USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 21:sc= -0.22 USER MOD Single : A 4 LYS NZ :NH3+ -138:sc= -0.0967 (180deg=-0.535) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0465) USER MOD Single : A 9 THR OG1 : rot -39:sc= 0.129 USER MOD Single : A 10 SER OG : rot -58:sc= -0.109 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= -0.126 (180deg=-0.696) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 SER OG : rot 74:sc= 0.372 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0176 K(o=0.018,f=-4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0733 (180deg=-0.328) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 34 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.065) USER MOD Single : A 38 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0614) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 7.179 0.232 1.942 1.00 0.00 N ATOM 19 CA SER A 3 8.193 1.275 2.044 1.00 0.00 C ATOM 20 C SER A 3 9.038 1.091 3.301 1.00 0.00 C ATOM 21 O SER A 3 8.581 1.350 4.414 1.00 0.00 O ATOM 22 CB SER A 3 7.535 2.657 2.056 1.00 0.00 C ATOM 23 OG SER A 3 6.564 2.768 1.029 1.00 0.00 O ATOM 0 HA SER A 3 8.845 1.198 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.066 2.832 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.296 3.427 1.926 1.00 0.00 H new ATOM 0 HG SER A 3 6.277 1.873 0.752 1.00 0.00 H new ATOM 29 N LYS A 4 10.274 0.642 3.114 1.00 0.00 N ATOM 30 CA LYS A 4 11.186 0.423 4.230 1.00 0.00 C ATOM 31 C LYS A 4 12.556 -0.027 3.734 1.00 0.00 C ATOM 32 O LYS A 4 12.823 -0.026 2.531 1.00 0.00 O ATOM 33 CB LYS A 4 10.611 -0.622 5.188 1.00 0.00 C ATOM 34 CG LYS A 4 10.277 -1.944 4.518 1.00 0.00 C ATOM 35 CD LYS A 4 10.921 -3.115 5.241 1.00 0.00 C ATOM 36 CE LYS A 4 10.478 -4.445 4.652 1.00 0.00 C ATOM 37 NZ LYS A 4 8.997 -4.599 4.680 1.00 0.00 N ATOM 0 H LYS A 4 10.668 0.422 2.199 1.00 0.00 H new ATOM 0 HA LYS A 4 11.304 1.368 4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.328 -0.801 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.709 -0.221 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.196 -2.079 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.616 -1.924 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.006 -3.031 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.660 -3.079 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.832 -4.523 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.938 -5.260 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.754 -5.568 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.590 -3.922 5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.611 -4.415 3.732 1.00 0.00 H new ATOM 51 N LEU A 5 13.421 -0.412 4.666 1.00 0.00 N ATOM 52 CA LEU A 5 14.764 -0.867 4.322 1.00 0.00 C ATOM 53 C LEU A 5 14.884 -2.379 4.480 1.00 0.00 C ATOM 54 O LEU A 5 14.386 -2.955 5.448 1.00 0.00 O ATOM 55 CB LEU A 5 15.801 -0.167 5.202 1.00 0.00 C ATOM 56 CG LEU A 5 16.554 0.996 4.556 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.818 2.094 5.576 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.860 0.511 3.943 1.00 0.00 C ATOM 0 H LEU A 5 13.217 -0.418 5.665 1.00 0.00 H new ATOM 0 HA LEU A 5 14.951 -0.614 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.299 0.203 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.530 -0.908 5.530 1.00 0.00 H new ATOM 0 HG LEU A 5 15.933 1.408 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 5 17.355 2.913 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.870 2.462 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.419 1.695 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.383 1.352 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.486 0.072 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.648 -0.240 3.182 1.00 0.00 H new ATOM 70 N CYS A 6 15.550 -3.017 3.523 1.00 0.00 N ATOM 71 CA CYS A 6 15.738 -4.463 3.556 1.00 0.00 C ATOM 72 C CYS A 6 17.222 -4.818 3.584 1.00 0.00 C ATOM 73 O CYS A 6 18.027 -4.217 2.874 1.00 0.00 O ATOM 74 CB CYS A 6 15.070 -5.112 2.342 1.00 0.00 C ATOM 75 SG CYS A 6 13.251 -5.006 2.349 1.00 0.00 S ATOM 0 H CYS A 6 15.968 -2.556 2.715 1.00 0.00 H new ATOM 0 HA CYS A 6 15.274 -4.845 4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.447 -4.638 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.362 -6.161 2.298 1.00 0.00 H new ATOM 80 N GLU A 7 17.574 -5.799 4.409 1.00 0.00 N ATOM 81 CA GLU A 7 18.961 -6.233 4.530 1.00 0.00 C ATOM 82 C GLU A 7 19.077 -7.742 4.338 1.00 0.00 C ATOM 83 O GLU A 7 18.246 -8.508 4.828 1.00 0.00 O ATOM 84 CB GLU A 7 19.525 -5.837 5.896 1.00 0.00 C ATOM 85 CG GLU A 7 19.104 -6.766 7.022 1.00 0.00 C ATOM 86 CD GLU A 7 20.167 -7.794 7.358 1.00 0.00 C ATOM 87 OE1 GLU A 7 21.279 -7.390 7.758 1.00 0.00 O ATOM 88 OE2 GLU A 7 19.885 -9.003 7.222 1.00 0.00 O ATOM 0 H GLU A 7 16.919 -6.308 5.003 1.00 0.00 H new ATOM 0 HA GLU A 7 19.539 -5.739 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.613 -5.819 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.202 -4.823 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.881 -6.176 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.184 -7.279 6.740 1.00 0.00 H new ATOM 95 N LYS A 8 20.113 -8.164 3.622 1.00 0.00 N ATOM 96 CA LYS A 8 20.341 -9.581 3.364 1.00 0.00 C ATOM 97 C LYS A 8 21.519 -10.100 4.182 1.00 0.00 C ATOM 98 O LYS A 8 22.528 -9.412 4.344 1.00 0.00 O ATOM 99 CB LYS A 8 20.598 -9.815 1.874 1.00 0.00 C ATOM 100 CG LYS A 8 19.585 -9.136 0.968 1.00 0.00 C ATOM 101 CD LYS A 8 18.175 -9.638 1.233 1.00 0.00 C ATOM 102 CE LYS A 8 17.287 -9.475 0.009 1.00 0.00 C ATOM 103 NZ LYS A 8 17.203 -8.055 -0.430 1.00 0.00 N ATOM 0 H LYS A 8 20.810 -7.544 3.209 1.00 0.00 H new ATOM 0 HA LYS A 8 19.446 -10.127 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.596 -9.453 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.589 -10.887 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.623 -8.058 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.847 -9.319 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.210 -10.689 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.744 -9.091 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.677 -10.085 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.287 -9.845 