.00 O ATOM 871 OE2 GLU A 473 4.305 -0.126 9.453 1.00 0.00 O ATOM 0 H GLU A 473 -0.074 2.765 7.384 1.00 0.00 H new ATOM 0 HA GLU A 473 0.671 1.091 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 473 2.686 0.204 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 473 2.924 1.842 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 473 1.869 0.952 8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 473 2.233 -0.638 8.010 1.00 0.00 H new ATOM 879 N PHE A 474 -0.247 -0.880 6.520 1.00 0.00 N ATOM 880 CA PHE A 474 -1.090 -1.872 7.163 1.00 0.00 C ATOM 881 C PHE A 474 -0.430 -3.252 7.138 1.00 0.00 C ATOM 882 O PHE A 474 0.176 -3.637 6.139 1.00 0.00 O ATOM 883 CB PHE A 474 -2.397 -1.932 6.370 1.00 0.00 C ATOM 884 CG PHE A 474 -2.314 -2.776 5.095 1.00 0.00 C ATOM 885 CD1 PHE A 474 -2.396 -4.130 5.171 1.00 0.00 C ATOM 886 CD2 PHE A 474 -2.158 -2.169 3.888 1.00 0.00 C ATOM 887 CE1 PHE A 474 -2.319 -4.914 3.989 1.00 0.00 C ATOM 888 CE2 PHE A 474 -2.081 -2.953 2.705 1.00 0.00 C ATOM 889 CZ PHE A 474 -2.163 -4.307 2.781 1.00 0.00 C ATOM 0 H PHE A 474 0.170 -1.181 5.639 1.00 0.00 H new ATOM 0 HA PHE A 474 -1.258 -1.597 8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 474 -3.180 -2.337 7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 474 -2.695 -0.918 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 474 -2.520 -4.610 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 474 -2.093 -1.093 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 474 -2.384 -5.990 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 474 -1.957 -2.472 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 474 -2.104 -4.902 1.882 1.00 0.00 H new ATOM 899 N GLN A 475 -0.568 -3.961 8.249 1.00 0.00 N ATOM 900 CA GLN A 475 0.006 -5.290 8.368 1.00 0.00 C ATOM 901 C GLN A 475 -1.085 -6.316 8.681 1.00 0.00 C ATOM 902 O GLN A 475 -2.031 -6.017 9.408 1.00 0.00 O ATOM 903 CB GLN A 475 1.107 -5.318 9.429 1.00 0.00 C ATOM 904 CG GLN A 475 0.509 -5.353 10.837 1.00 0.00 C ATOM 905 CD GLN A 475 1.532 -5.863 11.855 1.00 0.00 C ATOM 906 OE1 GLN A 475 2.380 -5.134 12.339 1.00 0.00 O ATOM 907 NE2 GLN A 475 1.404 -7.153 12.149 1.00 0.00 N ATOM 0 H GLN A 475 -1.070 -3.639 9.076 1.00 0.00 H new ATOM 0 HA GLN A 475 0.460 -5.554 7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 475 1.741 -6.191 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 475 1.743 -4.439 9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 475 0.176 -4.354 11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -0.371 -5.997 10.846 1.00 0.00 H new ATOM 0 HE21 GLN A 475 0.670 -7.707 11.706 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.039 -7.589 12.817 1.00 0.00 H new ATOM 916 N CYS A 476 -0.916 -7.501 8.116 1.00 0.00 N ATOM 917 CA CYS A 476 -1.876 -8.574 8.327 1.00 0.00 C ATOM 918 C CYS A 476 -1.116 -9.810 8.810 1.00 0.00 C ATOM 919 O CYS A 476 -0.047 -10.127 8.293 1.00 0.00 O ATOM 920 CB CYS A 476 -2.688 -8.861 7.063 1.00 0.00 C ATOM 921 SG CYS A 476 -1.796 -9.804 5.774 1.00 0.00 S ATOM 0 H CYS A 476 -0.130 -7.744 7.513 1.00 0.00 H new ATOM 0 HA CYS A 476 -2.600 -8.275 9.085 1.00 0.00 H new ATOM 0 HB2 CYS A 476 -3.585 -9.414 7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 476 -3.018 -7.913 6.637 1.00 0.00 H new ATOM 926 N ILE A 477 -1.699 -10.474 9.798 1.00 0.00 N ATOM 927 CA ILE A 477 -1.090 -11.670 10.357 1.00 0.00 C ATOM 928 C ILE A 477 -1.820 -12.905 9.825 1.00 0.00 C ATOM 929 O ILE A 477 -3.001 -13.102 10.108 1.00 0.00 O ATOM 930 CB ILE A 477 -1.051 -11.587 11.884 1.00 0.00 C ATOM 931 CG1 ILE A 477 -0.001 -10.578 12.352 1.00 0.00 C ATOM 932 CG2 ILE A 477 -0.836 -12.969 12.502 1.00 0.00 C ATOM 933 CD1 ILE A 477 1.346 -10.835 11.674 1.00 0.00 C ATOM 0 H ILE A 477 -2.586 -10.207 10.225 1.00 0.00 H new ATOM 0 HA ILE A 477 -0.051 -11.753 10.039 1.00 0.00 H new ATOM 0 HB ILE A 477 -2.019 -11.227 12.232 1.00 0.00 H new ATOM 0 HG12 ILE A 477 -0.338 -9.566 12.127 1.00 0.00 H new ATOM 0 HG13 ILE A 477 0.114 -10.643 13.434 1.00 0.00 H new ATOM 0 HG21 ILE A 477 -0.812 -12.882 13.588 1.00 0.00 H new ATOM 0 HG22 ILE A 477 -1.652 -13.630 12.209 1.00 0.00 H new ATOM 0 HG23 ILE A 477 0.109 -13.382 12.150 1.00 0.00 H new ATOM 0 HD11 ILE A 477 2.075 -10.104 12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 477 1.692 -11.839 11.921 1.00 0.00 H new ATOM 0 HD13 ILE A 477 1.232 -10.745 10.594 1.00 0.00 H new ATOM 945 N CYS A 478 -1.086 -13.705 9.066 1.00 0.00 N ATOM 946 CA CYS A 478 -1.650 -14.916 8.493 1.00 0.00 C ATOM 947 C CYS A 478 -0.992 -16.120 9.171 1.00 0.00 C ATOM 948 O CYS A 478 -0.194 -15.957 10.092 1.00 0.00 O ATOM 949 CB CYS A 478 -1.479 -14.955 6.974 1.00 0.00 C ATOM 950 SG CYS A 478 -0.533 -13.554 6.271 1.00 0.00 S ATOM 0 H CYS A 478 -0.107 -13.539 8.834 1.00 0.00 H new ATOM 0 HA CYS A 478 -2.725 -14.940 8.674 1.00 0.00 H new ATOM 0 HB2 CYS A 478 -0.979 -15.885 