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.511 -7.971 -1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.904 -7.461 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.136 -7.740 -0.766 1.00 0.00 H new ATOM 117 N THR A 9 21.387 -11.320 4.694 1.00 0.00 N ATOM 118 CA THR A 9 22.440 -11.931 5.494 1.00 0.00 C ATOM 119 C THR A 9 23.244 -12.932 4.673 1.00 0.00 C ATOM 120 O THR A 9 23.295 -14.118 4.998 1.00 0.00 O ATOM 121 CB THR A 9 21.864 -12.645 6.732 1.00 0.00 C ATOM 122 OG1 THR A 9 20.708 -11.945 7.207 1.00 0.00 O ATOM 123 CG2 THR A 9 22.902 -12.731 7.840 1.00 0.00 C ATOM 0 H THR A 9 20.560 -11.904 4.568 1.00 0.00 H new ATOM 0 HA THR A 9 23.095 -11.124 5.822 1.00 0.00 H new ATOM 0 HB THR A 9 21.582 -13.657 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.857 -10.979 7.134 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.472 -13.239 8.703 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.768 -13.290 7.485 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.211 -11.726 8.127 1.00 0.00 H new ATOM 131 N SER A 10 23.871 -12.447 3.606 1.00 0.00 N ATOM 132 CA SER A 10 24.671 -13.301 2.735 1.00 0.00 C ATOM 133 C SER A 10 23.887 -14.544 2.324 1.00 0.00 C ATOM 134 O SER A 10 24.279 -15.670 2.631 1.00 0.00 O ATOM 135 CB SER A 10 25.967 -13.711 3.437 1.00 0.00 C ATOM 136 OG SER A 10 26.705 -14.628 2.650 1.00 0.00 O ATOM 0 H SER A 10 23.841 -11.467 3.324 1.00 0.00 H new ATOM 0 HA SER A 10 24.916 -12.734 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.573 -12.827 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.735 -14.160 4.403 1.00 0.00 H new ATOM 0 HG SER A 10 26.155 -15.418 2.467 1.00 0.00 H new ATOM 142 N LYS A 11 22.775 -14.331 1.627 1.00 0.00 N ATOM 143 CA LYS A 11 21.935 -15.431 1.172 1.00 0.00 C ATOM 144 C LYS A 11 22.272 -15.815 -0.265 1.00 0.00 C ATOM 145 O LYS A 11 21.412 -16.282 -1.013 1.00 0.00 O ATOM 146 CB LYS A 11 20.457 -15.048 1.275 1.00 0.00 C ATOM 147 CG LYS A 11 20.185 -13.585 0.971 1.00 0.00 C ATOM 148 CD LYS A 11 20.704 -13.196 -0.403 1.00 0.00 C ATOM 149 CE LYS A 11 19.784 -12.193 -1.083 1.00 0.00 C ATOM 150 NZ LYS A 11 18.428 -12.759 -1.322 1.00 0.00 N ATOM 0 H LYS A 11 22.435 -13.405 1.365 1.00 0.00 H new ATOM 0 HA LYS A 11 22.127 -16.291 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 11 19.881 -15.667 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.101 -15.274 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.113 -13.395 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.657 -12.961 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.703 -12.769 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.795 -14.087 -1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.701 -11.299 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.221 -11.884 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.007 -12.310 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.503 -13.784 -1.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.825 -12.578 -0.494 1.00 0.00 H new ATOM 164 N THR A 12 23.530 -15.616 -0.646 1.00 0.00 N ATOM 165 CA THR A 12 23.981 -15.942 -1.994 1.00 0.00 C ATOM 166 C THR A 12 25.503 -15.933 -2.081 1.00 0.00 C ATOM 167 O THR A 12 26.097 -16.731 -2.806 1.00 0.00 O ATOM 168 CB THR A 12 23.413 -14.954 -3.030 1.00 0.00 C ATOM 169 OG1 THR A 12 22.884 -13.799 -2.368 1.00 0.00 O ATOM 170 CG2 THR A 12 22.322 -15.611 -3.862 1.00 0.00 C ATOM 0 H THR A 12 24.255 -15.231 -0.040 1.00 0.00 H new ATOM 0 HA THR A 12 23.613 -16.943 -2.218 1.00 0.00 H new ATOM 0 HB THR A 12 24.223 -14.652 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.526 -13.175 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.936 -14.894 -4.587 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.734 -16.472 -4.388 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.513 -15.938 -3.209 1.00 0.00 H new ATOM 178 N TYR A 13 26.128 -15.026 -1.339 1.00 0.00 N ATOM 179 CA TYR A 13 27.582 -14.913 -1.334 1.00 0.00 C ATOM 180 C TYR A 13 28.234 -16.274 -1.110 1.00 0.00 C ATOM 181 O TYR A 13 29.310 -16.553 -1.639 1.00 0.00 O ATOM 182 CB TYR A 13 28.034 -13.933 -0.250 1.00 0.00 C ATOM 183 CG TYR A 13 29.483 -13.518 -0.375 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.503 -14.336 0.094 1.00 0.00 C ATOM 185 CD2 TYR A 13 29.830 -12.308 -0.964 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.828 -13.960 -0.018 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.152 -11.925 -1.081 1.00 0.00 C ATOM 188 CZ TYR A 13 32.147 -12.754 -0.606 1.00 0.00 C ATOM 189 OH TYR A 13 33.466 -12.376 -0.721 1.00 0.00 O ATOM 0 H TYR A 13 25.651 -14.358 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 13 27.895 -14.537 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.405 -13.044 -0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.878 -14.389 0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 13 30.256 -15.282 0.554 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.053 -11.656 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 13 32.609 -14.607 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 13 31.405 -10.982 -1.542 1.00 0.00 H new ATOM 0 HH TYR A 13 34.029 -13.174 -0.805 1.00 0.00 H new ATOM 199 N SER A 14 27.573 -17.117 -0.324 1.00 0.00 N ATOM 200 CA SER A 14 28.088 -18.448 -0.027 1.00 0.00 C ATOM 201 C SER A 14 29.350 -18.364 0.827 1.00 0.00 C ATOM 202 O SER A 14 29.650 -17.324 1.411 1.00 0.00 O ATOM 203 CB SER A 14 28.385 -19.205 -1.323 1.00 0.00 C ATOM 204 OG SER A 14 27.373 -18.978 -2.289 1.00 0.00 O ATOM 0 H SER A 14 26.680 -16.902 0.119 1.00 0.00 H new ATOM 0 HA SER A 14 27.326 -18.988 0.534 1.00 0.00 H new ATOM 0 HB2 SER A 14 29.349 -18.888 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 14 28.461 -20.272 -1.115 1.00 0.00 H new ATOM 0 HG SER A 14 27.466 -18.073 -2.653 1.00 0.00 H new ATOM 210 N GLY A 15 30.087 -19.469 0.893 1.00 0.00 N ATOM 211 CA GLY A 15 31.308 -19.501 1.677 1.00 0.00 C ATOM 212 C GLY A 15 32.262 -18.381 1.309 1.00 0.00 C ATOM 213 O GLY A 15 31.994 -17.602 0.395 1.00 0.00 O ATOM 0 H GLY A 15 29.860 -20.342 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 15 31.059 -19.429 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 15 31.805 -20.460 1.531 1.00 0.00 H new ATOM 217 N LYS A 16 33.379 -18.299 2.024 1.00 0.00 N ATOM 218 CA LYS A 16 34.377 -17.267 1.769 1.00 0.00 C ATOM 219 C LYS A 16 33.829 -15.885 2.109 1.00 0.00 C ATOM 220 O LYS A 16 32.631 -15.721 2.344 1.00 0.00 O ATOM 221 CB LYS A 16 34.819 -17.307 0.305 1.00 0.00 C ATOM 222 CG LYS A 16 36.287 -17.652 0.122 1.00 0.00 C ATOM 223 CD LYS A 16 36.463 -18.942 -0.660 1.00 0.00 C ATOM 224 CE LYS A 16 37.917 -19.165 -1.049 1.00 0.00 C ATOM 225 NZ LYS A 16 38.084 -20.375 -1.900 1.00 0.00 N ATOM 0 H LYS A 16 33.616 -18.935 2.785 1.00 0.00 H new ATOM 0 HA LYS A 16 35.239 -17.464 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 16 34.213 -18.039 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 16 34.623 -16.337 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.791 -16.838 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.763 -17.749 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 16 36.113 -19.782 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 16 35.846 -18.911 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 16 38.288 -18.291 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.522 -19.268 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 39.088 -20.492 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 37.754 -21.213 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 37.527 -20.266 -2.771 1.00 0.00 H new ATOM 239 N CYS A 17 34.712 -14.892 2.131 1.00 0.00 N ATOM 240 CA CYS A 17 34.317 -13.523 2.440 1.00 0.00 C ATOM 241 C CYS A 17 35.502 -12.572 2.304 1.00 0.00 C ATOM 242 O CYS A 17 36.658 -12.990 2.371 1.00 0.00 O ATOM 243 CB CYS A 17 33.744 -13.443 3.856 1.00 0.00 C ATOM 244 SG CYS A 17 32.564 -12.078 4.105 1.00 0.00 S ATOM 0 H CYS A 17 35.707 -15.010 1.938 1.00 0.00 H new ATOM 0 HA CYS A 17 33.549 -13.223 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.248 -14.385 4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 17 34.566 -13.332 4.563 1.00 0.00 H new ATOM 249 N ASP A 18 35.206 -11.291 2.113 1.00 0.00 N ATOM 250 CA ASP A 18 36.246 -10.279 1.970 1.00 0.00 C ATOM 251 C ASP A 18 35.684 -8.883 2.220 1.00 0.00 C ATOM 252 O ASP A 18 34.588 -8.732 2.758 1.00 0.00 O ATOM 253 CB ASP A 18 36.866 -10.349 0.573 1.00 0.00 C ATOM 254 CG ASP A 18 38.381 -10.303 0.610 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.999 -11.346 0.910 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.949 -9.224 0.340 1.00 0.00 O ATOM 0 H ASP A 18 34.254 -10.929 2.054 1.00 0.00 H new ATOM 0 HA ASP A 18 37.018 -10.479 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.545 -11.267 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.495 -9.519 -0.028 1.00 0.00 H new ATOM 261 N ASN A 19 36.444 -7.865 1.827 1.00 0.00 N ATOM 262 CA ASN A 19 36.022 -6.481 2.011 1.00 0.00 C ATOM 263 C ASN A 19 35.287 -5.968 0.777 1.00 0.00 C ATOM 264 O ASN A 19 34.064 -5.827 0.782 1.00 0.00 O ATOM 265 CB ASN A 19 37.233 -5.592 2.304 1.00 0.00 C ATOM 266 CG ASN A 19 38.494 -6.092 1.627 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.777 -5.742 0.481 1.00 0.00 O ATOM 268 ND2 ASN A 19 39.259 -6.915 2.334 1.00 0.00 N ATOM 0 H ASN A 19 37.354 -7.973 1.380 1.00 0.00 H new ATOM 0 HA ASN A 19 35.339 -6.445 2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.023 -4.576 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 19 37.395 -5.547 3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 19 40.120 -7.284 1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 19 38.986 -7.179 3.281 1.00 0.00 H new ATOM 275 N LYS A 20 36.042 -5.690 -0.281 1.00 0.00 N ATOM 276 CA LYS A 20 35.464 -5.194 -1.525 1.00 0.00 C ATOM 277 C LYS A 20 34.589 -6.257 -2.180 1.00 0.00 C ATOM 278 O LYS A 20 33.535 -5.952 -2.739 1.00 0.00 O ATOM 279 CB LYS A 20 36.571 -4.763 -2.489 1.00 0.00 C ATOM 280 CG LYS A 20 36.132 -3.703 -3.485 1.00 0.00 C ATOM 281 CD LYS A 20 36.328 -4.169 -4.918 1.00 0.00 C ATOM 282 CE LYS A 20 37.597 -3.590 -5.524 1.00 0.00 C ATOM 283 NZ LYS A 20 38.816 -4.286 -5.027 1.00 0.00 N ATOM 0 H LYS A 20 37.056 -5.800 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 20 34.841 -4.332 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.414 -4.382 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.927 -5.637 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 20 35.082 -3.461 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.700 -2.788 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 20 36.375 -5.258 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 20 35.468 -3.872 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 20 37.550 -3.670 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 20 37.662 -2.528 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 39.660 -3.862 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 38.874 -4.188 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 38.766 -5.294 -5.277 1.00 0.00 H new ATOM 297 N LYS A 21 35.031 -7.508 -2.107 1.00 0.00 N ATOM 298 CA LYS A 21 34.288 -8.618 -2.691 1.00 0.00 C ATOM 299 C LYS A 21 32.903 -8.736 -2.063 1.00 0.00 C ATOM 300 O LYS A 21 31.926 -9.054 -2.743 1.00 0.00 O ATOM 301 CB LYS A 21 35.057 -9.928 -2.504 1.00 0.00 C ATOM 302 CG LYS A 21 36.359 -9.986 -3.283 1.00 0.00 C ATOM 303 CD LYS A 21 36.131 -9.753 -4.767 1.00 0.00 C ATOM 304 CE LYS A 21 36.368 -8.299 -5.146 1.00 0.00 C ATOM 305 NZ LYS A 21 37.488 -8.154 -6.117 1.00 0.00 N ATOM 0 H LYS A 21 35.901 -7.778 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 21 34.169 -8.422 -3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.271 -10.066 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.422 -10.759 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 21 37.049 -9.235 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.830 -10.958 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.798 -10.394 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.112 -10.037 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.457 -7.883 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.588 -7.721 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.618 -7.149 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.363 -8.528 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.267 -8.684 -6.984 1.00 0.00 H new ATOM 319 N CYS A 22 32.824 -8.475 -0.762 