6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 478 -2.466 -14.977 6.512 1.00 0.00 H new ATOM 955 N MET A 479 -1.353 -17.299 8.690 1.00 0.00 N ATOM 956 CA MET A 479 -0.807 -18.531 9.238 1.00 0.00 C ATOM 957 C MET A 479 0.538 -18.869 8.594 1.00 0.00 C ATOM 958 O MET A 479 0.796 -18.494 7.452 1.00 0.00 O ATOM 959 CB MET A 479 -1.792 -19.676 8.999 1.00 0.00 C ATOM 960 CG MET A 479 -3.136 -19.397 9.675 1.00 0.00 C ATOM 961 SD MET A 479 -3.256 -20.321 11.198 1.00 0.00 S ATOM 962 CE MET A 479 -4.625 -19.470 11.968 1.00 0.00 C ATOM 0 H MET A 479 -2.017 -17.429 7.927 1.00 0.00 H new ATOM 0 HA MET A 479 -0.650 -18.393 10.308 1.00 0.00 H new ATOM 0 HB2 MET A 479 -1.942 -19.813 7.928 1.00 0.00 H new ATOM 0 HB3 MET A 479 -1.374 -20.606 9.384 1.00 0.00 H new ATOM 0 HG2 MET A 479 -3.236 -18.331 9.878 1.00 0.00 H new ATOM 0 HG3 MET A 479 -3.952 -19.672 9.007 1.00 0.00 H new ATOM 0 HE1 MET A 479 -4.836 -19.922 12.937 1.00 0.00 H new ATOM 0 HE2 MET A 479 -4.369 -18.419 12.106 1.00 0.00 H new ATOM 0 HE3 MET A 479 -5.506 -19.548 11.332 1.00 0.00 H new ATOM 972 N PRO A 480 1.383 -19.594 9.375 1.00 0.00 N ATOM 973 CA PRO A 480 2.696 -19.987 8.894 1.00 0.00 C ATOM 974 C PRO A 480 2.589 -21.134 7.887 1.00 0.00 C ATOM 975 O PRO A 480 3.213 -22.179 8.062 1.00 0.00 O ATOM 976 CB PRO A 480 3.477 -20.364 10.143 1.00 0.00 C ATOM 977 CG PRO A 480 2.438 -20.613 11.224 1.00 0.00 C ATOM 978 CD PRO A 480 1.112 -20.056 10.734 1.00 0.00 C ATOM 0 HA PRO A 480 3.202 -19.188 8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 480 4.083 -21.254 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 480 4.159 -19.565 10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 480 2.351 -21.680 11.431 1.00 0.00 H new ATOM 0 HG3 PRO A 480 2.734 -20.131 12.156 1.00 0.00 H new ATOM 0 HD2 PRO A 480 0.334 -20.819 10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 480 0.767 -19.240 11.368 1.00 0.00 H new ATOM 986 N GLY A 481 1.792 -20.900 6.854 1.00 0.00 N ATOM 987 CA GLY A 481 1.596 -21.901 5.818 1.00 0.00 C ATOM 988 C GLY A 481 1.328 -21.242 4.464 1.00 0.00 C ATOM 989 O GLY A 481 1.866 -21.671 3.444 1.00 0.00 O ATOM 0 H GLY A 481 1.275 -20.032 6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 481 2.479 -22.536 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 481 0.759 -22.547 6.084 1.00 0.00 H new ATOM 993 N TYR A 482 0.500 -20.209 4.496 1.00 0.00 N ATOM 994 CA TYR A 482 0.155 -19.486 3.282 1.00 0.00 C ATOM 995 C TYR A 482 0.788 -18.094 3.276 1.00 0.00 C ATOM 996 O TYR A 482 1.337 -17.652 4.284 1.00 0.00 O ATOM 997 CB TYR A 482 -1.368 -19.341 3.296 1.00 0.00 C ATOM 998 CG TYR A 482 -2.118 -20.621 2.928 1.00 0.00 C ATOM 999 CD1 TYR A 482 -2.352 -21.587 3.887 1.00 0.00 C ATOM 1000 CD2 TYR A 482 -2.563 -20.813 1.634 1.00 0.00 C ATOM 1001 CE1 TYR A 482 -3.058 -22.791 3.539 1.00 0.00 C ATOM 1002 CE2 TYR A 482 -3.269 -22.020 1.287 1.00 0.00 C ATOM 1003 CZ TYR A 482 -3.482 -22.949 2.257 1.00 0.00 C ATOM 1004 OH TYR A 482 -4.149 -24.088 1.929 1.00 0.00 O ATOM 0 H TYR A 482 0.057 -19.854 5.344 1.00 0.00 H new ATOM 0 HA TYR A 482 0.516 -20.018 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 482 -1.683 -19.020 4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 482 -1.654 -18.552 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 482 -2.005 -21.438 4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 482 -2.382 -20.058 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 482 -3.247 -23.553 4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 482 -3.621 -22.183 0.279 1.00 0.00 H new ATOM 0 HH TYR A 482 -4.392 -24.063 0.980 1.00 0.00 H new ATOM 1014 N GLU A 483 0.692 -17.441 2.127 1.00 0.00 N ATOM 1015 CA GLU A 483 1.248 -16.108 1.975 1.00 0.00 C ATOM 1016 C GLU A 483 0.504 -15.343 0.879 1.00 0.00 C ATOM 1017 O GLU A 483 -0.424 -15.872 0.270 1.00 0.00 O ATOM 1018 CB GLU A 483 2.748 -16.170 1.678 1.00 0.00 C ATOM 1019 CG GLU A 483 3.494 -15.034 2.381 1.00 0.00 C ATOM 1020 CD GLU A 483 4.928 -15.445 2.718 1.00 0.00 C ATOM 1021 OE1 GLU A 483 5.605 -16.072 1.888 1.00 0.00 O ATOM 1022 OE2 GLU A 483 5.337 -15.091 3.889 1.00 0.00 O ATOM 0 H GLU A 483 0.237 -17.811 1.292 1.00 0.00 H new ATOM 0 HA GLU A 483 1.118 -15.573 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 483 3.148 -17.130 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 483 2.912 -16.107 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 483 3.506 -14.152 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 483 2.967 -14.759 3.294 1.00 0.00 H new ATOM 1030 N GLY A 484 0.939 -14.111 0.662 1.00 0.00 N ATOM 1031 CA GLY A 484 0.324 -13.268 -0.351 1.00 0.00 C ATOM 1032 C GLY A 484 -0.206 -11.972 0.263 1.00 0.00 C ATOM 1033 O GLY A 484 -0.050 -11.739 1.461 1.00 0.00 O ATOM 0 H GLY A 484 1.709 -13.676 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 484 1.053 -13.035 