1.00 0.00 N ATOM 320 CA CYS A 22 31.558 -8.550 -0.042 1.00 0.00 C ATOM 321 C CYS A 22 30.591 -7.476 -0.530 1.00 0.00 C ATOM 322 O CYS A 22 29.488 -7.779 -0.987 1.00 0.00 O ATOM 323 CB CYS A 22 31.793 -8.396 1.462 1.00 0.00 C ATOM 324 SG CYS A 22 30.273 -8.473 2.463 1.00 0.00 S ATOM 0 H CYS A 22 33.622 -8.210 -0.185 1.00 0.00 H new ATOM 0 HA CYS A 22 31.115 -9.527 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.474 -9.179 1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 22 32.289 -7.443 1.646 1.00 0.00 H new ATOM 329 N ASP A 23 31.011 -6.220 -0.429 1.00 0.00 N ATOM 330 CA ASP A 23 30.183 -5.099 -0.860 1.00 0.00 C ATOM 331 C ASP A 23 29.803 -5.239 -2.331 1.00 0.00 C ATOM 332 O ASP A 23 28.650 -5.029 -2.709 1.00 0.00 O ATOM 333 CB ASP A 23 30.918 -3.777 -0.634 1.00 0.00 C ATOM 334 CG ASP A 23 29.968 -2.604 -0.490 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.741 -2.826 -0.533 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.453 -1.463 -0.336 1.00 0.00 O ATOM 0 H ASP A 23 31.920 -5.952 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 23 29.270 -5.104 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.533 -3.855 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.594 -3.593 -1.469 1.00 0.00 H new ATOM 341 N LYS A 24 30.781 -5.594 -3.158 1.00 0.00 N ATOM 342 CA LYS A 24 30.551 -5.762 -4.588 1.00 0.00 C ATOM 343 C LYS A 24 29.580 -6.909 -4.852 1.00 0.00 C ATOM 344 O LYS A 24 28.605 -6.755 -5.587 1.00 0.00 O ATOM 345 CB LYS A 24 31.874 -6.023 -5.311 1.00 0.00 C ATOM 346 CG LYS A 24 31.702 -6.438 -6.762 1.00 0.00 C ATOM 347 CD LYS A 24 33.044 -6.647 -7.445 1.00 0.00 C ATOM 348 CE LYS A 24 33.014 -7.850 -8.375 1.00 0.00 C ATOM 349 NZ LYS A 24 34.302 -8.598 -8.357 1.00 0.00 N ATOM 0 H LYS A 24 31.741 -5.771 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 24 30.111 -4.841 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.485 -5.121 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.420 -6.803 -4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 24 31.120 -7.358 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.136 -5.674 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.308 -5.754 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.819 -6.787 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.203 -8.516 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.801 -7.518 -9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.241 -9.410 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 35.073 -7.970 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.493 -8.937 -7.393 1.00 0.00 H new ATOM 363 N LYS A 25 29.853 -8.060 -4.245 1.00 0.00 N ATOM 364 CA LYS A 25 29.003 -9.233 -4.411 1.00 0.00 C ATOM 365 C LYS A 25 27.586 -8.953 -3.920 1.00 0.00 C ATOM 366 O LYS A 25 26.635 -9.622 -4.324 1.00 0.00 O ATOM 367 CB LYS A 25 29.590 -10.425 -3.653 1.00 0.00 C ATOM 368 CG LYS A 25 28.900 -11.743 -3.962 1.00 0.00 C ATOM 369 CD LYS A 25 29.903 -12.873 -4.124 1.00 0.00 C ATOM 370 CE LYS A 25 29.982 -13.345 -5.567 1.00 0.00 C ATOM 371 NZ LYS A 25 30.544 -14.721 -5.671 1.00 0.00 N ATOM 0 H LYS A 25 30.657 -8.205 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 25 28.960 -9.471 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.649 -10.513 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.524 -10.232 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.203 -11.986 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.313 -11.642 -4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.887 -12.538 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.620 -13.707 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 25 28.987 -13.325 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.601 -12.656 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 30.581 -15.006 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 31.504 -14.735 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 29.940 -15.384 -5.144 1.00 0.00 H new ATOM 385 N CYS A 26 27.453 -7.959 -3.049 1.00 0.00 N ATOM 386 CA CYS A 26 26.152 -7.588 -2.503 1.00 0.00 C ATOM 387 C CYS A 26 25.314 -6.855 -3.546 1.00 0.00 C ATOM 388 O CYS A 26 24.178 -7.238 -3.825 1.00 0.00 O ATOM 389 CB CYS A 26 26.328 -6.710 -1.263 1.00 0.00 C ATOM 390 SG CYS A 26 26.659 -7.641 0.267 1.00 0.00 S ATOM 0 H CYS A 26 28.230 -7.395 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 26 25.629 -8.502 -2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 26 27.149 -6.015 -1.437 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.428 -6.112 -1.124 1.00 0.00 H new ATOM 395 N ILE A 27 25.883 -5.799 -4.118 1.00 0.00 N ATOM 396 CA ILE A 27 25.189 -5.012 -5.130 1.00 0.00 C ATOM 397 C ILE A 27 25.189 -5.727 -6.477 1.00 0.00 C ATOM 398 O ILE A 27 24.415 -5.387 -7.371 1.00 0.00 O ATOM 399 CB ILE A 27 25.829 -3.622 -5.299 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.049 -2.968 -3.934 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.956 -2.741 -6.180 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.497 -2.638 -3.648 1.00 0.00 C ATOM 0 H ILE A 27 26.823 -5.469 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 27 24.162 -4.890 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 27 26.798 -3.741 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.459 -2.053 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.676 -3.635 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.422 -1.762 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.846 -3.203 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.974 -2.626 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.578 -2.177 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.090 -3.552 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.869 -1.946 -4.404 1.00 0.00 H new ATOM 414 N GLU A 28 26.062 -6.721 -6.613 1.00 0.00 N ATOM 415 CA GLU A 28 26.161 -7.485 -7.851 1.00 0.00 C ATOM 416 C GLU A 28 25.100 -8.580 -7.902 1.00 0.00 C ATOM 417 O GLU A 28 24.457 -8.789 -8.930 1.00 0.00 O ATOM 418 CB GLU A 28 27.555 -8.102 -7.985 1.00 0.00 C ATOM 419 CG GLU A 28 28.605 -7.130 -8.495 1.00 0.00 C ATOM 420 CD GLU A 28 29.057 -7.448 -9.907 1.00 0.00 C ATOM 421 OE1 GLU A 28 28.200 -7.821 -10.735 1.00 0.00 O ATOM 422 OE2 GLU A 28 30.269 -7.323 -10.184 1.00 0.00 O ATOM 0 H GLU A 28 26.710 -7.015 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 28 25.992 -6.802 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.868 -8.485 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.502 -8.955 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.202 -6.118 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.467 -7.150 -7.828 1.00 0.00 H new ATOM 429 N TRP A 29 24.924 -9.276 -6.785 1.00 0.00 N ATOM 430 CA TRP A 29 23.942 -10.351 -6.701 1.00 0.00 C ATOM 431 C TRP A 29 22.706 -9.900 -5.930 1.00 0.00 C ATOM 432 O TRP A 29 21.581 -10.044 -6.407 1.00 0.00 O ATOM 433 CB TRP A 29 24.556 -11.580 -6.030 1.00 0.00 C ATOM 434 CG TRP A 29 25.568 -12.281 -6.885 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.573 -11.702 -7.606 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.672 -13.691 -7.110 1.00 0.00 C ATOM 437 NE1 TRP A 29 27.295 -12.667 -8.266 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.763 -13.896 -7.977 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.951 -14.801 -6.661 1.00 0.00 C ATOM 440 CZ2 TRP A 29 27.147 -15.164 -8.403 1.00 0.00 C ATOM 441 CZ3 TRP A 29 25.333 -16.059 -7.085 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.423 -16.233 -7.948 1.00 0.00 C ATOM 0 H TRP A 29 25.448 -9.115 -5.925 1.00 0.00 H new ATOM 0 HA TRP A 29 23.640 -10.613 -7.715 1.00 0.00 H new ATOM 0 HB2 TRP A 29 25.028 -11.277 -5.096 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.761 -12.280 -5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.771 -10.641 -7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 29 28.097 -12.496 -8.873 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.110 -14.677 -5.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.986 -15.300 -9.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 24.782 -16.923 -6.745 1.00 0.00 H new ATOM 0 HH2 TRP A 29 26.697 -17.230 -8.260 1.00 0.00 H new ATOM 453 N GLU A 30 22.924 -9.355 -4.738 1.00 0.00 N ATOM 454 CA GLU A 30 21.825 -8.883 -3.902 1.00 0.00 C ATOM 455 C GLU A 30 21.394 -7.478 -4.312 1.00 0.00 C ATOM 456 O GLU A 30 20.435 -6.928 -3.770 1.00 0.00 O ATOM 457 CB GLU A 30 22.236 -8.893 -2.428 1.00 0.00 C ATOM 458 CG GLU A 30 22.773 -10.234 -1.955 1.00 0.00 C ATOM 459 CD GLU A 30 23.792 -10.093 -0.841 1.00 0.00 C ATOM 460 OE1 GLU A 30 23.399 -9.699 0.276 1.00 0.00 O ATOM 461 OE2 GLU A 30 24.983 -10.378 -1.087 1.00 0.00 O ATOM 0 H GLU A 30 23.850 -9.229 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 30 20.981 -9.558 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.997 -8.129 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.375 -8.620 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 30 21.944 -10.851 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 30 23.229 -10.756 -2.796 1.00 0.00 H new ATOM 468 N LYS A 31 22.110 -6.902 -5.272 1.00 0.00 N ATOM 469 CA LYS A 31 21.803 -5.562 -5.757 1.00 0.00 C ATOM 470 C LYS A 31 21.516 -4.616 -4.595 1.00 0.00 C ATOM 471 O LYS A 31 20.680 -3.720 -4.704 1.00 0.00 O ATOM 472 CB LYS A 31 20.601 -5.603 -6.704 1.00 0.00 C ATOM 473 CG LYS A 31 20.659 -6.737 -7.712 1.00 0.00 C ATOM 474 CD LYS A 31 21.980 -6.748 -8.463 1.00 0.00 C ATOM 475 CE LYS A 31 22.201 -5.448 -9.221 1.00 0.00 C ATOM 476 NZ LYS A 31 21.044 -5.114 -10.098 1.00 0.00 N ATOM 0 H LYS A 31 22.908 -7.343 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 31 22.672 -5.190 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.689 -5.698 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.538 -4.655 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.523 -7.689 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.837 -6.637 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.798 -6.904 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.996 -7.585 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.365 -4.637 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 31 23.104 -5.529 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.309 -4.343 -10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.775 -5.952 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.239 -4.813 -9.512 1.00 0.00 H new ATOM 490 N ALA A 32 22.217 -4.820 -3.485 1.00 0.00 N ATOM 491 CA ALA A 32 22.040 -3.983 -2.305 1.00 0.00 C ATOM 492 C ALA A 32 22.771 -2.654 -2.460 1.00 0.00 C ATOM 493 O ALA A 32 23.247 -2.321 -3.545 1.00 0.00 O ATOM 494 CB ALA A 32 22.527 -4.713 -1.062 1.00 0.00 C ATOM 0 H ALA A 32 22.913 -5.558 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 32 20.976 -3.772 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.389 -4.076 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.957 -5.633 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.584 -4.953 -1.172 1.00 0.00 H new ATOM 500 N GLN A 33 22.855 -1.899 -1.370 1.00 0.00 N ATOM 501 CA GLN A 33 23.526 -0.605 -1.387 1.00 0.00 C ATOM 502 C GLN A 33 24.864 -0.676 -0.658 1.00 0.00 C ATOM 503 O GLN A 33 25.880 -0.188 -1.154 1.00 0.00 O ATOM 504 CB GLN A 33 22.639 0.463 -0.745 1.00 0.00 C ATOM 505 CG GLN A 33 22.135 1.507 -1.728 1.00 0.00 C ATOM 506 CD GLN A 33 23.140 2.617 -1.966 1.00 0.00 C ATOM 507 OE1 GLN A 33 24.200 2.395 -2.551 1.00 0.00 O ATOM 508 NE2 GLN A 33 22.811 3.821 -1.513 1.00 0.00 N ATOM 0 H GLN A 33 22.467 -2.161 -0.464 1.00 0.00 H new ATOM 0 HA GLN A 33 23.712 -0.335 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.784 -0.022 -0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.199 0.961 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.901 1.024 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.207 1.937 -1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.922 3.960 -1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.448 4.607 -1.645 1.00 0.00 H new ATOM 517 N HIS A 34 24.858 -1.287 0.522 1.00 0.00 N ATOM 518 CA HIS A 34 26.072 -1.423 1.320 1.00 0.00 C ATOM 519 C HIS A 34 26.178 -2.825 1.913 1.00 0.00 C ATOM 520 O HIS A 34 25.195 -3.378 2.404 1.00 0.00 O ATOM 521 CB HIS A 34 26.091 -0.381 2.438 1.00 0.00 C ATOM 522 CG HIS A 34 27.471 0.052 2.829 1.00 0.00 C ATOM 523 ND1 HIS A 34 27.723 0.897 3.890 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.678 -0.250 2.296 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.024 