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -0.492 -13.807 -0.832 1.00 0.00 H new ATOM 1037 N VAL A 485 -0.825 -11.162 -0.584 1.00 0.00 N ATOM 1038 CA VAL A 485 -1.381 -9.896 -0.140 1.00 0.00 C ATOM 1039 C VAL A 485 -2.578 -10.163 0.774 1.00 0.00 C ATOM 1040 O VAL A 485 -2.815 -9.418 1.725 1.00 0.00 O ATOM 1041 CB VAL A 485 -1.733 -9.026 -1.348 1.00 0.00 C ATOM 1042 CG1 VAL A 485 -3.174 -8.518 -1.257 1.00 0.00 C ATOM 1043 CG2 VAL A 485 -0.750 -7.864 -1.492 1.00 0.00 C ATOM 0 H VAL A 485 -0.953 -11.359 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 485 -0.646 -9.339 0.441 1.00 0.00 H new ATOM 0 HB VAL A 485 -1.652 -9.645 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 485 -3.398 -7.902 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 485 -3.858 -9.366 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 485 -3.294 -7.923 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 485 -1.023 -7.262 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 485 -0.784 -7.246 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 485 0.259 -8.255 -1.626 1.00 0.00 H new ATOM 1053 N HIS A 486 -3.301 -11.226 0.456 1.00 0.00 N ATOM 1054 CA HIS A 486 -4.466 -11.601 1.237 1.00 0.00 C ATOM 1055 C HIS A 486 -4.158 -12.860 2.048 1.00 0.00 C ATOM 1056 O HIS A 486 -5.002 -13.336 2.806 1.00 0.00 O ATOM 1057 CB HIS A 486 -5.695 -11.760 0.338 1.00 0.00 C ATOM 1058 CG HIS A 486 -5.544 -11.124 -1.024 1.00 0.00 C ATOM 1059 ND1 HIS A 486 -4.754 -11.463 -2.082 1.00 0.00 N flip ATOM 1060 CD2 HIS A 486 -6.260 -10.006 -1.413 1.00 0.00 C flip ATOM 1061 CE1 HIS A 486 -4.976 -10.600 -3.066 1.00 0.00 C flip ATOM 1062 NE2 HIS A 486 -5.908 -9.695 -2.652 1.00 0.00 N flip ATOM 0 H HIS A 486 -3.102 -11.840 -0.333 1.00 0.00 H new ATOM 0 HA HIS A 486 -4.705 -10.806 1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -5.905 -12.822 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -6.558 -11.322 0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -6.983 -9.477 -0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -4.498 -10.613 -4.034 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -6.271 -8.915 -3.200 1.00 0.00 H new ATOM 1070 N CYS A 487 -2.948 -13.364 1.863 1.00 0.00 N ATOM 1071 CA CYS A 487 -2.518 -14.559 2.569 1.00 0.00 C ATOM 1072 C CYS A 487 -3.457 -15.705 2.186 1.00 0.00 C ATOM 1073 O CYS A 487 -3.660 -16.633 2.968 1.00 0.00 O ATOM 1074 CB CYS A 487 -2.473 -14.338 4.081 1.00 0.00 C ATOM 1075 SG CYS A 487 -1.463 -12.910 4.619 1.00 0.00 S ATOM 0 H CYS A 487 -2.251 -12.967 1.234 1.00 0.00 H new ATOM 0 HA CYS A 487 -1.499 -14.812 2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 487 -3.492 -14.202 4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 487 -2.083 -15.239 4.554 1.00 0.00 H new ATOM 1080 N GLU A 488 -4.003 -15.606 0.984 1.00 0.00 N ATOM 1081 CA GLU A 488 -4.915 -16.621 0.488 1.00 0.00 C ATOM 1082 C GLU A 488 -4.209 -17.516 -0.533 1.00 0.00 C ATOM 1083 O GLU A 488 -4.827 -18.402 -1.120 1.00 0.00 O ATOM 1084 CB GLU A 488 -6.170 -15.987 -0.114 1.00 0.00 C ATOM 1085 CG GLU A 488 -5.840 -15.240 -1.407 1.00 0.00 C ATOM 1086 CD GLU A 488 -6.725 -15.721 -2.559 1.00 0.00 C ATOM 1087 OE1 GLU A 488 -7.932 -15.437 -2.574 1.00 0.00 O ATOM 1088 OE2 GLU A 488 -6.117 -16.413 -3.461 1.00 0.00 O ATOM 0 H GLU A 488 -3.831 -14.836 0.337 1.00 0.00 H new ATOM 0 HA GLU A 488 -5.229 -17.239 1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 488 -6.911 -16.760 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 488 -6.615 -15.299 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 488 -5.980 -14.169 -1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 488 -4.791 -15.392 -1.661 1.00 0.00 H new ATOM 1096 N VAL A 489 -2.924 -17.252 -0.714 1.00 0.00 N ATOM 1097 CA VAL A 489 -2.127 -18.021 -1.654 1.00 0.00 C ATOM 1098 C VAL A 489 -1.170 -18.932 -0.881 1.00 0.00 C ATOM 1099 O VAL A 489 -0.448 -18.471 0.002 1.00 0.00 O ATOM 1100 CB VAL A 489 -1.406 -17.081 -2.622 1.00 0.00 C ATOM 1101 CG1 VAL A 489 -1.896 -15.641 -2.455 1.00 0.00 C ATOM 1102 CG2 VAL A 489 0.111 -17.168 -2.443 1.00 0.00 C ATOM 0 H VAL A 489 -2.414 -16.516 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 489 -2.767 -18.662 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 489 -1.642 -17.400 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 489 -1.368 -14.993 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 489 -2.966 -15.595 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 489 -1.704 -15.307 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 489 0.599 -16.490 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 489 0.374 -16.888 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 489 0.442 -18.189 -2.635 1.00 0.00 H new ATOM 1112 N ASN A 490 -1.197 -20.207 -1.241 1.00 0.00 N ATOM 1113 CA ASN A 490 -0.342 -21.185 -0.590 1.00 0.00 C ATOM 1114 C ASN A 490 1.117 -20.896 -0.947 