1.097 3.991 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.627 0.412 3.035 1.00 0.00 N ATOM 0 H HIS A 34 24.026 -1.696 0.947 1.00 0.00 H new ATOM 0 HA HIS A 34 26.928 -1.259 0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.522 0.492 2.120 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.585 -0.789 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.861 -0.892 1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 34 29.513 1.715 4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.634 0.380 2.873 1.00 0.00 H new ATOM 534 N GLY A 35 27.379 -3.394 1.863 1.00 0.00 N ATOM 535 CA GLY A 35 27.591 -4.726 2.398 1.00 0.00 C ATOM 536 C GLY A 35 28.798 -4.798 3.312 1.00 0.00 C ATOM 537 O GLY A 35 29.791 -4.105 3.096 1.00 0.00 O ATOM 0 H GLY A 35 28.208 -2.956 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.703 -5.039 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.720 -5.429 1.575 1.00 0.00 H new ATOM 541 N ALA A 36 28.711 -5.638 4.339 1.00 0.00 N ATOM 542 CA ALA A 36 29.804 -5.798 5.290 1.00 0.00 C ATOM 543 C ALA A 36 30.070 -7.272 5.577 1.00 0.00 C ATOM 544 O ALA A 36 29.224 -8.128 5.319 1.00 0.00 O ATOM 545 CB ALA A 36 29.494 -5.054 6.580 1.00 0.00 C ATOM 0 H ALA A 36 27.895 -6.218 4.533 1.00 0.00 H new ATOM 0 HA ALA A 36 30.704 -5.373 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.319 -5.182 7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.361 -3.994 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.579 -5.452 7.019 1.00 0.00 H new ATOM 551 N CYS A 37 31.252 -7.561 6.111 1.00 0.00 N ATOM 552 CA CYS A 37 31.631 -8.932 6.432 1.00 0.00 C ATOM 553 C CYS A 37 31.953 -9.073 7.917 1.00 0.00 C ATOM 554 O CYS A 37 32.417 -8.128 8.556 1.00 0.00 O ATOM 555 CB CYS A 37 32.838 -9.359 5.594 1.00 0.00 C ATOM 556 SG CYS A 37 33.238 -11.132 5.718 1.00 0.00 S ATOM 0 H CYS A 37 31.964 -6.864 6.331 1.00 0.00 H new ATOM 0 HA CYS A 37 30.787 -9.581 6.198 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.647 -9.112 4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.707 -8.779 5.905 1.00 0.00 H new ATOM 561 N HIS A 38 31.705 -10.260 8.461 1.00 0.00 N ATOM 562 CA HIS A 38 31.969 -10.526 9.870 1.00 0.00 C ATOM 563 C HIS A 38 32.283 -12.003 10.095 1.00 0.00 C ATOM 564 O HIS A 38 31.910 -12.857 9.291 1.00 0.00 O ATOM 565 CB HIS A 38 30.770 -10.112 10.723 1.00 0.00 C ATOM 566 CG HIS A 38 31.028 -10.188 12.197 1.00 0.00 C ATOM 567 ND1 HIS A 38 32.070 -9.527 12.813 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.371 -10.849 13.178 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.043 -9.781 14.109 1.00 0.00 C ATOM 570 NE2 HIS A 38 31.022 -10.581 14.357 1.00 0.00 N ATOM 0 H HIS A 38 31.321 -11.053 7.947 1.00 0.00 H new ATOM 0 HA HIS A 38 32.837 -9.938 10.168 1.00 0.00 H new ATOM 0 HB2 HIS A 38 30.486 -9.092 10.464 1.00 0.00 H new ATOM 0 HB3 HIS A 38 29.922 -10.751 10.478 1.00 0.00 H new ATOM 0 HD2 HIS A 38 29.497 -11.472 13.056 1.00 0.00 H new ATOM 0 HE1 HIS A 38 32.738 -9.399 14.842 1.00 0.00 H new ATOM 0 HE2 HIS A 38 30.760 -10.941 15.275 1.00 0.00 H new ATOM 578 N LYS A 39 32.970 -12.296 11.194 1.00 0.00 N ATOM 579 CA LYS A 39 33.334 -13.668 11.526 1.00 0.00 C ATOM 580 C LYS A 39 32.341 -14.270 12.514 1.00 0.00 C ATOM 581 O LYS A 39 32.087 -13.703 13.577 1.00 0.00 O ATOM 582 CB LYS A 39 34.747 -13.715 12.113 1.00 0.00 C ATOM 583 CG LYS A 39 34.903 -12.903 13.387 1.00 0.00 C ATOM 584 CD LYS A 39 34.832 -13.785 14.622 1.00 0.00 C ATOM 585 CE LYS A 39 36.204 -14.316 15.008 1.00 0.00 C ATOM 586 NZ LYS A 39 36.204 -15.798 15.155 1.00 0.00 N ATOM 0 H LYS A 39 33.286 -11.601 11.870 1.00 0.00 H new ATOM 0 HA LYS A 39 33.309 -14.256 10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.012 -14.752 12.318 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.453 -13.347 11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 39 35.857 -12.376 13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.121 -12.145 13.435 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.414 -13.216 15.453 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.157 -14.620 14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 39 36.932 -14.026 14.250 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.520 -13.858 15.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 37.157 -16.121 15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 35.528 -16.073 15.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 35.927 -16.236 14.253 1.00 0.00 H new ATOM 600 N ARG A 40 31.783 -15.423 12.158 1.00 0.00 N ATOM 601 CA ARG A 40 30.818 -16.102 13.015 1.00 0.00 C ATOM 602 C ARG A 40 31.011 -17.614 12.959 1.00 0.00 C ATOM 603 O ARG A 40 31.819 -18.118 12.179 1.00 0.00 O ATOM 604 CB ARG A 40 29.391 -15.743 12.595 1.00 0.00 C ATOM 605 CG ARG A 40 29.027 -14.291 12.854 1.00 0.00 C ATOM 606 CD ARG A 40 28.408 -14.108 14.231 1.00 0.00 C ATOM 607 NE ARG A 40 26.970 -13.862 14.156 1.00 0.00 N ATOM 608 CZ ARG A 40 26.254 -13.380 15.166 1.00 0.00 C ATOM 609 NH1 ARG A 40 26.839 -13.093 16.320 1.00 0.00 N ATOM 610 NH2 ARG A 40 24.950 -13.183 15.021 1.00 0.00 N ATOM 0 H ARG A 40 31.983 -15.906 11.282 1.00 0.00 H new ATOM 0 HA ARG A 40 30.983 -15.770 14.040 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.270 -15.955 11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 40 28.691 -16.385 13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.919 -13.671 12.770 1.00 0.00 H new ATOM 0 HG3 ARG A 40 28.328 -13.949 12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.593 -14.998 14.833 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.893 -13.274 14.738 1.00 0.00 H new ATOM 0 HE ARG A 40 26.490 -14.072 13.281 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.842 -13.242 16.435 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.287 -12.723 17.094 1.00 0.00 H new ATOM 0 HH21 ARG A 40 24.497 -13.402 14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 40 24.401 -12.813 15.797 1.00 0.00 H new ATOM 624 N GLU A 41 30.265 -18.332 13.793 1.00 0.00 N ATOM 625 CA GLU A 41 30.357 -19.787 13.839 1.00 0.00 C ATOM 626 C GLU A 41 31.798 -20.235 14.066 1.00 0.00 C ATOM 627 O GLU A 41 32.683 -19.414 14.304 1.00 0.00 O ATOM 628 CB GLU A 41 29.821 -20.395 12.541 1.00 0.00 C ATOM 629 CG GLU A 41 28.366 -20.053 12.264 1.00 0.00 C ATOM 630 CD GLU A 41 28.190 -18.647 11.724 1.00 0.00 C ATOM 631 OE1 GLU A 41 29.090 -18.172 11.001 1.00 0.00 O ATOM 632 OE2 GLU A 41 27.151 -18.023 12.025 1.00 0.00 O ATOM 0 H GLU A 41 29.591 -17.931 14.445 1.00 0.00 H new ATOM 0 HA GLU A 41 29.750 -20.137 14.