1.00 0.00 C ATOM 1115 O ASN A 490 1.417 -20.474 -2.062 1.00 0.00 O ATOM 1116 CB ASN A 490 -0.672 -22.604 -1.061 1.00 0.00 C ATOM 1117 CG ASN A 490 0.158 -23.640 -0.301 1.00 0.00 C ATOM 1118 OD1 ASN A 490 1.119 -24.196 -0.807 1.00 0.00 O ATOM 1119 ND2 ASN A 490 -0.265 -23.869 0.938 1.00 0.00 N ATOM 0 H ASN A 490 -1.797 -20.585 -1.974 1.00 0.00 H new ATOM 0 HA ASN A 490 -0.505 -21.115 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 490 -1.733 -22.803 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 490 -0.478 -22.691 -2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 490 0.222 -24.545 1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 490 -1.077 -23.369 1.300 1.00 0.00 H new ATOM 1126 N THR A 491 1.989 -21.136 0.022 1.00 0.00 N ATOM 1127 CA THR A 491 3.410 -20.906 -0.174 1.00 0.00 C ATOM 1128 C THR A 491 3.892 -21.605 -1.446 1.00 0.00 C ATOM 1129 O THR A 491 3.113 -22.277 -2.123 1.00 0.00 O ATOM 1130 CB THR A 491 4.142 -21.368 1.087 1.00 0.00 C ATOM 1131 OG1 THR A 491 5.509 -21.053 0.830 1.00 0.00 O ATOM 1132 CG2 THR A 491 4.134 -22.889 1.246 1.00 0.00 C ATOM 0 H THR A 491 1.738 -21.488 0.946 1.00 0.00 H new ATOM 0 HA THR A 491 3.623 -19.847 -0.321 1.00 0.00 H new ATOM 0 HB THR A 491 3.681 -20.910 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 491 6.056 -21.318 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 491 4.667 -23.162 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 491 3.105 -23.243 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 491 4.625 -23.347 0.387 1.00 0.00 H new ATOM 1140 N ASP A 492 5.172 -21.426 -1.735 1.00 0.00 N ATOM 1141 CA ASP A 492 5.767 -22.030 -2.915 1.00 0.00 C ATOM 1142 C ASP A 492 6.001 -23.520 -2.654 1.00 0.00 C ATOM 1143 O ASP A 492 5.785 -24.002 -1.543 1.00 0.00 O ATOM 1144 CB ASP A 492 7.116 -21.390 -3.241 1.00 0.00 C ATOM 1145 CG ASP A 492 7.660 -21.701 -4.638 1.00 0.00 C ATOM 1146 OD1 ASP A 492 6.974 -21.497 -5.650 1.00 0.00 O ATOM 1147 OD2 ASP A 492 8.856 -22.183 -4.662 1.00 0.00 O ATOM 0 H ASP A 492 5.815 -20.870 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 492 5.086 -21.879 -3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 492 7.023 -20.309 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 492 7.846 -21.720 -2.502 1.00 0.00 H new ATOM 1153 N GLU A 493 6.440 -24.208 -3.698 1.00 0.00 N ATOM 1154 CA GLU A 493 6.706 -25.633 -3.596 1.00 0.00 C ATOM 1155 C GLU A 493 7.818 -26.036 -4.567 1.00 0.00 C ATOM 1156 O GLU A 493 7.720 -27.062 -5.238 1.00 0.00 O ATOM 1157 CB GLU A 493 5.436 -26.448 -3.851 1.00 0.00 C ATOM 1158 CG GLU A 493 4.811 -26.083 -5.198 1.00 0.00 C ATOM 1159 CD GLU A 493 3.567 -25.214 -5.009 1.00 0.00 C ATOM 1160 OE1 GLU A 493 2.459 -25.745 -4.842 1.00 0.00 O ATOM 1161 OE2 GLU A 493 3.781 -23.942 -5.038 1.00 0.00 O ATOM 0 H GLU A 493 6.618 -23.805 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 493 7.039 -25.848 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 493 5.673 -27.512 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 493 4.717 -26.267 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 493 5.541 -25.551 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 493 4.545 -26.992 -5.738 1.00 0.00 H new ATOM 1169 N CYS A 494 8.852 -25.208 -4.609 1.00 0.00 N ATOM 1170 CA CYS A 494 9.981 -25.464 -5.485 1.00 0.00 C ATOM 1171 C CYS A 494 11.263 -25.084 -4.741 1.00 0.00 C ATOM 1172 O CYS A 494 12.134 -24.415 -5.297 1.00 0.00 O ATOM 1173 CB CYS A 494 9.849 -24.716 -6.814 1.00 0.00 C ATOM 1174 SG CYS A 494 9.504 -25.780 -8.261 1.00 0.00 S ATOM 0 H CYS A 494 8.931 -24.359 -4.050 1.00 0.00 H new ATOM 0 HA CYS A 494 10.011 -26.523 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 494 9.050 -23.980 -6.723 1.00 0.00 H new ATOM 0 HB3 CYS A 494 10.771 -24.164 -6.998 1.00 0.00 H new ATOM 1179 N ALA A 495 11.340 -25.527 -3.495 1.00 0.00 N ATOM 1180 CA ALA A 495 12.500 -25.240 -2.669 1.00 0.00 C ATOM 1181 C ALA A 495 13.673 -26.112 -3.125 1.00 0.00 C ATOM 1182 O ALA A 495 14.820 -25.854 -2.762 1.00 0.00 O ATOM 1183 CB ALA A 495 12.147 -25.462 -1.197 1.00 0.00 C ATOM 0 H ALA A 495 10.618 -26.083 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 495 12.801 -24.198 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 495 13.018 -25.247 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 495 11.328 -24.800 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 495 11.843 -26.498 -1.048 1.00 0.00 H new ATOM 1189 N SER A 496 13.343 -27.124 -3.914 1.00 0.00 N ATOM 1190 CA SER A 496 14.356 -28.036 -4.422 1.00 0.00 C ATOM 1191 C SER A 496 14.731 -27.651 -5.855 1.00 0.00 C ATOM 1192 O SER A 496 15.894 -27.370 -6.141 1.00 0.00 O ATOM 1193 CB SER A 496 13.867 -29.485 -4.371 1.00 0.00 C ATOM 1194 OG SER A 496 14.769 -30.327 -3.657 1.00 0.00 O ATOM 0 H SER A 496 12.391 -27.333 -4.214 1.00 0.00 H new ATOM 0 HA SER A 496 15.239 -27.958 -3.788 1.00 0.00 H new ATOM 0 HB2 SER A 496 12.886 -29.520 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 496 13.745 -29.863 -5.386 1.00 0.00 H new ATOM 0 HG SER A 496 14.421 -31.243 -3.645 1.00 0.00 H new ATOM 1200 N SER A 497 13.725 -27.653 -6.717 1.00 0.00 N ATOM 1201 CA SER A 497 13.935 -27.310 -8.113 1.00 0.00 C ATOM 1202 C SER A 497 13.482 -25.871 -8.371 1.00 0.00 C ATOM 1203 O SER A 497 12.289 -25.574 -8.323 1.00 0.00 O ATOM 1204 CB SER A 497 13.189 -28.276 -9.037 1.00 0.00 C ATOM 1205 OG SER A 497 13.621 -29.622 -8.864 1.00 0.00 O ATOM 0 H SER A 497 12.762 -27.887 -6.475 1.00 0.00 H new ATOM 0 HA SER A 497 15.000 -27.394 -8.330 1.00 0.00 H new ATOM 0 HB2 SER A 497 12.119 -28.211 -8.841 1.00 0.00 H new ATOM 0 HB3 SER A 497 13.342 -27.977 -10.074 1.00 0.00 H new ATOM 0 HG SER A 497 13.120 -30.207 -9.470 1.00 0.00 H new ATOM 1211 N PRO A 498 14.485 -24.994 -8.648 1.00 0.00 N ATOM 1212 CA PRO A 498 14.202 -23.595 -8.914 1.00 0.00 C ATOM 1213 C PRO A 498 13.609 -23.410 -10.312 1.00 0.00 C ATOM 1214 O PRO A 498 12.885 -22.448 -10.562 1.00 0.00 O ATOM 1215 CB PRO A 498 15.533 -22.883 -8.735 1.00 0.00 C ATOM 1216 CG PRO A 498 16.599 -23.962 -8.833 1.00 0.00 C ATOM 1217 CD PRO A 498 15.908 -25.312 -8.714 1.00 0.00 C ATOM 0 HA PRO A 498 13.451 -23.183 -8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 498 15.675 -22.122 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 498 15.578 -22.376 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 498 17.131 -23.888 -9.781 1.00 0.00 H new ATOM 0 HG3 PRO A 498 17.339 -23.841 -8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 498 16.132 -25.949 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 498 16.236 -25.848 -7.823 1.00 0.00 H new ATOM 1225 N CYS A 499 13.939 -24.350 -11.188 1.00 0.00 N ATOM 1226 CA CYS A 499 13.448 -24.304 -12.555 1.00 0.00 C ATOM 1227 C CYS A 499 13.641 -22.883 -13.088 1.00 0.00 C ATOM 1228 O CYS A 499 12.787 -22.019 -12.886 1.00 0.00 O ATOM 1229 CB CYS A 499 11.989 -24.755 -12.648 1.00 0.00 C ATOM 1230 SG CYS A 499 11.296 -24.769 -14.341 1.00 0.00 S ATOM 0 H CYS A 499 14.540 -25.147 -10.977 1.00 0.00 H new ATOM 0 HA CYS A 499 14.015 -25.002 -13.171 1.00 0.00 H new ATOM 0 HB2 CYS A 499 11.906 -25.758 -12.228 1.00 0.00 H new ATOM 0 HB3 CYS A 499 11.380 -24.098 -12.027 1.00 0.00 H new ATOM 1235 N LEU A 500 14.767 -22.683 -13.755 1.00 0.00 N ATOM 1236 CA LEU A 500 15.083 -21.380 -14.318 1.00 0.00 C ATOM 1237 C LEU A 500 15.840 -21.568 -15.633 1.00 0.00 C ATOM 1238 O LEU A 500 16.626 -20.709 -16.030 1.00 0.00 O ATOM 1239 CB LEU A 500 15.829 -20.522 -13.295 1.00 0.00 C ATOM 1240 CG LEU A 500 17.237 -20.991 -12.925 1.00 0.00 C ATOM 1241 CD1 LEU A 500 18.158 -19.800 -12.652 1.00 0.00 C ATOM 1242 CD2 LEU A 500 17.197 -21.966 -11.747 1.00 0.00 C ATOM 0 H LEU A 500 15.473 -23.401 -13.919 1.00 0.00 H new ATOM 0 HA LEU A 500 14.169 -20.833 -14.552 1.00 0.00 H new ATOM 0 HB2 LEU A 500 15.896 -19.506 -13.683 1.00 0.00 H new ATOM 0 HB3 LEU A 500 15.232 -20.476 -12.384 1.00 0.00 H new ATOM 0 HG LEU A 500 17.652 -21.530 -13.776 1.00 0.00 H new ATOM 0 HD11 LEU A 500 19.153 -20.162 -12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 500 18.221 -19.177 -13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 500 17.758 -19.212 -11.826 1.00 0.00 H new ATOM 0 HD21 LEU A 500 18.211 -22.284 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 500 16.754 -21.473 -10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 500 16.598 -22.836 -12.015 1.00 0.00 H new ATOM 1254 N HIS A 501 15.579 -22.698 -16.274 1.00 0.00 N ATOM 1255 CA HIS A 501 16.227 -23.010 -17.537 1.00 0.00 C ATOM 1256 C HIS A 501 15.179 -23.471 -18.552 1.00 0.00 C ATOM 1257 O HIS A 501 15.182 -23.026 -19.698 1.00 0.00 O ATOM 1258 CB HIS A 501 17.347 -24.031 -17.335 1.00 0.00 C ATOM 1259 CG HIS A 501 18.704 -23.417 -17.092 1.00 0.00 C ATOM 1260 ND1 HIS A 501 19.091 -22.414 -16.251 1.00 0.00 N flip ATOM 1261 CD2 HIS A 501 19.845 -23.830 -17.758 1.00 0.00 C flip ATOM 1262 CE1 HIS A 501 20.397 -22.226 -16.395 1.00 0.00 C flip ATOM 1263 NE2 HIS A 501 20.867 -23.103 -17.328 1.00 0.00 N flip ATOM 0 H HIS A 501 14.927 -23.409 -15.942 1.00 0.00 H new ATOM 0 HA HIS A 501 16.700 -22.114 -17.938 1.00 0.00 H new ATOM 0 HB2 HIS A 501 17.093 -24.671 -16.490 1.00 0.00 H new ATOM 0 HB3 HIS A 501 17.402 -24.672 -18.215 1.00 0.00 H new ATOM 0 HD2 HIS A 501 19.894 -24.612 -18.502 1.00 0.00 H new ATOM 0 HE1 HIS A 501 20.990 -21.498 -15.861 1.00 0.00 H new ATOM 0 HE2 HIS A 501 21.835 -23.185 -17.640 1.00 0.00 H new ATOM 1271 N ASN A 502 14.308 -24.357 -18.092 1.00 0.00 N ATOM 1272 CA ASN A 502 13.255 -24.882 -18.946 1.00 0.00 C ATOM 1273 C ASN A 502 11.948 -24.145 -18.651 1.00 0.00 C ATOM 1274 O ASN A 502 11.028 -24.151 -19.468 1.00 0.00 O ATOM 1275 CB ASN A 502 13.027 -26.372 -18.684 1.00 0.00 C ATOM 1276 CG ASN A 