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 30.432 -20.048 11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 41 29.929 -21.479 12.586 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.959 -20.767 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.790 -20.160 13.183 1.00 0.00 H new ATOM 639 N ALA A 42 32.023 -21.542 13.991 1.00 0.00 N ATOM 640 CA ALA A 42 33.356 -22.100 14.187 1.00 0.00 C ATOM 641 C ALA A 42 34.381 -21.395 13.306 1.00 0.00 C ATOM 642 O ALA A 42 35.520 -21.175 13.716 1.00 0.00 O ATOM 643 CB ALA A 42 33.350 -23.594 13.901 1.00 0.00 C ATOM 0 H ALA A 42 31.300 -22.235 13.796 1.00 0.00 H new ATOM 0 HA ALA A 42 33.640 -21.942 15.227 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.351 -23.997 14.051 1.00 0.00 H new ATOM 0 HB2 ALA A 42 32.654 -24.091 14.576 1.00 0.00 H new ATOM 0 HB3 ALA A 42 33.041 -23.766 12.870 1.00 0.00 H new ATOM 649 N GLY A 43 33.969 -21.042 12.092 1.00 0.00 N ATOM 650 CA GLY A 43 34.864 -20.366 11.172 1.00 0.00 C ATOM 651 C GLY A 43 34.169 -19.940 9.894 1.00 0.00 C ATOM 652 O GLY A 43 34.761 -19.973 8.815 1.00 0.00 O ATOM 0 H GLY A 43 33.031 -21.212 11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.288 -19.489 11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.695 -21.027 10.927 1.00 0.00 H new ATOM 656 N LYS A 44 32.908 -19.540 10.014 1.00 0.00 N ATOM 657 CA LYS A 44 32.129 -19.106 8.860 1.00 0.00 C ATOM 658 C LYS A 44 31.892 -17.600 8.898 1.00 0.00 C ATOM 659 O LYS A 44 31.323 -17.077 9.856 1.00 0.00 O ATOM 660 CB LYS A 44 30.789 -19.843 8.816 1.00 0.00 C ATOM 661 CG LYS A 44 30.924 -21.337 8.578 1.00 0.00 C ATOM 662 CD LYS A 44 31.048 -22.101 9.886 1.00 0.00 C ATOM 663 CE LYS A 44 29.717 -22.703 10.309 1.00 0.00 C ATOM 664 NZ LYS A 44 29.342 -23.870 9.464 1.00 0.00 N ATOM 0 H LYS A 44 32.403 -19.507 10.900 1.00 0.00 H new ATOM 0 HA LYS A 44 32.697 -19.344 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.263 -19.680 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.173 -19.412 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.057 -21.698 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.800 -21.530 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 44 31.788 -22.893 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 44 31.410 -21.432 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.774 -23.014 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.938 -21.943 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.578 -24.403 9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 29.016 -23.535 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.169 -24.488 9.339 1.00 0.00 H new ATOM 678 N GLU A 45 32.332 -16.909 7.851 1.00 0.00 N ATOM 679 CA GLU A 45 32.166 -15.462 7.767 1.00 0.00 C ATOM 680 C GLU A 45 30.819 -15.104 7.145 1.00 0.00 C ATOM 681 O GLU A 45 30.464 -15.605 6.078 1.00 0.00 O ATOM 682 CB GLU A 45 33.300 -14.844 6.946 1.00 0.00 C ATOM 683 CG GLU A 45 34.343 -14.130 7.790 1.00 0.00 C ATOM 684 CD GLU A 45 35.690 -14.042 7.100 1.00 0.00 C ATOM 685 OE1 GLU A 45 36.103 -15.040 6.474 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.332 -12.974 7.187 1.00 0.00 O ATOM 0 H GLU A 45 32.806 -17.327 7.050 1.00 0.00 H new ATOM 0 HA GLU A 45 32.198 -15.058 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.788 -15.629 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.877 -14.138 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.991 -13.125 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.458 -14.654 8.739 1.00 0.00 H new ATOM 693 N SER A 46 30.075 -14.235 7.821 1.00 0.00 N ATOM 694 CA SER A 46 28.765 -13.813 7.338 1.00 0.00 C ATOM 695 C SER A 46 28.819 -12.388 6.797 1.00 0.00 C ATOM 696 O SER A 46 29.403 -11.498 7.416 1.00 0.00 O ATOM 697 CB SER A 46 27.730 -13.905 8.461 1.00 0.00 C ATOM 698 OG SER A 46 27.907 -15.087 9.222 1.00 0.00 O ATOM 0 H SER A 46 30.356 -13.809 8.704 1.00 0.00 H new ATOM 0 HA SER A 46 28.472 -14.480 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.816 -13.034 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.726 -13.889 8.037 1.00 0.00 H new ATOM 0 HG SER A 46 27.235 -15.121 9.934 1.00 0.00 H new ATOM 704 N CYS A 47 28.206 -12.179 5.637 1.00 0.00 N ATOM 705 CA CYS A 47 28.183 -10.863 5.009 1.00 0.00 C ATOM 706 C CYS A 47 26.771 -10.285 5.009 1.00 0.00 C ATOM 707 O CYS A 47 25.862 -10.839 4.391 1.00 0.00 O ATOM 708 CB CYS A 47 28.711 -10.949 3.576 1.00 0.00 C ATOM 709 SG CYS A 47 30.366 -10.221 3.348 1.00 0.00 S ATOM 0 H CYS A 47 27.718 -12.905 5.112 1.00 0.00 H new ATOM 0 HA CYS A 47 28.828 -10.201 5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.742 -11.996 3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 47 28.010 -10.445 2.911 1.00 0.00 H new ATOM 714 N PHE A 48 26.595 -9.167 5.706 1.00 0.00 N ATOM 715 CA PHE A 48 25.294 -8.513 5.787 1.00 0.00 C ATOM 716 C PHE A 48 25.287 -7.215 4.985 1.00 0.00 C ATOM 717 O PHE A 48 26.202 -6.398 5.095 1.00 0.00 O ATOM 718 CB PHE A 48 24.934 -8.227 7.246 1.00 0.00 C ATOM 719 CG PHE A 48 26.063 -7.629 8.036 1.00 0.00 C ATOM 720 CD1 PHE A 48 26.249 -6.257 8.074 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.938 -8.440 8.740 1.00 0.00 C ATOM 722 CE1 PHE A 48 27.287 -5.703 8.800 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.977 -7.892 9.468 1.00 0.00 C ATOM 724 CZ PHE A 48 28.153 -6.523 9.498 1.00 0.00 C ATOM 0 H PHE A 48 27.337 -8.695 6.223 1.00 0.00 H new ATOM 0 HA PHE A 48 24.549 -9.186 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.081 -7.549 7.275 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.619 -9.155 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 48 25.575 -5.612 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.807 -9.512 8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.421 -4.632 8.822 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.652 -8.535 10.014 1.00 0.00 H new ATOM 0 HZ PHE A 48 28.966 -6.094 10.066 1.00 0.00 H new