502 12.649 -27.105 -19.972 1.00 0.00 C ATOM 1277 OD1 ASN A 502 13.236 -26.907 -21.023 1.00 0.00 O ATOM 1278 ND2 ASN A 502 11.638 -27.958 -19.833 1.00 0.00 N ATOM 0 H ASN A 502 14.309 -24.724 -17.140 1.00 0.00 H new ATOM 0 HA ASN A 502 13.559 -24.739 -19.983 1.00 0.00 H new ATOM 0 HB2 ASN A 502 13.930 -26.813 -18.263 1.00 0.00 H new ATOM 0 HB3 ASN A 502 12.236 -26.498 -17.945 1.00 0.00 H new ATOM 0 HD21 ASN A 502 11.310 -28.495 -20.636 1.00 0.00 H new ATOM 0 HD22 ASN A 502 11.191 -28.075 -18.924 1.00 0.00 H new ATOM 1285 N GLY A 503 11.906 -23.525 -17.480 1.00 0.00 N ATOM 1286 CA GLY A 503 10.727 -22.784 -17.068 1.00 0.00 C ATOM 1287 C GLY A 503 10.954 -22.099 -15.717 1.00 0.00 C ATOM 1288 O GLY A 503 12.032 -22.211 -15.135 1.00 0.00 O ATOM 0 H GLY A 503 12.670 -23.521 -16.804 1.00 0.00 H new ATOM 0 HA2 GLY A 503 10.481 -22.036 -17.822 1.00 0.00 H new ATOM 0 HA3 GLY A 503 9.874 -23.459 -16.999 1.00 0.00 H new ATOM 1292 N ARG A 504 9.921 -21.407 -15.260 1.00 0.00 N ATOM 1293 CA ARG A 504 9.996 -20.705 -13.989 1.00 0.00 C ATOM 1294 C ARG A 504 9.041 -21.341 -12.976 1.00 0.00 C ATOM 1295 O ARG A 504 7.830 -21.366 -13.190 1.00 0.00 O ATOM 1296 CB ARG A 504 9.639 -19.227 -14.156 1.00 0.00 C ATOM 1297 CG ARG A 504 9.738 -18.484 -12.822 1.00 0.00 C ATOM 1298 CD ARG A 504 11.175 -18.031 -12.552 1.00 0.00 C ATOM 1299 NE ARG A 504 11.491 -18.176 -11.114 1.00 0.00 N ATOM 1300 CZ ARG A 504 12.701 -17.915 -10.574 1.00 0.00 C ATOM 1301 NH1 ARG A 504 13.719 -17.492 -11.350 1.00 0.00 N ATOM 1302 NH2 ARG A 504 12.870 -18.080 -9.275 1.00 0.00 N ATOM 0 H ARG A 504 9.029 -21.317 -15.746 1.00 0.00 H new ATOM 0 HA ARG A 504 11.021 -20.782 -13.626 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.309 -18.767 -14.883 1.00 0.00 H new ATOM 0 HB3 ARG A 504 8.628 -19.136 -14.553 1.00 0.00 H new ATOM 0 HG2 ARG A 504 9.076 -17.618 -12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 504 9.400 -19.133 -12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.870 -18.624 -13.147 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.301 -16.992 -12.857 1.00 0.00 H new ATOM 0 HE ARG A 504 10.748 -18.493 -10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 504 13.578 -17.367 -12.352 1.00 0.00 H new ATOM 0 HH12 ARG A 504 14.630 -17.297 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 504 12.093 -18.400 -8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 504 13.777 -17.888 -8.850 1.00 0.00 H new ATOM 1315 N CYS A 505 9.623 -21.838 -11.895 1.00 0.00 N ATOM 1316 CA CYS A 505 8.839 -22.473 -10.848 1.00 0.00 C ATOM 1317 C CYS A 505 7.842 -21.446 -10.307 1.00 0.00 C ATOM 1318 O CYS A 505 8.221 -20.530 -9.581 1.00 0.00 O ATOM 1319 CB CYS A 505 9.730 -23.041 -9.742 1.00 0.00 C ATOM 1320 SG CYS A 505 10.107 -24.825 -9.902 1.00 0.00 S ATOM 0 H CYS A 505 10.628 -21.814 -11.721 1.00 0.00 H new ATOM 0 HA CYS A 505 8.296 -23.324 -11.260 1.00 0.00 H new ATOM 0 HB2 CYS A 505 10.668 -22.485 -9.729 1.00 0.00 H new ATOM 0 HB3 CYS A 505 9.245 -22.871 -8.781 1.00 0.00 H new ATOM 1325 N LEU A 506 6.584 -21.636 -10.681 1.00 0.00 N ATOM 1326 CA LEU A 506 5.530 -20.739 -10.241 1.00 0.00 C ATOM 1327 C LEU A 506 4.803 -21.360 -9.047 1.00 0.00 C ATOM 1328 O LEU A 506 4.429 -22.529 -9.083 1.00 0.00 O ATOM 1329 CB LEU A 506 4.605 -20.388 -11.409 1.00 0.00 C ATOM 1330 CG LEU A 506 4.274 -18.905 -11.580 1.00 0.00 C ATOM 1331 CD1 LEU A 506 3.505 -18.371 -10.370 1.00 0.00 C ATOM 1332 CD2 LEU A 506 5.539 -18.089 -11.861 1.00 0.00 C ATOM 0 H LEU A 506 6.272 -22.398 -11.283 1.00 0.00 H new ATOM 0 HA LEU A 506 5.951 -19.793 -9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 506 5.064 -20.746 -12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.671 -20.936 -11.284 1.00 0.00 H new ATOM 0 HG LEU A 506 3.623 -18.799 -12.448 1.00 0.00 H new ATOM 0 HD11 LEU A 506 3.282 -17.314 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 506 2.574 -18.926 -10.257 1.00 0.00 H new ATOM 0 HD13 LEU A 506 4.110 -18.492 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 506 5.275 -17.038 -11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 506 6.235 -18.198 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 506 6.009 -18.450 -12.776 1.00 0.00 H new ATOM 1344 N ASP A 507 4.626 -20.546 -8.016 1.00 0.00 N ATOM 1345 CA ASP A 507 3.951 -21.000 -6.812 1.00 0.00 C ATOM 1346 C ASP A 507 2.442 -21.034 -7.061 1.00 0.00 C ATOM 1347 O ASP A 507 1.760 -20.022 -6.901 1.00 0.00 O ATOM 1348 CB ASP A 507 4.215 -20.051 -5.641 1.00 0.00 C ATOM 1349 CG ASP A 507 3.196 -20.128 -4.505 1.00 0.00 C ATOM 1350 OD1 ASP A 507 3.064 -19.192 -3.701 1.00 0.00 O ATOM 1351 OD2 ASP A 507 2.509 -21.219 -4.460 1.00 0.00 O ATOM 0 H ASP A 507 4.938 -19.575 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 507 4.331 -21.991 -6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 507 5.204 -20.264 