ATOM 734 N CYS A 49 24.247 -7.032 4.177 1.00 0.00 N ATOM 735 CA CYS A 49 24.119 -5.834 3.355 1.00 0.00 C ATOM 736 C CYS A 49 22.767 -5.163 3.580 1.00 0.00 C ATOM 737 O CYS A 49 21.770 -5.829 3.859 1.00 0.00 O ATOM 738 CB CYS A 49 24.287 -6.186 1.876 1.00 0.00 C ATOM 739 SG CYS A 49 25.312 -7.661 1.573 1.00 0.00 S ATOM 0 H CYS A 49 23.481 -7.698 4.074 1.00 0.00 H new ATOM 0 HA CYS A 49 24.904 -5.136 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.302 -6.345 1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.732 -5.335 1.360 1.00 0.00 H new ATOM 744 N TYR A 50 22.742 -3.841 3.455 1.00 0.00 N ATOM 745 CA TYR A 50 21.514 -3.078 3.646 1.00 0.00 C ATOM 746 C TYR A 50 21.148 -2.310 2.380 1.00 0.00 C ATOM 747 O TYR A 50 22.001 -1.684 1.750 1.00 0.00 O ATOM 748 CB TYR A 50 21.669 -2.108 4.819 1.00 0.00 C ATOM 749 CG TYR A 50 22.089 -2.778 6.107 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.143 -3.272 6.997 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.432 -2.916 6.436 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.523 -3.884 8.176 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.821 -3.528 7.611 1.00 0.00 C ATOM 754 CZ TYR A 50 22.863 -4.010 8.478 1.00 0.00 C ATOM 755 OH TYR A 50 23.246 -4.619 9.651 1.00 0.00 O ATOM 0 H TYR A 50 23.558 -3.275 3.222 1.00 0.00 H new ATOM 0 HA TYR A 50 20.710 -3.780 3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.406 -1.349 4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.723 -1.591 4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.093 -3.176 6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.185 -2.538 5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 50 20.775 -4.262 8.857 1.00 0.00 H new ATOM 0 HE2 TYR A 50 24.869 -3.629 7.850 1.00 0.00 H new ATOM 0 HH TYR A 50 24.224 -4.628 9.711 1.00 0.00 H new ATOM 765 N PHE A 51 19.871 -2.361 2.014 1.00 0.00 N ATOM 766 CA PHE A 51 19.390 -1.670 0.823 1.00 0.00 C ATOM 767 C PHE A 51 17.935 -1.242 0.994 1.00 0.00 C ATOM 768 O PHE A 51 17.121 -1.979 1.551 1.00 0.00 O ATOM 769 CB PHE A 51 19.527 -2.571 -0.406 1.00 0.00 C ATOM 770 CG PHE A 51 18.703 -2.118 -1.577 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.035 -0.964 -2.269 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.597 -2.845 -1.987 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.278 -0.544 -3.346 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.837 -2.430 -3.064 1.00 0.00 C ATOM 775 CZ PHE A 51 17.178 -1.279 -3.745 1.00 0.00 C ATOM 0 H PHE A 51 19.152 -2.873 2.524 1.00 0.00 H new ATOM 0 HA PHE A 51 19.999 -0.778 0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.575 -2.610 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.234 -3.586 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 51 19.895 -0.387 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.326 -3.747 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.546 0.358 -3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.977 -3.006 -3.373 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.586 -0.953 -4.588 1.00 0.00 H new ATOM 785 N ASP A 52 17.616 -0.046 0.511 1.00 0.00 N ATOM 786 CA ASP A 52 16.260 0.482 0.609 1.00 0.00 C ATOM 787 C ASP A 52 15.317 -0.266 -0.328 1.00 0.00 C ATOM 788 O ASP A 52 15.556 -0.343 -1.534 1.00 0.00 O ATOM 789 CB ASP A 52 16.247 1.976 0.282 1.00 0.00 C ATOM 790 CG ASP A 52 17.084 2.309 -0.937 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.575 2.156 -2.066 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.250 2.722 -0.761 1.00 0.00 O ATOM 0 H ASP A 52 18.278 0.576 0.048 1.00 0.00 H new ATOM 0 HA ASP A 52 15.914 0.340 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.220 2.299 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.620 2.536 1.139 1.00 0.00 H new ATOM 797 N CYS A 53 14.246 -0.816 0.233 1.00 0.00 N ATOM 798 CA CYS A 53 13.267 -1.559 -0.551 1.00 0.00 C ATOM 799 C CYS A 53 11.925 -0.834 -0.574 1.00 0.00 C ATOM 800 O CYS A 53 11.577 -0.120 0.367 1.00 0.00 O ATOM 801 CB CYS A 53 13.089 -2.968 0.020 1.00 0.00 C ATOM 802 SG CYS A 53 12.738 -3.007 1.807 1.00 0.00 S ATOM 0 H CYS A 53 14.034 -0.761 1.229 1.00 0.00 H new ATOM 0 HA CYS A 53 13.637 -1.633 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.275 -3.463 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.994 -3.544 -0.174 1.00 0.00 H new ATOM 807 N SER A 54 11.175 -1.023 -1.655 1.00 0.00 N ATOM 808 CA SER A 54 9.872 -0.385 -1.802 1.00 0.00 C ATOM 809 C SER A 54 10.020 1.129 -1.924 1.00 0.00 C ATOM 810 O SER A 54 9.885 1.692 -3.011 1.00 0.00 O ATOM 811 CB SER A 54 8.975 -0.727 -0.611 1.00 0.00 C ATOM 812 OG SER A 54 8.727 -2.120 -0.543 1.00 0.00 O ATOM 0 H SER A 54 11.447 -1.613 -2.442 1.00 0.00 H new ATOM 0 HA SER A 54 9.411 -0.763 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.448 -0.393 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.030 -0.190 -0.697 1.00 0.00 H new ATOM 0 HG SER A 54 8.153 -2.313 0.227 1.00 0.00 H new ATOM 818 N LYS A 55 10.297 1.782 -0.801 1.00 0.00 N ATOM 819 CA LYS A 55 10.465 3.230 -0.779 1.00 0.00 C ATOM 820 C LYS A 55 11.490 3.644 0.272 1.00 0.00 C ATOM 821 O LYS A 55 12.317 4.523 0.033 1.00 0.00 O ATOM 822 CB LYS A 55 9.125 3.915 -0.498 1.00 0.00 C ATOM 823 CG LYS A 55 8.738 4.948 -1.543 1.00 0.00 C ATOM 824 CD LYS A 55 7.691 4.406 -2.500 1.00 0.00 C ATOM 825 CE LYS A 55 8.144 4.524 -3.947 1.00 0.00 C ATOM 826 NZ LYS A 55 6.991 4.628 -4.883 1.00 0.00 N ATOM 0 H LYS A 55 10.410 1.331 0.107 1.00 0.00 H new ATOM 0 HA LYS A 55 10.829 3.543 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.344 3.157 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.171 4.398 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.354 5.840 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.623 5.250 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.488 3.361 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.756 4.950 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.781 5.401 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.748 3.656 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.342 4.707 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.396 3.779 -4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.428 5.471 -4.648 1.00 0.00 H new