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 507 4.238 -19.029 -6.019 1.00 0.00 H new ATOM 1357 N LYS A 508 1.965 -22.207 -7.448 1.00 0.00 N ATOM 1358 CA LYS A 508 0.549 -22.388 -7.720 1.00 0.00 C ATOM 1359 C LYS A 508 -0.146 -22.910 -6.461 1.00 0.00 C ATOM 1360 O LYS A 508 0.335 -23.847 -5.825 1.00 0.00 O ATOM 1361 CB LYS A 508 0.348 -23.278 -8.947 1.00 0.00 C ATOM 1362 CG LYS A 508 -0.093 -22.452 -10.157 1.00 0.00 C ATOM 1363 CD LYS A 508 1.053 -21.582 -10.676 1.00 0.00 C ATOM 1364 CE LYS A 508 0.665 -20.884 -11.981 1.00 0.00 C ATOM 1365 NZ LYS A 508 0.611 -19.418 -11.786 1.00 0.00 N ATOM 0 H LYS A 508 2.534 -23.043 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 508 0.085 -21.434 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 508 1.276 -23.801 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 508 -0.401 -24.040 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 508 -0.437 -23.117 -10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 508 -0.938 -21.820 -9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 508 1.317 -20.837 -9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 508 1.937 -22.198 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 508 1.388 -21.127 -12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 508 -0.305 -21.248 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 508 -0.183 -19.024 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 508 0.477 -19.207 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 508 1.501 -18.991 -12.114 1.00 0.00 H new ATOM 1378 N ILE A 509 -1.267 -22.281 -6.138 1.00 0.00 N ATOM 1379 CA ILE A 509 -2.032 -22.671 -4.967 1.00 0.00 C ATOM 1380 C ILE A 509 -2.673 -24.039 -5.214 1.00 0.00 C ATOM 1381 O ILE A 509 -3.897 -24.156 -5.252 1.00 0.00 O ATOM 1382 CB ILE A 509 -3.038 -21.579 -4.596 1.00 0.00 C ATOM 1383 CG1 ILE A 509 -2.473 -20.189 -4.897 1.00 0.00 C ATOM 1384 CG2 ILE A 509 -3.482 -21.714 -3.137 1.00 0.00 C ATOM 1385 CD1 ILE A 509 -3.148 -19.578 -6.126 1.00 0.00 C ATOM 0 H ILE A 509 -1.663 -21.504 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 509 -1.377 -22.776 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 509 -3.926 -21.707 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 509 -2.620 -19.538 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 509 -1.398 -20.258 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 509 -4.197 -20.926 -2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 509 -3.952 -22.686 -2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 509 -2.614 -21.626 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 509 -2.728 -18.591 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 509 -2.978 -20.219 -6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 509 -4.219 -19.488 -5.946 1.00 0.00 H new ATOM 1397 N ASN A 510 -1.818 -25.037 -5.374 1.00 0.00 N ATOM 1398 CA ASN A 510 -2.286 -26.392 -5.615 1.00 0.00 C ATOM 1399 C ASN A 510 -1.106 -27.262 -6.057 1.00 0.00 C ATOM 1400 O ASN A 510 -0.955 -28.390 -5.590 1.00 0.00 O ATOM 1401 CB ASN A 510 -3.337 -26.422 -6.726 1.00 0.00 C ATOM 1402 CG ASN A 510 -4.607 -27.134 -6.258 1.00 0.00 C ATOM 1403 OD1 ASN A 510 -5.612 -26.521 -5.934 1.00 0.00 O ATOM 1404 ND2 ASN A 510 -4.508 -28.460 -6.242 1.00 0.00 N ATOM 0 H ASN A 510 -0.804 -24.935 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 510 -2.727 -26.767 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 510 -3.578 -25.404 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 510 -2.932 -26.930 -7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 510 -5.302 -29.027 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 510 -3.638 -28.910 -6.526 1.00 0.00 H new ATOM 1411 N GLU A 511 -0.304 -26.706 -6.951 1.00 0.00 N ATOM 1412 CA GLU A 511 0.856 -27.416 -7.461 1.00 0.00 C ATOM 1413 C GLU A 511 1.947 -26.426 -7.874 1.00 0.00 C ATOM 1414 O GLU A 511 1.831 -25.228 -7.621 1.00 0.00 O ATOM 1415 CB GLU A 511 0.472 -28.326 -8.628 1.00 0.00 C ATOM 1416 CG GLU A 511 -0.565 -29.366 -8.195 1.00 0.00 C ATOM 1417 CD GLU A 511 -0.951 -30.276 -9.364 1.00 0.00 C ATOM 1418 OE1 GLU A 511 -0.072 -30.877 -9.999 1.00 0.00 O ATOM 1419 OE2 GLU A 511 -2.217 -30.347 -9.603 1.00 0.00 O ATOM 0 H GLU A 511 -0.434 -25.771 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 511 1.249 -28.047 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 511 0.071 -27.726 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 511 1.361 -28.830 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 511 -0.164 -29.967 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 511 -1.453 -28.862 -7.813 1.00 0.00 H new ATOM 1427 N PHE A 512 2.981 -26.964 -8.503 1.00 0.00 N ATOM 1428 CA PHE A 512 4.092 -26.142 -8.955 1.00 0.00 C ATOM 1429 C PHE A 512 4.227 -26.191 -10.478 1.00 0.00 C ATOM 1430 O PHE A 512 4.394 -27.264 -11.054 1.00 0.00 O ATOM 1431 CB PHE A 512 5.360 -26.717 -8.322 1.00 0.00 C ATOM 1432 CG PHE A 512 6.324 -27.352 -9.327 1.00 0.00 C ATOM 1433 CD1 PHE A 512 7.248 -26.583 -9.961 1.00 0.00 C ATOM 1434 CD2 PHE A 512 6.255 -28.685 -9.587 1.00 0.00 C ATOM 1435 CE1 PHE A 512 8.143 -27.170 -10.894 1.00 0.00 C ATOM 1436 CE2 PHE A 512 7.149 -29.273 -10.520 1.00 0.00 C ATOM 1437 CZ PHE A 512 8.074 -28.504 -11.155 1.00 0.00 C ATOM 0 H PHE A 512 3.074 -27.958 -8.711 1.00 0.00 H new ATOM 0 HA PHE A 512 3.929 -25.104 -8.666 1.00 0.00 H new ATOM 0 HB2 PHE A 512 5.880 -25.922 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 512 5.077 -27.466 -7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 512 7.302 -25.524 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 512 5.520 -29.296 -9.084 1.00 0.00 H new ATOM 0 HE1 PHE A 512 8.878 -26.558 -11.396 1.00 0.00 H new ATOM 0 HE2 PHE A 512 7.095 -30.332 -10.726 1.00 0.00 H new ATOM 0 HZ PHE A 512 8.753 -28.952 -11.866 1.00 0.00 H new ATOM 1447 N GLN A 513 4.152 -25.016 -11.085 1.00 0.00 N ATOM 1448 CA GLN A 513 4.264 -24.912 -12.529 1.00 0.00 C ATOM 1449 C GLN A 513 5.628 -24.335 -12.916 1.00 0.00 C ATOM 1450 O GLN A 513 6.304 -23.724 -12.090 1.00 0.00 O ATOM 1451 CB GLN A 513 3.128 -24.066 -13.109 1.00 0.00 C ATOM 1452 CG GLN A 513 2.604 -24.670 -14.414 1.00 0.00 C ATOM 1453 CD GLN A 513 3.329 -24.074 -15.622 1.00 0.00 C ATOM 1454 OE1 GLN A 513 3.536 -22.876 -15.726 1.00 0.00 O ATOM 1455 NE2 GLN A 513 3.702 -24.975 -16.528 1.00 0.00 N ATOM 0 H GLN A 513 4.015 -24.128 -10.603 1.00 0.00 H new ATOM 0 HA GLN A 513 4.180 -25.913 -12.952 1.00 0.00 H new ATOM 0 HB2 GLN A 513 2.316 -23.996 -12.385 1.00 0.00 H new ATOM 0 HB3 GLN A 513 3.482 -23.051 -13.290 1.00 0.00 H new ATOM 0 HG2 GLN A 513 2.741 -25.751 -14.400 1.00 0.00 H new ATOM 0 HG3 GLN A 513 1.533 -24.486 -14.500 1.00 0.00 H new ATOM 0 HE21 GLN A 513 3.497 -25.963 -16.379 1.00 0.00 H new ATOM 0 HE22 GLN A 513 4.193 -24.677 -17.371 1.00 0.00 H new ATOM 1464 N CYS A 514 5.991 -24.552 -14.171 1.00 0.00 N ATOM 1465 CA CYS A 514 7.262 -24.061 -14.678 1.00 0.00 C ATOM 1466 C CYS A 514 6.985 -23.157 -15.879 1.00 0.00 C ATOM 1467 O CYS A 514 7.004 -23.612 -17.021 1.00 0.00 O ATOM 1468 CB CYS A 514 8.209 -25.209 -15.034 1.00 0.00 C ATOM 1469 SG CYS A 514 9.435 -25.623 -13.740 1.00 0.00 S ATOM 0 H CYS A 514 5.428 -25.061 -14.852 1.00 0.00 H new ATOM 0 HA CYS A 514 7.768 -23.486 -13.902 1.00 0.00 H new ATOM 0 HB2 CYS A 514 7.615 -26.097 -15.250 1.00 0.00 H new ATOM 0 HB3 CYS A 514 8.741 -24.951 -15.950 1.00 0.00 H new ATOM 1474 N GLU A 515 6.732 -21.891 -15.580 1.00 0.00 N ATOM 1475 CA GLU A 515 6.450 -20.917 -16.621 1.00 0.00 C ATOM 1476 C GLU A 515 7.648 -20.787 -17.565 1.00 0.00 C ATOM 1477 O GLU A 515 8.278 -21.783 -17.914 1.00 0.00 O ATOM 1478 CB GLU A 515 6.077 -19.562 -16.019 1.00 0.00 C ATOM 1479 CG GLU A 515 5.021 -19.720 -14.924 1.00 0.00 C ATOM 1480 CD GLU A 515 3.657 -19.217 -15.400 1.00 0.00 C ATOM 1481 OE1 GLU A 515 3.463 -18.999 -16.605 1.00 0.00 O ATOM 1482 OE2 GLU A 515 2.781 -19.053 -14.468 1.00 0.00 O ATOM 0 H GLU A 515 6.716 -21.517 -14.631 1.00 0.00 H new ATOM 0 HA GLU A 515 5.594 -21.269 -17.197 1.00 0.00 H new ATOM 0 HB2 GLU A 515 6.966 -19.087 -15.605 1.00 0.00 H new ATOM 0 HB3 GLU A 515 5.699 -18.904 -16.802 1.00 0.00 H new ATOM 0 HG2 GLU A 515 4.945 -20.768 -14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 515 5.327 -19.166 -14.036 1.00 0.00 H new ATOM 1490 N CYS A 516 7.927 -19.550 -17.949 1.00 0.00 N ATOM 1491 CA CYS A 516 9.038 -19.277 -18.844 1.00 0.00 C ATOM 1492 C CYS A 516 10.249 -18.880 -18.000 1.00 0.00 C ATOM 1493 O CYS A 516 10.121 -18.113 -17.046 1.00 0.00 O ATOM 1494 CB CYS A 516 8.684 -18.201 -19.874 1.00 0.00 C ATOM 1495 SG CYS A 516 10.102 -17.211 -20.468 1.00 0.00 S ATOM 0 H CYS A 516 7.403 -18.726 -17.656 1.00 0.00 H new ATOM 0 HA CYS A 516 9.274 -20.173 -19.418 1.00 0.00 H new ATOM 0 HB2 CYS A 516 8.209 -18.680 -20.730 1.00 0.00 H new ATOM 0 HB3 CYS A 516 7.947 -17.528 -19.436 1.00 0.00 H new ATOM 0 HG CYS A 516 10.878 -16.920 -19.466 1.00 0.00 H new ATOM 1500 N PRO A 517 11.429 -19.436 -18.390 1.00 0.00 N ATOM 1501 CA PRO A 517 12.663 -19.148 -17.677 1.00 0.00 C ATOM 1502 C PRO A 517 13.174 -17.745 -18.011 1.00 0.00 C ATOM 1503 O PRO A 517 12.499 -16.983 -18.703 1.00 0.00 O ATOM 1504 CB PRO A 517 13.625 -20.247 -18.099 1.00 0.00 C ATOM 1505 CG PRO A 517 13.050 -20.835 -19.378 1.00 0.00 C ATOM 1506 CD PRO A 517 11.617 -20.349 -19.512 1.00 0.00 C ATOM 0 HA PRO A 517 12.533 -19.144 -16.595 1.00 0.00 H new ATOM 0 HB2 PRO A 517 14.625 -19.847 -18.268 1.00 0.00 H new ATOM 0 HB3 PRO A 517 13.713 -21.008 -17.324 1.00 0.00 H new ATOM 0 HG2 PRO A 517 13.640 -20.524 -20.240 1.00 0.00 H new ATOM 0 HG3 PRO A 517 13.082 -21.924 -19.345 1.00 0.00 H new ATOM 0 HD2 PRO A 517 11.458 -19.844 -20.465 1.00 0.00 H new ATOM 0 HD3 PRO A 517 10.912 -21.179 -19.470 1.00 0.00 H new